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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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8695 |
1mph ![]() ![]() |
cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT3 MET 1 -7.505 -13.691 -14.815 2 2H MET 1 HT2 MET 1 -8.056 -14.870 -15.918 3 3H MET 1 HT1 MET 1 -6.780 -13.823 -16.346 4 HA MET 1 HA MET 1 -8.205 -12.416 -17.205 5 1HB MET 1 HB2 MET 1 -9.969 -14.638 -16.440 6 2HB MET 1 HB1 MET 1 -10.805 -13.092 -16.540 7 1HG MET 1 HG2 MET 1 -10.881 -14.212 -18.688 8 2HG MET 1 HG1 MET 1 -9.921 -12.744 -18.796 9 1HE MET 1 HE2 MET 1 -10.194 -16.366 -19.578 10 2HE MET 1 HE1 MET 1 -8.564 -17.040 -19.484 11 3HE MET 1 HE3 MET 1 -9.451 -16.650 -18.002 12 H GLU 2 HN GLU 2 -7.288 -10.919 -15.684 13 HA GLU 2 HA GLU 2 -9.304 -9.804 -13.824 14 1HB GLU 2 HB2 GLU 2 -6.351 -9.936 -13.169 15 2HB GLU 2 HB1 GLU 2 -7.657 -9.381 -12.132 16 1HG GLU 2 HG2 GLU 2 -7.508 -11.460 -11.248 17 2HG GLU 2 HG1 GLU 2 -8.512 -11.904 -12.622 18 H GLY 3 HN GLY 3 -8.999 -7.504 -13.437 19 1HA GLY 3 HA2 GLY 3 -7.073 -5.831 -14.461 20 2HA GLY 3 HA1 GLY 3 -8.188 -6.079 -15.802 21 H PHE 4 HN PHE 4 -7.980 -3.579 -15.049 22 HA PHE 4 HA PHE 4 -9.878 -2.836 -12.975 23 1HB PHE 4 HB2 PHE 4 -8.093 -1.335 -14.856 24 2HB PHE 4 HB1 PHE 4 -9.405 -0.494 -14.044 25 HD1 PHE 4 HD1 PHE 4 -9.549 -0.727 -11.488 26 HD2 PHE 4 HD2 PHE 4 -6.043 -1.630 -13.754 27 HE1 PHE 4 HE1 PHE 4 -8.172 -0.485 -9.466 28 HE2 PHE 4 HE2 PHE 4 -4.669 -1.386 -11.728 29 HZ PHE 4 HZ PHE 4 -5.736 -0.811 -9.578 30 H LEU 5 HN LEU 5 -11.829 -1.836 -13.271 31 HA LEU 5 HA LEU 5 -12.969 -1.485 -15.937 32 1HB LEU 5 HB2 LEU 5 -13.617 -3.767 -14.164 33 2HB LEU 5 HB1 LEU 5 -15.016 -2.882 -14.750 34 HG LEU 5 HG LEU 5 -12.859 -4.064 -16.498 35 1HD1 LEU 5 HD11 LEU 5 -15.593 -5.037 -15.716 36 2HD1 LEU 5 HD13 LEU 5 -14.784 -5.593 -17.182 37 3HD1 LEU 5 HD12 LEU 5 -14.051 -5.883 -15.603 38 1HD2 LEU 5 HD23 LEU 5 -15.270 -2.399 -17.057 39 2HD2 LEU 5 HD22 LEU 5 -13.678 -2.369 -17.816 40 3HD2 LEU 5 HD21 LEU 5 -14.818 -3.655 -18.212 41 H ASN 6 HN ASN 6 -14.734 -0.093 -15.924 42 HA ASN 6 HA ASN 6 -15.174 1.472 -13.469 43 1HB ASN 6 HB2 ASN 6 -15.230 2.046 -16.271 44 2HB ASN 6 HB1 ASN 6 -16.858 2.292 -15.659 45 1HD2 ASN 6 HD22 ASN 6 -14.184 5.134 -15.079 46 2HD2 ASN 6 HD21 ASN 6 -14.083 3.866 -16.262 47 H ARG 7 HN ARG 7 -16.836 1.010 -12.137 48 HA ARG 7 HA ARG 7 -19.001 -0.747 -13.157 49 1HB ARG 7 HB2 ARG 7 -17.449 -1.851 -11.604 50 2HB ARG 7 HB1 ARG 7 -17.801 -0.631 -10.383 51 1HG ARG 7 HG2 ARG 7 -20.080 -1.359 -10.196 52 2HG ARG 7 HG1 ARG 7 -19.929 -2.387 -11.623 53 1HD ARG 7 HD2 ARG 7 -18.701 -4.006 -10.498 54 2HD ARG 7 HD1 ARG 7 -18.128 -2.872 -9.273 55 HE ARG 7 HE ARG 7 -20.952 -3.810 -9.374 56 1HH1 ARG 7 HH21 ARG 7 -20.609 -1.813 -7.292 57 2HH1 ARG 7 HH22 ARG 7 -20.127 -2.732 -5.896 58 1HH2 ARG 7 HH11 ARG 7 -19.171 -5.567 -7.744 59 2HH2 ARG 7 HH12 ARG 7 -19.286 -4.887 -6.144 60 H LYS 8 HN LYS 8 -20.977 -0.024 -13.045 61 HA LYS 8 HA LYS 8 -21.718 2.114 -11.127 62 1HB LYS 8 HB2 LYS 8 -21.631 2.666 -13.697 63 2HB LYS 8 HB1 LYS 8 -23.131 1.765 -13.752 64 1HG LYS 8 HG2 LYS 8 -23.343 3.557 -11.564 65 2HG LYS 8 HG1 LYS 8 -22.690 4.480 -12.911 66 1HD LYS 8 HD2 LYS 8 -24.935 4.707 -13.361 67 2HD LYS 8 HD1 LYS 8 -24.615 3.226 -14.249 68 1HE LYS 8 HE2 LYS 8 -25.577 1.868 -12.576 69 2HE LYS 8 HE1 LYS 8 -25.507 3.151 -11.371 70 1HZ LYS 8 HZ1 LYS 8 -27.075 4.255 -13.241 71 2HZ LYS 8 HZ3 LYS 8 -27.501 2.612 -13.389 72 3HZ LYS 8 HZ2 LYS 8 -27.647 3.397 -11.877 73 H HIS 9 HN HIS 9 -23.230 1.422 -9.738 74 HA HIS 9 HA HIS 9 -24.545 -1.132 -10.193 75 1HB HIS 9 HB2 HIS 9 -25.434 -0.707 -7.833 76 2HB HIS 9 HB1 HIS 9 -23.724 -1.020 -8.033 77 HD1 HIS 9 HD1 HIS 9 -23.790 0.132 -5.580 78 HD2 HIS 9 HD2 HIS 9 -24.317 2.669 -8.819 79 HE1 HIS 9 HE1 HIS 9 -23.286 2.429 -4.710 80 H GLU 10 HN GLU 10 -26.318 -1.220 -11.322 81 HA GLU 10 HA GLU 10 -28.144 1.007 -11.633 82 1HB GLU 10 HB2 GLU 10 -27.562 -0.820 -13.383 83 2HB GLU 10 HB1 GLU 10 -28.666 -1.846 -12.476 84 1HG GLU 10 HG2 GLU 10 -29.984 -0.933 -14.203 85 2HG GLU 10 HG1 GLU 10 -30.411 -0.001 -12.772 86 H TRP 11 HN TRP 11 -28.060 -2.072 -9.970 87 HA TRP 11 HA TRP 11 -30.096 -1.191 -8.083 88 1HB TRP 11 HB2 TRP 11 -31.390 -2.390 -9.824 89 2HB TRP 11 HB1 TRP 11 -30.355 -3.796 -9.621 90 HD1 TRP 11 HD1 TRP 11 -33.165 -1.869 -7.808 91 HE1 TRP 11 HE1 TRP 11 -34.103 -3.379 -5.976 92 HE3 TRP 11 HE3 TRP 11 -29.827 -5.727 -8.080 93 HZ2 TRP 11 HZ2 TRP 11 -33.534 -5.862 -4.784 94 HZ3 TRP 11 HZ3 TRP 11 -30.073 -7.639 -6.537 95 HH2 TRP 11 HH2 TRP 11 -31.911 -7.706 -4.908 96 H GLU 12 HN GLU 12 -29.117 -1.442 -6.214 97 HA GLU 12 HA GLU 12 -27.916 -3.908 -5.359 98 1HB GLU 12 HB2 GLU 12 -26.075 -2.864 -6.716 99 2HB GLU 12 HB1 GLU 12 -26.109 -1.485 -5.622 100 1HG GLU 12 HG2 GLU 12 -25.647 -3.129 -3.733 101 2HG GLU 12 HG1 GLU 12 -25.380 -4.346 -4.978 102 H ALA 13 HN ALA 13 -29.872 -3.250 -4.020 103 HA ALA 13 HA ALA 13 -29.420 -2.827 -1.432 104 1HB ALA 13 HB3 ALA 13 -29.447 -0.118 -2.754 105 2HB ALA 13 HB2 ALA 13 -29.937 -0.327 -1.075 106 3HB ALA 13 HB1 ALA 13 -28.311 -0.762 -1.567 107 H HIS 14 HN HIS 14 -31.330 -3.993 -3.061 108 HA HIS 14 HA HIS 14 -33.540 -4.532 -3.136 109 1HB HIS 14 HB2 HIS 14 -33.738 -2.759 -0.699 110 2HB HIS 14 HB1 HIS 14 -34.976 -3.873 -1.250 111 HD1 HIS 14 HD1 HIS 14 -32.322 -3.691 1.082 112 HD2 HIS 14 HD2 HIS 14 -33.790 -6.684 -1.373 113 HE1 HIS 14 HE1 HIS 14 -31.496 -5.825 2.102 114 H ASN 15 HN ASN 15 -33.564 -1.074 -2.227 115 HA ASN 15 HA ASN 15 -35.955 -0.291 -3.327 116 1HB ASN 15 HB2 ASN 15 -34.308 1.069 -1.913 117 2HB ASN 15 HB1 ASN 15 -33.517 1.487 -3.432 118 1HD2 ASN 15 HD22 ASN 15 -35.694 4.279 -3.364 119 2HD2 ASN 15 HD21 ASN 15 -34.077 3.691 -3.093 120 H LYS 16 HN LYS 16 -36.686 0.603 -5.160 121 HA LYS 16 HA LYS 16 -36.826 -0.255 -7.526 122 1HB LYS 16 HB2 LYS 16 -36.295 2.634 -6.922 123 2HB LYS 16 HB1 LYS 16 -36.734 2.091 -8.541 124 1HG LYS 16 HG2 LYS 16 -38.626 0.839 -6.962 125 2HG LYS 16 HG1 LYS 16 -38.401 2.374 -6.128 126 1HD LYS 16 HD2 LYS 16 -39.285 3.598 -7.842 127 2HD LYS 16 HD1 LYS 16 -38.692 2.501 -9.085 128 1HE LYS 16 HE2 LYS 16 -40.732 1.326 -7.309 129 2HE LYS 16 HE1 LYS 16 -41.307 2.681 -8.272 130 1HZ LYS 16 HZ3 LYS 16 -40.496 1.565 -10.259 131 2HZ LYS 16 HZ2 LYS 16 -39.979 0.238 -9.313 132 3HZ LYS 16 HZ1 LYS 16 -41.642 0.617 -9.426 133 H LYS 17 HN LYS 17 -34.094 2.065 -7.282 134 HA LYS 17 HA LYS 17 -32.498 0.280 -8.991 135 1HB LYS 17 HB2 LYS 17 -31.864 2.610 -10.207 136 2HB LYS 17 HB1 LYS 17 -33.093 1.505 -10.791 137 1HG LYS 17 HG2 LYS 17 -34.117 3.613 -10.870 138 2HG LYS 17 HG1 LYS 17 -34.775 2.869 -9.429 139 1HD LYS 17 HD2 LYS 17 -34.255 4.899 -8.527 140 2HD LYS 17 HD1 LYS 17 -32.696 4.122 -8.296 141 1HE LYS 17 HE2 LYS 17 -32.422 6.354 -9.258 142 2HE LYS 17 HE1 LYS 17 -31.878 5.120 -10.388 143 1HZ LYS 17 HZ2 LYS 17 -34.664 5.888 -10.638 144 2HZ LYS 17 HZ1 LYS 17 -33.529 7.106 -11.032 145 3HZ LYS 17 HZ3 LYS 17 -33.487 5.610 -11.844 146 H ALA 18 HN ALA 18 -32.030 0.426 -6.426 147 HA ALA 18 HA ALA 18 -30.325 0.678 -4.921 148 1HB ALA 18 HB1 ALA 18 -29.025 0.610 -7.256 149 2HB ALA 18 HB3 ALA 18 -28.628 2.264 -6.791 150 3HB ALA 18 HB2 ALA 18 -28.196 0.922 -5.734 151 H SER 19 HN SER 19 -28.959 2.410 -3.796 152 HA SER 19 HA SER 19 -30.615 4.841 -3.526 153 1HB SER 19 HB2 SER 19 -28.645 4.857 -1.520 154 2HB SER 19 HB1 SER 19 -30.344 4.436 -1.345 155 HG SER 19 HG SER 19 -29.859 2.286 -1.586 156 H SER 20 HN SER 20 -27.614 3.787 -4.771 157 HA SER 20 HA SER 20 -26.737 6.580 -5.222 158 1HB SER 20 HB2 SER 20 -25.005 4.177 -4.582 159 2HB SER 20 HB1 SER 20 -24.397 5.754 -5.085 160 HG SER 20 HG SER 20 -24.439 6.185 -3.014 161 H ARG 21 HN ARG 21 -25.298 6.767 -7.110 162 HA ARG 21 HA ARG 21 -25.555 4.691 -9.179 163 1HB ARG 21 HB2 ARG 21 -26.263 6.571 -10.802 164 2HB ARG 21 HB1 ARG 21 -27.493 5.921 -9.726 165 1HG ARG 21 HG2 ARG 21 -27.168 7.820 -8.186 166 2HG ARG 21 HG1 ARG 21 -25.927 8.474 -9.249 167 1HD ARG 21 HD2 ARG 21 -28.705 7.932 -10.278 168 2HD ARG 21 HD1 ARG 21 -28.349 9.414 -9.391 169 HE ARG 21 HE ARG 21 -26.728 9.999 -11.122 170 1HH1 ARG 21 HH21 ARG 21 -25.776 8.515 -13.012 171 2HH1 ARG 21 HH22 ARG 21 -26.982 8.166 -14.227 172 1HH2 ARG 21 HH11 ARG 21 -29.693 8.988 -12.133 173 2HH2 ARG 21 HH12 ARG 21 -29.226 8.403 -13.713 174 H SER 22 HN SER 22 -23.338 5.208 -7.793 175 HA SER 22 HA SER 22 -21.683 7.223 -9.061 176 1HB SER 22 HB2 SER 22 -20.786 5.075 -7.142 177 2HB SER 22 HB1 SER 22 -20.041 6.640 -7.451 178 HG SER 22 HG SER 22 -21.614 6.176 -5.511 179 H TRP 23 HN TRP 23 -19.834 6.869 -10.245 180 HA TRP 23 HA TRP 23 -19.636 4.266 -11.649 181 1HB TRP 23 HB2 TRP 23 -19.109 7.108 -12.411 182 2HB TRP 23 HB1 TRP 23 -17.995 5.907 -13.053 183 HD1 TRP 23 HD1 TRP 23 -21.348 7.416 -13.753 184 HE1 TRP 23 HE1 TRP 23 -22.507 6.102 -15.618 185 HE3 TRP 23 HE3 TRP 23 -18.311 3.317 -13.939 186 HZ2 TRP 23 HZ2 TRP 23 -22.199 3.646 -16.991 187 HZ3 TRP 23 HZ3 TRP 23 -18.790 1.524 -15.544 188 HH2 TRP 23 HH2 TRP 23 -20.719 1.681 -17.061 189 H HIS 24 HN HIS 24 -18.511 3.168 -10.103 190 HA HIS 24 HA HIS 24 -16.085 4.270 -8.928 191 1HB HIS 24 HB2 HIS 24 -18.008 2.916 -7.775 192 2HB HIS 24 HB1 HIS 24 -17.160 1.511 -8.406 193 HD1 HIS 24 HD1 HIS 24 -17.415 3.180 -5.401 194 HD2 HIS 24 HD2 HIS 24 -14.149 2.018 -7.633 195 HE1 HIS 24 HE1 HIS 24 -15.526 3.089 -3.763 196 H ASN 25 HN ASN 25 -14.096 3.798 -9.533 197 HA ASN 25 HA ASN 25 -13.586 1.902 -11.715 198 1HB ASN 25 HB2 ASN 25 -12.551 4.202 -11.670 199 2HB ASN 25 HB1 ASN 25 -11.652 3.724 -10.234 200 1HD2 ASN 25 HD22 ASN 25 -9.091 2.936 -12.514 201 2HD2 ASN 25 HD21 ASN 25 -9.697 4.077 -11.350 202 H VAL 26 HN VAL 26 -13.703 -0.148 -10.889 203 HA VAL 26 HA VAL 26 -12.046 -0.808 -8.512 204 HB VAL 26 HB VAL 26 -14.547 -0.955 -8.278 205 1HG1 VAL 26 HG13 VAL 26 -15.038 -1.793 -10.550 206 2HG1 VAL 26 HG12 VAL 26 -14.294 -3.336 -10.119 207 3HG1 VAL 26 HG11 VAL 26 -15.745 -2.794 -9.279 208 1HG2 VAL 26 HG22 VAL 26 -12.866 -2.264 -6.918 209 2HG2 VAL 26 HG21 VAL 26 -14.512 -2.890 -6.951 210 3HG2 VAL 26 HG23 VAL 26 -13.260 -3.650 -7.938 211 H TYR 27 HN TYR 27 -11.200 -2.992 -8.450 212 HA TYR 27 HA TYR 27 -10.203 -3.893 -11.074 213 1HB TYR 27 HB2 TYR 27 -8.665 -3.345 -9.120 214 2HB TYR 27 HB1 TYR 27 -9.301 -4.780 -8.330 215 HD1 TYR 27 HD1 TYR 27 -7.316 -3.544 -11.168 216 HD2 TYR 27 HD2 TYR 27 -8.662 -6.985 -9.030 217 HE1 TYR 27 HE1 TYR 27 -5.668 -4.932 -12.362 218 HE2 TYR 27 HE2 TYR 27 -7.015 -8.367 -10.225 219 HH TYR 27 HH TYR 27 -5.281 -8.393 -11.610 220 H CYS 28 HN CYS 28 -11.305 -5.508 -11.993 221 HA CYS 28 HA CYS 28 -12.944 -7.319 -10.348 222 1HB CYS 28 HB2 CYS 28 -12.895 -6.842 -13.332 223 2HB CYS 28 HB1 CYS 28 -14.003 -7.917 -12.487 224 HG CYS 28 HG CYS 28 -14.081 -4.984 -11.579 225 H VAL 29 HN VAL 29 -12.395 -9.347 -9.991 226 HA VAL 29 HA VAL 29 -10.307 -10.662 -11.651 227 HB VAL 29 HB VAL 29 -10.901 -10.953 -8.687 228 1HG1 VAL 29 HG13 VAL 29 -9.398 -12.684 -10.567 229 2HG1 VAL 29 HG12 VAL 29 -8.616 -12.344 -9.023 230 3HG1 VAL 29 HG11 VAL 29 -10.219 -13.088 -9.056 231 1HG2 VAL 29 HG23 VAL 29 -9.172 -9.197 -10.099 232 2HG2 VAL 29 HG22 VAL 29 -9.321 -9.420 -8.358 233 3HG2 VAL 29 HG21 VAL 29 -8.166 -10.382 -9.272 234 H ILE 30 HN ILE 30 -11.224 -12.235 -12.871 235 HA ILE 30 HA ILE 30 -13.847 -13.282 -12.234 236 HB ILE 30 HB ILE 30 -11.919 -13.980 -14.454 237 1HG1 ILE 30 HG12 ILE 30 -14.266 -12.089 -14.266 238 2HG1 ILE 30 HG11 ILE 30 -12.602 -11.710 -14.689 239 1HG2 ILE 30 HG21 ILE 30 -14.776 -14.821 -13.940 240 2HG2 ILE 30 HG23 ILE 30 -14.037 -14.890 -15.539 241 3HG2 ILE 30 HG22 ILE 30 -13.366 -15.847 -14.223 242 1HD1 ILE 30 HD13 ILE 30 -13.113 -13.458 -16.655 243 2HD1 ILE 30 HD12 ILE 30 -14.760 -12.895 -16.365 244 3HD1 ILE 30 HD11 ILE 30 -13.500 -11.744 -16.800 245 H ASN 31 HN ASN 31 -14.391 -15.320 -11.632 246 HA ASN 31 HA ASN 31 -12.326 -17.337 -11.078 247 1HB ASN 31 HB2 ASN 31 -12.712 -15.948 -8.992 248 2HB ASN 31 HB1 ASN 31 -14.385 -16.490 -9.008 249 1HD2 ASN 31 HD22 ASN 31 -13.262 -19.054 -6.864 250 2HD2 ASN 31 HD21 ASN 31 -14.164 -17.578 -7.020 251 H ASN 32 HN ASN 32 -13.536 -19.449 -10.390 252 HA ASN 32 HA ASN 32 -15.271 -20.252 -12.455 253 1HB ASN 32 HB2 ASN 32 -13.791 -21.724 -11.016 254 2HB ASN 32 HB1 ASN 32 -15.006 -21.589 -9.747 255 1HD2 ASN 32 HD22 ASN 32 -15.639 -24.689 -11.692 256 2HD2 ASN 32 HD21 ASN 32 -14.319 -24.040 -10.771 257 H GLN 33 HN GLN 33 -17.113 -19.058 -12.681 258 HA GLN 33 HA GLN 33 -19.241 -18.300 -12.380 259 1HB GLN 33 HB2 GLN 33 -19.371 -20.511 -10.316 260 2HB GLN 33 HB1 GLN 33 -20.755 -19.647 -10.973 261 1HG GLN 33 HG2 GLN 33 -20.465 -20.573 -13.128 262 2HG GLN 33 HG1 GLN 33 -18.821 -21.106 -12.777 263 1HE2 GLN 33 HE22 GLN 33 -19.965 -23.845 -10.672 264 2HE2 GLN 33 HE21 GLN 33 -18.814 -22.550 -10.667 265 H GLU 34 HN GLU 34 -17.094 -17.066 -10.918 266 HA GLU 34 HA GLU 34 -18.635 -15.542 -8.979 267 1HB GLU 34 HB2 GLU 34 -16.268 -17.256 -8.271 268 2HB GLU 34 HB1 GLU 34 -16.543 -15.745 -7.406 269 1HG GLU 34 HG2 GLU 34 -18.862 -16.569 -6.874 270 2HG GLU 34 HG1 GLU 34 -18.408 -18.123 -7.572 271 H MET 35 HN MET 35 -17.461 -13.578 -8.337 272 HA MET 35 HA MET 35 -15.149 -12.842 -9.961 273 1HB MET 35 HB2 MET 35 -16.156 -10.820 -10.797 274 2HB MET 35 HB1 MET 35 -17.135 -12.189 -11.306 275 1HG MET 35 HG2 MET 35 -18.633 -11.727 -9.329 276 2HG MET 35 HG1 MET 35 -17.723 -10.250 -9.068 277 1HE MET 35 HE3 MET 35 -17.190 -8.691 -11.214 278 2HE MET 35 HE2 MET 35 -17.446 -9.666 -12.662 279 3HE MET 35 HE1 MET 35 -18.457 -8.256 -12.371 280 H GLY 36 HN GLY 36 -13.822 -11.463 -8.899 281 1HA GLY 36 HA2 GLY 36 -14.613 -10.656 -6.163 282 2HA GLY 36 HA1 GLY 36 -12.972 -10.989 -6.688 283 H PHE 37 HN PHE 37 -14.634 -8.569 -5.606 284 HA PHE 37 HA PHE 37 -13.726 -6.534 -7.559 285 1HB PHE 37 HB2 PHE 37 -15.781 -6.394 -5.340 286 2HB PHE 37 HB1 PHE 37 -15.263 -5.013 -6.298 287 HD1 PHE 37 HD1 PHE 37 -15.400 -5.361 -8.906 288 HD2 PHE 37 HD2 PHE 37 -17.665 -7.568 -6.034 289 HE1 PHE 37 HE1 PHE 37 -17.055 -5.918 -10.640 290 HE2 PHE 37 HE2 PHE 37 -19.321 -8.124 -7.774 291 HZ PHE 37 HZ PHE 37 -19.019 -7.299 -10.075 292 H TYR 38 HN TYR 38 -11.663 -6.029 -7.021 293 HA TYR 38 HA TYR 38 -11.059 -5.357 -4.190 294 1HB TYR 38 HB2 TYR 38 -9.211 -6.505 -6.289 295 2HB TYR 38 HB1 TYR 38 -8.736 -6.030 -4.663 296 HD1 TYR 38 HD1 TYR 38 -9.585 -7.275 -2.703 297 HD2 TYR 38 HD2 TYR 38 -10.333 -8.575 -6.694 298 HE1 TYR 38 HE1 TYR 38 -10.203 -9.503 -1.854 299 HE2 TYR 38 HE2 TYR 38 -10.939 -10.808 -5.856 300 HH TYR 38 HH TYR 38 -10.480 -12.224 -3.843 301 H LYS 39 HN LYS 39 -8.904 -3.998 -4.186 302 HA LYS 39 HA LYS 39 -9.520 -1.483 -5.438 303 1HB LYS 39 HB2 LYS 39 -8.485 -1.866 -3.134 304 2HB LYS 39 HB1 LYS 39 -6.970 -2.178 -3.978 305 1HG LYS 39 HG2 LYS 39 -6.901 0.025 -4.870 306 2HG LYS 39 HG1 LYS 39 -8.575 0.344 -4.416 307 1HD LYS 39 HD2 LYS 39 -7.994 0.325 -2.059 308 2HD LYS 39 HD1 LYS 39 -6.342 -0.157 -2.431 309 1HE LYS 39 HE2 LYS 39 -7.608 2.442 -3.337 310 2HE LYS 39 HE1 LYS 39 -6.581 2.280 -1.917 311 1HZ LYS 39 HZ2 LYS 39 -5.052 1.147 -3.784 312 2HZ LYS 39 HZ1 LYS 39 -5.866 2.313 -4.722 313 3HZ LYS 39 HZ3 LYS 39 -4.971 2.800 -3.358 314 H ASP 40 HN ASP 40 -6.986 -3.922 -5.859 315 HA ASP 40 HA ASP 40 -6.547 -3.237 -8.604 316 1HB ASP 40 HB2 ASP 40 -4.338 -2.388 -8.511 317 2HB ASP 40 HB1 ASP 40 -5.241 -1.451 -7.331 318 H ALA 41 HN ALA 41 -4.150 -4.386 -9.103 319 HA ALA 41 HA ALA 41 -4.681 -7.168 -8.945 320 1HB ALA 41 HB3 ALA 41 -3.316 -6.123 -10.725 321 2HB ALA 41 HB2 ALA 41 -2.048 -5.793 -9.545 322 3HB ALA 41 HB1 ALA 41 -2.474 -7.457 -9.944 323 H LYS 42 HN LYS 42 -2.650 -5.052 -6.954 324 HA LYS 42 HA LYS 42 -1.400 -7.186 -5.480 325 1HB LYS 42 HB2 LYS 42 -1.690 -4.274 -4.706 326 2HB LYS 42 HB1 LYS 42 -0.544 -5.436 -4.042 327 1HG LYS 42 HG2 LYS 42 0.098 -5.681 -6.629 328 2HG LYS 42 HG1 LYS 42 -0.510 -4.032 -6.669 329 1HD LYS 42 HD2 LYS 42 1.709 -3.646 -6.202 330 2HD LYS 42 HD1 LYS 42 1.043 -3.719 -4.573 331 1HE LYS 42 HE2 LYS 42 3.090 -5.035 -4.689 332 2HE LYS 42 HE1 LYS 42 1.716 -6.105 -4.430 333 1HZ LYS 42 HZ3 LYS 42 2.040 -5.871 -7.176 334 2HZ LYS 42 HZ2 LYS 42 3.598 -6.114 -6.531 335 3HZ LYS 42 HZ1 LYS 42 2.355 -7.232 -6.201 336 H SER 43 HN SER 43 -4.169 -5.025 -4.924 337 HA SER 43 HA SER 43 -4.853 -5.864 -2.304 338 1HB SER 43 HB2 SER 43 -5.703 -3.844 -3.613 339 2HB SER 43 HB1 SER 43 -6.792 -4.954 -4.431 340 HG SER 43 HG SER 43 -6.876 -3.946 -1.854 341 H ALA 44 HN ALA 44 -5.741 -7.078 -5.508 342 HA ALA 44 HA ALA 44 -7.633 -9.042 -4.647 343 1HB ALA 44 HB2 ALA 44 -6.065 -8.723 -7.215 344 2HB ALA 44 HB1 ALA 44 -7.315 -9.945 -6.969 345 3HB ALA 44 HB3 ALA 44 -7.732 -8.231 -6.909 346 H ALA 45 HN ALA 45 -4.154 -9.066 -5.196 347 HA ALA 45 HA ALA 45 -3.788 -11.892 -5.081 348 1HB ALA 45 HB1 ALA 45 -1.899 -9.559 -4.753 349 2HB ALA 45 HB3 ALA 45 -1.362 -11.240 -4.665 350 3HB ALA 45 HB2 ALA 45 -2.091 -10.622 -6.149 351 H SER 46 HN SER 46 -3.338 -9.299 -2.667 352 HA SER 46 HA SER 46 -2.597 -11.079 -0.537 353 1HB SER 46 HB2 SER 46 -3.711 -8.302 -0.171 354 2HB SER 46 HB1 SER 46 -2.556 -9.168 0.843 355 HG SER 46 HG SER 46 -1.370 -9.107 -1.446 356 H GLY 47 HN GLY 47 -5.640 -9.611 -1.585 357 1HA GLY 47 HA2 GLY 47 -7.786 -10.511 -1.229 358 2HA GLY 47 HA1 GLY 47 -7.153 -11.494 0.091 359 H ILE 48 HN ILE 48 -7.322 -8.032 -0.736 360 HA ILE 48 HA ILE 48 -7.996 -7.373 2.056 361 HB ILE 48 HB ILE 48 -6.993 -5.706 -0.254 362 1HG1 ILE 48 HG12 ILE 48 -5.697 -6.156 2.430 363 2HG1 ILE 48 HG11 ILE 48 -5.412 -7.221 1.059 364 1HG2 ILE 48 HG21 ILE 48 -7.984 -4.852 2.452 365 2HG2 ILE 48 HG23 ILE 48 -6.812 -3.896 1.548 366 3HG2 ILE 48 HG22 ILE 48 -8.405 -4.206 0.866 367 1HD1 ILE 48 HD11 ILE 48 -5.050 -4.646 0.033 368 2HD1 ILE 48 HD13 ILE 48 -4.285 -4.615 1.621 369 3HD1 ILE 48 HD12 ILE 48 -3.792 -5.813 0.425 370 HA PRO 49 HA PRO 49 -12.200 -6.916 0.570 371 1HB PRO 49 HB2 PRO 49 -13.313 -5.967 2.869 372 2HB PRO 49 HB1 PRO 49 -12.923 -7.672 2.592 373 1HG PRO 49 HG2 PRO 49 -11.416 -5.611 4.146 374 2HG PRO 49 HG1 PRO 49 -11.675 -7.326 4.509 375 1HD PRO 49 HD2 PRO 49 -9.352 -6.333 3.449 376 2HD PRO 49 HD1 PRO 49 -9.916 -7.998 3.193 377 H TYR 50 HN TYR 50 -11.950 -5.283 -0.931 378 HA TYR 50 HA TYR 50 -11.548 -2.514 -0.267 379 1HB TYR 50 HB2 TYR 50 -10.800 -3.557 -2.388 380 2HB TYR 50 HB1 TYR 50 -12.481 -3.776 -2.855 381 HD1 TYR 50 HD1 TYR 50 -10.381 -0.965 -1.526 382 HD2 TYR 50 HD2 TYR 50 -13.229 -2.282 -4.424 383 HE1 TYR 50 HE1 TYR 50 -10.391 1.278 -2.541 384 HE2 TYR 50 HE2 TYR 50 -13.233 -0.036 -5.437 385 HH TYR 50 HH TYR 50 -12.718 2.245 -4.881 386 H HIS 51 HN HIS 51 -14.298 -4.554 -0.382 387 HA HIS 51 HA HIS 51 -16.081 -2.323 0.214 388 1HB HIS 51 HB2 HIS 51 -15.995 -3.336 -2.399 389 2HB HIS 51 HB1 HIS 51 -17.363 -4.166 -1.678 390 HD1 HIS 51 HD1 HIS 51 -19.415 -2.952 -2.354 391 HD2 HIS 51 HD2 HIS 51 -16.341 -0.319 -1.476 392 HE1 HIS 51 HE1 HIS 51 -20.424 -0.683 -2.598 393 H SER 52 HN SER 52 -18.453 -3.589 0.368 394 HA SER 52 HA SER 52 -18.201 -5.233 2.693 395 1HB SER 52 HB2 SER 52 -20.761 -5.541 2.177 396 2HB SER 52 HB1 SER 52 -20.142 -3.982 2.715 397 HG SER 52 HG SER 52 -21.582 -4.221 0.674 398 H GLU 53 HN GLU 53 -19.806 -5.972 -0.400 399 HA GLU 53 HA GLU 53 -19.312 -8.843 -0.041 400 1HB GLU 53 HB2 GLU 53 -20.746 -7.524 -2.354 401 2HB GLU 53 HB1 GLU 53 -20.876 -9.189 -1.801 402 1HG GLU 53 HG2 GLU 53 -21.852 -6.733 -0.317 403 2HG GLU 53 HG1 GLU 53 -22.861 -7.901 -1.162 404 H VAL 54 HN VAL 54 -17.207 -9.283 -0.527 405 HA VAL 54 HA VAL 54 -15.906 -8.002 -2.805 406 HB VAL 54 HB VAL 54 -14.516 -10.180 -1.328 407 1HG1 VAL 54 HG12 VAL 54 -13.478 -8.806 -3.130 408 2HG1 VAL 54 HG11 VAL 54 -13.642 -7.398 -2.080 409 3HG1 VAL 54 HG13 VAL 54 -12.618 -8.746 -1.589 410 1HG2 VAL 54 HG21 VAL 54 -15.350 -7.577 -0.052 411 2HG2 VAL 54 HG23 VAL 54 -15.501 -9.216 0.591 412 3HG2 VAL 54 HG22 VAL 54 -13.916 -8.463 0.467 413 HA PRO 55 HA PRO 55 -16.055 -12.385 -4.601 414 1HB PRO 55 HB2 PRO 55 -16.833 -14.513 -3.095 415 2HB PRO 55 HB1 PRO 55 -15.196 -13.847 -3.070 416 1HG PRO 55 HG2 PRO 55 -17.252 -13.757 -1.008 417 2HG PRO 55 HG1 PRO 55 -15.526 -13.393 -0.880 418 1HD PRO 55 HD2 PRO 55 -17.773 -11.555 -1.164 419 2HD PRO 55 HD1 PRO 55 -16.086 -11.206 -0.756 420 H VAL 56 HN VAL 56 -17.785 -11.572 -5.833 421 HA VAL 56 HA VAL 56 -20.547 -12.231 -5.048 422 HB VAL 56 HB VAL 56 -19.471 -10.625 -7.376 423 1HG1 VAL 56 HG11 VAL 56 -22.282 -10.946 -6.327 424 2HG1 VAL 56 HG13 VAL 56 -21.790 -9.741 -7.514 425 3HG1 VAL 56 HG12 VAL 56 -21.673 -11.459 -7.897 426 1HG2 VAL 56 HG22 VAL 56 -20.322 -9.879 -4.600 427 2HG2 VAL 56 HG21 VAL 56 -18.912 -9.349 -5.518 428 3HG2 VAL 56 HG23 VAL 56 -20.513 -8.730 -5.925 429 H SER 57 HN SER 57 -21.939 -13.398 -6.461 430 HA SER 57 HA SER 57 -20.634 -15.631 -7.790 431 1HB SER 57 HB2 SER 57 -22.608 -15.902 -6.299 432 2HB SER 57 HB1 SER 57 -23.583 -15.015 -7.469 433 HG SER 57 HG SER 57 -23.899 -17.073 -8.087 434 H LEU 58 HN LEU 58 -20.452 -15.989 -9.889 435 HA LEU 58 HA LEU 58 -21.702 -14.116 -11.821 436 1HB LEU 58 HB2 LEU 58 -19.118 -14.170 -11.518 437 2HB LEU 58 HB1 LEU 58 -19.200 -15.711 -12.360 438 HG LEU 58 HG LEU 58 -20.537 -14.425 -14.156 439 1HD1 LEU 58 HD13 LEU 58 -20.301 -12.344 -12.343 440 2HD1 LEU 58 HD12 LEU 58 -19.098 -11.966 -13.578 441 3HD1 LEU 58 HD11 LEU 58 -20.787 -12.211 -14.032 442 1HD2 LEU 58 HD22 LEU 58 -17.594 -13.957 -13.698 443 2HD2 LEU 58 HD21 LEU 58 -18.341 -15.262 -14.617 444 3HD2 LEU 58 HD23 LEU 58 -18.425 -13.605 -15.215 445 H LYS 59 HN LYS 59 -22.755 -16.615 -10.619 446 HA LYS 59 HA LYS 59 -22.651 -18.672 -12.635 447 1HB LYS 59 HB2 LYS 59 -23.037 -18.889 -10.072 448 2HB LYS 59 HB1 LYS 59 -24.712 -18.503 -10.441 449 1HG LYS 59 HG2 LYS 59 -25.079 -20.509 -11.488 450 2HG LYS 59 HG1 LYS 59 -23.419 -20.641 -12.063 451 1HD LYS 59 HD2 LYS 59 -22.647 -21.276 -9.862 452 2HD LYS 59 HD1 LYS 59 -24.234 -20.975 -9.164 453 1HE LYS 59 HE2 LYS 59 -23.562 -23.117 -11.197 454 2HE LYS 59 HE1 LYS 59 -23.843 -23.372 -9.480 455 1HZ LYS 59 HZ3 LYS 59 -26.115 -22.490 -9.808 456 2HZ LYS 59 HZ2 LYS 59 -25.812 -22.423 -11.487 457 3HZ LYS 59 HZ1 LYS 59 -25.810 -23.922 -10.676 458 H GLU 60 HN GLU 60 -23.831 -18.727 -14.437 459 HA GLU 60 HA GLU 60 -25.375 -18.225 -16.054 460 1HB GLU 60 HB2 GLU 60 -27.234 -18.013 -13.679 461 2HB GLU 60 HB1 GLU 60 -27.723 -18.208 -15.359 462 1HG GLU 60 HG2 GLU 60 -26.287 -20.341 -15.342 463 2HG GLU 60 HG1 GLU 60 -26.257 -20.166 -13.586 464 H ALA 61 HN ALA 61 -23.845 -16.112 -15.696 465 HA ALA 61 HA ALA 61 -25.337 -13.707 -15.041 466 1HB ALA 61 HB3 ALA 61 -22.865 -14.000 -14.635 467 2HB ALA 61 HB2 ALA 61 -22.629 -13.912 -16.383 468 3HB ALA 61 HB1 ALA 61 -23.299 -12.531 -15.508 469 H ILE 62 HN ILE 62 -26.301 -12.334 -16.399 470 HA ILE 62 HA ILE 62 -26.402 -12.996 -19.280 471 HB ILE 62 HB ILE 62 -28.219 -11.175 -17.672 472 1HG1 ILE 62 HG12 ILE 62 -28.692 -14.026 -18.585 473 2HG1 ILE 62 HG11 ILE 62 -28.415 -13.515 -16.924 474 1HG2 ILE 62 HG21 ILE 62 -27.957 -11.831 -20.524 475 2HG2 ILE 62 HG23 ILE 62 -29.603 -11.969 -19.898 476 3HG2 ILE 62 HG22 ILE 62 -28.723 -10.448 -19.737 477 1HD1 ILE 62 HD12 ILE 62 -30.738 -12.641 -18.653 478 2HD1 ILE 62 HD11 ILE 62 -30.807 -13.844 -17.359 479 3HD1 ILE 62 HD13 ILE 62 -30.451 -12.159 -16.977 480 H CYS 63 HN CYS 63 -25.564 -11.567 -20.737 481 HA CYS 63 HA CYS 63 -24.661 -8.933 -19.720 482 1HB CYS 63 HB2 CYS 63 -22.892 -10.834 -19.958 483 2HB CYS 63 HB1 CYS 63 -23.015 -10.497 -21.679 484 HG CYS 63 HG CYS 63 -21.648 -8.481 -21.357 485 H GLU 64 HN GLU 64 -24.982 -7.241 -20.989 486 HA GLU 64 HA GLU 64 -25.864 -7.618 -23.796 487 1HB GLU 64 HB2 GLU 64 -26.991 -5.510 -21.941 488 2HB GLU 64 HB1 GLU 64 -27.571 -5.975 -23.535 489 1HG GLU 64 HG2 GLU 64 -28.025 -8.285 -22.512 490 2HG GLU 64 HG1 GLU 64 -27.786 -7.513 -20.946 491 H VAL 65 HN VAL 65 -25.332 -5.775 -25.171 492 HA VAL 65 HA VAL 65 -22.925 -4.367 -24.205 493 HB VAL 65 HB VAL 65 -23.914 -4.475 -27.048 494 1HG1 VAL 65 HG11 VAL 65 -21.340 -3.772 -25.666 495 2HG1 VAL 65 HG13 VAL 65 -21.312 -4.375 -27.326 496 3HG1 VAL 65 HG12 VAL 65 -22.197 -2.902 -26.939 497 1HG2 VAL 65 HG23 VAL 65 -22.439 -6.555 -25.470 498 2HG2 VAL 65 HG22 VAL 65 -23.756 -6.753 -26.633 499 3HG2 VAL 65 HG21 VAL 65 -22.131 -6.361 -27.201 500 H ALA 66 HN ALA 66 -22.718 -2.214 -24.148 501 HA ALA 66 HA ALA 66 -24.965 -0.449 -24.946 502 1HB ALA 66 HB2 ALA 66 -23.375 -0.425 -22.367 503 2HB ALA 66 HB1 ALA 66 -24.377 0.924 -22.909 504 3HB ALA 66 HB3 ALA 66 -25.117 -0.641 -22.549 505 H LEU 67 HN LEU 67 -23.645 -0.287 -26.881 506 HA LEU 67 HA LEU 67 -20.959 0.713 -26.876 507 1HB LEU 67 HB2 LEU 67 -22.545 -0.532 -28.702 508 2HB LEU 67 HB1 LEU 67 -22.631 1.122 -29.294 509 HG LEU 67 HG LEU 67 -19.985 0.961 -28.896 510 1HD1 LEU 67 HD13 LEU 67 -20.896 -1.878 -29.390 511 2HD1 LEU 67 HD12 LEU 67 -19.261 -1.318 -29.746 512 3HD1 LEU 67 HD11 LEU 67 -19.867 -1.283 -28.089 513 1HD2 LEU 67 HD21 LEU 67 -21.514 -0.028 -31.304 514 2HD2 LEU 67 HD23 LEU 67 -20.972 1.619 -30.989 515 3HD2 LEU 67 HD22 LEU 67 -19.788 0.351 -31.315 516 H ASP 68 HN ASP 68 -23.855 2.337 -26.238 517 HA ASP 68 HA ASP 68 -22.521 4.914 -26.391 518 1HB ASP 68 HB2 ASP 68 -23.454 4.666 -28.686 519 2HB ASP 68 HB1 ASP 68 -25.058 4.452 -27.997 520 H TYR 69 HN TYR 69 -22.803 4.602 -24.131 521 HA TYR 69 HA TYR 69 -25.560 4.905 -23.121 522 1HB TYR 69 HB2 TYR 69 -24.376 2.995 -22.191 523 2HB TYR 69 HB1 TYR 69 -23.015 4.017 -21.744 524 HD1 TYR 69 HD1 TYR 69 -26.727 4.272 -21.282 525 HD2 TYR 69 HD2 TYR 69 -22.870 4.284 -19.446 526 HE1 TYR 69 HE1 TYR 69 -27.765 4.737 -19.098 527 HE2 TYR 69 HE2 TYR 69 -23.918 4.751 -17.265 528 HH TYR 69 HH TYR 69 -27.096 4.328 -16.593 529 H LYS 70 HN LYS 70 -25.358 7.118 -23.997 530 HA LYS 70 HA LYS 70 -25.270 9.362 -23.712 531 1HB LYS 70 HB2 LYS 70 -24.645 8.630 -20.842 532 2HB LYS 70 HB1 LYS 70 -24.984 10.262 -21.405 533 1HG LYS 70 HG2 LYS 70 -27.212 9.692 -22.019 534 2HG LYS 70 HG1 LYS 70 -26.895 7.966 -21.849 535 1HD LYS 70 HD2 LYS 70 -26.552 8.289 -19.411 536 2HD LYS 70 HD1 LYS 70 -26.927 10.000 -19.607 537 1HE LYS 70 HE2 LYS 70 -28.821 7.746 -20.318 538 2HE LYS 70 HE1 LYS 70 -28.862 8.633 -18.794 539 1HZ LYS 70 HZ2 LYS 70 -28.954 10.665 -20.454 540 2HZ LYS 70 HZ1 LYS 70 -29.655 9.484 -21.467 541 3HZ LYS 70 HZ3 LYS 70 -30.363 9.827 -19.965 542 H LYS 71 HN LYS 71 -22.844 9.283 -21.231 543 HA LYS 71 HA LYS 71 -20.903 10.444 -23.115 544 1HB LYS 71 HB2 LYS 71 -20.840 10.339 -20.094 545 2HB LYS 71 HB1 LYS 71 -19.727 11.223 -21.133 546 1HG LYS 71 HG2 LYS 71 -22.122 12.183 -22.018 547 2HG LYS 71 HG1 LYS 71 -22.493 11.886 -20.322 548 1HD LYS 71 HD2 LYS 71 -21.560 13.893 -19.901 549 2HD LYS 71 HD1 LYS 71 -20.008 13.130 -20.219 550 1HE LYS 71 HE2 LYS 71 -21.698 14.363 -22.402 551 2HE LYS 71 HE1 LYS 71 -20.491 15.276 -21.499 552 1HZ LYS 71 HZ3 LYS 71 -19.374 12.847 -22.449 553 2HZ LYS 71 HZ2 LYS 71 -20.079 13.712 -23.735 554 3HZ LYS 71 HZ1 LYS 71 -18.895 14.449 -22.758 555 H LYS 72 HN LYS 72 -21.571 7.449 -21.817 556 HA LYS 72 HA LYS 72 -18.747 6.584 -21.790 557 1HB LYS 72 HB2 LYS 72 -21.153 4.986 -20.910 558 2HB LYS 72 HB1 LYS 72 -19.456 4.661 -20.575 559 1HG LYS 72 HG2 LYS 72 -19.949 7.274 -19.602 560 2HG LYS 72 HG1 LYS 72 -21.324 6.302 -19.094 561 1HD LYS 72 HD2 LYS 72 -19.804 6.045 -17.337 562 2HD LYS 72 HD1 LYS 72 -19.553 4.591 -18.297 563 1HE LYS 72 HE2 LYS 72 -17.381 5.347 -17.838 564 2HE LYS 72 HE1 LYS 72 -17.688 5.921 -19.473 565 1HZ LYS 72 HZ2 LYS 72 -18.562 7.873 -17.649 566 2HZ LYS 72 HZ1 LYS 72 -16.969 7.415 -17.238 567 3HZ LYS 72 HZ3 LYS 72 -17.311 7.970 -18.807 568 H LYS 73 HN LYS 73 -17.967 5.390 -23.406 569 HA LYS 73 HA LYS 73 -19.679 4.815 -25.702 570 1HB LYS 73 HB2 LYS 73 -16.686 4.499 -25.424 571 2HB LYS 73 HB1 LYS 73 -17.621 4.478 -26.913 572 1HG LYS 73 HG2 LYS 73 -16.926 6.663 -26.948 573 2HG LYS 73 HG1 LYS 73 -18.426 6.854 -26.045 574 1HD LYS 73 HD2 LYS 73 -17.359 7.282 -24.062 575 2HD LYS 73 HD1 LYS 73 -15.971 6.271 -24.455 576 1HE LYS 73 HE2 LYS 73 -16.552 9.004 -25.615 577 2HE LYS 73 HE1 LYS 73 -15.357 8.643 -24.374 578 1HZ LYS 73 HZ2 LYS 73 -14.814 6.916 -26.460 579 2HZ LYS 73 HZ1 LYS 73 -15.136 8.428 -27.182 580 3HZ LYS 73 HZ3 LYS 73 -13.926 8.300 -26.001 581 H HIS 74 HN HIS 74 -16.943 2.892 -24.483 582 HA HIS 74 HA HIS 74 -18.301 0.458 -25.326 583 1HB HIS 74 HB2 HIS 74 -15.581 0.674 -24.030 584 2HB HIS 74 HB1 HIS 74 -16.209 -0.643 -25.013 585 HD1 HIS 74 HD1 HIS 74 -16.097 -0.349 -27.558 586 HD2 HIS 74 HD2 HIS 74 -14.836 3.000 -25.512 587 HE1 HIS 74 HE1 HIS 74 -14.957 1.067 -29.279 588 H VAL 75 HN VAL 75 -20.015 0.499 -23.784 589 HA VAL 75 HA VAL 75 -19.240 -0.452 -21.087 590 HB VAL 75 HB VAL 75 -21.738 1.063 -21.883 591 1HG1 VAL 75 HG13 VAL 75 -20.739 0.096 -19.205 592 2HG1 VAL 75 HG12 VAL 75 -21.980 1.331 -19.380 593 3HG1 VAL 75 HG11 VAL 75 -22.265 -0.291 -19.998 594 1HG2 VAL 75 HG23 VAL 75 -19.084 1.985 -20.999 595 2HG2 VAL 75 HG22 VAL 75 -20.342 2.835 -21.894 596 3HG2 VAL 75 HG21 VAL 75 -20.451 2.694 -20.137 597 H PHE 76 HN PHE 76 -20.681 -2.044 -20.149 598 HA PHE 76 HA PHE 76 -22.556 -3.360 -21.945 599 1HB PHE 76 HB2 PHE 76 -21.647 -5.592 -21.563 600 2HB PHE 76 HB1 PHE 76 -20.526 -4.573 -22.439 601 HD1 PHE 76 HD1 PHE 76 -18.426 -3.841 -21.417 602 HD2 PHE 76 HD2 PHE 76 -21.150 -6.400 -19.351 603 HE1 PHE 76 HE1 PHE 76 -16.640 -4.478 -19.844 604 HE2 PHE 76 HE2 PHE 76 -19.369 -7.032 -17.774 605 HZ PHE 76 HZ PHE 76 -17.108 -6.073 -18.023 606 H LYS 77 HN LYS 77 -24.233 -4.207 -20.942 607 HA LYS 77 HA LYS 77 -24.533 -3.661 -18.080 608 1HB LYS 77 HB2 LYS 77 -26.353 -2.823 -19.328 609 2HB LYS 77 HB1 LYS 77 -26.445 -4.257 -20.335 610 1HG LYS 77 HG2 LYS 77 -28.313 -4.072 -18.733 611 2HG LYS 77 HG1 LYS 77 -27.397 -5.561 -18.566 612 1HD LYS 77 HD2 LYS 77 -27.224 -5.117 -16.381 613 2HD LYS 77 HD1 LYS 77 -26.175 -3.768 -16.790 614 1HE LYS 77 HE2 LYS 77 -28.042 -3.074 -15.335 615 2HE LYS 77 HE1 LYS 77 -28.089 -2.264 -16.899 616 1HZ LYS 77 HZ1 LYS 77 -29.595 -4.499 -17.285 617 2HZ LYS 77 HZ3 LYS 77 -29.996 -4.019 -15.698 618 3HZ LYS 77 HZ2 LYS 77 -30.181 -2.924 -16.989 619 H LEU 78 HN LEU 78 -23.903 -5.200 -16.753 620 HA LEU 78 HA LEU 78 -24.230 -8.047 -17.481 621 1HB LEU 78 HB2 LEU 78 -21.918 -7.286 -17.123 622 2HB LEU 78 HB1 LEU 78 -22.349 -6.710 -15.526 623 HG LEU 78 HG LEU 78 -22.736 -8.904 -14.754 624 1HD1 LEU 78 HD11 LEU 78 -22.677 -9.616 -17.635 625 2HD1 LEU 78 HD13 LEU 78 -22.125 -10.818 -16.469 626 3HD1 LEU 78 HD12 LEU 78 -23.760 -10.173 -16.353 627 1HD2 LEU 78 HD23 LEU 78 -20.180 -8.400 -16.161 628 2HD2 LEU 78 HD22 LEU 78 -20.503 -8.633 -14.442 629 3HD2 LEU 78 HD21 LEU 78 -20.459 -10.022 -15.528 630 H ARG 79 HN ARG 79 -25.808 -9.095 -16.454 631 HA ARG 79 HA ARG 79 -26.589 -8.215 -13.729 632 1HB ARG 79 HB2 ARG 79 -28.408 -7.822 -15.362 633 2HB ARG 79 HB1 ARG 79 -28.381 -9.536 -15.786 634 1HG ARG 79 HG2 ARG 79 -29.048 -10.174 -13.571 635 2HG ARG 79 HG1 ARG 79 -28.808 -8.545 -12.965 636 1HD ARG 79 HD2 ARG 79 -30.647 -7.847 -14.624 637 2HD ARG 79 HD1 ARG 79 -31.000 -9.570 -14.757 638 HE ARG 79 HE ARG 79 -30.872 -8.636 -12.019 639 1HH1 ARG 79 HH11 ARG 79 -32.752 -10.829 -12.879 640 2HH1 ARG 79 HH12 ARG 79 -34.292 -10.018 -12.889 641 1HH2 ARG 79 HH21 ARG 79 -32.926 -6.789 -12.814 642 2HH2 ARG 79 HH22 ARG 79 -34.401 -7.728 -12.801 643 H LEU 80 HN LEU 80 -26.109 -9.609 -12.238 644 HA LEU 80 HA LEU 80 -25.225 -12.311 -12.872 645 1HB LEU 80 HB2 LEU 80 -25.529 -11.032 -10.145 646 2HB LEU 80 HB1 LEU 80 -24.507 -12.395 -10.590 647 HG LEU 80 HG LEU 80 -24.177 -9.523 -11.472 648 1HD1 LEU 80 HD11 LEU 80 -23.498 -10.374 -9.091 649 2HD1 LEU 80 HD13 LEU 80 -22.121 -11.057 -9.958 650 3HD1 LEU 80 HD12 LEU 80 -22.423 -9.318 -10.008 651 1HD2 LEU 80 HD23 LEU 80 -22.752 -12.028 -12.316 652 2HD2 LEU 80 HD22 LEU 80 -23.439 -10.749 -13.323 653 3HD2 LEU 80 HD21 LEU 80 -21.968 -10.451 -12.396 654 H SER 81 HN SER 81 -26.157 -14.218 -11.845 655 HA SER 81 HA SER 81 -29.064 -14.106 -11.650 656 1HB SER 81 HB2 SER 81 -27.577 -15.991 -12.709 657 2HB SER 81 HB1 SER 81 -27.455 -16.575 -11.052 658 HG SER 81 HG SER 81 -29.968 -15.943 -12.217 659 H ASP 82 HN ASP 82 -27.685 -12.609 -9.766 660 HA ASP 82 HA ASP 82 -28.496 -13.855 -7.205 661 1HB ASP 82 HB2 ASP 82 -25.935 -13.704 -7.681 662 2HB ASP 82 HB1 ASP 82 -26.139 -11.970 -7.455 663 H GLY 83 HN GLY 83 -29.681 -11.941 -9.253 664 1HA GLY 83 HA2 GLY 83 -31.231 -10.237 -9.075 665 2HA GLY 83 HA1 GLY 83 -30.764 -10.001 -7.394 666 H ASN 84 HN ASN 84 -28.036 -9.551 -7.712 667 HA ASN 84 HA ASN 84 -27.792 -6.834 -7.983 668 1HB ASN 84 HB2 ASN 84 -25.791 -9.068 -8.187 669 2HB ASN 84 HB1 ASN 84 -25.285 -7.393 -8.390 670 1HD2 ASN 84 HD22 ASN 84 -26.072 -8.839 -4.697 671 2HD2 ASN 84 HD21 ASN 84 -26.139 -9.816 -6.126 672 H GLU 85 HN GLU 85 -27.591 -5.384 -9.530 673 HA GLU 85 HA GLU 85 -27.084 -6.228 -12.339 674 1HB GLU 85 HB2 GLU 85 -29.144 -4.430 -11.115 675 2HB GLU 85 HB1 GLU 85 -28.538 -4.041 -12.727 676 1HG GLU 85 HG2 GLU 85 -29.084 -6.485 -13.315 677 2HG GLU 85 HG1 GLU 85 -30.009 -6.509 -11.813 678 H TYR 86 HN TYR 86 -25.343 -5.212 -13.272 679 HA TYR 86 HA TYR 86 -24.490 -2.560 -12.263 680 1HB TYR 86 HB2 TYR 86 -22.576 -4.842 -12.773 681 2HB TYR 86 HB1 TYR 86 -22.168 -3.229 -12.210 682 HD1 TYR 86 HD1 TYR 86 -23.160 -2.505 -9.929 683 HD2 TYR 86 HD2 TYR 86 -22.902 -6.558 -11.241 684 HE1 TYR 86 HE1 TYR 86 -23.290 -3.264 -7.597 685 HE2 TYR 86 HE2 TYR 86 -23.017 -7.320 -8.903 686 HH TYR 86 HH TYR 86 -23.149 -4.984 -6.210 687 H LEU 87 HN LEU 87 -23.132 -1.375 -13.695 688 HA LEU 87 HA LEU 87 -23.235 -2.167 -16.564 689 1HB LEU 87 HB2 LEU 87 -22.922 0.644 -15.455 690 2HB LEU 87 HB1 LEU 87 -23.098 0.184 -17.139 691 HG LEU 87 HG LEU 87 -25.184 0.060 -14.976 692 1HD1 LEU 87 HD11 LEU 87 -24.719 2.241 -16.129 693 2HD1 LEU 87 HD13 LEU 87 -25.202 1.475 -17.645 694 3HD1 LEU 87 HD12 LEU 87 -26.364 1.644 -16.330 695 1HD2 LEU 87 HD21 LEU 87 -24.999 -1.373 -17.565 696 2HD2 LEU 87 HD23 LEU 87 -25.871 -1.801 -16.092 697 3HD2 LEU 87 HD22 LEU 87 -26.539 -0.606 -17.200 698 H PHE 88 HN PHE 88 -21.246 -2.634 -17.388 699 HA PHE 88 HA PHE 88 -18.868 -1.717 -15.881 700 1HB PHE 88 HB2 PHE 88 -19.441 -4.208 -17.424 701 2HB PHE 88 HB1 PHE 88 -17.782 -3.686 -17.159 702 HD1 PHE 88 HD1 PHE 88 -17.175 -3.107 -14.675 703 HD2 PHE 88 HD2 PHE 88 -20.456 -5.570 -15.845 704 HE1 PHE 88 HE1 PHE 88 -17.209 -4.125 -12.435 705 HE2 PHE 88 HE2 PHE 88 -20.495 -6.587 -13.602 706 HZ PHE 88 HZ PHE 88 -18.872 -5.869 -11.898 707 H GLN 89 HN GLN 89 -17.607 -0.267 -16.834 708 HA GLN 89 HA GLN 89 -17.822 0.156 -19.757 709 1HB GLN 89 HB2 GLN 89 -18.324 2.087 -18.261 710 2HB GLN 89 HB1 GLN 89 -16.681 2.004 -17.666 711 1HG GLN 89 HG2 GLN 89 -16.642 2.063 -20.550 712 2HG GLN 89 HG1 GLN 89 -17.630 3.387 -19.945 713 1HE2 GLN 89 HE22 GLN 89 -13.731 3.291 -18.613 714 2HE2 GLN 89 HE21 GLN 89 -14.636 1.818 -18.766 715 H ALA 90 HN ALA 90 -16.231 -0.468 -21.001 716 HA ALA 90 HA ALA 90 -13.603 -1.194 -19.869 717 1HB ALA 90 HB3 ALA 90 -14.893 -1.843 -22.531 718 2HB ALA 90 HB2 ALA 90 -13.293 -2.380 -22.025 719 3HB ALA 90 HB1 ALA 90 -14.723 -2.936 -21.162 720 H LYS 91 HN LYS 91 -11.716 -0.713 -21.385 721 HA LYS 91 HA LYS 91 -11.765 2.135 -22.026 722 1HB LYS 91 HB2 LYS 91 -9.399 1.985 -22.198 723 2HB LYS 91 HB1 LYS 91 -9.879 1.028 -20.802 724 1HG LYS 91 HG2 LYS 91 -9.908 -0.886 -22.727 725 2HG LYS 91 HG1 LYS 91 -8.657 0.177 -23.361 726 1HD LYS 91 HD2 LYS 91 -7.524 0.062 -21.124 727 2HD LYS 91 HD1 LYS 91 -8.727 -1.129 -20.633 728 1HE LYS 91 HE2 LYS 91 -6.796 -2.348 -21.345 729 2HE LYS 91 HE1 LYS 91 -8.010 -2.529 -22.605 730 1HZ LYS 91 HZ2 LYS 91 -6.077 -0.337 -22.837 731 2HZ LYS 91 HZ1 LYS 91 -5.561 -1.927 -23.187 732 3HZ LYS 91 HZ3 LYS 91 -6.853 -1.237 -24.059 733 H ASP 92 HN ASP 92 -11.756 -0.901 -23.771 734 HA ASP 92 HA ASP 92 -12.162 0.529 -26.296 735 1HB ASP 92 HB2 ASP 92 -9.689 0.193 -26.083 736 2HB ASP 92 HB1 ASP 92 -9.961 -1.545 -25.991 737 H ASP 93 HN ASP 93 -12.670 -1.037 -28.071 738 HA ASP 93 HA ASP 93 -14.824 -2.752 -27.394 739 1HB ASP 93 HB2 ASP 93 -14.671 -1.635 -29.561 740 2HB ASP 93 HB1 ASP 93 -13.212 -2.538 -29.956 741 H GLU 94 HN GLU 94 -11.441 -3.423 -28.267 742 HA GLU 94 HA GLU 94 -11.578 -6.230 -28.380 743 1HB GLU 94 HB2 GLU 94 -9.218 -4.543 -27.514 744 2HB GLU 94 HB1 GLU 94 -9.161 -6.199 -28.113 745 1HG GLU 94 HG2 GLU 94 -10.417 -5.141 -30.196 746 2HG GLU 94 HG1 GLU 94 -9.676 -3.654 -29.611 747 H GLU 95 HN GLU 95 -11.064 -4.045 -25.650 748 HA GLU 95 HA GLU 95 -10.568 -6.086 -23.702 749 1HB GLU 95 HB2 GLU 95 -10.099 -3.495 -23.633 750 2HB GLU 95 HB1 GLU 95 -11.725 -3.424 -22.967 751 1HG GLU 95 HG2 GLU 95 -10.733 -5.417 -21.452 752 2HG GLU 95 HG1 GLU 95 -9.232 -4.564 -21.804 753 H MET 96 HN MET 96 -13.418 -4.144 -24.578 754 HA MET 96 HA MET 96 -15.278 -5.172 -22.755 755 1HB MET 96 HB2 MET 96 -15.656 -3.190 -24.175 756 2HB MET 96 HB1 MET 96 -15.765 -4.226 -25.591 757 1HG MET 96 HG2 MET 96 -17.570 -5.032 -23.418 758 2HG MET 96 HG1 MET 96 -17.883 -3.409 -24.019 759 1HE MET 96 HE1 MET 96 -17.319 -3.171 -26.752 760 2HE MET 96 HE3 MET 96 -18.443 -4.009 -27.825 761 3HE MET 96 HE2 MET 96 -19.052 -2.956 -26.554 762 H ASN 97 HN ASN 97 -14.546 -6.251 -26.072 763 HA ASN 97 HA ASN 97 -16.366 -8.393 -26.200 764 1HB ASN 97 HB2 ASN 97 -15.099 -7.369 -28.124 765 2HB ASN 97 HB1 ASN 97 -13.669 -8.242 -27.577 766 1HD2 ASN 97 HD22 ASN 97 -16.852 -10.381 -29.085 767 2HD2 ASN 97 HD21 ASN 97 -17.107 -8.839 -28.308 768 H THR 98 HN THR 98 -12.971 -8.308 -25.132 769 HA THR 98 HA THR 98 -12.645 -11.073 -24.608 770 HB THR 98 HB THR 98 -11.271 -8.682 -23.349 771 HG1 THR 98 HG1 THR 98 -10.737 -8.582 -25.436 772 1HG2 THR 98 HG23 THR 98 -10.555 -11.617 -23.352 773 2HG2 THR 98 HG22 THR 98 -9.395 -10.341 -22.997 774 3HG2 THR 98 HG21 THR 98 -10.795 -10.564 -21.955 775 H TRP 99 HN TRP 99 -13.755 -8.388 -22.547 776 HA TRP 99 HA TRP 99 -13.960 -9.839 -20.113 777 1HB TRP 99 HB2 TRP 99 -15.112 -7.267 -21.151 778 2HB TRP 99 HB1 TRP 99 -15.767 -7.948 -19.669 779 HD1 TRP 99 HD1 TRP 99 -13.178 -5.591 -20.754 780 HE1 TRP 99 HE1 TRP 99 -11.459 -5.214 -18.912 781 HE3 TRP 99 HE3 TRP 99 -14.344 -9.503 -17.638 782 HZ2 TRP 99 HZ2 TRP 99 -10.676 -6.367 -16.474 783 HZ3 TRP 99 HZ3 TRP 99 -13.067 -9.786 -15.551 784 HH2 TRP 99 HH2 TRP 99 -11.247 -8.238 -14.977 785 H ILE 100 HN ILE 100 -16.440 -9.013 -22.559 786 HA ILE 100 HA ILE 100 -18.577 -10.404 -21.331 787 HB ILE 100 HB ILE 100 -18.113 -9.636 -24.215 788 1HG1 ILE 100 HG12 ILE 100 -19.795 -8.373 -22.038 789 2HG1 ILE 100 HG11 ILE 100 -18.261 -7.757 -22.632 790 1HG2 ILE 100 HG23 ILE 100 -20.538 -10.833 -22.874 791 2HG2 ILE 100 HG22 ILE 100 -20.652 -9.881 -24.357 792 3HG2 ILE 100 HG21 ILE 100 -19.712 -11.373 -24.340 793 1HD1 ILE 100 HD12 ILE 100 -19.303 -7.595 -24.917 794 2HD1 ILE 100 HD11 ILE 100 -20.853 -7.997 -24.171 795 3HD1 ILE 100 HD13 ILE 100 -20.011 -6.514 -23.712 796 H GLN 101 HN GLN 101 -16.185 -11.452 -23.763 797 HA GLN 101 HA GLN 101 -17.282 -14.008 -24.293 798 1HB GLN 101 HB2 GLN 101 -14.561 -12.787 -24.588 799 2HB GLN 101 HB1 GLN 101 -14.755 -14.522 -24.823 800 1HG GLN 101 HG2 GLN 101 -16.382 -14.169 -26.575 801 2HG GLN 101 HG1 GLN 101 -16.387 -12.430 -26.282 802 1HE2 GLN 101 HE22 GLN 101 -14.108 -13.394 -29.149 803 2HE2 GLN 101 HE21 GLN 101 -15.736 -13.845 -28.733 804 H ALA 102 HN ALA 102 -14.905 -12.926 -21.876 805 HA ALA 102 HA ALA 102 -14.316 -15.479 -20.768 806 1HB ALA 102 HB1 ALA 102 -14.127 -12.701 -19.564 807 2HB ALA 102 HB3 ALA 102 -13.479 -14.163 -18.811 808 3HB ALA 102 HB2 ALA 102 -12.837 -13.608 -20.362 809 H ILE 103 HN ILE 103 -16.623 -12.941 -19.839 810 HA ILE 103 HA ILE 103 -17.741 -14.238 -17.577 811 HB ILE 103 HB ILE 103 -18.810 -12.120 -19.450 812 1HG1 ILE 103 HG12 ILE 103 -18.017 -11.715 -16.589 813 2HG1 ILE 103 HG11 ILE 103 -16.773 -11.790 -17.832 814 1HG2 ILE 103 HG22 ILE 103 -20.073 -13.392 -17.051 815 2HG2 ILE 103 HG21 ILE 103 -20.339 -11.677 -17.373 816 3HG2 ILE 103 HG23 ILE 103 -20.810 -12.879 -18.574 817 1HD1 ILE 103 HD12 ILE 103 -18.656 -10.055 -18.910 818 2HD1 ILE 103 HD11 ILE 103 -18.640 -9.636 -17.199 819 3HD1 ILE 103 HD13 ILE 103 -17.146 -9.593 -18.131 820 H SER 104 HN SER 104 -18.552 -14.343 -21.032 821 HA SER 104 HA SER 104 -20.973 -15.834 -20.794 822 1HB SER 104 HB2 SER 104 -19.061 -15.627 -23.126 823 2HB SER 104 HB1 SER 104 -20.704 -16.261 -23.195 824 HG SER 104 HG SER 104 -19.874 -13.599 -22.618 825 H SER 105 HN SER 105 -17.664 -16.763 -20.517 826 HA SER 105 HA SER 105 -18.084 -19.555 -21.237 827 1HB SER 105 HB2 SER 105 -15.684 -18.254 -19.929 828 2HB SER 105 HB1 SER 105 -15.742 -19.844 -20.685 829 HG SER 105 HG SER 105 -16.339 -17.437 -22.095 830 H ALA 106 HN ALA 106 -18.952 -17.785 -18.576 831 HA ALA 106 HA ALA 106 -18.307 -19.818 -16.562 832 1HB ALA 106 HB3 ALA 106 -18.081 -17.418 -15.993 833 2HB ALA 106 HB2 ALA 106 -19.810 -17.201 -16.278 834 3HB ALA 106 HB1 ALA 106 -19.255 -18.240 -14.962 No H/Q in entry = 834 Start of MODEL 2 1 1H MET 1 HT3 MET 1 -7.972 -13.533 -15.300 2 2H MET 1 HT2 MET 1 -9.423 -14.311 -15.763 3 3H MET 1 HT1 MET 1 -8.162 -14.111 -16.893 4 HA MET 1 HA MET 1 -8.615 -11.963 -17.286 5 1HB MET 1 HB2 MET 1 -11.234 -13.088 -16.270 6 2HB MET 1 HB1 MET 1 -11.108 -11.528 -17.077 7 1HG MET 1 HG2 MET 1 -10.046 -14.051 -18.332 8 2HG MET 1 HG1 MET 1 -11.726 -13.563 -18.510 9 1HE MET 1 HE2 MET 1 -8.673 -13.816 -20.233 10 2HE MET 1 HE1 MET 1 -8.341 -12.323 -21.106 11 3HE MET 1 HE3 MET 1 -7.913 -12.463 -19.394 12 H GLU 2 HN GLU 2 -7.415 -10.683 -15.962 13 HA GLU 2 HA GLU 2 -8.788 -9.527 -13.596 14 1HB GLU 2 HB2 GLU 2 -5.816 -10.110 -13.779 15 2HB GLU 2 HB1 GLU 2 -6.683 -9.425 -12.407 16 1HG GLU 2 HG2 GLU 2 -6.779 -11.546 -11.638 17 2HG GLU 2 HG1 GLU 2 -8.071 -11.759 -12.815 18 H GLY 3 HN GLY 3 -8.823 -7.347 -13.590 19 1HA GLY 3 HA2 GLY 3 -6.855 -5.597 -14.532 20 2HA GLY 3 HA1 GLY 3 -8.001 -5.845 -15.851 21 H PHE 4 HN PHE 4 -7.885 -3.370 -15.105 22 HA PHE 4 HA PHE 4 -9.736 -2.728 -12.944 23 1HB PHE 4 HB2 PHE 4 -8.103 -1.112 -14.876 24 2HB PHE 4 HB1 PHE 4 -9.384 -0.356 -13.943 25 HD1 PHE 4 HD1 PHE 4 -9.335 -0.576 -11.423 26 HD2 PHE 4 HD2 PHE 4 -5.981 -1.463 -13.913 27 HE1 PHE 4 HE1 PHE 4 -7.837 -0.349 -9.486 28 HE2 PHE 4 HE2 PHE 4 -4.481 -1.227 -11.972 29 HZ PHE 4 HZ PHE 4 -5.408 -0.664 -9.759 30 H LEU 5 HN LEU 5 -11.733 -1.852 -13.165 31 HA LEU 5 HA LEU 5 -12.970 -1.519 -15.806 32 1HB LEU 5 HB2 LEU 5 -13.658 -3.656 -13.812 33 2HB LEU 5 HB1 LEU 5 -14.971 -2.892 -14.696 34 HG LEU 5 HG LEU 5 -12.595 -4.238 -15.976 35 1HD1 LEU 5 HD12 LEU 5 -15.206 -5.254 -15.042 36 2HD1 LEU 5 HD11 LEU 5 -14.707 -5.769 -16.652 37 3HD1 LEU 5 HD13 LEU 5 -13.672 -6.097 -15.263 38 1HD2 LEU 5 HD23 LEU 5 -15.049 -2.905 -17.077 39 2HD2 LEU 5 HD22 LEU 5 -13.363 -2.696 -17.555 40 3HD2 LEU 5 HD21 LEU 5 -14.224 -4.176 -17.975 41 H ASN 6 HN ASN 6 -14.720 -0.085 -15.744 42 HA ASN 6 HA ASN 6 -15.037 1.457 -13.255 43 1HB ASN 6 HB2 ASN 6 -16.317 1.941 -15.946 44 2HB ASN 6 HB1 ASN 6 -16.304 3.037 -14.582 45 1HD2 ASN 6 HD22 ASN 6 -13.047 4.239 -15.121 46 2HD2 ASN 6 HD21 ASN 6 -14.413 4.159 -14.056 47 H ARG 7 HN ARG 7 -16.717 1.112 -11.899 48 HA ARG 7 HA ARG 7 -18.892 -0.667 -12.865 49 1HB ARG 7 HB2 ARG 7 -17.372 -1.644 -11.159 50 2HB ARG 7 HB1 ARG 7 -17.853 -0.373 -10.042 51 1HG ARG 7 HG2 ARG 7 -20.199 -1.135 -10.191 52 2HG ARG 7 HG1 ARG 7 -19.702 -2.410 -11.303 53 1HD ARG 7 HD2 ARG 7 -18.087 -3.134 -9.406 54 2HD ARG 7 HD1 ARG 7 -19.101 -2.127 -8.370 55 HE ARG 7 HE ARG 7 -20.416 -4.185 -10.018 56 1HH1 ARG 7 HH21 ARG 7 -21.672 -2.702 -7.594 57 2HH1 ARG 7 HH22 ARG 7 -21.667 -3.980 -6.409 58 1HH2 ARG 7 HH11 ARG 7 -19.352 -5.974 -8.127 59 2HH2 ARG 7 HH12 ARG 7 -20.316 -5.814 -6.692 60 H LYS 8 HN LYS 8 -20.942 -0.131 -12.569 61 HA LYS 8 HA LYS 8 -21.784 2.034 -10.792 62 1HB LYS 8 HB2 LYS 8 -21.302 3.154 -12.955 63 2HB LYS 8 HB1 LYS 8 -22.393 2.049 -13.769 64 1HG LYS 8 HG2 LYS 8 -23.868 3.156 -11.624 65 2HG LYS 8 HG1 LYS 8 -22.981 4.495 -12.336 66 1HD LYS 8 HD2 LYS 8 -24.538 4.613 -13.938 67 2HD LYS 8 HD1 LYS 8 -23.995 3.048 -14.526 68 1HE LYS 8 HE2 LYS 8 -26.406 3.019 -14.135 69 2HE LYS 8 HE1 LYS 8 -25.593 1.920 -13.027 70 1HZ LYS 8 HZ3 LYS 8 -25.664 4.276 -11.664 71 2HZ LYS 8 HZ2 LYS 8 -27.161 4.266 -12.477 72 3HZ LYS 8 HZ1 LYS 8 -26.731 2.967 -11.454 73 H HIS 9 HN HIS 9 -23.482 1.150 -9.710 74 HA HIS 9 HA HIS 9 -24.801 -1.174 -10.859 75 1HB HIS 9 HB2 HIS 9 -25.893 -1.416 -8.676 76 2HB HIS 9 HB1 HIS 9 -24.144 -1.392 -8.582 77 HD1 HIS 9 HD1 HIS 9 -25.145 -0.922 -6.008 78 HD2 HIS 9 HD2 HIS 9 -25.064 2.250 -8.672 79 HE1 HIS 9 HE1 HIS 9 -25.232 1.130 -4.583 80 H GLU 10 HN GLU 10 -26.868 -1.402 -11.394 81 HA GLU 10 HA GLU 10 -28.433 1.053 -11.846 82 1HB GLU 10 HB2 GLU 10 -27.845 -0.580 -13.734 83 2HB GLU 10 HB1 GLU 10 -28.971 -1.702 -12.975 84 1HG GLU 10 HG2 GLU 10 -30.109 -0.487 -14.742 85 2HG GLU 10 HG1 GLU 10 -30.766 0.005 -13.184 86 H TRP 11 HN TRP 11 -28.621 -2.197 -10.461 87 HA TRP 11 HA TRP 11 -30.600 -1.363 -8.526 88 1HB TRP 11 HB2 TRP 11 -32.062 -1.867 -10.413 89 2HB TRP 11 HB1 TRP 11 -31.297 -3.434 -10.624 90 HD1 TRP 11 HD1 TRP 11 -33.187 -1.608 -7.715 91 HE1 TRP 11 HE1 TRP 11 -34.652 -3.344 -6.563 92 HE3 TRP 11 HE3 TRP 11 -31.904 -5.740 -10.416 93 HZ2 TRP 11 HZ2 TRP 11 -35.219 -6.096 -6.743 94 HZ3 TRP 11 HZ3 TRP 11 -32.950 -7.905 -9.877 95 HH2 TRP 11 HH2 TRP 11 -34.582 -8.084 -8.056 96 H GLU 12 HN GLU 12 -30.497 -2.583 -6.744 97 HA GLU 12 HA GLU 12 -29.819 -5.228 -6.374 98 1HB GLU 12 HB2 GLU 12 -27.462 -5.018 -5.489 99 2HB GLU 12 HB1 GLU 12 -27.613 -4.922 -7.234 100 1HG GLU 12 HG2 GLU 12 -26.797 -2.819 -7.304 101 2HG GLU 12 HG1 GLU 12 -27.796 -2.286 -5.957 102 H ALA 13 HN ALA 13 -30.016 -1.980 -5.245 103 HA ALA 13 HA ALA 13 -29.580 -2.418 -2.458 104 1HB ALA 13 HB1 ALA 13 -29.320 -0.218 -3.590 105 2HB ALA 13 HB3 ALA 13 -31.071 -0.151 -3.795 106 3HB ALA 13 HB2 ALA 13 -30.371 -0.149 -2.176 107 H HIS 14 HN HIS 14 -31.533 -4.258 -3.603 108 HA HIS 14 HA HIS 14 -33.423 -5.356 -2.970 109 1HB HIS 14 HB2 HIS 14 -33.678 -3.388 -0.686 110 2HB HIS 14 HB1 HIS 14 -34.384 -4.990 -0.804 111 HD1 HIS 14 HD1 HIS 14 -31.641 -3.311 0.698 112 HD2 HIS 14 HD2 HIS 14 -32.149 -7.060 -0.996 113 HE1 HIS 14 HE1 HIS 14 -29.760 -4.692 1.605 114 H ASN 15 HN ASN 15 -34.129 -1.910 -2.298 115 HA ASN 15 HA ASN 15 -36.850 -2.114 -3.202 116 1HB ASN 15 HB2 ASN 15 -35.755 -0.501 -1.452 117 2HB ASN 15 HB1 ASN 15 -35.420 0.513 -2.850 118 1HD2 ASN 15 HD22 ASN 15 -39.298 -0.133 -1.656 119 2HD2 ASN 15 HD21 ASN 15 -38.040 -1.257 -1.243 120 H LYS 16 HN LYS 16 -36.616 0.663 -4.470 121 HA LYS 16 HA LYS 16 -36.453 -0.258 -7.224 122 1HB LYS 16 HB2 LYS 16 -37.172 2.435 -6.039 123 2HB LYS 16 HB1 LYS 16 -37.289 2.015 -7.744 124 1HG LYS 16 HG2 LYS 16 -38.637 0.032 -6.131 125 2HG LYS 16 HG1 LYS 16 -39.240 1.636 -5.745 126 1HD LYS 16 HD2 LYS 16 -38.939 0.916 -8.630 127 2HD LYS 16 HD1 LYS 16 -40.265 0.186 -7.732 128 1HE LYS 16 HE2 LYS 16 -40.830 2.336 -8.927 129 2HE LYS 16 HE1 LYS 16 -41.213 2.302 -7.210 130 1HZ LYS 16 HZ2 LYS 16 -38.791 3.539 -8.403 131 2HZ LYS 16 HZ1 LYS 16 -40.174 4.385 -7.872 132 3HZ LYS 16 HZ3 LYS 16 -39.211 3.550 -6.747 133 H LYS 17 HN LYS 17 -34.700 -0.123 -8.429 134 HA LYS 17 HA LYS 17 -32.656 0.425 -9.263 135 1HB LYS 17 HB2 LYS 17 -33.537 3.167 -8.355 136 2HB LYS 17 HB1 LYS 17 -32.143 2.872 -9.381 137 1HG LYS 17 HG2 LYS 17 -34.580 1.558 -10.346 138 2HG LYS 17 HG1 LYS 17 -34.711 3.310 -10.264 139 1HD LYS 17 HD2 LYS 17 -32.252 2.127 -11.480 140 2HD LYS 17 HD1 LYS 17 -33.740 2.095 -12.419 141 1HE LYS 17 HE2 LYS 17 -33.927 4.466 -12.395 142 2HE LYS 17 HE1 LYS 17 -32.698 4.626 -11.144 143 1HZ LYS 17 HZ3 LYS 17 -31.355 3.349 -13.090 144 2HZ LYS 17 HZ2 LYS 17 -32.400 4.355 -13.994 145 3HZ LYS 17 HZ1 LYS 17 -31.350 5.035 -12.837 146 H ALA 18 HN ALA 18 -30.671 2.063 -8.671 147 HA ALA 18 HA ALA 18 -29.870 2.069 -5.907 148 1HB ALA 18 HB1 ALA 18 -29.457 -0.309 -6.474 149 2HB ALA 18 HB3 ALA 18 -28.457 0.195 -7.837 150 3HB ALA 18 HB2 ALA 18 -27.949 0.554 -6.186 151 H SER 19 HN SER 19 -28.516 3.787 -5.678 152 HA SER 19 HA SER 19 -26.740 4.582 -7.869 153 1HB SER 19 HB2 SER 19 -28.836 6.493 -6.805 154 2HB SER 19 HB1 SER 19 -27.622 6.842 -8.036 155 HG SER 19 HG SER 19 -28.837 4.719 -8.923 156 H SER 20 HN SER 20 -26.541 3.675 -4.996 157 HA SER 20 HA SER 20 -25.565 5.965 -3.514 158 1HB SER 20 HB2 SER 20 -24.623 3.785 -2.148 159 2HB SER 20 HB1 SER 20 -26.206 4.517 -1.911 160 HG SER 20 HG SER 20 -25.646 2.046 -2.744 161 H ARG 21 HN ARG 21 -24.190 3.358 -5.425 162 HA ARG 21 HA ARG 21 -21.518 4.623 -5.234 163 1HB ARG 21 HB2 ARG 21 -22.252 1.697 -5.276 164 2HB ARG 21 HB1 ARG 21 -20.645 2.266 -5.714 165 1HG ARG 21 HG2 ARG 21 -21.738 3.289 -3.150 166 2HG ARG 21 HG1 ARG 21 -21.338 1.576 -3.197 167 1HD ARG 21 HD2 ARG 21 -19.390 2.742 -2.422 168 2HD ARG 21 HD1 ARG 21 -19.063 2.218 -4.072 169 HE ARG 21 HE ARG 21 -19.200 4.467 -4.811 170 1HH1 ARG 21 HH11 ARG 21 -21.339 5.732 -3.261 171 2HH1 ARG 21 HH12 ARG 21 -20.495 6.720 -2.099 172 1HH2 ARG 21 HH21 ARG 21 -17.441 4.993 -2.469 173 2HH2 ARG 21 HH22 ARG 21 -18.269 6.287 -1.628 174 H SER 22 HN SER 22 -21.978 5.870 -7.067 175 HA SER 22 HA SER 22 -22.827 4.725 -9.568 176 1HB SER 22 HB2 SER 22 -21.548 7.425 -9.072 177 2HB SER 22 HB1 SER 22 -22.546 6.953 -10.448 178 HG SER 22 HG SER 22 -23.299 7.420 -7.767 179 H TRP 23 HN TRP 23 -21.162 6.026 -11.367 180 HA TRP 23 HA TRP 23 -19.313 4.141 -12.094 181 1HB TRP 23 HB2 TRP 23 -19.511 7.080 -12.710 182 2HB TRP 23 HB1 TRP 23 -18.208 6.101 -13.378 183 HD1 TRP 23 HD1 TRP 23 -21.640 7.177 -14.235 184 HE1 TRP 23 HE1 TRP 23 -22.606 5.681 -16.063 185 HE3 TRP 23 HE3 TRP 23 -18.225 3.358 -14.157 186 HZ2 TRP 23 HZ2 TRP 23 -22.018 3.226 -17.347 187 HZ3 TRP 23 HZ3 TRP 23 -18.463 1.485 -15.716 188 HH2 TRP 23 HH2 TRP 23 -20.346 1.411 -17.306 189 H HIS 24 HN HIS 24 -17.761 3.355 -10.831 190 HA HIS 24 HA HIS 24 -15.665 5.189 -9.852 191 1HB HIS 24 HB2 HIS 24 -15.412 3.893 -7.786 192 2HB HIS 24 HB1 HIS 24 -17.003 4.631 -7.885 193 HD1 HIS 24 HD1 HIS 24 -18.942 2.878 -8.704 194 HD2 HIS 24 HD2 HIS 24 -15.465 1.226 -7.189 195 HE1 HIS 24 HE1 HIS 24 -19.568 0.550 -8.040 196 H ASN 25 HN ASN 25 -13.618 4.491 -10.161 197 HA ASN 25 HA ASN 25 -13.175 2.275 -11.964 198 1HB ASN 25 HB2 ASN 25 -11.878 4.416 -12.029 199 2HB ASN 25 HB1 ASN 25 -11.156 3.990 -10.478 200 1HD2 ASN 25 HD22 ASN 25 -9.857 2.251 -13.927 201 2HD2 ASN 25 HD21 ASN 25 -11.234 3.308 -13.886 202 H VAL 26 HN VAL 26 -13.182 0.226 -11.251 203 HA VAL 26 HA VAL 26 -11.911 -0.411 -8.655 204 HB VAL 26 HB VAL 26 -14.562 -0.419 -8.926 205 1HG1 VAL 26 HG12 VAL 26 -14.436 -2.045 -10.855 206 2HG1 VAL 26 HG11 VAL 26 -13.938 -3.268 -9.683 207 3HG1 VAL 26 HG13 VAL 26 -15.512 -2.497 -9.535 208 1HG2 VAL 26 HG23 VAL 26 -13.003 -1.138 -6.974 209 2HG2 VAL 26 HG22 VAL 26 -14.683 -1.666 -6.996 210 3HG2 VAL 26 HG21 VAL 26 -13.406 -2.777 -7.498 211 H TYR 27 HN TYR 27 -11.425 -2.817 -8.498 212 HA TYR 27 HA TYR 27 -10.310 -3.788 -11.071 213 1HB TYR 27 HB2 TYR 27 -8.782 -3.099 -9.097 214 2HB TYR 27 HB1 TYR 27 -9.313 -4.590 -8.344 215 HD1 TYR 27 HD2 TYR 27 -8.730 -6.774 -9.354 216 HD2 TYR 27 HD1 TYR 27 -7.267 -3.098 -10.939 217 HE1 TYR 27 HE2 TYR 27 -6.991 -7.996 -10.607 218 HE2 TYR 27 HE1 TYR 27 -5.540 -4.312 -12.191 219 HH TYR 27 HH TYR 27 -4.963 -7.726 -11.714 220 H CYS 28 HN CYS 28 -11.009 -5.703 -11.809 221 HA CYS 28 HA CYS 28 -12.618 -7.432 -10.005 222 1HB CYS 28 HB2 CYS 28 -12.979 -6.949 -12.974 223 2HB CYS 28 HB1 CYS 28 -13.926 -8.060 -11.989 224 HG CYS 28 HG CYS 28 -14.074 -5.226 -10.911 225 H VAL 29 HN VAL 29 -12.180 -9.574 -9.976 226 HA VAL 29 HA VAL 29 -10.225 -10.699 -11.896 227 HB VAL 29 HB VAL 29 -10.227 -11.010 -8.887 228 1HG1 VAL 29 HG11 VAL 29 -8.926 -12.613 -11.037 229 2HG1 VAL 29 HG13 VAL 29 -8.013 -12.301 -9.562 230 3HG1 VAL 29 HG12 VAL 29 -9.570 -13.124 -9.476 231 1HG2 VAL 29 HG21 VAL 29 -8.661 -9.410 -10.794 232 2HG2 VAL 29 HG23 VAL 29 -8.981 -9.149 -9.079 233 3HG2 VAL 29 HG22 VAL 29 -7.716 -10.271 -9.578 234 H ILE 30 HN ILE 30 -11.140 -12.371 -12.904 235 HA ILE 30 HA ILE 30 -13.378 -13.817 -11.632 236 HB ILE 30 HB ILE 30 -12.482 -14.137 -14.488 237 1HG1 ILE 30 HG12 ILE 30 -14.255 -11.967 -13.342 238 2HG1 ILE 30 HG11 ILE 30 -12.778 -11.767 -14.278 239 1HG2 ILE 30 HG22 ILE 30 -14.140 -15.721 -13.428 240 2HG2 ILE 30 HG21 ILE 30 -15.243 -14.352 -13.282 241 3HG2 ILE 30 HG23 ILE 30 -14.713 -14.893 -14.875 242 1HD1 ILE 30 HD12 ILE 30 -15.349 -12.986 -15.318 243 2HD1 ILE 30 HD11 ILE 30 -14.795 -11.340 -15.636 244 3HD1 ILE 30 HD13 ILE 30 -13.872 -12.714 -16.246 245 H ASN 31 HN ASN 31 -13.193 -15.899 -11.004 246 HA ASN 31 HA ASN 31 -10.833 -17.458 -11.865 247 1HB ASN 31 HB2 ASN 31 -10.419 -16.475 -9.594 248 2HB ASN 31 HB1 ASN 31 -11.816 -17.367 -8.995 249 1HD2 ASN 31 HD22 ASN 31 -9.673 -20.023 -8.232 250 2HD2 ASN 31 HD21 ASN 31 -10.837 -18.857 -7.688 251 H ASN 32 HN ASN 32 -12.795 -18.022 -13.264 252 HA ASN 32 HA ASN 32 -14.192 -19.643 -14.017 253 1HB ASN 32 HB2 ASN 32 -12.298 -21.049 -13.002 254 2HB ASN 32 HB1 ASN 32 -13.404 -21.374 -11.669 255 1HD2 ASN 32 HD22 ASN 32 -14.793 -24.027 -13.457 256 2HD2 ASN 32 HD21 ASN 32 -14.196 -23.380 -11.965 257 H GLN 33 HN GLN 33 -16.165 -18.796 -13.843 258 HA GLN 33 HA GLN 33 -18.353 -18.630 -13.259 259 1HB GLN 33 HB2 GLN 33 -17.771 -20.757 -11.196 260 2HB GLN 33 HB1 GLN 33 -19.357 -20.255 -11.769 261 1HG GLN 33 HG2 GLN 33 -18.359 -20.862 -14.140 262 2HG GLN 33 HG1 GLN 33 -17.245 -21.845 -13.191 263 1HE2 GLN 33 HE22 GLN 33 -19.905 -23.926 -11.874 264 2HE2 GLN 33 HE21 GLN 33 -18.469 -23.089 -11.360 265 H GLU 34 HN GLU 34 -15.923 -17.908 -10.953 266 HA GLU 34 HA GLU 34 -17.861 -16.214 -9.494 267 1HB GLU 34 HB2 GLU 34 -16.619 -16.605 -7.402 268 2HB GLU 34 HB1 GLU 34 -17.345 -18.079 -8.035 269 1HG GLU 34 HG2 GLU 34 -15.144 -18.726 -8.993 270 2HG GLU 34 HG1 GLU 34 -14.433 -17.278 -8.282 271 H MET 35 HN MET 35 -17.208 -14.165 -9.048 272 HA MET 35 HA MET 35 -14.490 -13.367 -9.918 273 1HB MET 35 HB2 MET 35 -15.350 -11.358 -10.867 274 2HB MET 35 HB1 MET 35 -16.308 -12.682 -11.511 275 1HG MET 35 HG2 MET 35 -18.092 -12.189 -9.917 276 2HG MET 35 HG1 MET 35 -17.142 -10.883 -9.221 277 1HE MET 35 HE2 MET 35 -16.200 -8.991 -10.509 278 2HE MET 35 HE1 MET 35 -16.019 -9.344 -12.227 279 3HE MET 35 HE3 MET 35 -17.147 -8.093 -11.691 280 H GLY 36 HN GLY 36 -13.449 -11.811 -8.734 281 1HA GLY 36 HA2 GLY 36 -14.616 -11.138 -6.093 282 2HA GLY 36 HA1 GLY 36 -12.910 -11.454 -6.372 283 H PHE 37 HN PHE 37 -14.785 -9.051 -5.590 284 HA PHE 37 HA PHE 37 -13.805 -7.009 -7.474 285 1HB PHE 37 HB2 PHE 37 -15.880 -6.988 -5.281 286 2HB PHE 37 HB1 PHE 37 -15.297 -5.507 -6.028 287 HD1 PHE 37 HD1 PHE 37 -15.790 -5.009 -8.386 288 HD2 PHE 37 HD2 PHE 37 -17.317 -8.513 -6.474 289 HE1 PHE 37 HE1 PHE 37 -17.423 -5.299 -10.216 290 HE2 PHE 37 HE2 PHE 37 -18.936 -8.806 -8.309 291 HZ PHE 37 HZ PHE 37 -18.953 -7.198 -10.211 292 H TYR 38 HN TYR 38 -11.885 -6.130 -7.034 293 HA TYR 38 HA TYR 38 -11.110 -5.650 -4.199 294 1HB TYR 38 HB2 TYR 38 -9.287 -6.379 -6.499 295 2HB TYR 38 HB1 TYR 38 -8.793 -6.069 -4.842 296 HD1 TYR 38 HD1 TYR 38 -9.508 -7.623 -3.026 297 HD2 TYR 38 HD2 TYR 38 -10.073 -8.518 -7.157 298 HE1 TYR 38 HE1 TYR 38 -9.796 -10.003 -2.466 299 HE2 TYR 38 HE2 TYR 38 -10.362 -10.898 -6.604 300 HH TYR 38 HH TYR 38 -9.463 -12.244 -3.715 301 H LYS 39 HN LYS 39 -9.118 -4.064 -4.234 302 HA LYS 39 HA LYS 39 -10.060 -1.582 -5.399 303 1HB LYS 39 HB2 LYS 39 -9.208 -1.573 -3.126 304 2HB LYS 39 HB1 LYS 39 -7.674 -2.233 -3.659 305 1HG LYS 39 HG2 LYS 39 -7.361 0.099 -3.283 306 2HG LYS 39 HG1 LYS 39 -7.326 -0.150 -5.023 307 1HD LYS 39 HD2 LYS 39 -9.683 0.582 -5.158 308 2HD LYS 39 HD1 LYS 39 -9.692 0.841 -3.416 309 1HE LYS 39 HE2 LYS 39 -9.318 2.977 -4.380 310 2HE LYS 39 HE1 LYS 39 -7.757 2.444 -3.764 311 1HZ LYS 39 HZ1 LYS 39 -8.491 1.883 -6.561 312 2HZ LYS 39 HZ3 LYS 39 -7.931 3.437 -6.122 313 3HZ LYS 39 HZ2 LYS 39 -6.941 2.077 -5.866 314 H ASP 40 HN ASP 40 -7.135 -3.608 -5.669 315 HA ASP 40 HA ASP 40 -6.734 -2.750 -8.423 316 1HB ASP 40 HB2 ASP 40 -4.573 -1.840 -8.168 317 2HB ASP 40 HB1 ASP 40 -5.520 -1.080 -6.898 318 H ALA 41 HN ALA 41 -4.249 -3.764 -8.898 319 HA ALA 41 HA ALA 41 -4.695 -6.571 -9.031 320 1HB ALA 41 HB3 ALA 41 -3.363 -5.370 -10.698 321 2HB ALA 41 HB2 ALA 41 -2.147 -5.003 -9.475 322 3HB ALA 41 HB1 ALA 41 -2.427 -6.674 -9.967 323 H LYS 42 HN LYS 42 -2.752 -4.551 -6.839 324 HA LYS 42 HA LYS 42 -1.383 -6.685 -5.522 325 1HB LYS 42 HB2 LYS 42 -2.057 -3.885 -4.591 326 2HB LYS 42 HB1 LYS 42 -1.044 -5.004 -3.689 327 1HG LYS 42 HG2 LYS 42 0.419 -5.147 -5.771 328 2HG LYS 42 HG1 LYS 42 -0.497 -3.778 -6.397 329 1HD LYS 42 HD2 LYS 42 0.209 -3.021 -3.797 330 2HD LYS 42 HD1 LYS 42 1.640 -3.844 -4.407 331 1HE LYS 42 HE2 LYS 42 0.352 -1.864 -6.229 332 2HE LYS 42 HE1 LYS 42 1.173 -1.229 -4.809 333 1HZ LYS 42 HZ2 LYS 42 2.982 -2.969 -5.693 334 2HZ LYS 42 HZ1 LYS 42 2.273 -2.488 -7.170 335 3HZ LYS 42 HZ3 LYS 42 2.949 -1.322 -6.124 336 H SER 43 HN SER 43 -4.384 -4.926 -4.834 337 HA SER 43 HA SER 43 -5.057 -6.214 -2.405 338 1HB SER 43 HB2 SER 43 -6.908 -5.024 -4.477 339 2HB SER 43 HB1 SER 43 -7.298 -5.341 -2.786 340 HG SER 43 HG SER 43 -5.389 -3.489 -3.826 341 H ALA 44 HN ALA 44 -5.694 -7.041 -5.780 342 HA ALA 44 HA ALA 44 -7.439 -9.229 -5.255 343 1HB ALA 44 HB2 ALA 44 -7.417 -8.002 -7.401 344 2HB ALA 44 HB1 ALA 44 -5.805 -8.639 -7.729 345 3HB ALA 44 HB3 ALA 44 -7.180 -9.737 -7.619 346 H ALA 45 HN ALA 45 -4.006 -8.974 -6.119 347 HA ALA 45 HA ALA 45 -3.384 -11.722 -6.145 348 1HB ALA 45 HB3 ALA 45 -1.602 -9.356 -5.526 349 2HB ALA 45 HB2 ALA 45 -1.043 -10.984 -5.913 350 3HB ALA 45 HB1 ALA 45 -1.914 -10.040 -7.123 351 H SER 46 HN SER 46 -3.292 -9.348 -3.524 352 HA SER 46 HA SER 46 -2.248 -11.216 -1.576 353 1HB SER 46 HB2 SER 46 -3.505 -8.504 -1.113 354 2HB SER 46 HB1 SER 46 -2.465 -9.394 -0.004 355 HG SER 46 HG SER 46 -1.804 -8.013 -2.364 356 H GLY 47 HN GLY 47 -5.417 -9.845 -2.370 357 1HA GLY 47 HA2 GLY 47 -7.489 -10.931 -2.071 358 2HA GLY 47 HA1 GLY 47 -6.754 -11.995 -0.875 359 H ILE 48 HN ILE 48 -6.680 -8.463 -1.113 360 HA ILE 48 HA ILE 48 -7.481 -8.168 1.673 361 HB ILE 48 HB ILE 48 -6.647 -6.191 -0.461 362 1HG1 ILE 48 HG12 ILE 48 -5.197 -6.873 2.091 363 2HG1 ILE 48 HG11 ILE 48 -4.972 -7.817 0.622 364 1HG2 ILE 48 HG22 ILE 48 -7.700 -5.746 2.301 365 2HG2 ILE 48 HG21 ILE 48 -6.398 -4.712 1.719 366 3HG2 ILE 48 HG23 ILE 48 -7.925 -4.784 0.836 367 1HD1 ILE 48 HD11 ILE 48 -4.726 -4.847 0.431 368 2HD1 ILE 48 HD13 ILE 48 -3.411 -5.751 1.182 369 3HD1 ILE 48 HD12 ILE 48 -3.889 -6.106 -0.478 370 HA PRO 49 HA PRO 49 -11.762 -7.731 0.407 371 1HB PRO 49 HB2 PRO 49 -12.802 -7.153 2.854 372 2HB PRO 49 HB1 PRO 49 -12.355 -8.782 2.331 373 1HG PRO 49 HG2 PRO 49 -10.875 -6.883 4.091 374 2HG PRO 49 HG1 PRO 49 -11.044 -8.641 4.222 375 1HD PRO 49 HD2 PRO 49 -8.820 -7.399 3.230 376 2HD PRO 49 HD1 PRO 49 -9.320 -9.037 2.770 377 H TYR 50 HN TYR 50 -12.113 -5.961 -0.789 378 HA TYR 50 HA TYR 50 -11.873 -3.256 0.355 379 1HB TYR 50 HB2 TYR 50 -10.764 -3.701 -1.794 380 2HB TYR 50 HB1 TYR 50 -12.299 -4.199 -2.492 381 HD1 TYR 50 HD1 TYR 50 -10.925 -1.264 -0.608 382 HD2 TYR 50 HD2 TYR 50 -13.326 -2.653 -3.854 383 HE1 TYR 50 HE1 TYR 50 -11.361 1.062 -1.287 384 HE2 TYR 50 HE2 TYR 50 -13.762 -0.325 -4.527 385 HH TYR 50 HH TYR 50 -13.732 1.872 -3.699 386 H HIS 51 HN HIS 51 -14.168 -5.570 0.263 387 HA HIS 51 HA HIS 51 -16.372 -3.725 0.608 388 1HB HIS 51 HB2 HIS 51 -15.929 -4.854 -1.968 389 2HB HIS 51 HB1 HIS 51 -17.280 -5.738 -1.275 390 HD1 HIS 51 HD1 HIS 51 -19.017 -4.698 -2.801 391 HD2 HIS 51 HD2 HIS 51 -16.921 -1.870 -0.634 392 HE1 HIS 51 HE1 HIS 51 -20.258 -2.558 -3.170 393 H SER 52 HN SER 52 -18.460 -5.202 0.936 394 HA SER 52 HA SER 52 -17.743 -7.152 2.984 395 1HB SER 52 HB2 SER 52 -20.583 -6.656 2.181 396 2HB SER 52 HB1 SER 52 -19.886 -6.898 3.778 397 HG SER 52 HG SER 52 -18.785 -4.697 3.056 398 H GLU 53 HN GLU 53 -19.767 -7.110 0.046 399 HA GLU 53 HA GLU 53 -19.637 -10.045 -0.178 400 1HB GLU 53 HB2 GLU 53 -21.248 -7.915 -1.606 401 2HB GLU 53 HB1 GLU 53 -21.223 -9.594 -2.123 402 1HG GLU 53 HG2 GLU 53 -22.836 -10.036 -0.653 403 2HG GLU 53 HG1 GLU 53 -21.720 -9.652 0.652 404 H VAL 54 HN VAL 54 -17.327 -9.935 -0.603 405 HA VAL 54 HA VAL 54 -16.297 -8.600 -2.926 406 HB VAL 54 HB VAL 54 -14.687 -10.810 -1.808 407 1HG1 VAL 54 HG12 VAL 54 -13.841 -9.078 -3.357 408 2HG1 VAL 54 HG11 VAL 54 -14.133 -7.864 -2.111 409 3HG1 VAL 54 HG13 VAL 54 -12.951 -9.145 -1.834 410 1HG2 VAL 54 HG23 VAL 54 -15.595 -8.524 -0.062 411 2HG2 VAL 54 HG22 VAL 54 -15.715 -10.254 0.274 412 3HG2 VAL 54 HG21 VAL 54 -14.137 -9.467 0.249 413 HA PRO 55 HA PRO 55 -16.248 -12.894 -4.969 414 1HB PRO 55 HB2 PRO 55 -17.173 -15.087 -3.670 415 2HB PRO 55 HB1 PRO 55 -15.520 -14.484 -3.515 416 1HG PRO 55 HG2 PRO 55 -17.727 -14.394 -1.579 417 2HG PRO 55 HG1 PRO 55 -15.984 -14.269 -1.314 418 1HD PRO 55 HD2 PRO 55 -17.911 -12.156 -1.401 419 2HD PRO 55 HD1 PRO 55 -16.164 -12.033 -1.142 420 H VAL 56 HN VAL 56 -17.745 -12.437 -6.473 421 HA VAL 56 HA VAL 56 -20.622 -12.899 -5.907 422 HB VAL 56 HB VAL 56 -19.273 -11.243 -8.046 423 1HG1 VAL 56 HG13 VAL 56 -22.048 -12.143 -7.711 424 2HG1 VAL 56 HG12 VAL 56 -21.870 -10.411 -7.963 425 3HG1 VAL 56 HG11 VAL 56 -21.212 -11.548 -9.145 426 1HG2 VAL 56 HG22 VAL 56 -20.529 -10.571 -5.402 427 2HG2 VAL 56 HG21 VAL 56 -19.001 -10.011 -6.085 428 3HG2 VAL 56 HG23 VAL 56 -20.528 -9.391 -6.715 429 H SER 57 HN SER 57 -21.737 -14.353 -7.119 430 HA SER 57 HA SER 57 -20.244 -16.256 -8.699 431 1HB SER 57 HB2 SER 57 -23.169 -16.481 -8.342 432 2HB SER 57 HB1 SER 57 -21.922 -17.702 -8.232 433 HG SER 57 HG SER 57 -23.100 -16.356 -6.246 434 H LEU 58 HN LEU 58 -20.394 -16.611 -10.817 435 HA LEU 58 HA LEU 58 -22.234 -14.972 -12.474 436 1HB LEU 58 HB2 LEU 58 -19.400 -15.850 -13.098 437 2HB LEU 58 HB1 LEU 58 -20.481 -15.055 -14.236 438 HG LEU 58 HG LEU 58 -19.559 -13.888 -11.613 439 1HD1 LEU 58 HD22 LEU 58 -18.625 -13.438 -14.450 440 2HD1 LEU 58 HD21 LEU 58 -18.262 -12.335 -13.123 441 3HD1 LEU 58 HD23 LEU 58 -17.677 -13.999 -13.074 442 1HD2 LEU 58 HD12 LEU 58 -21.444 -12.969 -13.740 443 2HD2 LEU 58 HD11 LEU 58 -21.516 -12.758 -11.990 444 3HD2 LEU 58 HD13 LEU 58 -20.419 -11.767 -12.950 445 H LYS 59 HN LYS 59 -23.209 -17.259 -11.555 446 HA LYS 59 HA LYS 59 -22.609 -19.516 -13.286 447 1HB LYS 59 HB2 LYS 59 -23.581 -19.310 -10.741 448 2HB LYS 59 HB1 LYS 59 -25.073 -19.577 -11.630 449 1HG LYS 59 HG2 LYS 59 -22.621 -21.329 -11.859 450 2HG LYS 59 HG1 LYS 59 -23.990 -21.669 -10.806 451 1HD LYS 59 HD2 LYS 59 -25.314 -21.313 -13.123 452 2HD LYS 59 HD1 LYS 59 -23.768 -21.855 -13.775 453 1HE LYS 59 HE2 LYS 59 -25.232 -23.767 -13.468 454 2HE LYS 59 HE1 LYS 59 -23.891 -23.869 -12.330 455 1HZ LYS 59 HZ3 LYS 59 -25.914 -22.461 -11.054 456 2HZ LYS 59 HZ2 LYS 59 -26.675 -23.778 -11.825 457 3HZ LYS 59 HZ1 LYS 59 -25.390 -24.050 -10.733 458 H GLU 60 HN GLU 60 -23.068 -18.822 -15.357 459 HA GLU 60 HA GLU 60 -24.286 -18.440 -17.242 460 1HB GLU 60 HB2 GLU 60 -26.656 -19.337 -15.580 461 2HB GLU 60 HB1 GLU 60 -26.604 -19.207 -17.336 462 1HG GLU 60 HG2 GLU 60 -24.639 -20.843 -17.252 463 2HG GLU 60 HG1 GLU 60 -25.085 -21.128 -15.570 464 H ALA 61 HN ALA 61 -23.592 -16.246 -16.106 465 HA ALA 61 HA ALA 61 -25.789 -14.479 -15.407 466 1HB ALA 61 HB2 ALA 61 -23.575 -14.208 -14.354 467 2HB ALA 61 HB1 ALA 61 -22.858 -13.866 -15.931 468 3HB ALA 61 HB3 ALA 61 -24.042 -12.754 -15.238 469 H ILE 62 HN ILE 62 -26.713 -12.941 -16.681 470 HA ILE 62 HA ILE 62 -26.312 -13.166 -19.567 471 HB ILE 62 HB ILE 62 -28.295 -11.525 -17.976 472 1HG1 ILE 62 HG12 ILE 62 -28.580 -13.961 -17.666 473 2HG1 ILE 62 HG11 ILE 62 -29.926 -13.237 -18.533 474 1HG2 ILE 62 HG23 ILE 62 -27.747 -11.810 -20.873 475 2HG2 ILE 62 HG22 ILE 62 -29.443 -11.840 -20.393 476 3HG2 ILE 62 HG21 ILE 62 -28.432 -10.452 -19.974 477 1HD1 ILE 62 HD11 ILE 62 -28.786 -13.973 -20.687 478 2HD1 ILE 62 HD13 ILE 62 -27.684 -14.908 -19.673 479 3HD1 ILE 62 HD12 ILE 62 -29.408 -15.268 -19.664 480 H CYS 63 HN CYS 63 -25.304 -11.703 -20.786 481 HA CYS 63 HA CYS 63 -24.572 -9.083 -19.639 482 1HB CYS 63 HB2 CYS 63 -22.740 -10.984 -19.636 483 2HB CYS 63 HB1 CYS 63 -22.610 -10.579 -21.341 484 HG CYS 63 HG CYS 63 -22.375 -8.143 -19.517 485 H GLU 64 HN GLU 64 -24.560 -7.402 -21.101 486 HA GLU 64 HA GLU 64 -25.100 -7.983 -23.944 487 1HB GLU 64 HB2 GLU 64 -27.058 -7.091 -22.071 488 2HB GLU 64 HB1 GLU 64 -26.686 -5.726 -23.116 489 1HG GLU 64 HG2 GLU 64 -27.242 -8.460 -24.266 490 2HG GLU 64 HG1 GLU 64 -28.555 -7.365 -23.843 491 H VAL 65 HN VAL 65 -24.542 -6.281 -25.356 492 HA VAL 65 HA VAL 65 -22.350 -4.620 -24.403 493 HB VAL 65 HB VAL 65 -23.566 -4.718 -27.174 494 1HG1 VAL 65 HG11 VAL 65 -21.041 -3.611 -26.013 495 2HG1 VAL 65 HG13 VAL 65 -21.061 -4.173 -27.688 496 3HG1 VAL 65 HG12 VAL 65 -22.154 -2.885 -27.174 497 1HG2 VAL 65 HG23 VAL 65 -21.345 -6.414 -26.027 498 2HG2 VAL 65 HG22 VAL 65 -22.927 -6.985 -26.553 499 3HG2 VAL 65 HG21 VAL 65 -21.791 -6.334 -27.732 500 H ALA 66 HN ALA 66 -22.404 -2.464 -24.074 501 HA ALA 66 HA ALA 66 -24.978 -1.050 -24.454 502 1HB ALA 66 HB3 ALA 66 -24.014 -1.377 -22.095 503 2HB ALA 66 HB2 ALA 66 -22.822 -0.177 -22.561 504 3HB ALA 66 HB1 ALA 66 -24.529 0.240 -22.566 505 H LEU 67 HN LEU 67 -24.797 -0.238 -26.386 506 HA LEU 67 HA LEU 67 -22.592 1.643 -27.024 507 1HB LEU 67 HB2 LEU 67 -23.940 -0.469 -28.609 508 2HB LEU 67 HB1 LEU 67 -23.760 1.070 -29.435 509 HG LEU 67 HG LEU 67 -21.486 -0.356 -28.063 510 1HD1 LEU 67 HD11 LEU 67 -22.264 -0.409 -30.980 511 2HD1 LEU 67 HD13 LEU 67 -20.757 -1.035 -30.318 512 3HD1 LEU 67 HD12 LEU 67 -22.293 -1.771 -29.860 513 1HD2 LEU 67 HD21 LEU 67 -21.747 2.132 -29.681 514 2HD2 LEU 67 HD23 LEU 67 -20.726 1.792 -28.280 515 3HD2 LEU 67 HD22 LEU 67 -20.282 1.169 -29.869 516 H ASP 68 HN ASP 68 -25.173 1.831 -25.539 517 HA ASP 68 HA ASP 68 -26.439 4.079 -26.979 518 1HB ASP 68 HB2 ASP 68 -28.613 3.397 -26.162 519 2HB ASP 68 HB1 ASP 68 -27.895 2.031 -27.005 520 H TYR 69 HN TYR 69 -25.575 2.543 -23.943 521 HA TYR 69 HA TYR 69 -26.359 4.714 -22.248 522 1HB TYR 69 HB2 TYR 69 -26.110 2.184 -21.683 523 2HB TYR 69 HB1 TYR 69 -24.408 2.564 -21.457 524 HD1 TYR 69 HD1 TYR 69 -27.821 3.368 -20.297 525 HD2 TYR 69 HD2 TYR 69 -23.635 3.706 -19.543 526 HE1 TYR 69 HE1 TYR 69 -28.300 4.163 -18.014 527 HE2 TYR 69 HE2 TYR 69 -24.112 4.516 -17.267 528 HH TYR 69 HH TYR 69 -26.023 4.277 -15.590 529 H LYS 70 HN LYS 70 -25.315 6.600 -22.834 530 HA LYS 70 HA LYS 70 -23.689 8.191 -22.866 531 1HB LYS 70 HB2 LYS 70 -21.942 6.240 -21.350 532 2HB LYS 70 HB1 LYS 70 -21.815 7.993 -21.381 533 1HG LYS 70 HG2 LYS 70 -24.248 6.550 -20.309 534 2HG LYS 70 HG1 LYS 70 -22.875 6.998 -19.305 535 1HD LYS 70 HD2 LYS 70 -23.211 9.327 -19.723 536 2HD LYS 70 HD1 LYS 70 -24.395 8.999 -20.983 537 1HE LYS 70 HE2 LYS 70 -26.084 8.667 -19.511 538 2HE LYS 70 HE1 LYS 70 -25.050 7.856 -18.340 539 1HZ LYS 70 HZ3 LYS 70 -24.569 10.700 -18.690 540 2HZ LYS 70 HZ2 LYS 70 -26.062 10.274 -17.985 541 3HZ LYS 70 HZ1 LYS 70 -24.599 9.755 -17.271 542 H LYS 71 HN LYS 71 -21.277 8.569 -23.470 543 HA LYS 71 HA LYS 71 -20.441 6.717 -25.620 544 1HB LYS 71 HB2 LYS 71 -21.691 8.874 -26.373 545 2HB LYS 71 HB1 LYS 71 -20.205 9.707 -25.927 546 1HG LYS 71 HG2 LYS 71 -18.952 8.181 -27.445 547 2HG LYS 71 HG1 LYS 71 -20.482 7.446 -27.924 548 1HD LYS 71 HD2 LYS 71 -21.195 9.858 -28.545 549 2HD LYS 71 HD1 LYS 71 -19.475 10.229 -28.465 550 1HE LYS 71 HE2 LYS 71 -19.889 9.707 -30.741 551 2HE LYS 71 HE1 LYS 71 -19.117 8.277 -30.065 552 1HZ LYS 71 HZ3 LYS 71 -21.980 8.223 -29.827 553 2HZ LYS 71 HZ2 LYS 71 -21.449 8.319 -31.444 554 3HZ LYS 71 HZ1 LYS 71 -20.915 7.046 -30.445 555 H LYS 72 HN LYS 72 -18.982 5.926 -24.019 556 HA LYS 72 HA LYS 72 -16.513 7.517 -23.829 557 1HB LYS 72 HB2 LYS 72 -17.951 6.184 -21.518 558 2HB LYS 72 HB1 LYS 72 -16.241 6.598 -21.462 559 1HG LYS 72 HG2 LYS 72 -16.931 8.982 -22.057 560 2HG LYS 72 HG1 LYS 72 -18.586 8.482 -21.728 561 1HD LYS 72 HD2 LYS 72 -18.006 9.302 -19.659 562 2HD LYS 72 HD1 LYS 72 -17.535 7.615 -19.464 563 1HE LYS 72 HE2 LYS 72 -15.204 8.382 -20.301 564 2HE LYS 72 HE1 LYS 72 -15.780 10.011 -19.965 565 1HZ LYS 72 HZ2 LYS 72 -16.392 8.946 -17.676 566 2HZ LYS 72 HZ1 LYS 72 -15.182 7.829 -18.108 567 3HZ LYS 72 HZ3 LYS 72 -14.809 9.488 -17.992 568 H LYS 73 HN LYS 73 -16.175 6.060 -25.657 569 HA LYS 73 HA LYS 73 -14.977 4.389 -26.609 570 1HB LYS 73 HB2 LYS 73 -14.537 3.261 -23.828 571 2HB LYS 73 HB1 LYS 73 -13.671 2.823 -25.291 572 1HG LYS 73 HG2 LYS 73 -13.615 5.495 -23.869 573 2HG LYS 73 HG1 LYS 73 -12.300 4.338 -24.007 574 1HD LYS 73 HD2 LYS 73 -13.531 5.949 -26.253 575 2HD LYS 73 HD1 LYS 73 -11.930 6.160 -25.560 576 1HE LYS 73 HE2 LYS 73 -12.902 3.757 -27.128 577 2HE LYS 73 HE1 LYS 73 -11.756 4.975 -27.676 578 1HZ LYS 73 HZ2 LYS 73 -10.288 4.281 -25.830 579 2HZ LYS 73 HZ1 LYS 73 -11.367 3.006 -25.490 580 3HZ LYS 73 HZ3 LYS 73 -10.556 3.060 -26.984 581 H HIS 74 HN HIS 74 -16.109 2.327 -23.996 582 HA HIS 74 HA HIS 74 -18.409 1.363 -25.454 583 1HB HIS 74 HB2 HIS 74 -15.804 -0.061 -25.581 584 2HB HIS 74 HB1 HIS 74 -17.187 -1.070 -25.185 585 HD1 HIS 74 HD1 HIS 74 -15.446 0.346 -28.011 586 HD2 HIS 74 HD2 HIS 74 -19.342 -0.823 -27.237 587 HE1 HIS 74 HE1 HIS 74 -16.496 0.048 -30.266 588 H VAL 75 HN VAL 75 -19.886 0.633 -24.054 589 HA VAL 75 HA VAL 75 -19.022 -0.100 -21.300 590 HB VAL 75 HB VAL 75 -21.536 1.321 -22.242 591 1HG1 VAL 75 HG11 VAL 75 -20.790 0.310 -19.498 592 2HG1 VAL 75 HG13 VAL 75 -22.037 1.525 -19.775 593 3HG1 VAL 75 HG12 VAL 75 -22.222 -0.095 -20.444 594 1HG2 VAL 75 HG23 VAL 75 -19.184 2.507 -21.894 595 2HG2 VAL 75 HG22 VAL 75 -20.703 3.278 -21.446 596 3HG2 VAL 75 HG21 VAL 75 -19.718 2.492 -20.212 597 H PHE 76 HN PHE 76 -20.421 -1.745 -20.284 598 HA PHE 76 HA PHE 76 -22.148 -3.257 -22.089 599 1HB PHE 76 HB2 PHE 76 -21.129 -5.396 -21.661 600 2HB PHE 76 HB1 PHE 76 -19.965 -4.317 -22.402 601 HD1 PHE 76 HD1 PHE 76 -18.037 -3.477 -21.130 602 HD2 PHE 76 HD2 PHE 76 -20.814 -6.243 -19.435 603 HE1 PHE 76 HE1 PHE 76 -16.405 -4.041 -19.367 604 HE2 PHE 76 HE2 PHE 76 -19.185 -6.799 -17.668 605 HZ PHE 76 HZ PHE 76 -16.978 -5.699 -17.636 606 H LYS 77 HN LYS 77 -23.754 -4.355 -21.094 607 HA LYS 77 HA LYS 77 -24.230 -3.605 -18.292 608 1HB LYS 77 HB2 LYS 77 -26.318 -4.889 -20.011 609 2HB LYS 77 HB1 LYS 77 -26.483 -3.635 -18.786 610 1HG LYS 77 HG2 LYS 77 -25.267 -2.071 -20.366 611 2HG LYS 77 HG1 LYS 77 -25.415 -3.319 -21.600 612 1HD LYS 77 HD2 LYS 77 -27.869 -3.232 -21.403 613 2HD LYS 77 HD1 LYS 77 -27.721 -1.967 -20.180 614 1HE LYS 77 HE2 LYS 77 -26.527 -0.555 -21.874 615 2HE LYS 77 HE1 LYS 77 -26.838 -1.797 -23.080 616 1HZ LYS 77 HZ3 LYS 77 -28.905 -0.288 -21.573 617 2HZ LYS 77 HZ2 LYS 77 -28.435 0.000 -23.193 618 3HZ LYS 77 HZ1 LYS 77 -29.201 -1.461 -22.769 619 H LEU 78 HN LEU 78 -24.191 -5.036 -16.710 620 HA LEU 78 HA LEU 78 -24.024 -7.922 -17.358 621 1HB LEU 78 HB2 LEU 78 -22.261 -6.266 -15.928 622 2HB LEU 78 HB1 LEU 78 -23.085 -7.212 -14.700 623 HG LEU 78 HG LEU 78 -21.451 -8.186 -17.021 624 1HD1 LEU 78 HD23 LEU 78 -21.246 -8.325 -14.029 625 2HD1 LEU 78 HD22 LEU 78 -20.401 -9.482 -15.050 626 3HD1 LEU 78 HD21 LEU 78 -20.053 -7.761 -15.200 627 1HD2 LEU 78 HD13 LEU 78 -23.684 -9.541 -15.709 628 2HD2 LEU 78 HD12 LEU 78 -22.842 -9.935 -17.207 629 3HD2 LEU 78 HD11 LEU 78 -22.179 -10.458 -15.657 630 H ARG 79 HN ARG 79 -25.785 -9.016 -16.835 631 HA ARG 79 HA ARG 79 -27.426 -8.173 -14.516 632 1HB ARG 79 HB2 ARG 79 -28.222 -9.449 -17.141 633 2HB ARG 79 HB1 ARG 79 -29.286 -9.344 -15.742 634 1HG ARG 79 HG2 ARG 79 -28.818 -6.838 -15.756 635 2HG ARG 79 HG1 ARG 79 -28.089 -7.085 -17.337 636 1HD ARG 79 HD2 ARG 79 -30.322 -6.408 -17.764 637 2HD ARG 79 HD1 ARG 79 -30.289 -8.147 -18.053 638 HE ARG 79 HE ARG 79 -31.450 -6.826 -15.646 639 1HH1 ARG 79 HH11 ARG 79 -31.265 -9.301 -14.497 640 2HH1 ARG 79 HH12 ARG 79 -32.492 -10.319 -15.207 641 1HH2 ARG 79 HH21 ARG 79 -32.917 -8.276 -18.053 642 2HH2 ARG 79 HH22 ARG 79 -33.460 -9.724 -17.231 643 H LEU 80 HN LEU 80 -26.462 -9.395 -13.007 644 HA LEU 80 HA LEU 80 -25.529 -12.056 -13.338 645 1HB LEU 80 HB2 LEU 80 -26.264 -10.670 -10.758 646 2HB LEU 80 HB1 LEU 80 -25.186 -12.045 -10.946 647 HG LEU 80 HG LEU 80 -24.740 -9.198 -11.806 648 1HD1 LEU 80 HD12 LEU 80 -23.137 -11.112 -10.118 649 2HD1 LEU 80 HD11 LEU 80 -22.670 -9.455 -10.503 650 3HD1 LEU 80 HD13 LEU 80 -24.104 -9.761 -9.523 651 1HD2 LEU 80 HD22 LEU 80 -23.404 -11.693 -12.796 652 2HD2 LEU 80 HD21 LEU 80 -23.950 -10.287 -13.709 653 3HD2 LEU 80 HD23 LEU 80 -22.511 -10.176 -12.700 654 H SER 81 HN SER 81 -26.282 -13.966 -12.306 655 HA SER 81 HA SER 81 -29.084 -14.449 -12.712 656 1HB SER 81 HB2 SER 81 -27.279 -16.437 -11.386 657 2HB SER 81 HB1 SER 81 -28.554 -16.691 -12.580 658 HG SER 81 HG SER 81 -26.364 -16.911 -13.419 659 H ASP 82 HN ASP 82 -28.354 -12.599 -10.511 660 HA ASP 82 HA ASP 82 -29.963 -13.863 -8.389 661 1HB ASP 82 HB2 ASP 82 -27.438 -13.936 -7.870 662 2HB ASP 82 HB1 ASP 82 -27.543 -12.185 -7.702 663 H GLY 83 HN GLY 83 -30.360 -11.815 -10.564 664 1HA GLY 83 HA2 GLY 83 -31.880 -10.065 -10.691 665 2HA GLY 83 HA1 GLY 83 -31.802 -9.880 -8.943 666 H ASN 84 HN ASN 84 -28.928 -9.658 -8.770 667 HA ASN 84 HA ASN 84 -28.467 -6.969 -8.761 668 1HB ASN 84 HB2 ASN 84 -26.409 -9.117 -9.319 669 2HB ASN 84 HB1 ASN 84 -26.057 -7.478 -8.797 670 1HD2 ASN 84 HD22 ASN 84 -26.315 -8.347 -5.441 671 2HD2 ASN 84 HD21 ASN 84 -25.612 -7.362 -6.686 672 H GLU 85 HN GLU 85 -28.212 -5.403 -10.210 673 HA GLU 85 HA GLU 85 -27.474 -6.057 -13.015 674 1HB GLU 85 HB2 GLU 85 -29.494 -4.099 -11.907 675 2HB GLU 85 HB1 GLU 85 -28.860 -3.982 -13.553 676 1HG GLU 85 HG2 GLU 85 -29.594 -6.455 -13.780 677 2HG GLU 85 HG1 GLU 85 -30.541 -6.160 -12.329 678 H TYR 86 HN TYR 86 -25.523 -5.251 -13.509 679 HA TYR 86 HA TYR 86 -24.725 -2.605 -12.435 680 1HB TYR 86 HB2 TYR 86 -22.784 -4.882 -12.838 681 2HB TYR 86 HB1 TYR 86 -22.480 -3.332 -12.071 682 HD1 TYR 86 HD1 TYR 86 -24.532 -3.044 -10.062 683 HD2 TYR 86 HD2 TYR 86 -22.490 -6.573 -11.330 684 HE1 TYR 86 HE1 TYR 86 -24.906 -4.055 -7.861 685 HE2 TYR 86 HE2 TYR 86 -22.877 -7.579 -9.117 686 HH TYR 86 HH TYR 86 -23.705 -5.857 -6.450 687 H LEU 87 HN LEU 87 -23.449 -1.354 -13.737 688 HA LEU 87 HA LEU 87 -23.235 -2.121 -16.595 689 1HB LEU 87 HB2 LEU 87 -23.231 0.634 -15.321 690 2HB LEU 87 HB1 LEU 87 -23.099 0.300 -17.043 691 HG LEU 87 HG LEU 87 -25.463 -0.208 -15.255 692 1HD1 LEU 87 HD13 LEU 87 -24.772 2.085 -16.446 693 2HD1 LEU 87 HD12 LEU 87 -25.655 1.331 -17.771 694 3HD1 LEU 87 HD11 LEU 87 -26.449 1.593 -16.215 695 1HD2 LEU 87 HD23 LEU 87 -24.861 -1.201 -18.011 696 2HD2 LEU 87 HD22 LEU 87 -25.566 -2.064 -16.643 697 3HD2 LEU 87 HD21 LEU 87 -26.526 -0.879 -17.529 698 H PHE 88 HN PHE 88 -21.199 -2.222 -17.460 699 HA PHE 88 HA PHE 88 -18.929 -1.330 -15.784 700 1HB PHE 88 HB2 PHE 88 -19.326 -3.897 -17.272 701 2HB PHE 88 HB1 PHE 88 -17.717 -3.312 -16.874 702 HD1 PHE 88 HD1 PHE 88 -17.084 -2.977 -14.473 703 HD2 PHE 88 HD2 PHE 88 -20.682 -4.940 -15.649 704 HE1 PHE 88 HE1 PHE 88 -17.298 -3.946 -12.213 705 HE2 PHE 88 HE2 PHE 88 -20.898 -5.906 -13.400 706 HZ PHE 88 HZ PHE 88 -19.131 -5.451 -11.691 707 H GLN 89 HN GLN 89 -17.295 -0.289 -16.768 708 HA GLN 89 HA GLN 89 -17.495 0.211 -19.688 709 1HB GLN 89 HB2 GLN 89 -17.696 2.133 -17.876 710 2HB GLN 89 HB1 GLN 89 -15.943 1.994 -17.859 711 1HG GLN 89 HG2 GLN 89 -15.868 2.367 -20.282 712 2HG GLN 89 HG1 GLN 89 -17.621 2.540 -20.308 713 1HE2 GLN 89 HE22 GLN 89 -17.510 5.631 -18.382 714 2HE2 GLN 89 HE21 GLN 89 -18.358 4.124 -18.436 715 H ALA 90 HN ALA 90 -15.819 -0.341 -20.929 716 HA ALA 90 HA ALA 90 -13.349 -1.373 -19.643 717 1HB ALA 90 HB3 ALA 90 -14.610 -3.043 -20.952 718 2HB ALA 90 HB2 ALA 90 -14.524 -1.997 -22.370 719 3HB ALA 90 HB1 ALA 90 -13.050 -2.693 -21.695 720 H LYS 91 HN LYS 91 -11.409 -1.168 -21.236 721 HA LYS 91 HA LYS 91 -10.994 1.640 -21.721 722 1HB LYS 91 HB2 LYS 91 -9.319 -0.811 -22.271 723 2HB LYS 91 HB1 LYS 91 -8.823 0.797 -22.787 724 1HG LYS 91 HG2 LYS 91 -8.020 1.216 -20.753 725 2HG LYS 91 HG1 LYS 91 -9.632 1.026 -20.078 726 1HD LYS 91 HD2 LYS 91 -8.511 -1.569 -20.601 727 2HD LYS 91 HD1 LYS 91 -7.362 -0.616 -19.667 728 1HE LYS 91 HE2 LYS 91 -8.989 -0.214 -17.941 729 2HE LYS 91 HE1 LYS 91 -10.281 -0.905 -18.923 730 1HZ LYS 91 HZ3 LYS 91 -7.929 -2.512 -18.137 731 2HZ LYS 91 HZ2 LYS 91 -9.280 -2.341 -17.103 732 3HZ LYS 91 HZ1 LYS 91 -9.469 -3.041 -18.642 733 H ASP 92 HN ASP 92 -11.349 -1.203 -23.844 734 HA ASP 92 HA ASP 92 -12.386 0.562 -25.938 735 1HB ASP 92 HB2 ASP 92 -9.723 -0.054 -26.043 736 2HB ASP 92 HB1 ASP 92 -10.406 -1.360 -27.008 737 H ASP 93 HN ASP 93 -12.571 -1.060 -28.024 738 HA ASP 93 HA ASP 93 -14.844 -2.649 -27.481 739 1HB ASP 93 HB2 ASP 93 -14.453 -1.539 -29.627 740 2HB ASP 93 HB1 ASP 93 -13.053 -2.565 -29.924 741 H GLU 94 HN GLU 94 -11.492 -3.583 -28.264 742 HA GLU 94 HA GLU 94 -11.810 -6.356 -28.374 743 1HB GLU 94 HB2 GLU 94 -9.390 -4.889 -27.297 744 2HB GLU 94 HB1 GLU 94 -9.429 -6.514 -27.972 745 1HG GLU 94 HG2 GLU 94 -8.798 -5.482 -29.887 746 2HG GLU 94 HG1 GLU 94 -10.513 -5.111 -30.033 747 H GLU 95 HN GLU 95 -10.888 -4.379 -25.546 748 HA GLU 95 HA GLU 95 -10.822 -6.509 -23.676 749 1HB GLU 95 HB2 GLU 95 -9.972 -4.015 -23.532 750 2HB GLU 95 HB1 GLU 95 -11.554 -3.742 -22.819 751 1HG GLU 95 HG2 GLU 95 -10.878 -5.858 -21.365 752 2HG GLU 95 HG1 GLU 95 -9.246 -5.355 -21.797 753 H MET 96 HN MET 96 -13.397 -4.191 -24.517 754 HA MET 96 HA MET 96 -15.334 -4.840 -22.635 755 1HB MET 96 HB2 MET 96 -15.633 -2.961 -24.092 756 2HB MET 96 HB1 MET 96 -15.613 -3.985 -25.520 757 1HG MET 96 HG2 MET 96 -17.689 -4.560 -23.466 758 2HG MET 96 HG1 MET 96 -17.882 -3.086 -24.402 759 1HE MET 96 HE1 MET 96 -18.459 -2.967 -26.916 760 2HE MET 96 HE3 MET 96 -16.887 -3.683 -27.293 761 3HE MET 96 HE2 MET 96 -18.351 -4.324 -28.032 762 H ASN 97 HN ASN 97 -14.984 -6.253 -25.897 763 HA ASN 97 HA ASN 97 -17.021 -8.192 -25.637 764 1HB ASN 97 HB2 ASN 97 -16.169 -7.527 -27.802 765 2HB ASN 97 HB1 ASN 97 -14.566 -8.141 -27.409 766 1HD2 ASN 97 HD22 ASN 97 -15.286 -11.386 -28.460 767 2HD2 ASN 97 HD21 ASN 97 -14.122 -10.178 -28.013 768 H THR 98 HN THR 98 -13.557 -8.320 -24.854 769 HA THR 98 HA THR 98 -13.369 -11.097 -24.326 770 HB THR 98 HB THR 98 -11.760 -8.834 -23.112 771 HG1 THR 98 HG1 THR 98 -11.418 -8.644 -25.246 772 1HG2 THR 98 HG21 THR 98 -11.303 -11.806 -23.305 773 2HG2 THR 98 HG23 THR 98 -9.974 -10.667 -23.078 774 3HG2 THR 98 HG22 THR 98 -11.257 -10.777 -21.872 775 H TRP 99 HN TRP 99 -14.137 -8.335 -22.202 776 HA TRP 99 HA TRP 99 -14.349 -9.809 -19.768 777 1HB TRP 99 HB2 TRP 99 -15.335 -7.121 -20.704 778 2HB TRP 99 HB1 TRP 99 -15.897 -7.770 -19.170 779 HD1 TRP 99 HD1 TRP 99 -13.184 -5.685 -20.550 780 HE1 TRP 99 HE1 TRP 99 -11.315 -5.403 -18.831 781 HE3 TRP 99 HE3 TRP 99 -14.483 -9.350 -17.202 782 HZ2 TRP 99 HZ2 TRP 99 -10.472 -6.542 -16.409 783 HZ3 TRP 99 HZ3 TRP 99 -13.088 -9.690 -15.201 784 HH2 TRP 99 HH2 TRP 99 -11.110 -8.298 -14.801 785 H ILE 100 HN ILE 100 -16.776 -8.738 -22.142 786 HA ILE 100 HA ILE 100 -19.103 -9.698 -20.918 787 HB ILE 100 HB ILE 100 -18.358 -9.244 -23.799 788 1HG1 ILE 100 HG12 ILE 100 -20.216 -7.765 -21.928 789 2HG1 ILE 100 HG11 ILE 100 -18.564 -7.289 -22.296 790 1HG2 ILE 100 HG21 ILE 100 -20.941 -10.296 -22.686 791 2HG2 ILE 100 HG23 ILE 100 -20.924 -9.311 -24.148 792 3HG2 ILE 100 HG22 ILE 100 -20.038 -10.834 -24.102 793 1HD1 ILE 100 HD11 ILE 100 -19.321 -7.319 -24.765 794 2HD1 ILE 100 HD13 ILE 100 -20.956 -7.301 -24.104 795 3HD1 ILE 100 HD12 ILE 100 -19.848 -5.977 -23.748 796 H GLN 101 HN GLN 101 -17.229 -11.287 -23.524 797 HA GLN 101 HA GLN 101 -18.671 -13.704 -23.512 798 1HB GLN 101 HB2 GLN 101 -15.847 -13.106 -24.402 799 2HB GLN 101 HB1 GLN 101 -16.694 -14.612 -24.741 800 1HG GLN 101 HG2 GLN 101 -17.735 -11.883 -25.548 801 2HG GLN 101 HG1 GLN 101 -16.770 -12.906 -26.603 802 1HE2 GLN 101 HE22 GLN 101 -20.570 -13.401 -26.920 803 2HE2 GLN 101 HE21 GLN 101 -19.630 -11.958 -26.706 804 H ALA 102 HN ALA 102 -15.882 -12.690 -21.587 805 HA ALA 102 HA ALA 102 -15.214 -15.256 -20.556 806 1HB ALA 102 HB3 ALA 102 -14.723 -12.477 -19.453 807 2HB ALA 102 HB2 ALA 102 -14.037 -13.952 -18.764 808 3HB ALA 102 HB1 ALA 102 -13.611 -13.464 -20.404 809 H ILE 103 HN ILE 103 -17.100 -12.574 -19.135 810 HA ILE 103 HA ILE 103 -17.913 -13.901 -16.776 811 HB ILE 103 HB ILE 103 -19.193 -11.660 -18.349 812 1HG1 ILE 103 HG12 ILE 103 -17.811 -11.301 -15.726 813 2HG1 ILE 103 HG11 ILE 103 -16.832 -11.507 -17.174 814 1HG2 ILE 103 HG22 ILE 103 -20.226 -13.093 -16.042 815 2HG2 ILE 103 HG21 ILE 103 -19.994 -11.383 -15.703 816 3HG2 ILE 103 HG23 ILE 103 -21.001 -11.879 -17.063 817 1HD1 ILE 103 HD11 ILE 103 -18.428 -9.656 -18.156 818 2HD1 ILE 103 HD13 ILE 103 -18.698 -9.283 -16.454 819 3HD1 ILE 103 HD12 ILE 103 -17.069 -9.205 -17.126 820 H SER 104 HN SER 104 -19.529 -13.586 -19.930 821 HA SER 104 HA SER 104 -21.916 -14.937 -19.235 822 1HB SER 104 HB2 SER 104 -20.684 -14.754 -21.988 823 2HB SER 104 HB1 SER 104 -22.383 -14.995 -21.583 824 HG SER 104 HG SER 104 -20.804 -12.665 -21.328 825 H SER 105 HN SER 105 -18.780 -16.185 -19.657 826 HA SER 105 HA SER 105 -19.785 -18.903 -20.272 827 1HB SER 105 HB2 SER 105 -16.951 -17.834 -20.375 828 2HB SER 105 HB1 SER 105 -17.479 -19.450 -20.851 829 HG SER 105 HG SER 105 -17.917 -16.965 -22.122 830 H ALA 106 HN ALA 106 -17.049 -17.581 -18.376 831 HA ALA 106 HA ALA 106 -17.847 -18.336 -15.822 832 1HB ALA 106 HB3 ALA 106 -16.512 -20.519 -17.403 833 2HB ALA 106 HB2 ALA 106 -16.250 -20.402 -15.662 834 3HB ALA 106 HB1 ALA 106 -17.878 -20.632 -16.294 No H/Q in entry = 834 Start of MODEL 3 1 1H MET 1 HT2 MET 1 -8.256 -14.071 -14.815 2 2H MET 1 HT1 MET 1 -9.634 -14.788 -15.519 3 3H MET 1 HT3 MET 1 -8.144 -14.822 -16.339 4 HA MET 1 HA MET 1 -8.272 -12.683 -17.011 5 1HB MET 1 HB2 MET 1 -10.549 -14.129 -17.434 6 2HB MET 1 HB1 MET 1 -11.216 -12.707 -16.644 7 1HG MET 1 HG2 MET 1 -9.279 -12.440 -18.932 8 2HG MET 1 HG1 MET 1 -10.987 -12.721 -19.223 9 1HE MET 1 HE1 MET 1 -8.217 -10.408 -18.199 10 2HE MET 1 HE3 MET 1 -8.802 -9.916 -19.792 11 3HE MET 1 HE2 MET 1 -8.946 -8.823 -18.415 12 H GLU 2 HN GLU 2 -7.566 -10.994 -15.893 13 HA GLU 2 HA GLU 2 -9.299 -9.777 -13.824 14 1HB GLU 2 HB2 GLU 2 -6.299 -9.980 -13.502 15 2HB GLU 2 HB1 GLU 2 -7.489 -9.458 -12.319 16 1HG GLU 2 HG2 GLU 2 -7.233 -11.566 -11.515 17 2HG GLU 2 HG1 GLU 2 -8.394 -11.967 -12.773 18 H GLY 3 HN GLY 3 -8.999 -7.515 -13.578 19 1HA GLY 3 HA2 GLY 3 -7.107 -5.877 -14.733 20 2HA GLY 3 HA1 GLY 3 -8.317 -6.127 -15.990 21 H PHE 4 HN PHE 4 -7.961 -3.618 -15.206 22 HA PHE 4 HA PHE 4 -9.728 -2.817 -13.053 23 1HB PHE 4 HB2 PHE 4 -8.111 -1.363 -15.119 24 2HB PHE 4 HB1 PHE 4 -9.335 -0.505 -14.197 25 HD1 PHE 4 HD1 PHE 4 -9.173 -0.460 -11.674 26 HD2 PHE 4 HD2 PHE 4 -6.010 -1.869 -14.182 27 HE1 PHE 4 HE1 PHE 4 -7.582 -0.193 -9.815 28 HE2 PHE 4 HE2 PHE 4 -4.425 -1.608 -12.313 29 HZ PHE 4 HZ PHE 4 -5.241 -0.739 -10.112 30 H LEU 5 HN LEU 5 -11.707 -1.801 -13.268 31 HA LEU 5 HA LEU 5 -13.008 -1.556 -15.871 32 1HB LEU 5 HB2 LEU 5 -13.473 -3.807 -14.024 33 2HB LEU 5 HB1 LEU 5 -14.941 -2.972 -14.501 34 HG LEU 5 HG LEU 5 -12.888 -4.140 -16.386 35 1HD1 LEU 5 HD11 LEU 5 -15.545 -5.113 -15.387 36 2HD1 LEU 5 HD13 LEU 5 -14.890 -5.654 -16.930 37 3HD1 LEU 5 HD12 LEU 5 -14.001 -5.962 -15.436 38 1HD2 LEU 5 HD21 LEU 5 -15.328 -2.472 -16.804 39 2HD2 LEU 5 HD23 LEU 5 -13.803 -2.482 -17.692 40 3HD2 LEU 5 HD22 LEU 5 -14.990 -3.760 -17.959 41 H ASN 6 HN ASN 6 -14.846 -0.265 -15.806 42 HA ASN 6 HA ASN 6 -15.186 1.397 -13.409 43 1HB ASN 6 HB2 ASN 6 -15.216 1.977 -16.125 44 2HB ASN 6 HB1 ASN 6 -16.920 1.959 -15.706 45 1HD2 ASN 6 HD22 ASN 6 -15.316 5.346 -15.174 46 2HD2 ASN 6 HD21 ASN 6 -15.231 4.198 -16.471 47 H ARG 7 HN ARG 7 -16.591 0.641 -11.906 48 HA ARG 7 HA ARG 7 -18.813 -1.111 -12.792 49 1HB ARG 7 HB2 ARG 7 -17.330 -2.150 -11.202 50 2HB ARG 7 HB1 ARG 7 -17.425 -0.764 -10.122 51 1HG ARG 7 HG2 ARG 7 -19.613 -1.279 -9.440 52 2HG ARG 7 HG1 ARG 7 -19.914 -2.294 -10.847 53 1HD ARG 7 HD2 ARG 7 -19.632 -3.614 -8.766 54 2HD ARG 7 HD1 ARG 7 -18.415 -4.010 -9.979 55 HE ARG 7 HE ARG 7 -16.884 -2.478 -8.684 56 1HH1 ARG 7 HH21 ARG 7 -17.341 -1.333 -6.418 57 2HH1 ARG 7 HH22 ARG 7 -17.620 -2.501 -5.159 58 1HH2 ARG 7 HH11 ARG 7 -18.238 -5.165 -7.334 59 2HH2 ARG 7 HH12 ARG 7 -18.112 -4.677 -5.674 60 H LYS 8 HN LYS 8 -20.829 -0.444 -12.675 61 HA LYS 8 HA LYS 8 -21.613 1.762 -10.861 62 1HB LYS 8 HB2 LYS 8 -21.398 2.422 -13.330 63 2HB LYS 8 HB1 LYS 8 -22.772 1.372 -13.621 64 1HG LYS 8 HG2 LYS 8 -23.772 2.817 -11.587 65 2HG LYS 8 HG1 LYS 8 -22.632 3.995 -12.223 66 1HD LYS 8 HD2 LYS 8 -24.305 4.566 -13.623 67 2HD LYS 8 HD1 LYS 8 -23.829 3.129 -14.523 68 1HE LYS 8 HE2 LYS 8 -25.553 1.821 -13.517 69 2HE LYS 8 HE1 LYS 8 -25.875 3.050 -12.300 70 1HZ LYS 8 HZ2 LYS 8 -26.273 3.545 -15.196 71 2HZ LYS 8 HZ1 LYS 8 -27.500 2.909 -14.200 72 3HZ LYS 8 HZ3 LYS 8 -26.869 4.450 -13.875 73 H HIS 9 HN HIS 9 -22.952 0.840 -9.417 74 HA HIS 9 HA HIS 9 -24.468 -1.537 -10.109 75 1HB HIS 9 HB2 HIS 9 -25.116 -1.610 -7.760 76 2HB HIS 9 HB1 HIS 9 -23.380 -1.471 -7.935 77 HD1 HIS 9 HD1 HIS 9 -24.587 -0.800 -5.294 78 HD2 HIS 9 HD2 HIS 9 -24.058 2.057 -8.242 79 HE1 HIS 9 HE1 HIS 9 -24.525 1.382 -4.078 80 H GLU 10 HN GLU 10 -26.236 -1.302 -11.228 81 HA GLU 10 HA GLU 10 -27.846 1.110 -11.186 82 1HB GLU 10 HB2 GLU 10 -27.348 -0.228 -13.264 83 2HB GLU 10 HB1 GLU 10 -28.339 -1.525 -12.606 84 1HG GLU 10 HG2 GLU 10 -29.812 -0.386 -14.024 85 2HG GLU 10 HG1 GLU 10 -30.208 0.254 -12.432 86 H TRP 11 HN TRP 11 -28.364 -2.338 -10.426 87 HA TRP 11 HA TRP 11 -30.328 -1.600 -8.381 88 1HB TRP 11 HB2 TRP 11 -31.651 -1.823 -10.396 89 2HB TRP 11 HB1 TRP 11 -30.903 -3.363 -10.772 90 HD1 TRP 11 HD1 TRP 11 -33.372 -1.821 -8.184 91 HE1 TRP 11 HE1 TRP 11 -34.876 -3.718 -7.356 92 HE3 TRP 11 HE3 TRP 11 -31.161 -5.773 -10.545 93 HZ2 TRP 11 HZ2 TRP 11 -35.121 -6.506 -7.654 94 HZ3 TRP 11 HZ3 TRP 11 -32.074 -8.038 -10.238 95 HH2 TRP 11 HH2 TRP 11 -34.041 -8.399 -8.806 96 H GLU 12 HN GLU 12 -29.872 -2.689 -6.633 97 HA GLU 12 HA GLU 12 -29.288 -5.505 -6.598 98 1HB GLU 12 HB2 GLU 12 -27.121 -5.162 -5.294 99 2HB GLU 12 HB1 GLU 12 -27.041 -4.932 -7.035 100 1HG GLU 12 HG2 GLU 12 -26.923 -2.581 -6.834 101 2HG GLU 12 HG1 GLU 12 -27.470 -2.610 -5.159 102 H ALA 13 HN ALA 13 -31.385 -4.267 -5.656 103 HA ALA 13 HA ALA 13 -31.574 -4.939 -2.943 104 1HB ALA 13 HB2 ALA 13 -31.085 -2.014 -3.527 105 2HB ALA 13 HB1 ALA 13 -32.066 -2.507 -2.146 106 3HB ALA 13 HB3 ALA 13 -30.382 -3.013 -2.258 107 H HIS 14 HN HIS 14 -33.643 -5.536 -2.847 108 HA HIS 14 HA HIS 14 -35.529 -4.816 -4.889 109 1HB HIS 14 HB2 HIS 14 -35.850 -6.386 -2.321 110 2HB HIS 14 HB1 HIS 14 -37.097 -6.234 -3.552 111 HD1 HIS 14 HD1 HIS 14 -36.405 -9.018 -3.141 112 HD2 HIS 14 HD2 HIS 14 -34.045 -6.665 -5.599 113 HE1 HIS 14 HE1 HIS 14 -35.177 -10.635 -4.607 114 H ASN 15 HN ASN 15 -35.617 -2.514 -4.644 115 HA ASN 15 HA ASN 15 -37.840 -1.610 -3.130 116 1HB ASN 15 HB2 ASN 15 -35.916 -1.747 -1.371 117 2HB ASN 15 HB1 ASN 15 -35.277 -0.323 -2.183 118 1HD2 ASN 15 HD22 ASN 15 -38.297 0.049 0.427 119 2HD2 ASN 15 HD21 ASN 15 -37.391 -1.418 0.178 120 H LYS 16 HN LYS 16 -34.730 -0.227 -4.242 121 HA LYS 16 HA LYS 16 -36.005 1.141 -6.462 122 1HB LYS 16 HB2 LYS 16 -35.314 3.422 -5.646 123 2HB LYS 16 HB1 LYS 16 -36.598 2.688 -4.702 124 1HG LYS 16 HG2 LYS 16 -35.091 2.129 -2.920 125 2HG LYS 16 HG1 LYS 16 -33.685 2.535 -3.901 126 1HD LYS 16 HD2 LYS 16 -35.644 4.724 -3.596 127 2HD LYS 16 HD1 LYS 16 -34.874 4.223 -2.092 128 1HE LYS 16 HE2 LYS 16 -33.162 4.673 -4.513 129 2HE LYS 16 HE1 LYS 16 -33.779 6.071 -3.638 130 1HZ LYS 16 HZ2 LYS 16 -32.492 3.923 -2.110 131 2HZ LYS 16 HZ1 LYS 16 -31.512 4.998 -3.003 132 3HZ LYS 16 HZ3 LYS 16 -32.561 5.595 -1.796 133 H LYS 17 HN LYS 17 -34.146 2.868 -7.277 134 HA LYS 17 HA LYS 17 -31.950 1.275 -8.159 135 1HB LYS 17 HB2 LYS 17 -32.073 4.296 -8.231 136 2HB LYS 17 HB1 LYS 17 -31.230 3.220 -9.335 137 1HG LYS 17 HG2 LYS 17 -34.243 3.432 -9.049 138 2HG LYS 17 HG1 LYS 17 -33.294 4.187 -10.316 139 1HD LYS 17 HD2 LYS 17 -33.590 1.212 -9.833 140 2HD LYS 17 HD1 LYS 17 -34.324 2.135 -11.137 141 1HE LYS 17 HE2 LYS 17 -31.385 1.606 -10.715 142 2HE LYS 17 HE1 LYS 17 -32.397 0.980 -12.003 143 1HZ LYS 17 HZ1 LYS 17 -31.957 3.887 -11.635 144 2HZ LYS 17 HZ3 LYS 17 -30.891 2.920 -12.543 145 3HZ LYS 17 HZ2 LYS 17 -32.522 3.060 -13.018 146 H ALA 18 HN ALA 18 -29.658 1.867 -7.843 147 HA ALA 18 HA ALA 18 -29.086 2.613 -5.029 148 1HB ALA 18 HB1 ALA 18 -27.516 0.916 -6.994 149 2HB ALA 18 HB3 ALA 18 -26.978 1.340 -5.368 150 3HB ALA 18 HB2 ALA 18 -28.414 0.341 -5.585 151 H SER 19 HN SER 19 -28.253 4.595 -4.773 152 HA SER 19 HA SER 19 -26.612 5.779 -6.950 153 1HB SER 19 HB2 SER 19 -28.130 7.420 -4.937 154 2HB SER 19 HB1 SER 19 -27.554 7.878 -6.539 155 HG SER 19 HG SER 19 -29.155 6.027 -7.161 156 H SER 20 HN SER 20 -25.530 4.138 -4.823 157 HA SER 20 HA SER 20 -24.204 6.054 -3.019 158 1HB SER 20 HB2 SER 20 -23.906 3.045 -3.004 159 2HB SER 20 HB1 SER 20 -23.514 4.179 -1.717 160 HG SER 20 HG SER 20 -25.528 3.062 -1.377 161 H ARG 21 HN ARG 21 -22.983 7.024 -4.732 162 HA ARG 21 HA ARG 21 -21.051 7.428 -5.864 163 1HB ARG 21 HB2 ARG 21 -20.039 4.899 -4.541 164 2HB ARG 21 HB1 ARG 21 -19.056 6.060 -5.413 165 1HG ARG 21 HG2 ARG 21 -20.557 6.488 -2.827 166 2HG ARG 21 HG1 ARG 21 -18.817 6.523 -3.078 167 1HD ARG 21 HD2 ARG 21 -20.871 8.560 -3.933 168 2HD ARG 21 HD1 ARG 21 -19.468 8.794 -2.898 169 HE ARG 21 HE ARG 21 -19.499 9.126 -5.691 170 1HH1 ARG 21 HH11 ARG 21 -17.331 9.067 -3.127 171 2HH1 ARG 21 HH12 ARG 21 -15.952 8.543 -4.054 172 1HH2 ARG 21 HH21 ARG 21 -17.824 7.734 -6.921 173 2HH2 ARG 21 HH22 ARG 21 -16.230 7.759 -6.202 174 H SER 22 HN SER 22 -22.539 6.941 -7.676 175 HA SER 22 HA SER 22 -22.374 4.439 -9.076 176 1HB SER 22 HB2 SER 22 -23.218 7.151 -10.136 177 2HB SER 22 HB1 SER 22 -23.598 5.580 -10.837 178 HG SER 22 HG SER 22 -25.076 5.215 -9.325 179 H TRP 23 HN TRP 23 -21.041 3.828 -10.687 180 HA TRP 23 HA TRP 23 -19.297 3.711 -12.119 181 1HB TRP 23 HB2 TRP 23 -19.687 6.710 -12.218 182 2HB TRP 23 HB1 TRP 23 -18.380 5.920 -13.086 183 HD1 TRP 23 HD1 TRP 23 -21.767 7.069 -13.770 184 HE1 TRP 23 HE1 TRP 23 -22.837 5.740 -15.678 185 HE3 TRP 23 HE3 TRP 23 -18.489 3.161 -14.032 186 HZ2 TRP 23 HZ2 TRP 23 -22.362 3.333 -17.122 187 HZ3 TRP 23 HZ3 TRP 23 -18.834 1.390 -15.678 188 HH2 TRP 23 HH2 TRP 23 -20.750 1.471 -17.226 189 H HIS 24 HN HIS 24 -18.163 2.762 -10.510 190 HA HIS 24 HA HIS 24 -16.087 4.367 -9.138 191 1HB HIS 24 HB2 HIS 24 -17.946 3.050 -7.862 192 2HB HIS 24 HB1 HIS 24 -17.035 1.620 -8.326 193 HD1 HIS 24 HD1 HIS 24 -17.464 3.439 -5.501 194 HD2 HIS 24 HD2 HIS 24 -14.039 2.378 -7.560 195 HE1 HIS 24 HE1 HIS 24 -15.613 3.653 -3.827 196 H ASN 25 HN ASN 25 -14.099 4.063 -9.944 197 HA ASN 25 HA ASN 25 -13.443 1.984 -11.829 198 1HB ASN 25 HB2 ASN 25 -12.428 4.230 -11.946 199 2HB ASN 25 HB1 ASN 25 -11.665 3.974 -10.378 200 1HD2 ASN 25 HD22 ASN 25 -8.836 2.611 -11.874 201 2HD2 ASN 25 HD21 ASN 25 -9.572 3.578 -10.630 202 H VAL 26 HN VAL 26 -13.264 -0.068 -11.124 203 HA VAL 26 HA VAL 26 -11.656 -0.628 -8.701 204 HB VAL 26 HB VAL 26 -14.170 -0.703 -8.354 205 1HG1 VAL 26 HG11 VAL 26 -14.343 -1.982 -10.699 206 2HG1 VAL 26 HG13 VAL 26 -14.248 -3.381 -9.625 207 3HG1 VAL 26 HG12 VAL 26 -15.524 -2.188 -9.411 208 1HG2 VAL 26 HG23 VAL 26 -12.409 -1.927 -6.984 209 2HG2 VAL 26 HG22 VAL 26 -14.070 -2.509 -6.874 210 3HG2 VAL 26 HG21 VAL 26 -12.897 -3.378 -7.865 211 H TYR 27 HN TYR 27 -10.934 -2.893 -8.590 212 HA TYR 27 HA TYR 27 -10.102 -3.911 -11.237 213 1HB TYR 27 HB2 TYR 27 -8.439 -3.305 -9.394 214 2HB TYR 27 HB1 TYR 27 -9.040 -4.704 -8.518 215 HD1 TYR 27 HD1 TYR 27 -7.129 -3.562 -11.425 216 HD2 TYR 27 HD2 TYR 27 -8.535 -6.951 -9.249 217 HE1 TYR 27 HE1 TYR 27 -5.542 -4.997 -12.641 218 HE2 TYR 27 HE2 TYR 27 -6.953 -8.387 -10.465 219 HH TYR 27 HH TYR 27 -5.190 -7.299 -13.227 220 H CYS 28 HN CYS 28 -11.177 -5.641 -12.000 221 HA CYS 28 HA CYS 28 -12.739 -7.329 -10.131 222 1HB CYS 28 HB2 CYS 28 -13.017 -7.202 -13.130 223 2HB CYS 28 HB1 CYS 28 -14.159 -7.852 -11.959 224 HG CYS 28 HG CYS 28 -13.589 -4.817 -11.805 225 H VAL 29 HN VAL 29 -12.547 -9.532 -10.128 226 HA VAL 29 HA VAL 29 -10.516 -10.823 -11.850 227 HB VAL 29 HB VAL 29 -10.730 -11.075 -8.836 228 1HG1 VAL 29 HG13 VAL 29 -9.293 -12.696 -10.886 229 2HG1 VAL 29 HG12 VAL 29 -8.509 -12.419 -9.331 230 3HG1 VAL 29 HG11 VAL 29 -10.087 -13.206 -9.397 231 1HG2 VAL 29 HG23 VAL 29 -8.880 -9.590 -10.631 232 2HG2 VAL 29 HG22 VAL 29 -9.486 -9.175 -9.028 233 3HG2 VAL 29 HG21 VAL 29 -8.200 -10.367 -9.202 234 H ILE 30 HN ILE 30 -11.468 -12.512 -12.831 235 HA ILE 30 HA ILE 30 -13.984 -13.629 -11.861 236 HB ILE 30 HB ILE 30 -12.294 -14.500 -14.222 237 1HG1 ILE 30 HG12 ILE 30 -14.444 -12.396 -13.979 238 2HG1 ILE 30 HG11 ILE 30 -12.802 -12.207 -14.590 239 1HG2 ILE 30 HG21 ILE 30 -15.221 -14.944 -13.580 240 2HG2 ILE 30 HG23 ILE 30 -14.420 -15.424 -15.076 241 3HG2 ILE 30 HG22 ILE 30 -13.950 -16.172 -13.551 242 1HD1 ILE 30 HD12 ILE 30 -13.529 -13.929 -16.403 243 2HD1 ILE 30 HD11 ILE 30 -15.171 -13.489 -15.918 244 3HD1 ILE 30 HD13 ILE 30 -14.075 -12.258 -16.550 245 H ASN 31 HN ASN 31 -14.201 -15.464 -10.716 246 HA ASN 31 HA ASN 31 -11.915 -17.322 -10.447 247 1HB ASN 31 HB2 ASN 31 -11.885 -15.720 -8.549 248 2HB ASN 31 HB1 ASN 31 -13.529 -16.202 -8.135 249 1HD2 ASN 31 HD22 ASN 31 -12.335 -18.705 -6.051 250 2HD2 ASN 31 HD21 ASN 31 -13.444 -17.406 -6.356 251 H ASN 32 HN ASN 32 -13.030 -18.777 -11.769 252 HA ASN 32 HA ASN 32 -14.364 -20.556 -12.253 253 1HB ASN 32 HB2 ASN 32 -13.519 -21.159 -9.918 254 2HB ASN 32 HB1 ASN 32 -15.092 -20.660 -9.321 255 1HD2 ASN 32 HD22 ASN 32 -15.193 -24.317 -9.924 256 2HD2 ASN 32 HD21 ASN 32 -14.302 -23.219 -8.908 257 H GLN 33 HN GLN 33 -16.720 -20.357 -9.813 258 HA GLN 33 HA GLN 33 -18.676 -19.208 -11.710 259 1HB GLN 33 HB2 GLN 33 -18.725 -21.546 -10.238 260 2HB GLN 33 HB1 GLN 33 -19.715 -20.468 -9.265 261 1HG GLN 33 HG2 GLN 33 -21.201 -21.553 -10.767 262 2HG GLN 33 HG1 GLN 33 -20.993 -19.921 -11.398 263 1HE2 GLN 33 HE22 GLN 33 -19.656 -20.983 -14.451 264 2HE2 GLN 33 HE21 GLN 33 -20.273 -19.697 -13.459 265 H GLU 34 HN GLU 34 -16.797 -17.652 -10.022 266 HA GLU 34 HA GLU 34 -18.710 -15.797 -8.818 267 1HB GLU 34 HB2 GLU 34 -16.284 -16.862 -7.343 268 2HB GLU 34 HB1 GLU 34 -17.328 -15.560 -6.782 269 1HG GLU 34 HG2 GLU 34 -19.198 -17.083 -6.555 270 2HG GLU 34 HG1 GLU 34 -18.264 -18.396 -7.269 271 H MET 35 HN MET 35 -17.483 -13.773 -8.154 272 HA MET 35 HA MET 35 -14.989 -13.280 -9.562 273 1HB MET 35 HB2 MET 35 -15.771 -11.369 -10.814 274 2HB MET 35 HB1 MET 35 -16.744 -12.764 -11.258 275 1HG MET 35 HG2 MET 35 -18.569 -11.996 -9.862 276 2HG MET 35 HG1 MET 35 -17.597 -10.655 -9.268 277 1HE MET 35 HE3 MET 35 -19.898 -9.450 -9.873 278 2HE MET 35 HE2 MET 35 -20.298 -8.902 -11.499 279 3HE MET 35 HE1 MET 35 -20.675 -10.555 -11.018 280 H GLY 36 HN GLY 36 -13.776 -11.764 -8.548 281 1HA GLY 36 HA2 GLY 36 -14.915 -10.572 -6.083 282 2HA GLY 36 HA1 GLY 36 -13.254 -11.122 -6.247 283 H PHE 37 HN PHE 37 -14.501 -8.476 -5.601 284 HA PHE 37 HA PHE 37 -13.255 -6.799 -7.704 285 1HB PHE 37 HB2 PHE 37 -15.370 -6.072 -5.669 286 2HB PHE 37 HB1 PHE 37 -14.658 -4.977 -6.850 287 HD1 PHE 37 HD1 PHE 37 -14.939 -5.567 -9.341 288 HD2 PHE 37 HD2 PHE 37 -17.247 -7.350 -6.217 289 HE1 PHE 37 HE1 PHE 37 -16.635 -6.256 -10.985 290 HE2 PHE 37 HE2 PHE 37 -18.942 -8.037 -7.872 291 HZ PHE 37 HZ PHE 37 -18.640 -7.460 -10.262 292 H TYR 38 HN TYR 38 -11.500 -5.679 -7.170 293 HA TYR 38 HA TYR 38 -10.879 -5.122 -4.335 294 1HB TYR 38 HB2 TYR 38 -8.876 -6.291 -6.277 295 2HB TYR 38 HB1 TYR 38 -8.617 -5.921 -4.577 296 HD1 TYR 38 HD2 TYR 38 -10.153 -8.241 -6.942 297 HD2 TYR 38 HD1 TYR 38 -9.482 -7.364 -2.824 298 HE1 TYR 38 HE2 TYR 38 -10.848 -10.526 -6.352 299 HE2 TYR 38 HE1 TYR 38 -10.187 -9.647 -2.230 300 HH TYR 38 HH TYR 38 -10.355 -12.140 -4.347 301 H LYS 39 HN LYS 39 -8.773 -3.743 -4.273 302 HA LYS 39 HA LYS 39 -9.302 -1.293 -5.632 303 1HB LYS 39 HB2 LYS 39 -8.286 -1.460 -3.382 304 2HB LYS 39 HB1 LYS 39 -6.836 -2.143 -4.099 305 1HG LYS 39 HG2 LYS 39 -7.391 0.268 -5.501 306 2HG LYS 39 HG1 LYS 39 -7.567 0.620 -3.786 307 1HD LYS 39 HD2 LYS 39 -5.354 0.321 -3.353 308 2HD LYS 39 HD1 LYS 39 -5.186 -0.978 -4.529 309 1HE LYS 39 HE2 LYS 39 -5.314 0.733 -6.347 310 2HE LYS 39 HE1 LYS 39 -5.296 1.990 -5.114 311 1HZ LYS 39 HZ1 LYS 39 -3.141 0.999 -4.344 312 2HZ LYS 39 HZ3 LYS 39 -3.157 0.022 -5.743 313 3HZ LYS 39 HZ2 LYS 39 -3.095 1.725 -5.879 314 H ASP 40 HN ASP 40 -6.641 -3.654 -5.964 315 HA ASP 40 HA ASP 40 -6.386 -3.151 -8.795 316 1HB ASP 40 HB2 ASP 40 -4.037 -2.447 -8.759 317 2HB ASP 40 HB1 ASP 40 -5.062 -1.282 -7.943 318 H ALA 41 HN ALA 41 -4.036 -4.339 -9.387 319 HA ALA 41 HA ALA 41 -4.550 -7.089 -9.144 320 1HB ALA 41 HB3 ALA 41 -3.147 -6.060 -10.908 321 2HB ALA 41 HB2 ALA 41 -1.885 -5.770 -9.711 322 3HB ALA 41 HB1 ALA 41 -2.345 -7.424 -10.125 323 H LYS 42 HN LYS 42 -2.367 -5.025 -7.244 324 HA LYS 42 HA LYS 42 -1.178 -7.094 -5.690 325 1HB LYS 42 HB2 LYS 42 -1.420 -4.114 -5.392 326 2HB LYS 42 HB1 LYS 42 -0.809 -5.079 -4.054 327 1HG LYS 42 HG2 LYS 42 0.913 -6.037 -5.572 328 2HG LYS 42 HG1 LYS 42 0.341 -4.958 -6.845 329 1HD LYS 42 HD2 LYS 42 2.185 -3.827 -5.911 330 2HD LYS 42 HD1 LYS 42 0.781 -3.047 -5.187 331 1HE LYS 42 HE2 LYS 42 1.266 -5.063 -3.395 332 2HE LYS 42 HE1 LYS 42 2.895 -4.676 -3.933 333 1HZ LYS 42 HZ2 LYS 42 2.290 -2.281 -3.465 334 2HZ LYS 42 HZ1 LYS 42 0.927 -2.880 -2.637 335 3HZ LYS 42 HZ3 LYS 42 2.493 -3.292 -2.113 336 H SER 43 HN SER 43 -3.939 -4.938 -5.137 337 HA SER 43 HA SER 43 -4.634 -5.843 -2.545 338 1HB SER 43 HB2 SER 43 -5.444 -3.808 -4.127 339 2HB SER 43 HB1 SER 43 -6.810 -4.896 -4.325 340 HG SER 43 HG SER 43 -5.883 -3.552 -2.042 341 H ALA 44 HN ALA 44 -5.478 -6.987 -5.767 342 HA ALA 44 HA ALA 44 -7.521 -8.832 -4.982 343 1HB ALA 44 HB3 ALA 44 -5.818 -8.627 -7.475 344 2HB ALA 44 HB2 ALA 44 -7.111 -9.811 -7.269 345 3HB ALA 44 HB1 ALA 44 -7.486 -8.086 -7.261 346 H ALA 45 HN ALA 45 -4.065 -9.161 -5.711 347 HA ALA 45 HA ALA 45 -3.875 -11.963 -5.310 348 1HB ALA 45 HB3 ALA 45 -2.192 -10.593 -6.518 349 2HB ALA 45 HB2 ALA 45 -1.705 -9.876 -4.982 350 3HB ALA 45 HB1 ALA 45 -1.473 -11.601 -5.263 351 H SER 46 HN SER 46 -3.226 -9.208 -3.142 352 HA SER 46 HA SER 46 -2.453 -10.758 -0.874 353 1HB SER 46 HB2 SER 46 -2.100 -8.217 -1.412 354 2HB SER 46 HB1 SER 46 -3.672 -8.014 -0.647 355 HG SER 46 HG SER 46 -2.834 -8.973 1.248 356 H GLY 47 HN GLY 47 -5.552 -9.406 -1.941 357 1HA GLY 47 HA2 GLY 47 -7.673 -10.302 -1.523 358 2HA GLY 47 HA1 GLY 47 -7.000 -11.272 -0.215 359 H ILE 48 HN ILE 48 -7.198 -7.787 -0.987 360 HA ILE 48 HA ILE 48 -8.015 -7.246 1.803 361 HB ILE 48 HB ILE 48 -6.807 -5.488 -0.336 362 1HG1 ILE 48 HG12 ILE 48 -5.705 -5.994 2.415 363 2HG1 ILE 48 HG11 ILE 48 -5.414 -7.139 1.110 364 1HG2 ILE 48 HG23 ILE 48 -7.964 -4.738 2.344 365 2HG2 ILE 48 HG22 ILE 48 -6.736 -3.759 1.540 366 3HG2 ILE 48 HG21 ILE 48 -8.297 -4.027 0.762 367 1HD1 ILE 48 HD11 ILE 48 -4.663 -4.993 -0.209 368 2HD1 ILE 48 HD13 ILE 48 -4.448 -4.324 1.411 369 3HD1 ILE 48 HD12 ILE 48 -3.563 -5.772 0.930 370 HA PRO 49 HA PRO 49 -12.111 -6.732 0.063 371 1HB PRO 49 HB2 PRO 49 -13.347 -5.797 2.308 372 2HB PRO 49 HB1 PRO 49 -12.968 -7.500 2.011 373 1HG PRO 49 HG2 PRO 49 -11.517 -5.495 3.680 374 2HG PRO 49 HG1 PRO 49 -11.843 -7.207 4.002 375 1HD PRO 49 HD2 PRO 49 -9.436 -6.294 3.116 376 2HD PRO 49 HD1 PRO 49 -10.053 -7.918 2.749 377 H TYR 50 HN TYR 50 -12.928 -5.154 -1.132 378 HA TYR 50 HA TYR 50 -12.105 -2.371 -0.704 379 1HB TYR 50 HB2 TYR 50 -12.009 -3.764 -2.934 380 2HB TYR 50 HB1 TYR 50 -13.702 -3.315 -3.069 381 HD1 TYR 50 HD1 TYR 50 -10.523 -1.591 -2.077 382 HD2 TYR 50 HD2 TYR 50 -14.057 -1.515 -4.480 383 HE1 TYR 50 HE1 TYR 50 -9.843 0.580 -3.012 384 HE2 TYR 50 HE2 TYR 50 -13.365 0.659 -5.413 385 HH TYR 50 HH TYR 50 -11.427 2.668 -4.169 386 H HIS 51 HN HIS 51 -14.591 -1.673 -2.410 387 HA HIS 51 HA HIS 51 -16.580 -1.636 -0.207 388 1HB HIS 51 HB2 HIS 51 -15.373 0.566 -1.743 389 2HB HIS 51 HB1 HIS 51 -17.127 0.627 -1.690 390 HD1 HIS 51 HD1 HIS 51 -18.157 0.508 0.827 391 HD2 HIS 51 HD2 HIS 51 -14.172 1.596 0.501 392 HE1 HIS 51 HE1 HIS 51 -17.590 1.588 3.020 393 H SER 52 HN SER 52 -18.781 -1.402 -0.853 394 HA SER 52 HA SER 52 -20.664 -1.996 -1.972 395 1HB SER 52 HB2 SER 52 -19.264 -1.666 -4.609 396 2HB SER 52 HB1 SER 52 -20.927 -1.303 -4.181 397 HG SER 52 HG SER 52 -20.130 0.436 -2.883 398 H GLU 53 HN GLU 53 -19.538 -4.070 -0.968 399 HA GLU 53 HA GLU 53 -19.445 -6.334 -0.977 400 1HB GLU 53 HB2 GLU 53 -20.981 -5.946 -3.536 401 2HB GLU 53 HB1 GLU 53 -20.520 -7.548 -2.977 402 1HG GLU 53 HG2 GLU 53 -22.123 -5.550 -1.358 403 2HG GLU 53 HG1 GLU 53 -22.813 -6.899 -2.253 404 H VAL 54 HN VAL 54 -17.652 -7.397 -1.079 405 HA VAL 54 HA VAL 54 -15.721 -6.954 -3.210 406 HB VAL 54 HB VAL 54 -15.274 -8.950 -1.020 407 1HG1 VAL 54 HG11 VAL 54 -13.627 -8.395 -2.890 408 2HG1 VAL 54 HG13 VAL 54 -13.400 -6.850 -2.073 409 3HG1 VAL 54 HG12 VAL 54 -13.014 -8.356 -1.237 410 1HG2 VAL 54 HG21 VAL 54 -15.415 -5.962 -0.652 411 2HG2 VAL 54 HG23 VAL 54 -16.205 -7.218 0.300 412 3HG2 VAL 54 HG22 VAL 54 -14.458 -7.001 0.405 413 HA PRO 55 HA PRO 55 -16.669 -11.509 -4.165 414 1HB PRO 55 HB2 PRO 55 -18.128 -13.025 -2.451 415 2HB PRO 55 HB1 PRO 55 -16.412 -12.669 -2.210 416 1HG PRO 55 HG2 PRO 55 -18.712 -11.728 -0.685 417 2HG PRO 55 HG1 PRO 55 -16.992 -11.623 -0.288 418 1HD PRO 55 HD2 PRO 55 -18.752 -9.595 -1.470 419 2HD PRO 55 HD1 PRO 55 -17.154 -9.404 -0.731 420 H VAL 56 HN VAL 56 -18.054 -12.027 -5.798 421 HA VAL 56 HA VAL 56 -20.960 -11.834 -5.416 422 HB VAL 56 HB VAL 56 -19.452 -10.440 -7.643 423 1HG1 VAL 56 HG12 VAL 56 -22.356 -11.140 -7.315 424 2HG1 VAL 56 HG11 VAL 56 -21.896 -9.657 -8.155 425 3HG1 VAL 56 HG13 VAL 56 -21.339 -11.219 -8.758 426 1HG2 VAL 56 HG23 VAL 56 -21.044 -9.456 -5.284 427 2HG2 VAL 56 HG22 VAL 56 -19.414 -8.994 -5.791 428 3HG2 VAL 56 HG21 VAL 56 -20.815 -8.459 -6.723 429 H SER 57 HN SER 57 -22.016 -13.467 -6.403 430 HA SER 57 HA SER 57 -20.578 -15.643 -7.544 431 1HB SER 57 HB2 SER 57 -23.521 -15.435 -7.812 432 2HB SER 57 HB1 SER 57 -22.532 -16.788 -7.304 433 HG SER 57 HG SER 57 -22.359 -15.937 -5.275 434 H LEU 58 HN LEU 58 -20.581 -16.432 -9.618 435 HA LEU 58 HA LEU 58 -21.780 -14.796 -11.764 436 1HB LEU 58 HB2 LEU 58 -19.142 -14.594 -11.268 437 2HB LEU 58 HB1 LEU 58 -19.106 -16.037 -12.272 438 HG LEU 58 HG LEU 58 -20.465 -14.762 -13.969 439 1HD1 LEU 58 HD13 LEU 58 -20.342 -12.755 -11.862 440 2HD1 LEU 58 HD12 LEU 58 -19.825 -12.128 -13.427 441 3HD1 LEU 58 HD11 LEU 58 -21.418 -12.867 -13.249 442 1HD2 LEU 58 HD21 LEU 58 -17.805 -14.963 -13.728 443 2HD2 LEU 58 HD23 LEU 58 -18.579 -14.060 -15.036 444 3HD2 LEU 58 HD22 LEU 58 -17.961 -13.207 -13.622 445 H LYS 59 HN LYS 59 -23.382 -16.504 -11.430 446 HA LYS 59 HA LYS 59 -22.721 -19.006 -12.878 447 1HB LYS 59 HB2 LYS 59 -23.209 -19.111 -10.326 448 2HB LYS 59 HB1 LYS 59 -24.879 -18.784 -10.777 449 1HG LYS 59 HG2 LYS 59 -25.007 -20.788 -12.065 450 2HG LYS 59 HG1 LYS 59 -23.267 -21.047 -11.966 451 1HD LYS 59 HD2 LYS 59 -23.662 -22.351 -10.181 452 2HD LYS 59 HD1 LYS 59 -24.084 -20.882 -9.305 453 1HE LYS 59 HE2 LYS 59 -25.933 -22.308 -8.997 454 2HE LYS 59 HE1 LYS 59 -26.443 -21.172 -10.240 455 1HZ LYS 59 HZ3 LYS 59 -25.503 -23.020 -11.813 456 2HZ LYS 59 HZ2 LYS 59 -25.809 -24.021 -10.469 457 3HZ LYS 59 HZ1 LYS 59 -27.079 -23.133 -11.173 458 H GLU 60 HN GLU 60 -23.563 -18.734 -14.858 459 HA GLU 60 HA GLU 60 -25.044 -18.374 -16.565 460 1HB GLU 60 HB2 GLU 60 -27.118 -18.532 -14.357 461 2HB GLU 60 HB1 GLU 60 -27.479 -18.501 -16.077 462 1HG GLU 60 HG2 GLU 60 -26.229 -20.586 -16.397 463 2HG GLU 60 HG1 GLU 60 -25.819 -20.618 -14.684 464 H ALA 61 HN ALA 61 -23.737 -16.235 -16.064 465 HA ALA 61 HA ALA 61 -25.404 -13.966 -15.308 466 1HB ALA 61 HB1 ALA 61 -22.553 -14.113 -16.321 467 2HB ALA 61 HB3 ALA 61 -23.356 -12.651 -15.731 468 3HB ALA 61 HB2 ALA 61 -23.061 -14.003 -14.633 469 H ILE 62 HN ILE 62 -26.532 -12.746 -16.659 470 HA ILE 62 HA ILE 62 -26.353 -13.177 -19.555 471 HB ILE 62 HB ILE 62 -28.230 -11.264 -18.184 472 1HG1 ILE 62 HG12 ILE 62 -28.486 -13.351 -16.946 473 2HG1 ILE 62 HG11 ILE 62 -29.885 -13.075 -17.977 474 1HG2 ILE 62 HG21 ILE 62 -28.004 -11.351 -20.690 475 2HG2 ILE 62 HG23 ILE 62 -28.655 -12.989 -20.616 476 3HG2 ILE 62 HG22 ILE 62 -29.635 -11.627 -20.073 477 1HD1 ILE 62 HD13 ILE 62 -28.820 -14.591 -19.684 478 2HD1 ILE 62 HD12 ILE 62 -27.602 -14.993 -18.470 479 3HD1 ILE 62 HD11 ILE 62 -29.295 -15.383 -18.182 480 H CYS 63 HN CYS 63 -25.612 -11.623 -20.967 481 HA CYS 63 HA CYS 63 -24.735 -9.032 -19.850 482 1HB CYS 63 HB2 CYS 63 -22.898 -10.811 -19.921 483 2HB CYS 63 HB1 CYS 63 -22.973 -10.657 -21.669 484 HG CYS 63 HG CYS 63 -22.100 -8.359 -19.761 485 H GLU 64 HN GLU 64 -25.148 -7.356 -21.086 486 HA GLU 64 HA GLU 64 -25.897 -7.733 -23.932 487 1HB GLU 64 HB2 GLU 64 -27.061 -5.540 -22.230 488 2HB GLU 64 HB1 GLU 64 -27.689 -6.257 -23.710 489 1HG GLU 64 HG2 GLU 64 -28.026 -8.405 -22.395 490 2HG GLU 64 HG1 GLU 64 -27.658 -7.478 -20.940 491 H VAL 65 HN VAL 65 -25.225 -6.094 -25.355 492 HA VAL 65 HA VAL 65 -22.884 -4.569 -24.411 493 HB VAL 65 HB VAL 65 -23.855 -4.773 -27.257 494 1HG1 VAL 65 HG13 VAL 65 -21.107 -4.403 -26.043 495 2HG1 VAL 65 HG12 VAL 65 -21.464 -4.504 -27.768 496 3HG1 VAL 65 HG11 VAL 65 -22.079 -3.150 -26.824 497 1HG2 VAL 65 HG22 VAL 65 -22.470 -6.838 -25.601 498 2HG2 VAL 65 HG21 VAL 65 -23.732 -7.032 -26.822 499 3HG2 VAL 65 HG23 VAL 65 -22.075 -6.687 -27.316 500 H ALA 66 HN ALA 66 -22.741 -2.406 -24.387 501 HA ALA 66 HA ALA 66 -24.956 -0.736 -25.415 502 1HB ALA 66 HB3 ALA 66 -25.157 -1.128 -22.917 503 2HB ALA 66 HB2 ALA 66 -23.616 -0.287 -22.733 504 3HB ALA 66 HB1 ALA 66 -25.012 0.560 -23.403 505 H LEU 67 HN LEU 67 -23.530 -0.352 -27.191 506 HA LEU 67 HA LEU 67 -20.875 0.595 -26.952 507 1HB LEU 67 HB2 LEU 67 -22.555 -0.107 -29.042 508 2HB LEU 67 HB1 LEU 67 -22.319 1.616 -29.294 509 HG LEU 67 HG LEU 67 -20.640 0.372 -30.502 510 1HD1 LEU 67 HD22 LEU 67 -20.009 2.526 -29.382 511 2HD1 LEU 67 HD21 LEU 67 -19.283 1.567 -28.089 512 3HD1 LEU 67 HD23 LEU 67 -18.659 1.446 -29.735 513 1HD2 LEU 67 HD12 LEU 67 -20.756 -1.626 -28.913 514 2HD2 LEU 67 HD11 LEU 67 -19.175 -1.212 -29.586 515 3HD2 LEU 67 HD13 LEU 67 -19.577 -0.757 -27.928 516 H ASP 68 HN ASP 68 -23.942 2.342 -27.385 517 HA ASP 68 HA ASP 68 -22.622 4.794 -26.358 518 1HB ASP 68 HB2 ASP 68 -23.293 4.956 -28.771 519 2HB ASP 68 HB1 ASP 68 -24.965 4.692 -28.284 520 H TYR 69 HN TYR 69 -23.192 3.837 -24.284 521 HA TYR 69 HA TYR 69 -25.933 3.549 -23.478 522 1HB TYR 69 HB2 TYR 69 -24.445 2.249 -22.243 523 2HB TYR 69 HB1 TYR 69 -23.269 3.547 -22.113 524 HD1 TYR 69 HD1 TYR 69 -26.844 3.003 -21.107 525 HD2 TYR 69 HD2 TYR 69 -22.942 4.327 -19.991 526 HE1 TYR 69 HE1 TYR 69 -27.660 3.509 -18.835 527 HE2 TYR 69 HE2 TYR 69 -23.761 4.838 -17.731 528 HH TYR 69 HH TYR 69 -27.165 4.371 -16.827 529 H LYS 70 HN LYS 70 -23.556 5.990 -23.437 530 HA LYS 70 HA LYS 70 -25.090 8.228 -23.622 531 1HB LYS 70 HB2 LYS 70 -24.892 9.190 -21.259 532 2HB LYS 70 HB1 LYS 70 -26.159 8.010 -21.539 533 1HG LYS 70 HG2 LYS 70 -25.183 6.426 -20.211 534 2HG LYS 70 HG1 LYS 70 -23.545 6.957 -20.586 535 1HD LYS 70 HD2 LYS 70 -23.671 7.704 -18.422 536 2HD LYS 70 HD1 LYS 70 -24.332 9.116 -19.235 537 1HE LYS 70 HE2 LYS 70 -25.878 6.896 -17.876 538 2HE LYS 70 HE1 LYS 70 -25.752 8.568 -17.351 539 1HZ LYS 70 HZ3 LYS 70 -26.747 8.924 -19.778 540 2HZ LYS 70 HZ2 LYS 70 -27.401 7.384 -19.434 541 3HZ LYS 70 HZ1 LYS 70 -27.718 8.699 -18.396 542 H LYS 71 HN LYS 71 -22.905 7.619 -24.826 543 HA LYS 71 HA LYS 71 -20.784 8.238 -25.403 544 1HB LYS 71 HB2 LYS 71 -21.354 10.612 -23.610 545 2HB LYS 71 HB1 LYS 71 -20.068 10.510 -24.807 546 1HG LYS 71 HG2 LYS 71 -22.951 10.115 -25.593 547 2HG LYS 71 HG1 LYS 71 -22.269 11.729 -25.440 548 1HD LYS 71 HD2 LYS 71 -21.604 11.509 -27.579 549 2HD LYS 71 HD1 LYS 71 -20.374 10.408 -26.967 550 1HE LYS 71 HE2 LYS 71 -21.550 9.342 -28.795 551 2HE LYS 71 HE1 LYS 71 -21.938 8.511 -27.296 552 1HZ LYS 71 HZ3 LYS 71 -23.972 10.050 -27.252 553 2HZ LYS 71 HZ2 LYS 71 -23.637 10.318 -28.903 554 3HZ LYS 71 HZ1 LYS 71 -23.972 8.737 -28.335 555 H LYS 72 HN LYS 72 -20.265 6.285 -23.995 556 HA LYS 72 HA LYS 72 -18.176 7.062 -22.075 557 1HB LYS 72 HB2 LYS 72 -20.502 5.235 -21.492 558 2HB LYS 72 HB1 LYS 72 -18.984 5.098 -20.613 559 1HG LYS 72 HG2 LYS 72 -19.228 7.608 -20.131 560 2HG LYS 72 HG1 LYS 72 -20.894 7.426 -20.681 561 1HD LYS 72 HD2 LYS 72 -21.448 5.978 -18.913 562 2HD LYS 72 HD1 LYS 72 -19.763 5.607 -18.559 563 1HE LYS 72 HE2 LYS 72 -20.797 8.415 -18.253 564 2HE LYS 72 HE1 LYS 72 -21.083 7.229 -16.988 565 1HZ LYS 72 HZ2 LYS 72 -18.663 6.848 -16.914 566 2HZ LYS 72 HZ1 LYS 72 -18.447 8.134 -18.018 567 3HZ LYS 72 HZ3 LYS 72 -19.115 8.434 -16.484 568 H LYS 73 HN LYS 73 -17.588 6.390 -24.560 569 HA LYS 73 HA LYS 73 -16.401 5.060 -25.936 570 1HB LYS 73 HB2 LYS 73 -15.501 4.006 -23.258 571 2HB LYS 73 HB1 LYS 73 -14.721 3.609 -24.788 572 1HG LYS 73 HG2 LYS 73 -15.130 6.476 -24.482 573 2HG LYS 73 HG1 LYS 73 -14.169 5.805 -23.173 574 1HD LYS 73 HD2 LYS 73 -12.727 4.696 -24.919 575 2HD LYS 73 HD1 LYS 73 -13.636 5.587 -26.137 576 1HE LYS 73 HE2 LYS 73 -12.283 7.340 -25.853 577 2HE LYS 73 HE1 LYS 73 -12.824 7.472 -24.182 578 1HZ LYS 73 HZ1 LYS 73 -10.699 5.565 -24.953 579 2HZ LYS 73 HZ3 LYS 73 -10.346 7.202 -24.629 580 3HZ LYS 73 HZ2 LYS 73 -11.049 6.223 -23.417 581 H HIS 74 HN HIS 74 -16.495 2.452 -23.682 582 HA HIS 74 HA HIS 74 -18.435 0.918 -25.313 583 1HB HIS 74 HB2 HIS 74 -15.747 -0.100 -24.337 584 2HB HIS 74 HB1 HIS 74 -16.956 -1.032 -25.204 585 HD1 HIS 74 HD1 HIS 74 -13.961 0.811 -25.776 586 HD2 HIS 74 HD2 HIS 74 -17.418 0.161 -27.945 587 HE1 HIS 74 HE1 HIS 74 -13.343 1.343 -28.139 588 H VAL 75 HN VAL 75 -20.036 0.328 -23.968 589 HA VAL 75 HA VAL 75 -19.380 -0.464 -21.187 590 HB VAL 75 HB VAL 75 -21.758 1.101 -22.204 591 1HG1 VAL 75 HG13 VAL 75 -21.243 -0.153 -19.523 592 2HG1 VAL 75 HG12 VAL 75 -22.290 1.256 -19.700 593 3HG1 VAL 75 HG11 VAL 75 -22.692 -0.249 -20.528 594 1HG2 VAL 75 HG23 VAL 75 -19.678 2.402 -21.896 595 2HG2 VAL 75 HG22 VAL 75 -20.970 2.893 -20.800 596 3HG2 VAL 75 HG21 VAL 75 -19.649 1.888 -20.209 597 H PHE 76 HN PHE 76 -20.785 -2.056 -20.258 598 HA PHE 76 HA PHE 76 -22.620 -3.448 -22.048 599 1HB PHE 76 HB2 PHE 76 -21.684 -5.669 -21.520 600 2HB PHE 76 HB1 PHE 76 -20.615 -4.673 -22.490 601 HD1 PHE 76 HD1 PHE 76 -18.594 -3.673 -21.482 602 HD2 PHE 76 HD2 PHE 76 -21.044 -6.455 -19.375 603 HE1 PHE 76 HE1 PHE 76 -16.738 -4.123 -19.919 604 HE2 PHE 76 HE2 PHE 76 -19.203 -6.895 -17.805 605 HZ PHE 76 HZ PHE 76 -17.042 -5.733 -18.081 606 H LYS 77 HN LYS 77 -24.280 -4.383 -21.043 607 HA LYS 77 HA LYS 77 -24.639 -3.738 -18.201 608 1HB LYS 77 HB2 LYS 77 -26.468 -2.957 -19.423 609 2HB LYS 77 HB1 LYS 77 -26.497 -4.351 -20.487 610 1HG LYS 77 HG2 LYS 77 -28.421 -4.288 -18.958 611 2HG LYS 77 HG1 LYS 77 -27.456 -5.740 -18.757 612 1HD LYS 77 HD2 LYS 77 -27.435 -5.290 -16.554 613 2HD LYS 77 HD1 LYS 77 -26.359 -3.950 -16.920 614 1HE LYS 77 HE2 LYS 77 -28.185 -3.090 -15.618 615 2HE LYS 77 HE1 LYS 77 -28.383 -2.512 -17.268 616 1HZ LYS 77 HZ1 LYS 77 -29.817 -4.732 -17.407 617 2HZ LYS 77 HZ3 LYS 77 -30.016 -4.387 -15.749 618 3HZ LYS 77 HZ2 LYS 77 -30.472 -3.232 -16.917 619 H LEU 78 HN LEU 78 -24.006 -5.228 -16.816 620 HA LEU 78 HA LEU 78 -24.142 -8.087 -17.473 621 1HB LEU 78 HB2 LEU 78 -22.274 -6.508 -16.094 622 2HB LEU 78 HB1 LEU 78 -23.067 -7.447 -14.843 623 HG LEU 78 HG LEU 78 -21.540 -8.416 -17.246 624 1HD1 LEU 78 HD21 LEU 78 -21.293 -8.805 -14.265 625 2HD1 LEU 78 HD23 LEU 78 -20.401 -9.772 -15.441 626 3HD1 LEU 78 HD22 LEU 78 -20.148 -8.028 -15.361 627 1HD2 LEU 78 HD13 LEU 78 -23.745 -9.771 -15.830 628 2HD2 LEU 78 HD12 LEU 78 -23.074 -10.067 -17.437 629 3HD2 LEU 78 HD11 LEU 78 -22.272 -10.719 -16.009 630 H ARG 79 HN ARG 79 -25.879 -9.191 -16.840 631 HA ARG 79 HA ARG 79 -27.388 -8.299 -14.444 632 1HB ARG 79 HB2 ARG 79 -28.538 -7.932 -16.676 633 2HB ARG 79 HB1 ARG 79 -28.568 -9.680 -16.864 634 1HG ARG 79 HG2 ARG 79 -29.592 -9.171 -14.288 635 2HG ARG 79 HG1 ARG 79 -30.325 -7.970 -15.345 636 1HD ARG 79 HD2 ARG 79 -30.794 -9.993 -16.921 637 2HD ARG 79 HD1 ARG 79 -30.527 -10.966 -15.473 638 HE ARG 79 HE ARG 79 -32.793 -9.207 -16.023 639 1HH1 ARG 79 HH21 ARG 79 -32.426 -8.183 -13.410 640 2HH1 ARG 79 HH22 ARG 79 -33.056 -9.401 -12.342 641 1HH2 ARG 79 HH11 ARG 79 -32.959 -11.975 -14.737 642 2HH2 ARG 79 HH12 ARG 79 -33.378 -11.571 -13.090 643 H LEU 80 HN LEU 80 -27.289 -9.774 -12.856 644 HA LEU 80 HA LEU 80 -26.235 -12.414 -13.266 645 1HB LEU 80 HB2 LEU 80 -27.580 -11.157 -10.858 646 2HB LEU 80 HB1 LEU 80 -26.789 -12.731 -10.853 647 HG LEU 80 HG LEU 80 -25.552 -10.013 -11.210 648 1HD1 LEU 80 HD12 LEU 80 -25.956 -11.381 -8.956 649 2HD1 LEU 80 HD11 LEU 80 -24.413 -12.094 -9.441 650 3HD1 LEU 80 HD13 LEU 80 -24.548 -10.350 -9.209 651 1HD2 LEU 80 HD23 LEU 80 -24.425 -12.681 -11.995 652 2HD2 LEU 80 HD22 LEU 80 -24.430 -11.168 -12.902 653 3HD2 LEU 80 HD21 LEU 80 -23.374 -11.353 -11.500 654 H SER 81 HN SER 81 -27.383 -14.394 -12.720 655 HA SER 81 HA SER 81 -29.619 -14.882 -14.244 656 1HB SER 81 HB2 SER 81 -29.814 -16.866 -12.374 657 2HB SER 81 HB1 SER 81 -28.712 -16.880 -13.744 658 HG SER 81 HG SER 81 -27.143 -16.900 -12.346 659 H ASP 82 HN ASP 82 -29.525 -14.104 -10.786 660 HA ASP 82 HA ASP 82 -32.184 -13.010 -10.833 661 1HB ASP 82 HB2 ASP 82 -32.688 -15.457 -10.750 662 2HB ASP 82 HB1 ASP 82 -31.762 -15.569 -9.258 663 H GLY 83 HN GLY 83 -30.509 -11.328 -10.098 664 1HA GLY 83 HA2 GLY 83 -30.664 -11.015 -7.268 665 2HA GLY 83 HA1 GLY 83 -29.040 -11.497 -7.750 666 H ASN 84 HN ASN 84 -27.674 -9.985 -8.427 667 HA ASN 84 HA ASN 84 -28.473 -7.188 -8.384 668 1HB ASN 84 HB2 ASN 84 -25.706 -8.359 -8.726 669 2HB ASN 84 HB1 ASN 84 -26.116 -6.718 -8.230 670 1HD2 ASN 84 HD22 ASN 84 -25.948 -7.601 -4.872 671 2HD2 ASN 84 HD21 ASN 84 -25.657 -6.458 -6.141 672 H GLU 85 HN GLU 85 -27.565 -5.653 -9.911 673 HA GLU 85 HA GLU 85 -27.034 -6.595 -12.650 674 1HB GLU 85 HB2 GLU 85 -29.253 -4.738 -11.790 675 2HB GLU 85 HB1 GLU 85 -28.607 -4.726 -13.430 676 1HG GLU 85 HG2 GLU 85 -29.116 -7.208 -13.516 677 2HG GLU 85 HG1 GLU 85 -29.986 -7.006 -11.999 678 H TYR 86 HN TYR 86 -25.396 -5.419 -13.560 679 HA TYR 86 HA TYR 86 -24.765 -2.733 -12.473 680 1HB TYR 86 HB2 TYR 86 -22.686 -4.871 -12.972 681 2HB TYR 86 HB1 TYR 86 -22.411 -3.253 -12.346 682 HD1 TYR 86 HD2 TYR 86 -23.835 -6.564 -11.573 683 HD2 TYR 86 HD1 TYR 86 -22.668 -2.755 -10.028 684 HE1 TYR 86 HE2 TYR 86 -24.104 -7.408 -9.278 685 HE2 TYR 86 HE1 TYR 86 -22.965 -3.603 -7.740 686 HH TYR 86 HH TYR 86 -23.324 -6.922 -7.025 687 H LEU 87 HN LEU 87 -23.355 -1.477 -13.787 688 HA LEU 87 HA LEU 87 -23.320 -2.178 -16.674 689 1HB LEU 87 HB2 LEU 87 -23.226 0.615 -15.490 690 2HB LEU 87 HB1 LEU 87 -23.308 0.187 -17.192 691 HG LEU 87 HG LEU 87 -25.458 -0.197 -15.124 692 1HD1 LEU 87 HD13 LEU 87 -25.058 2.092 -16.102 693 2HD1 LEU 87 HD12 LEU 87 -25.502 1.411 -17.667 694 3HD1 LEU 87 HD11 LEU 87 -26.676 1.436 -16.344 695 1HD2 LEU 87 HD21 LEU 87 -25.378 -1.057 -18.017 696 2HD2 LEU 87 HD23 LEU 87 -25.515 -2.105 -16.605 697 3HD2 LEU 87 HD22 LEU 87 -26.839 -1.019 -17.029 698 H PHE 88 HN PHE 88 -21.302 -2.549 -17.412 699 HA PHE 88 HA PHE 88 -19.016 -1.543 -15.819 700 1HB PHE 88 HB2 PHE 88 -19.429 -4.060 -17.387 701 2HB PHE 88 HB1 PHE 88 -17.807 -3.470 -17.047 702 HD1 PHE 88 HD1 PHE 88 -17.075 -3.187 -14.652 703 HD2 PHE 88 HD2 PHE 88 -20.694 -5.187 -15.723 704 HE1 PHE 88 HE1 PHE 88 -17.150 -4.244 -12.424 705 HE2 PHE 88 HE2 PHE 88 -20.772 -6.237 -13.497 706 HZ PHE 88 HZ PHE 88 -19.006 -5.769 -11.847 707 H GLN 89 HN GLN 89 -17.629 -0.185 -16.776 708 HA GLN 89 HA GLN 89 -17.867 0.283 -19.697 709 1HB GLN 89 HB2 GLN 89 -18.323 2.172 -17.997 710 2HB GLN 89 HB1 GLN 89 -16.589 2.167 -17.735 711 1HG GLN 89 HG2 GLN 89 -16.858 2.204 -20.522 712 2HG GLN 89 HG1 GLN 89 -18.136 3.267 -19.952 713 1HE2 GLN 89 HE22 GLN 89 -15.343 5.509 -20.399 714 2HE2 GLN 89 HE21 GLN 89 -16.517 4.624 -21.316 715 H ALA 90 HN ALA 90 -16.137 0.054 -20.979 716 HA ALA 90 HA ALA 90 -13.545 -0.737 -19.761 717 1HB ALA 90 HB2 ALA 90 -14.788 -1.489 -22.416 718 2HB ALA 90 HB1 ALA 90 -13.135 -1.891 -21.942 719 3HB ALA 90 HB3 ALA 90 -14.499 -2.553 -21.038 720 H LYS 91 HN LYS 91 -11.645 -0.207 -21.165 721 HA LYS 91 HA LYS 91 -11.842 2.587 -22.110 722 1HB LYS 91 HB2 LYS 91 -9.500 0.833 -21.340 723 2HB LYS 91 HB1 LYS 91 -9.309 2.414 -22.085 724 1HG LYS 91 HG2 LYS 91 -9.268 3.172 -19.965 725 2HG LYS 91 HG1 LYS 91 -11.014 3.015 -20.056 726 1HD LYS 91 HD2 LYS 91 -10.325 1.959 -18.029 727 2HD LYS 91 HD1 LYS 91 -10.771 0.684 -19.153 728 1HE LYS 91 HE2 LYS 91 -8.675 0.219 -17.871 729 2HE LYS 91 HE1 LYS 91 -8.466 0.175 -19.614 730 1HZ LYS 91 HZ2 LYS 91 -7.885 2.611 -18.031 731 2HZ LYS 91 HZ1 LYS 91 -6.723 1.382 -18.272 732 3HZ LYS 91 HZ3 LYS 91 -7.366 2.213 -19.610 733 H ASP 92 HN ASP 92 -10.629 -0.585 -23.112 734 HA ASP 92 HA ASP 92 -10.420 0.371 -25.908 735 1HB ASP 92 HB2 ASP 92 -8.346 -0.516 -24.772 736 2HB ASP 92 HB1 ASP 92 -9.134 -2.089 -24.700 737 H ASP 93 HN ASP 93 -11.168 -0.942 -27.584 738 HA ASP 93 HA ASP 93 -13.702 -2.160 -27.229 739 1HB ASP 93 HB2 ASP 93 -12.877 -1.071 -29.336 740 2HB ASP 93 HB1 ASP 93 -11.821 -2.457 -29.594 741 H GLU 94 HN GLU 94 -10.443 -3.508 -27.634 742 HA GLU 94 HA GLU 94 -11.168 -6.260 -27.791 743 1HB GLU 94 HB2 GLU 94 -8.582 -5.043 -26.781 744 2HB GLU 94 HB1 GLU 94 -8.811 -6.703 -27.321 745 1HG GLU 94 HG2 GLU 94 -9.223 -4.274 -29.090 746 2HG GLU 94 HG1 GLU 94 -7.735 -5.214 -29.031 747 H GLU 95 HN GLU 95 -10.509 -4.074 -25.130 748 HA GLU 95 HA GLU 95 -10.329 -5.935 -23.003 749 1HB GLU 95 HB2 GLU 95 -9.707 -3.451 -23.016 750 2HB GLU 95 HB1 GLU 95 -11.422 -3.125 -22.783 751 1HG GLU 95 HG2 GLU 95 -11.410 -4.408 -20.710 752 2HG GLU 95 HG1 GLU 95 -9.716 -4.830 -20.959 753 H MET 96 HN MET 96 -13.059 -4.013 -24.241 754 HA MET 96 HA MET 96 -15.081 -4.968 -22.528 755 1HB MET 96 HB2 MET 96 -15.175 -2.979 -24.116 756 2HB MET 96 HB1 MET 96 -15.484 -4.134 -25.407 757 1HG MET 96 HG2 MET 96 -17.376 -4.959 -23.715 758 2HG MET 96 HG1 MET 96 -17.218 -3.312 -23.121 759 1HE MET 96 HE3 MET 96 -17.218 -5.378 -26.226 760 2HE MET 96 HE2 MET 96 -18.963 -5.299 -26.461 761 3HE MET 96 HE1 MET 96 -17.900 -4.340 -27.485 762 H ASN 97 HN ASN 97 -13.971 -6.147 -25.686 763 HA ASN 97 HA ASN 97 -15.887 -8.181 -26.078 764 1HB ASN 97 HB2 ASN 97 -14.296 -7.239 -27.793 765 2HB ASN 97 HB1 ASN 97 -13.017 -8.198 -27.052 766 1HD2 ASN 97 HD22 ASN 97 -15.983 -10.040 -29.217 767 2HD2 ASN 97 HD21 ASN 97 -16.225 -8.453 -28.544 768 H THR 98 HN THR 98 -12.657 -8.299 -24.560 769 HA THR 98 HA THR 98 -12.604 -11.083 -24.053 770 HB THR 98 HB THR 98 -11.236 -8.976 -22.376 771 HG1 THR 98 HG1 THR 98 -10.785 -8.500 -24.537 772 1HG2 THR 98 HG23 THR 98 -10.615 -11.855 -23.064 773 2HG2 THR 98 HG22 THR 98 -9.434 -10.760 -22.341 774 3HG2 THR 98 HG21 THR 98 -10.915 -11.160 -21.466 775 H TRP 99 HN TRP 99 -13.755 -8.368 -22.054 776 HA TRP 99 HA TRP 99 -14.331 -9.898 -19.728 777 1HB TRP 99 HB2 TRP 99 -15.219 -7.205 -20.737 778 2HB TRP 99 HB1 TRP 99 -15.939 -7.894 -19.289 779 HD1 TRP 99 HD1 TRP 99 -13.200 -5.655 -20.222 780 HE1 TRP 99 HE1 TRP 99 -11.469 -5.489 -18.342 781 HE3 TRP 99 HE3 TRP 99 -14.610 -9.661 -17.345 782 HZ2 TRP 99 HZ2 TRP 99 -10.779 -6.819 -15.987 783 HZ3 TRP 99 HZ3 TRP 99 -13.361 -10.149 -15.282 784 HH2 TRP 99 HH2 TRP 99 -11.460 -8.744 -14.608 785 H ILE 100 HN ILE 100 -16.510 -8.669 -22.298 786 HA ILE 100 HA ILE 100 -18.890 -9.835 -21.388 787 HB ILE 100 HB ILE 100 -17.975 -9.106 -24.171 788 1HG1 ILE 100 HG12 ILE 100 -19.920 -7.762 -22.283 789 2HG1 ILE 100 HG11 ILE 100 -18.243 -7.274 -22.506 790 1HG2 ILE 100 HG22 ILE 100 -20.614 -10.209 -23.236 791 2HG2 ILE 100 HG21 ILE 100 -20.526 -9.120 -24.622 792 3HG2 ILE 100 HG23 ILE 100 -19.662 -10.654 -24.653 793 1HD1 ILE 100 HD12 ILE 100 -18.836 -7.065 -25.003 794 2HD1 ILE 100 HD11 ILE 100 -20.519 -7.127 -24.473 795 3HD1 ILE 100 HD13 ILE 100 -19.465 -5.831 -23.909 796 H GLN 101 HN GLN 101 -16.436 -11.167 -23.603 797 HA GLN 101 HA GLN 101 -17.783 -13.573 -24.243 798 1HB GLN 101 HB2 GLN 101 -14.851 -12.852 -24.233 799 2HB GLN 101 HB1 GLN 101 -15.461 -14.398 -24.815 800 1HG GLN 101 HG2 GLN 101 -16.799 -11.982 -25.908 801 2HG GLN 101 HG1 GLN 101 -15.124 -12.217 -26.394 802 1HE2 GLN 101 HE22 GLN 101 -15.755 -15.071 -28.372 803 2HE2 GLN 101 HE21 GLN 101 -14.558 -14.125 -27.520 804 H ALA 102 HN ALA 102 -15.317 -12.887 -21.743 805 HA ALA 102 HA ALA 102 -15.182 -15.513 -20.678 806 1HB ALA 102 HB2 ALA 102 -13.483 -13.750 -20.271 807 2HB ALA 102 HB1 ALA 102 -14.644 -12.893 -19.253 808 3HB ALA 102 HB3 ALA 102 -14.057 -14.487 -18.778 809 H ILE 103 HN ILE 103 -17.059 -12.662 -19.686 810 HA ILE 103 HA ILE 103 -18.362 -13.765 -17.444 811 HB ILE 103 HB ILE 103 -19.089 -11.528 -19.330 812 1HG1 ILE 103 HG12 ILE 103 -18.272 -11.262 -16.455 813 2HG1 ILE 103 HG11 ILE 103 -17.048 -11.503 -17.698 814 1HG2 ILE 103 HG22 ILE 103 -20.510 -12.457 -16.843 815 2HG2 ILE 103 HG21 ILE 103 -20.627 -10.801 -17.437 816 3HG2 ILE 103 HG23 ILE 103 -21.190 -12.135 -18.441 817 1HD1 ILE 103 HD11 ILE 103 -18.404 -9.526 -18.877 818 2HD1 ILE 103 HD13 ILE 103 -18.813 -9.155 -17.205 819 3HD1 ILE 103 HD12 ILE 103 -17.127 -9.206 -17.708 820 H SER 104 HN SER 104 -19.197 -13.876 -20.888 821 HA SER 104 HA SER 104 -21.834 -14.908 -20.590 822 1HB SER 104 HB2 SER 104 -19.896 -15.140 -22.906 823 2HB SER 104 HB1 SER 104 -21.609 -15.555 -22.972 824 HG SER 104 HG SER 104 -20.408 -13.004 -22.621 825 H SER 105 HN SER 105 -18.692 -16.408 -20.397 826 HA SER 105 HA SER 105 -19.758 -19.125 -20.700 827 1HB SER 105 HB2 SER 105 -16.950 -18.343 -19.915 828 2HB SER 105 HB1 SER 105 -17.503 -19.852 -20.638 829 HG SER 105 HG SER 105 -18.264 -17.964 -22.304 830 H ALA 106 HN ALA 106 -20.170 -17.068 -18.317 831 HA ALA 106 HA ALA 106 -19.550 -18.955 -16.113 832 1HB ALA 106 HB2 ALA 106 -18.463 -16.696 -16.001 833 2HB ALA 106 HB1 ALA 106 -20.072 -15.977 -15.922 834 3HB ALA 106 HB3 ALA 106 -19.520 -17.047 -14.635 No H/Q in entry = 834 Start of MODEL 4 1 1H MET 1 HT3 MET 1 -9.551 -11.027 -17.957 2 2H MET 1 HT2 MET 1 -8.079 -11.874 -17.810 3 3H MET 1 HT1 MET 1 -9.398 -12.582 -18.631 4 HA MET 1 HA MET 1 -10.628 -12.847 -16.672 5 1HB MET 1 HB2 MET 1 -7.742 -13.640 -16.391 6 2HB MET 1 HB1 MET 1 -8.890 -14.000 -15.110 7 1HG MET 1 HG2 MET 1 -9.377 -14.793 -17.978 8 2HG MET 1 HG1 MET 1 -8.488 -15.818 -16.862 9 1HE MET 1 HE2 MET 1 -10.114 -17.617 -17.596 10 2HE MET 1 HE1 MET 1 -11.761 -17.799 -16.996 11 3HE MET 1 HE3 MET 1 -11.431 -16.744 -18.377 12 H GLU 2 HN GLU 2 -7.560 -11.216 -15.827 13 HA GLU 2 HA GLU 2 -8.953 -9.806 -13.619 14 1HB GLU 2 HB2 GLU 2 -5.968 -10.035 -13.745 15 2HB GLU 2 HB1 GLU 2 -7.018 -9.870 -12.345 16 1HG GLU 2 HG2 GLU 2 -6.589 -12.078 -12.055 17 2HG GLU 2 HG1 GLU 2 -7.825 -12.305 -13.287 18 H GLY 3 HN GLY 3 -8.749 -7.583 -13.485 19 1HA GLY 3 HA2 GLY 3 -6.913 -5.888 -14.623 20 2HA GLY 3 HA1 GLY 3 -8.104 -6.159 -15.897 21 H PHE 4 HN PHE 4 -7.908 -3.650 -15.162 22 HA PHE 4 HA PHE 4 -9.700 -2.937 -12.985 23 1HB PHE 4 HB2 PHE 4 -8.122 -1.390 -15.017 24 2HB PHE 4 HB1 PHE 4 -9.349 -0.600 -14.039 25 HD1 PHE 4 HD1 PHE 4 -9.168 -0.926 -11.460 26 HD2 PHE 4 HD2 PHE 4 -5.953 -1.580 -14.199 27 HE1 PHE 4 HE1 PHE 4 -7.546 -0.695 -9.619 28 HE2 PHE 4 HE2 PHE 4 -4.336 -1.346 -12.353 29 HZ PHE 4 HZ PHE 4 -5.145 -0.847 -10.068 30 H LEU 5 HN LEU 5 -11.702 -1.959 -13.210 31 HA LEU 5 HA LEU 5 -12.962 -1.695 -15.833 32 1HB LEU 5 HB2 LEU 5 -13.503 -3.929 -13.970 33 2HB LEU 5 HB1 LEU 5 -14.939 -3.074 -14.520 34 HG LEU 5 HG LEU 5 -12.826 -4.286 -16.311 35 1HD1 LEU 5 HD13 LEU 5 -15.462 -5.256 -15.287 36 2HD1 LEU 5 HD12 LEU 5 -14.936 -5.732 -16.901 37 3HD1 LEU 5 HD11 LEU 5 -13.949 -6.131 -15.498 38 1HD2 LEU 5 HD23 LEU 5 -15.134 -2.511 -16.808 39 2HD2 LEU 5 HD22 LEU 5 -13.667 -2.760 -17.755 40 3HD2 LEU 5 HD21 LEU 5 -15.002 -3.907 -17.880 41 H ASN 6 HN ASN 6 -14.710 -0.302 -15.790 42 HA ASN 6 HA ASN 6 -15.075 1.269 -13.326 43 1HB ASN 6 HB2 ASN 6 -15.057 1.911 -16.101 44 2HB ASN 6 HB1 ASN 6 -16.704 2.148 -15.549 45 1HD2 ASN 6 HD22 ASN 6 -15.339 5.398 -14.994 46 2HD2 ASN 6 HD21 ASN 6 -16.027 4.375 -16.217 47 H ARG 7 HN ARG 7 -16.737 0.788 -11.989 48 HA ARG 7 HA ARG 7 -18.976 -0.840 -13.066 49 1HB ARG 7 HB2 ARG 7 -17.396 -1.930 -11.425 50 2HB ARG 7 HB1 ARG 7 -18.000 -0.805 -10.211 51 1HG ARG 7 HG2 ARG 7 -20.209 -1.700 -10.360 52 2HG ARG 7 HG1 ARG 7 -19.825 -2.596 -11.826 53 1HD ARG 7 HD2 ARG 7 -19.829 -4.223 -10.101 54 2HD ARG 7 HD1 ARG 7 -18.126 -3.893 -10.408 55 HE ARG 7 HE ARG 7 -17.969 -2.803 -8.329 56 1HH1 ARG 7 HH21 ARG 7 -20.069 -1.168 -7.610 57 2HH1 ARG 7 HH22 ARG 7 -21.157 -2.096 -6.613 58 1HH2 ARG 7 HH11 ARG 7 -19.820 -5.192 -7.615 59 2HH2 ARG 7 HH12 ARG 7 -21.015 -4.411 -6.620 60 H LYS 8 HN LYS 8 -20.989 -0.172 -12.771 61 HA LYS 8 HA LYS 8 -21.672 1.886 -10.803 62 1HB LYS 8 HB2 LYS 8 -21.150 3.143 -12.826 63 2HB LYS 8 HB1 LYS 8 -22.229 2.132 -13.772 64 1HG LYS 8 HG2 LYS 8 -23.607 3.277 -11.483 65 2HG LYS 8 HG1 LYS 8 -22.854 4.533 -12.462 66 1HD LYS 8 HD2 LYS 8 -24.076 3.943 -14.384 67 2HD LYS 8 HD1 LYS 8 -24.498 2.359 -13.739 68 1HE LYS 8 HE2 LYS 8 -26.349 4.142 -13.777 69 2HE LYS 8 HE1 LYS 8 -26.124 3.239 -12.286 70 1HZ LYS 8 HZ3 LYS 8 -24.537 5.611 -12.385 71 2HZ LYS 8 HZ2 LYS 8 -26.199 5.933 -12.521 72 3HZ LYS 8 HZ1 LYS 8 -25.603 5.060 -11.176 73 H HIS 9 HN HIS 9 -23.547 1.381 -9.853 74 HA HIS 9 HA HIS 9 -25.096 -0.885 -10.877 75 1HB HIS 9 HB2 HIS 9 -26.289 -0.639 -8.628 76 2HB HIS 9 HB1 HIS 9 -24.630 -1.201 -8.619 77 HD1 HIS 9 HD1 HIS 9 -25.149 -0.335 -6.029 78 HD2 HIS 9 HD2 HIS 9 -24.389 2.559 -8.901 79 HE1 HIS 9 HE1 HIS 9 -24.452 1.695 -4.750 80 H GLU 10 HN GLU 10 -26.743 -0.532 -12.160 81 HA GLU 10 HA GLU 10 -28.106 2.018 -12.395 82 1HB GLU 10 HB2 GLU 10 -28.300 -0.661 -13.732 83 2HB GLU 10 HB1 GLU 10 -29.642 0.463 -13.885 84 1HG GLU 10 HG2 GLU 10 -26.842 1.396 -14.447 85 2HG GLU 10 HG1 GLU 10 -27.722 0.482 -15.668 86 H TRP 11 HN TRP 11 -28.604 -1.055 -10.878 87 HA TRP 11 HA TRP 11 -30.637 -0.050 -9.125 88 1HB TRP 11 HB2 TRP 11 -32.141 -0.581 -10.926 89 2HB TRP 11 HB1 TRP 11 -31.332 -2.107 -11.233 90 HD1 TRP 11 HD1 TRP 11 -33.525 -0.483 -8.417 91 HE1 TRP 11 HE1 TRP 11 -34.827 -2.390 -7.298 92 HE3 TRP 11 HE3 TRP 11 -31.524 -4.479 -10.889 93 HZ2 TRP 11 HZ2 TRP 11 -35.021 -5.192 -7.454 94 HZ3 TRP 11 HZ3 TRP 11 -32.319 -6.746 -10.377 95 HH2 TRP 11 HH2 TRP 11 -34.044 -7.105 -8.669 96 H GLU 12 HN GLU 12 -30.138 -0.920 -7.246 97 HA GLU 12 HA GLU 12 -29.021 -3.657 -7.116 98 1HB GLU 12 HB2 GLU 12 -27.163 -2.015 -7.068 99 2HB GLU 12 HB1 GLU 12 -27.882 -1.256 -5.653 100 1HG GLU 12 HG2 GLU 12 -27.509 -3.210 -4.313 101 2HG GLU 12 HG1 GLU 12 -27.099 -4.178 -5.725 102 H ALA 13 HN ALA 13 -31.336 -3.934 -6.548 103 HA ALA 13 HA ALA 13 -33.043 -4.300 -5.067 104 1HB ALA 13 HB1 ALA 13 -30.673 -4.535 -3.202 105 2HB ALA 13 HB3 ALA 13 -32.305 -5.101 -2.837 106 3HB ALA 13 HB2 ALA 13 -31.396 -5.829 -4.159 107 H HIS 14 HN HIS 14 -33.148 -1.733 -5.531 108 HA HIS 14 HA HIS 14 -34.198 -0.584 -3.146 109 1HB HIS 14 HB2 HIS 14 -31.487 -0.255 -3.228 110 2HB HIS 14 HB1 HIS 14 -31.995 1.174 -4.113 111 HD1 HIS 14 HD1 HIS 14 -31.735 3.002 -2.463 112 HD2 HIS 14 HD2 HIS 14 -33.652 -0.264 -0.798 113 HE1 HIS 14 HE1 HIS 14 -32.385 3.740 -0.159 114 H ASN 15 HN ASN 15 -35.989 0.190 -4.022 115 HA ASN 15 HA ASN 15 -37.454 1.364 -5.317 116 1HB ASN 15 HB2 ASN 15 -35.487 3.119 -4.770 117 2HB ASN 15 HB1 ASN 15 -35.308 3.070 -6.520 118 1HD2 ASN 15 HD22 ASN 15 -37.701 5.777 -5.689 119 2HD2 ASN 15 HD21 ASN 15 -36.031 5.407 -5.349 120 H LYS 16 HN LYS 16 -37.068 2.585 -7.879 121 HA LYS 16 HA LYS 16 -37.279 0.259 -9.574 122 1HB LYS 16 HB2 LYS 16 -37.461 3.235 -10.060 123 2HB LYS 16 HB1 LYS 16 -37.505 2.076 -11.382 124 1HG LYS 16 HG2 LYS 16 -39.726 2.007 -11.049 125 2HG LYS 16 HG1 LYS 16 -39.355 1.016 -9.641 126 1HD LYS 16 HD2 LYS 16 -39.028 3.607 -8.696 127 2HD LYS 16 HD1 LYS 16 -40.409 3.738 -9.782 128 1HE LYS 16 HE2 LYS 16 -40.133 1.771 -7.491 129 2HE LYS 16 HE1 LYS 16 -41.116 3.231 -7.485 130 1HZ LYS 16 HZ1 LYS 16 -41.507 1.032 -9.435 131 2HZ LYS 16 HZ3 LYS 16 -42.335 1.126 -7.943 132 3HZ LYS 16 HZ2 LYS 16 -42.543 2.350 -9.112 133 H LYS 17 HN LYS 17 -35.159 3.117 -9.582 134 HA LYS 17 HA LYS 17 -32.857 1.502 -10.377 135 1HB LYS 17 HB2 LYS 17 -34.151 3.595 -12.119 136 2HB LYS 17 HB1 LYS 17 -32.409 3.363 -12.176 137 1HG LYS 17 HG2 LYS 17 -32.836 0.929 -12.646 138 2HG LYS 17 HG1 LYS 17 -34.546 1.332 -12.799 139 1HD LYS 17 HD2 LYS 17 -34.150 2.739 -14.674 140 2HD LYS 17 HD1 LYS 17 -32.410 2.722 -14.411 141 1HE LYS 17 HE2 LYS 17 -33.608 0.054 -14.804 142 2HE LYS 17 HE1 LYS 17 -33.734 1.120 -16.197 143 1HZ LYS 17 HZ3 LYS 17 -31.169 1.479 -15.453 144 2HZ LYS 17 HZ2 LYS 17 -31.417 -0.166 -15.066 145 3HZ LYS 17 HZ1 LYS 17 -31.699 0.391 -16.651 146 H ALA 18 HN ALA 18 -30.897 2.879 -10.439 147 HA ALA 18 HA ALA 18 -31.015 5.127 -8.504 148 1HB ALA 18 HB1 ALA 18 -29.103 2.790 -8.681 149 2HB ALA 18 HB3 ALA 18 -28.644 4.303 -7.889 150 3HB ALA 18 HB2 ALA 18 -30.012 3.372 -7.280 151 H SER 19 HN SER 19 -31.221 6.404 -10.501 152 HA SER 19 HA SER 19 -29.027 6.451 -12.393 153 1HB SER 19 HB2 SER 19 -31.211 8.517 -12.080 154 2HB SER 19 HB1 SER 19 -30.254 8.152 -13.516 155 HG SER 19 HG SER 19 -31.248 5.988 -13.413 156 H SER 20 HN SER 20 -27.908 6.743 -9.985 157 HA SER 20 HA SER 20 -27.359 9.601 -9.545 158 1HB SER 20 HB2 SER 20 -27.929 7.776 -7.702 159 2HB SER 20 HB1 SER 20 -26.207 7.428 -7.836 160 HG SER 20 HG SER 20 -27.459 9.895 -7.143 161 H ARG 21 HN ARG 21 -25.049 10.180 -9.150 162 HA ARG 21 HA ARG 21 -23.378 9.160 -11.294 163 1HB ARG 21 HB2 ARG 21 -23.575 11.579 -10.597 164 2HB ARG 21 HB1 ARG 21 -22.663 11.170 -9.149 165 1HG ARG 21 HG2 ARG 21 -20.992 11.921 -10.577 166 2HG ARG 21 HG1 ARG 21 -20.927 10.182 -10.840 167 1HD ARG 21 HD2 ARG 21 -22.493 10.531 -12.806 168 2HD ARG 21 HD1 ARG 21 -22.222 12.263 -12.611 169 HE ARG 21 HE ARG 21 -20.446 10.413 -13.857 170 1HH1 ARG 21 HH21 ARG 21 -18.238 10.645 -12.422 171 2HH1 ARG 21 HH22 ARG 21 -17.608 12.263 -12.579 172 1HH2 ARG 21 HH11 ARG 21 -20.640 13.643 -13.696 173 2HH2 ARG 21 HH12 ARG 21 -18.971 13.973 -13.280 174 H SER 22 HN SER 22 -23.327 6.940 -10.341 175 HA SER 22 HA SER 22 -21.200 6.656 -8.285 176 1HB SER 22 HB2 SER 22 -23.352 4.635 -8.886 177 2HB SER 22 HB1 SER 22 -22.214 4.647 -7.545 178 HG SER 22 HG SER 22 -23.355 6.879 -7.215 179 H TRP 23 HN TRP 23 -19.711 6.826 -10.060 180 HA TRP 23 HA TRP 23 -19.408 4.310 -11.620 181 1HB TRP 23 HB2 TRP 23 -19.059 7.176 -12.391 182 2HB TRP 23 HB1 TRP 23 -17.897 6.029 -13.041 183 HD1 TRP 23 HD1 TRP 23 -21.242 7.457 -13.791 184 HE1 TRP 23 HE1 TRP 23 -22.391 6.091 -15.625 185 HE3 TRP 23 HE3 TRP 23 -18.183 3.360 -13.873 186 HZ2 TRP 23 HZ2 TRP 23 -22.061 3.621 -16.955 187 HZ3 TRP 23 HZ3 TRP 23 -18.643 1.546 -15.460 188 HH2 TRP 23 HH2 TRP 23 -20.558 1.668 -16.994 189 H HIS 24 HN HIS 24 -18.165 3.292 -10.061 190 HA HIS 24 HA HIS 24 -15.627 4.585 -9.260 191 1HB HIS 24 HB2 HIS 24 -15.581 2.611 -7.576 192 2HB HIS 24 HB1 HIS 24 -16.653 3.970 -7.274 193 HD1 HIS 24 HD1 HIS 24 -19.225 3.537 -7.674 194 HD2 HIS 24 HD2 HIS 24 -16.843 0.157 -7.904 195 HE1 HIS 24 HE1 HIS 24 -20.823 1.604 -7.588 196 H ASN 25 HN ASN 25 -13.721 3.787 -9.816 197 HA ASN 25 HA ASN 25 -13.572 1.640 -11.781 198 1HB ASN 25 HB2 ASN 25 -12.234 3.843 -11.844 199 2HB ASN 25 HB1 ASN 25 -11.236 3.146 -10.573 200 1HD2 ASN 25 HD22 ASN 25 -9.389 1.151 -12.757 201 2HD2 ASN 25 HD21 ASN 25 -9.665 1.715 -11.142 202 H VAL 26 HN VAL 26 -13.477 -0.397 -11.118 203 HA VAL 26 HA VAL 26 -12.049 -1.066 -8.606 204 HB VAL 26 HB VAL 26 -14.631 -1.242 -8.712 205 1HG1 VAL 26 HG12 VAL 26 -14.550 -2.479 -10.943 206 2HG1 VAL 26 HG11 VAL 26 -14.056 -3.893 -10.008 207 3HG1 VAL 26 HG13 VAL 26 -15.616 -3.135 -9.695 208 1HG2 VAL 26 HG22 VAL 26 -13.022 -2.228 -6.996 209 2HG2 VAL 26 HG21 VAL 26 -14.633 -2.938 -7.111 210 3HG2 VAL 26 HG23 VAL 26 -13.260 -3.763 -7.846 211 H TYR 27 HN TYR 27 -11.131 -3.218 -8.547 212 HA TYR 27 HA TYR 27 -10.039 -4.047 -11.164 213 1HB TYR 27 HB2 TYR 27 -8.570 -3.362 -9.178 214 2HB TYR 27 HB1 TYR 27 -9.050 -4.873 -8.433 215 HD1 TYR 27 HD2 TYR 27 -8.310 -7.013 -9.363 216 HD2 TYR 27 HD1 TYR 27 -7.063 -3.310 -11.049 217 HE1 TYR 27 HE2 TYR 27 -6.507 -8.172 -10.582 218 HE2 TYR 27 HE1 TYR 27 -5.260 -4.449 -12.259 219 HH TYR 27 HH TYR 27 -4.444 -7.779 -11.662 220 H CYS 28 HN CYS 28 -11.466 -5.470 -12.007 221 HA CYS 28 HA CYS 28 -12.794 -7.476 -10.354 222 1HB CYS 28 HB2 CYS 28 -12.946 -7.108 -13.350 223 2HB CYS 28 HB1 CYS 28 -14.070 -7.989 -12.320 224 HG CYS 28 HG CYS 28 -13.793 -4.927 -11.904 225 H VAL 29 HN VAL 29 -12.344 -9.603 -10.308 226 HA VAL 29 HA VAL 29 -10.341 -10.747 -12.153 227 HB VAL 29 HB VAL 29 -10.326 -11.142 -9.150 228 1HG1 VAL 29 HG13 VAL 29 -9.012 -12.517 -11.373 229 2HG1 VAL 29 HG12 VAL 29 -7.889 -11.961 -10.132 230 3HG1 VAL 29 HG11 VAL 29 -9.230 -13.020 -9.696 231 1HG2 VAL 29 HG21 VAL 29 -8.657 -9.376 -10.916 232 2HG2 VAL 29 HG23 VAL 29 -9.529 -8.965 -9.439 233 3HG2 VAL 29 HG22 VAL 29 -8.071 -9.956 -9.355 234 H ILE 30 HN ILE 30 -11.511 -12.253 -13.189 235 HA ILE 30 HA ILE 30 -13.712 -13.647 -11.899 236 HB ILE 30 HB ILE 30 -12.531 -14.025 -14.658 237 1HG1 ILE 30 HG12 ILE 30 -14.971 -12.445 -13.826 238 2HG1 ILE 30 HG11 ILE 30 -13.415 -11.729 -14.220 239 1HG2 ILE 30 HG23 ILE 30 -14.959 -15.128 -13.285 240 2HG2 ILE 30 HG22 ILE 30 -14.953 -14.902 -15.035 241 3HG2 ILE 30 HG21 ILE 30 -13.765 -15.963 -14.281 242 1HD1 ILE 30 HD11 ILE 30 -13.550 -12.676 -16.482 243 2HD1 ILE 30 HD13 ILE 30 -15.121 -13.378 -16.092 244 3HD1 ILE 30 HD12 ILE 30 -14.927 -11.624 -16.139 245 H ASN 31 HN ASN 31 -13.351 -15.344 -10.630 246 HA ASN 31 HA ASN 31 -11.046 -17.128 -11.166 247 1HB ASN 31 HB2 ASN 31 -11.107 -15.852 -8.960 248 2HB ASN 31 HB1 ASN 31 -12.504 -16.831 -8.524 249 1HD2 ASN 31 HD22 ASN 31 -10.616 -19.685 -7.731 250 2HD2 ASN 31 HD21 ASN 31 -12.176 -18.937 -7.869 251 H ASN 32 HN ASN 32 -12.135 -18.406 -12.653 252 HA ASN 32 HA ASN 32 -13.291 -20.212 -13.367 253 1HB ASN 32 HB2 ASN 32 -12.463 -21.211 -11.211 254 2HB ASN 32 HB1 ASN 32 -14.004 -20.781 -10.475 255 1HD2 ASN 32 HD22 ASN 32 -14.036 -23.590 -13.491 256 2HD2 ASN 32 HD21 ASN 32 -12.920 -22.260 -13.544 257 H GLN 33 HN GLN 33 -15.565 -19.922 -10.695 258 HA GLN 33 HA GLN 33 -17.559 -18.786 -12.572 259 1HB GLN 33 HB2 GLN 33 -17.952 -20.957 -10.502 260 2HB GLN 33 HB1 GLN 33 -19.259 -20.183 -11.397 261 1HG GLN 33 HG2 GLN 33 -16.956 -21.632 -12.731 262 2HG GLN 33 HG1 GLN 33 -18.490 -22.398 -12.333 263 1HE2 GLN 33 HE22 GLN 33 -18.189 -19.911 -15.534 264 2HE2 GLN 33 HE21 GLN 33 -16.883 -20.115 -14.417 265 H GLU 34 HN GLU 34 -15.766 -17.699 -10.285 266 HA GLU 34 HA GLU 34 -17.870 -16.049 -9.074 267 1HB GLU 34 HB2 GLU 34 -17.329 -17.921 -7.486 268 2HB GLU 34 HB1 GLU 34 -15.666 -17.342 -7.444 269 1HG GLU 34 HG2 GLU 34 -16.373 -15.227 -6.494 270 2HG GLU 34 HG1 GLU 34 -18.070 -15.657 -6.695 271 H MET 35 HN MET 35 -17.306 -13.986 -9.436 272 HA MET 35 HA MET 35 -14.474 -13.346 -9.939 273 1HB MET 35 HB2 MET 35 -15.267 -11.323 -11.034 274 2HB MET 35 HB1 MET 35 -16.045 -12.741 -11.723 275 1HG MET 35 HG2 MET 35 -18.069 -12.295 -10.433 276 2HG MET 35 HG1 MET 35 -17.299 -10.915 -9.659 277 1HE MET 35 HE1 MET 35 -19.608 -9.909 -10.344 278 2HE MET 35 HE3 MET 35 -19.915 -9.171 -11.925 279 3HE MET 35 HE2 MET 35 -20.223 -10.891 -11.673 280 H GLY 36 HN GLY 36 -13.438 -11.688 -8.880 281 1HA GLY 36 HA2 GLY 36 -14.701 -10.765 -6.363 282 2HA GLY 36 HA1 GLY 36 -12.998 -11.140 -6.533 283 H PHE 37 HN PHE 37 -14.852 -8.637 -6.043 284 HA PHE 37 HA PHE 37 -13.685 -6.750 -7.988 285 1HB PHE 37 HB2 PHE 37 -15.821 -6.405 -5.864 286 2HB PHE 37 HB1 PHE 37 -15.246 -5.122 -6.920 287 HD1 PHE 37 HD1 PHE 37 -15.216 -5.943 -9.549 288 HD2 PHE 37 HD2 PHE 37 -17.846 -7.320 -6.471 289 HE1 PHE 37 HE1 PHE 37 -16.866 -6.610 -11.246 290 HE2 PHE 37 HE2 PHE 37 -19.495 -7.982 -8.184 291 HZ PHE 37 HZ PHE 37 -18.987 -7.615 -10.582 292 H TYR 38 HN TYR 38 -11.602 -6.403 -7.344 293 HA TYR 38 HA TYR 38 -11.063 -5.690 -4.521 294 1HB TYR 38 HB2 TYR 38 -9.176 -6.502 -6.741 295 2HB TYR 38 HB1 TYR 38 -8.712 -6.140 -5.085 296 HD1 TYR 38 HD1 TYR 38 -9.683 -7.558 -3.234 297 HD2 TYR 38 HD2 TYR 38 -9.900 -8.661 -7.339 298 HE1 TYR 38 HE1 TYR 38 -10.121 -9.884 -2.572 299 HE2 TYR 38 HE2 TYR 38 -10.325 -10.995 -6.689 300 HH TYR 38 HH TYR 38 -11.392 -12.123 -4.417 301 H LYS 39 HN LYS 39 -9.127 -4.096 -4.381 302 HA LYS 39 HA LYS 39 -9.980 -1.599 -5.534 303 1HB LYS 39 HB2 LYS 39 -8.776 -2.248 -3.205 304 2HB LYS 39 HB1 LYS 39 -7.361 -1.775 -4.138 305 1HG LYS 39 HG2 LYS 39 -9.121 0.249 -4.718 306 2HG LYS 39 HG1 LYS 39 -9.550 -0.138 -3.054 307 1HD LYS 39 HD2 LYS 39 -7.892 1.459 -2.771 308 2HD LYS 39 HD1 LYS 39 -6.985 -0.042 -2.627 309 1HE LYS 39 HE2 LYS 39 -5.617 0.963 -4.141 310 2HE LYS 39 HE1 LYS 39 -6.792 0.344 -5.298 311 1HZ LYS 39 HZ2 LYS 39 -7.807 2.747 -4.427 312 2HZ LYS 39 HZ1 LYS 39 -6.140 3.032 -4.661 313 3HZ LYS 39 HZ3 LYS 39 -7.091 2.424 -5.935 314 H ASP 40 HN ASP 40 -7.112 -3.661 -5.856 315 HA ASP 40 HA ASP 40 -6.621 -2.836 -8.573 316 1HB ASP 40 HB2 ASP 40 -4.492 -1.807 -8.298 317 2HB ASP 40 HB1 ASP 40 -5.570 -0.986 -7.177 318 H ALA 41 HN ALA 41 -4.089 -3.729 -8.944 319 HA ALA 41 HA ALA 41 -4.340 -6.552 -8.903 320 1HB ALA 41 HB1 ALA 41 -2.946 -5.381 -10.547 321 2HB ALA 41 HB3 ALA 41 -1.844 -4.871 -9.269 322 3HB ALA 41 HB2 ALA 41 -2.000 -6.584 -9.670 323 H LYS 42 HN LYS 42 -2.613 -4.314 -6.752 324 HA LYS 42 HA LYS 42 -1.276 -6.318 -5.212 325 1HB LYS 42 HB2 LYS 42 -2.021 -3.502 -4.403 326 2HB LYS 42 HB1 LYS 42 -0.815 -4.525 -3.634 327 1HG LYS 42 HG2 LYS 42 0.378 -4.590 -5.880 328 2HG LYS 42 HG1 LYS 42 -0.722 -3.321 -6.409 329 1HD LYS 42 HD2 LYS 42 1.371 -3.205 -4.238 330 2HD LYS 42 HD1 LYS 42 1.224 -2.192 -5.673 331 1HE LYS 42 HE2 LYS 42 -0.638 -2.179 -3.278 332 2HE LYS 42 HE1 LYS 42 0.550 -0.949 -3.675 333 1HZ LYS 42 HZ3 LYS 42 -1.765 -1.668 -5.398 334 2HZ LYS 42 HZ2 LYS 42 -1.707 -0.330 -4.333 335 3HZ LYS 42 HZ1 LYS 42 -0.647 -0.415 -5.665 336 H SER 43 HN SER 43 -4.305 -4.487 -4.716 337 HA SER 43 HA SER 43 -4.989 -5.692 -2.222 338 1HB SER 43 HB2 SER 43 -6.834 -4.455 -4.271 339 2HB SER 43 HB1 SER 43 -7.182 -4.712 -2.565 340 HG SER 43 HG SER 43 -5.375 -2.879 -3.767 341 H ALA 44 HN ALA 44 -5.432 -6.664 -5.561 342 HA ALA 44 HA ALA 44 -7.416 -8.684 -5.073 343 1HB ALA 44 HB1 ALA 44 -7.128 -7.679 -7.292 344 2HB ALA 44 HB3 ALA 44 -5.507 -8.361 -7.399 345 3HB ALA 44 HB2 ALA 44 -6.913 -9.427 -7.356 346 H ALA 45 HN ALA 45 -3.893 -8.627 -5.301 347 HA ALA 45 HA ALA 45 -3.478 -11.447 -5.147 348 1HB ALA 45 HB1 ALA 45 -1.713 -9.041 -4.741 349 2HB ALA 45 HB3 ALA 45 -1.119 -10.674 -4.418 350 3HB ALA 45 HB2 ALA 45 -1.675 -10.243 -6.035 351 H SER 46 HN SER 46 -3.719 -8.876 -2.748 352 HA SER 46 HA SER 46 -3.030 -10.610 -0.512 353 1HB SER 46 HB2 SER 46 -4.169 -7.812 -0.408 354 2HB SER 46 HB1 SER 46 -3.286 -8.662 0.856 355 HG SER 46 HG SER 46 -2.205 -7.047 -0.784 356 H GLY 47 HN GLY 47 -5.913 -9.626 -2.182 357 1HA GLY 47 HA2 GLY 47 -8.067 -10.452 -2.007 358 2HA GLY 47 HA1 GLY 47 -7.555 -11.429 -0.635 359 H ILE 48 HN ILE 48 -7.632 -7.912 -1.252 360 HA ILE 48 HA ILE 48 -8.793 -7.449 1.407 361 HB ILE 48 HB ILE 48 -8.024 -5.337 -0.609 362 1HG1 ILE 48 HG12 ILE 48 -6.240 -6.823 1.337 363 2HG1 ILE 48 HG11 ILE 48 -6.048 -6.722 -0.410 364 1HG2 ILE 48 HG23 ILE 48 -9.330 -4.676 1.396 365 2HG2 ILE 48 HG22 ILE 48 -8.035 -5.311 2.413 366 3HG2 ILE 48 HG21 ILE 48 -7.728 -3.943 1.343 367 1HD1 ILE 48 HD11 ILE 48 -5.886 -4.143 0.030 368 2HD1 ILE 48 HD13 ILE 48 -5.497 -4.641 1.678 369 3HD1 ILE 48 HD12 ILE 48 -4.487 -5.174 0.335 370 HA PRO 49 HA PRO 49 -12.867 -7.170 -0.437 371 1HB PRO 49 HB2 PRO 49 -14.207 -6.206 1.739 372 2HB PRO 49 HB1 PRO 49 -13.742 -7.899 1.523 373 1HG PRO 49 HG2 PRO 49 -12.463 -5.768 3.168 374 2HG PRO 49 HG1 PRO 49 -12.665 -7.490 3.520 375 1HD PRO 49 HD2 PRO 49 -10.316 -6.377 2.651 376 2HD PRO 49 HD1 PRO 49 -10.761 -8.072 2.388 377 H TYR 50 HN TYR 50 -14.109 -5.659 -1.444 378 HA TYR 50 HA TYR 50 -13.587 -2.781 -0.972 379 1HB TYR 50 HB2 TYR 50 -12.418 -3.821 -2.993 380 2HB TYR 50 HB1 TYR 50 -14.018 -4.049 -3.677 381 HD1 TYR 50 HD1 TYR 50 -11.634 -1.465 -2.489 382 HD2 TYR 50 HD2 TYR 50 -15.150 -2.291 -4.773 383 HE1 TYR 50 HE1 TYR 50 -11.568 0.818 -3.422 384 HE2 TYR 50 HE2 TYR 50 -15.075 -0.012 -5.703 385 HH TYR 50 HH TYR 50 -14.125 2.261 -4.958 386 H HIS 51 HN HIS 51 -15.347 -1.476 -1.045 387 HA HIS 51 HA HIS 51 -17.501 -0.794 -0.937 388 1HB HIS 51 HB2 HIS 51 -17.275 -2.327 -3.398 389 2HB HIS 51 HB1 HIS 51 -18.913 -2.378 -2.799 390 HD1 HIS 51 HD1 HIS 51 -20.337 -0.526 -3.493 391 HD2 HIS 51 HD2 HIS 51 -16.341 0.560 -3.510 392 HE1 HIS 51 HE1 HIS 51 -20.297 1.811 -4.417 393 H SER 52 HN SER 52 -19.382 -3.507 -1.742 394 HA SER 52 HA SER 52 -20.026 -3.941 1.081 395 1HB SER 52 HB2 SER 52 -21.929 -5.329 -0.243 396 2HB SER 52 HB1 SER 52 -22.049 -3.607 0.093 397 HG SER 52 HG SER 52 -21.599 -4.923 -2.333 398 H GLU 53 HN GLU 53 -20.481 -6.273 -1.510 399 HA GLU 53 HA GLU 53 -18.837 -8.241 -0.030 400 1HB GLU 53 HB2 GLU 53 -21.231 -8.526 -1.848 401 2HB GLU 53 HB1 GLU 53 -20.183 -9.886 -1.474 402 1HG GLU 53 HG2 GLU 53 -21.713 -10.167 0.196 403 2HG GLU 53 HG1 GLU 53 -20.611 -9.073 1.025 404 H VAL 54 HN VAL 54 -16.903 -8.559 -0.894 405 HA VAL 54 HA VAL 54 -16.169 -7.631 -3.463 406 HB VAL 54 HB VAL 54 -14.484 -7.629 -1.833 407 1HG1 VAL 54 HG22 VAL 54 -15.371 -9.481 -0.413 408 2HG1 VAL 54 HG21 VAL 54 -14.631 -10.620 -1.537 409 3HG1 VAL 54 HG23 VAL 54 -13.625 -9.498 -0.627 410 1HG2 VAL 54 HG12 VAL 54 -13.895 -8.375 -4.227 411 2HG2 VAL 54 HG11 VAL 54 -12.677 -8.556 -2.968 412 3HG2 VAL 54 HG13 VAL 54 -13.604 -9.956 -3.508 413 HA PRO 55 HA PRO 55 -16.398 -12.093 -5.056 414 1HB PRO 55 HB2 PRO 55 -17.582 -14.045 -3.590 415 2HB PRO 55 HB1 PRO 55 -15.884 -13.582 -3.412 416 1HG PRO 55 HG2 PRO 55 -18.115 -13.156 -1.580 417 2HG PRO 55 HG1 PRO 55 -16.376 -13.020 -1.284 418 1HD PRO 55 HD2 PRO 55 -18.312 -10.910 -1.822 419 2HD PRO 55 HD1 PRO 55 -16.637 -10.777 -1.285 420 H VAL 56 HN VAL 56 -17.804 -12.345 -6.694 421 HA VAL 56 HA VAL 56 -20.711 -12.452 -6.147 422 HB VAL 56 HB VAL 56 -19.308 -10.715 -8.186 423 1HG1 VAL 56 HG13 VAL 56 -22.183 -11.589 -8.018 424 2HG1 VAL 56 HG12 VAL 56 -21.728 -10.059 -8.770 425 3HG1 VAL 56 HG11 VAL 56 -21.116 -11.578 -9.424 426 1HG2 VAL 56 HG21 VAL 56 -20.930 -10.224 -5.716 427 2HG2 VAL 56 HG23 VAL 56 -19.444 -9.438 -6.260 428 3HG2 VAL 56 HG22 VAL 56 -20.983 -9.053 -7.028 429 H SER 57 HN SER 57 -21.834 -13.862 -7.428 430 HA SER 57 HA SER 57 -20.468 -16.021 -8.594 431 1HB SER 57 HB2 SER 57 -23.356 -15.249 -8.792 432 2HB SER 57 HB1 SER 57 -22.686 -16.834 -9.106 433 HG SER 57 HG SER 57 -21.815 -16.565 -6.816 434 H LEU 58 HN LEU 58 -20.118 -16.632 -10.631 435 HA LEU 58 HA LEU 58 -20.456 -14.645 -12.797 436 1HB LEU 58 HB2 LEU 58 -18.191 -15.765 -12.042 437 2HB LEU 58 HB1 LEU 58 -18.768 -17.119 -13.001 438 HG LEU 58 HG LEU 58 -17.291 -15.676 -14.285 439 1HD1 LEU 58 HD23 LEU 58 -19.434 -16.812 -15.269 440 2HD1 LEU 58 HD22 LEU 58 -19.972 -15.144 -15.491 441 3HD1 LEU 58 HD21 LEU 58 -18.481 -15.702 -16.250 442 1HD2 LEU 58 HD11 LEU 58 -18.066 -13.567 -12.981 443 2HD2 LEU 58 HD13 LEU 58 -17.607 -13.413 -14.679 444 3HD2 LEU 58 HD12 LEU 58 -19.310 -13.459 -14.229 445 H LYS 59 HN LYS 59 -21.011 -18.022 -11.929 446 HA LYS 59 HA LYS 59 -21.923 -19.117 -14.296 447 1HB LYS 59 HB2 LYS 59 -21.523 -20.404 -12.236 448 2HB LYS 59 HB1 LYS 59 -22.966 -19.696 -11.512 449 1HG LYS 59 HG2 LYS 59 -24.381 -20.759 -13.155 450 2HG LYS 59 HG1 LYS 59 -22.981 -21.316 -14.072 451 1HD LYS 59 HD2 LYS 59 -22.341 -22.564 -11.884 452 2HD LYS 59 HD1 LYS 59 -24.021 -22.299 -11.423 453 1HE LYS 59 HE2 LYS 59 -22.928 -23.937 -13.692 454 2HE LYS 59 HE1 LYS 59 -24.061 -24.413 -12.433 455 1HZ LYS 59 HZ2 LYS 59 -25.641 -22.765 -13.485 456 2HZ LYS 59 HZ1 LYS 59 -24.564 -22.723 -14.817 457 3HZ LYS 59 HZ3 LYS 59 -25.321 -24.181 -14.371 458 H GLU 60 HN GLU 60 -23.621 -18.887 -15.552 459 HA GLU 60 HA GLU 60 -25.603 -18.244 -16.454 460 1HB GLU 60 HB2 GLU 60 -26.524 -18.415 -13.578 461 2HB GLU 60 HB1 GLU 60 -27.600 -18.191 -14.955 462 1HG GLU 60 HG2 GLU 60 -27.156 -20.325 -15.821 463 2HG GLU 60 HG1 GLU 60 -25.676 -20.502 -14.886 464 H ALA 61 HN ALA 61 -23.783 -16.232 -16.106 465 HA ALA 61 HA ALA 61 -25.227 -13.886 -15.063 466 1HB ALA 61 HB2 ALA 61 -22.393 -14.293 -16.049 467 2HB ALA 61 HB1 ALA 61 -23.057 -12.711 -15.639 468 3HB ALA 61 HB3 ALA 61 -22.932 -13.960 -14.401 469 H ILE 62 HN ILE 62 -26.489 -12.775 -16.392 470 HA ILE 62 HA ILE 62 -26.242 -13.071 -19.302 471 HB ILE 62 HB ILE 62 -28.316 -11.666 -17.601 472 1HG1 ILE 62 HG12 ILE 62 -28.621 -14.227 -19.167 473 2HG1 ILE 62 HG11 ILE 62 -28.168 -14.201 -17.466 474 1HG2 ILE 62 HG23 ILE 62 -27.872 -11.776 -20.519 475 2HG2 ILE 62 HG22 ILE 62 -29.523 -12.110 -19.985 476 3HG2 ILE 62 HG21 ILE 62 -28.745 -10.591 -19.545 477 1HD1 ILE 62 HD13 ILE 62 -30.341 -12.596 -17.383 478 2HD1 ILE 62 HD12 ILE 62 -30.774 -13.646 -18.738 479 3HD1 ILE 62 HD11 ILE 62 -30.410 -14.346 -17.164 480 H CYS 63 HN CYS 63 -25.487 -11.473 -20.615 481 HA CYS 63 HA CYS 63 -25.129 -8.769 -19.529 482 1HB CYS 63 HB2 CYS 63 -22.997 -9.494 -19.050 483 2HB CYS 63 HB1 CYS 63 -22.968 -10.654 -20.362 484 HG CYS 63 HG CYS 63 -22.498 -7.602 -20.784 485 H GLU 64 HN GLU 64 -25.108 -7.144 -21.032 486 HA GLU 64 HA GLU 64 -25.604 -7.808 -23.875 487 1HB GLU 64 HB2 GLU 64 -27.093 -5.633 -22.391 488 2HB GLU 64 HB1 GLU 64 -27.419 -6.264 -24.001 489 1HG GLU 64 HG2 GLU 64 -28.176 -8.382 -23.072 490 2HG GLU 64 HG1 GLU 64 -27.728 -7.865 -21.445 491 H VAL 65 HN VAL 65 -25.193 -5.925 -25.303 492 HA VAL 65 HA VAL 65 -22.844 -4.425 -24.379 493 HB VAL 65 HB VAL 65 -24.092 -4.469 -27.133 494 1HG1 VAL 65 HG11 VAL 65 -21.418 -3.574 -26.060 495 2HG1 VAL 65 HG13 VAL 65 -21.697 -3.891 -27.774 496 3HG1 VAL 65 HG12 VAL 65 -22.605 -2.618 -26.949 497 1HG2 VAL 65 HG22 VAL 65 -22.060 -6.294 -25.861 498 2HG2 VAL 65 HG21 VAL 65 -23.547 -6.730 -26.711 499 3HG2 VAL 65 HG23 VAL 65 -22.173 -6.082 -27.609 500 H ALA 66 HN ALA 66 -22.719 -2.229 -24.221 501 HA ALA 66 HA ALA 66 -25.142 -0.599 -24.708 502 1HB ALA 66 HB1 ALA 66 -23.415 -0.600 -22.221 503 2HB ALA 66 HB3 ALA 66 -24.609 0.636 -22.599 504 3HB ALA 66 HB2 ALA 66 -25.122 -1.026 -22.329 505 H LEU 67 HN LEU 67 -24.179 0.117 -26.609 506 HA LEU 67 HA LEU 67 -21.585 1.467 -26.524 507 1HB LEU 67 HB2 LEU 67 -23.058 0.064 -28.488 508 2HB LEU 67 HB1 LEU 67 -22.992 1.730 -29.040 509 HG LEU 67 HG LEU 67 -21.111 0.350 -29.866 510 1HD1 LEU 67 HD22 LEU 67 -20.857 2.783 -29.596 511 2HD1 LEU 67 HD21 LEU 67 -20.236 2.527 -27.966 512 3HD1 LEU 67 HD23 LEU 67 -19.335 1.924 -29.354 513 1HD2 LEU 67 HD11 LEU 67 -21.054 -0.878 -27.505 514 2HD2 LEU 67 HD13 LEU 67 -19.630 -0.775 -28.545 515 3HD2 LEU 67 HD12 LEU 67 -19.817 0.341 -27.190 516 H ASP 68 HN ASP 68 -25.008 2.271 -26.896 517 HA ASP 68 HA ASP 68 -24.351 5.145 -27.111 518 1HB ASP 68 HB2 ASP 68 -26.681 5.429 -27.846 519 2HB ASP 68 HB1 ASP 68 -25.834 4.257 -28.845 520 H TYR 69 HN TYR 69 -24.052 3.831 -24.541 521 HA TYR 69 HA TYR 69 -26.359 4.602 -22.939 522 1HB TYR 69 HB2 TYR 69 -25.110 2.628 -22.273 523 2HB TYR 69 HB1 TYR 69 -23.638 3.576 -22.105 524 HD1 TYR 69 HD1 TYR 69 -27.175 3.558 -20.875 525 HD2 TYR 69 HD2 TYR 69 -23.067 4.311 -19.979 526 HE1 TYR 69 HE1 TYR 69 -27.777 4.097 -18.545 527 HE2 TYR 69 HE2 TYR 69 -23.675 4.850 -17.657 528 HH TYR 69 HH TYR 69 -26.729 4.169 -16.322 529 H LYS 70 HN LYS 70 -26.117 6.838 -23.903 530 HA LYS 70 HA LYS 70 -25.840 9.070 -23.517 531 1HB LYS 70 HB2 LYS 70 -24.337 8.376 -20.986 532 2HB LYS 70 HB1 LYS 70 -25.117 9.898 -21.390 533 1HG LYS 70 HG2 LYS 70 -26.505 7.255 -20.888 534 2HG LYS 70 HG1 LYS 70 -26.497 8.654 -19.823 535 1HD LYS 70 HD2 LYS 70 -27.606 9.958 -21.653 536 2HD LYS 70 HD1 LYS 70 -27.778 8.454 -22.550 537 1HE LYS 70 HE2 LYS 70 -28.884 8.938 -19.773 538 2HE LYS 70 HE1 LYS 70 -29.820 9.099 -21.253 539 1HZ LYS 70 HZ3 LYS 70 -28.736 6.623 -21.472 540 2HZ LYS 70 HZ2 LYS 70 -29.085 6.741 -19.803 541 3HZ LYS 70 HZ1 LYS 70 -30.322 6.975 -20.952 542 H LYS 71 HN LYS 71 -22.879 7.372 -22.501 543 HA LYS 71 HA LYS 71 -21.219 9.301 -23.989 544 1HB LYS 71 HB2 LYS 71 -20.053 7.060 -22.364 545 2HB LYS 71 HB1 LYS 71 -19.445 8.691 -22.635 546 1HG LYS 71 HG2 LYS 71 -21.337 9.552 -21.223 547 2HG LYS 71 HG1 LYS 71 -21.743 7.882 -20.845 548 1HD LYS 71 HD2 LYS 71 -20.404 8.599 -19.033 549 2HD LYS 71 HD1 LYS 71 -19.338 7.619 -20.034 550 1HE LYS 71 HE2 LYS 71 -18.272 9.711 -19.226 551 2HE LYS 71 HE1 LYS 71 -18.323 9.603 -20.980 552 1HZ LYS 71 HZ1 LYS 71 -20.614 10.914 -19.810 553 2HZ LYS 71 HZ3 LYS 71 -19.141 11.718 -19.529 554 3HZ LYS 71 HZ2 LYS 71 -19.635 11.380 -21.129 555 H LYS 72 HN LYS 72 -20.374 8.781 -25.919 556 HA LYS 72 HA LYS 72 -20.928 6.199 -27.137 557 1HB LYS 72 HB2 LYS 72 -19.350 8.545 -28.215 558 2HB LYS 72 HB1 LYS 72 -19.974 7.187 -29.147 559 1HG LYS 72 HG2 LYS 72 -22.273 7.857 -28.578 560 2HG LYS 72 HG1 LYS 72 -21.654 9.222 -27.651 561 1HD LYS 72 HD2 LYS 72 -20.931 10.357 -29.565 562 2HD LYS 72 HD1 LYS 72 -20.877 8.894 -30.540 563 1HE LYS 72 HE2 LYS 72 -23.453 10.062 -29.481 564 2HE LYS 72 HE1 LYS 72 -22.774 10.509 -31.043 565 1HZ LYS 72 HZ1 LYS 72 -22.749 7.762 -31.009 566 2HZ LYS 72 HZ3 LYS 72 -24.245 8.182 -30.310 567 3HZ LYS 72 HZ2 LYS 72 -23.826 8.770 -31.864 568 H LYS 73 HN LYS 73 -19.517 5.348 -25.214 569 HA LYS 73 HA LYS 73 -16.693 5.099 -26.067 570 1HB LYS 73 HB2 LYS 73 -17.903 4.711 -23.313 571 2HB LYS 73 HB1 LYS 73 -16.193 4.570 -23.727 572 1HG LYS 73 HG2 LYS 73 -16.145 6.928 -24.392 573 2HG LYS 73 HG1 LYS 73 -17.858 7.080 -24.009 574 1HD LYS 73 HD2 LYS 73 -17.382 7.484 -21.870 575 2HD LYS 73 HD1 LYS 73 -16.526 5.954 -21.751 576 1HE LYS 73 HE2 LYS 73 -15.279 8.489 -22.828 577 2HE LYS 73 HE1 LYS 73 -15.159 7.980 -21.146 578 1HZ LYS 73 HZ1 LYS 73 -14.264 5.803 -22.178 579 2HZ LYS 73 HZ3 LYS 73 -13.956 6.775 -23.553 580 3HZ LYS 73 HZ2 LYS 73 -13.239 7.158 -22.053 581 H HIS 74 HN HIS 74 -17.150 2.861 -23.766 582 HA HIS 74 HA HIS 74 -18.328 0.745 -25.421 583 1HB HIS 74 HB2 HIS 74 -15.459 0.783 -24.453 584 2HB HIS 74 HB1 HIS 74 -16.293 -0.709 -24.864 585 HD1 HIS 74 HD1 HIS 74 -14.147 1.710 -26.361 586 HD2 HIS 74 HD2 HIS 74 -17.380 -0.502 -27.694 587 HE1 HIS 74 HE1 HIS 74 -14.001 1.791 -28.860 588 H VAL 75 HN VAL 75 -19.977 0.654 -23.871 589 HA VAL 75 HA VAL 75 -19.187 -0.342 -21.190 590 HB VAL 75 HB VAL 75 -21.654 1.233 -21.971 591 1HG1 VAL 75 HG12 VAL 75 -20.744 0.109 -19.335 592 2HG1 VAL 75 HG11 VAL 75 -21.887 1.450 -19.447 593 3HG1 VAL 75 HG13 VAL 75 -22.292 -0.110 -20.156 594 1HG2 VAL 75 HG22 VAL 75 -19.001 2.111 -21.224 595 2HG2 VAL 75 HG21 VAL 75 -20.383 3.048 -21.790 596 3HG2 VAL 75 HG23 VAL 75 -20.216 2.684 -20.074 597 H PHE 76 HN PHE 76 -20.673 -1.912 -20.256 598 HA PHE 76 HA PHE 76 -22.566 -3.211 -22.046 599 1HB PHE 76 HB2 PHE 76 -21.608 -5.448 -21.720 600 2HB PHE 76 HB1 PHE 76 -20.546 -4.391 -22.629 601 HD1 PHE 76 HD1 PHE 76 -18.519 -3.426 -21.525 602 HD2 PHE 76 HD2 PHE 76 -20.923 -6.436 -19.687 603 HE1 PHE 76 HE1 PHE 76 -16.652 -3.999 -20.023 604 HE2 PHE 76 HE2 PHE 76 -19.061 -7.004 -18.181 605 HZ PHE 76 HZ PHE 76 -16.923 -5.791 -18.352 606 H LYS 77 HN LYS 77 -24.083 -4.466 -20.995 607 HA LYS 77 HA LYS 77 -24.473 -3.782 -18.171 608 1HB LYS 77 HB2 LYS 77 -26.267 -5.149 -20.187 609 2HB LYS 77 HB1 LYS 77 -26.725 -4.787 -18.529 610 1HG LYS 77 HG2 LYS 77 -25.702 -2.394 -19.693 611 2HG LYS 77 HG1 LYS 77 -26.854 -3.088 -20.829 612 1HD LYS 77 HD2 LYS 77 -27.541 -2.824 -17.899 613 2HD LYS 77 HD1 LYS 77 -27.718 -1.459 -18.997 614 1HE LYS 77 HE2 LYS 77 -29.789 -2.288 -19.347 615 2HE LYS 77 HE1 LYS 77 -28.969 -3.407 -20.430 616 1HZ LYS 77 HZ2 LYS 77 -29.627 -3.931 -17.573 617 2HZ LYS 77 HZ1 LYS 77 -30.449 -4.560 -18.930 618 3HZ LYS 77 HZ3 LYS 77 -28.839 -5.013 -18.636 619 H LEU 78 HN LEU 78 -24.789 -5.263 -16.563 620 HA LEU 78 HA LEU 78 -24.222 -8.108 -17.105 621 1HB LEU 78 HB2 LEU 78 -22.154 -6.940 -16.301 622 2HB LEU 78 HB1 LEU 78 -23.003 -6.495 -14.840 623 HG LEU 78 HG LEU 78 -21.429 -8.608 -14.964 624 1HD1 LEU 78 HD23 LEU 78 -22.972 -7.701 -13.099 625 2HD1 LEU 78 HD22 LEU 78 -24.028 -9.041 -13.549 626 3HD1 LEU 78 HD21 LEU 78 -22.382 -9.358 -12.999 627 1HD2 LEU 78 HD12 LEU 78 -22.761 -9.603 -16.865 628 2HD2 LEU 78 HD11 LEU 78 -22.463 -10.660 -15.487 629 3HD2 LEU 78 HD13 LEU 78 -24.044 -9.911 -15.688 630 H ARG 79 HN ARG 79 -26.147 -8.958 -16.643 631 HA ARG 79 HA ARG 79 -27.656 -8.031 -14.270 632 1HB ARG 79 HB2 ARG 79 -28.646 -8.009 -16.654 633 2HB ARG 79 HB1 ARG 79 -28.718 -9.760 -16.499 634 1HG ARG 79 HG2 ARG 79 -30.067 -9.444 -14.403 635 2HG ARG 79 HG1 ARG 79 -30.098 -7.727 -14.748 636 1HD ARG 79 HD2 ARG 79 -31.239 -9.920 -16.486 637 2HD ARG 79 HD1 ARG 79 -32.151 -8.720 -15.566 638 HE ARG 79 HE ARG 79 -30.273 -7.650 -17.533 639 1HH1 ARG 79 HH21 ARG 79 -32.509 -5.922 -16.742 640 2HH1 ARG 79 HH22 ARG 79 -33.674 -6.126 -18.030 641 1HH2 ARG 79 HH11 ARG 79 -32.208 -9.101 -19.230 642 2HH2 ARG 79 HH12 ARG 79 -33.482 -7.934 -19.456 643 H LEU 80 HN LEU 80 -27.853 -9.339 -12.581 644 HA LEU 80 HA LEU 80 -26.794 -12.079 -12.676 645 1HB LEU 80 HB2 LEU 80 -27.632 -10.266 -10.399 646 2HB LEU 80 HB1 LEU 80 -27.130 -11.938 -10.169 647 HG LEU 80 HG LEU 80 -25.460 -9.708 -11.360 648 1HD1 LEU 80 HD11 LEU 80 -25.854 -9.738 -8.842 649 2HD1 LEU 80 HD13 LEU 80 -24.948 -11.250 -8.824 650 3HD1 LEU 80 HD12 LEU 80 -24.173 -9.767 -9.378 651 1HD2 LEU 80 HD21 LEU 80 -25.030 -12.662 -11.155 652 2HD2 LEU 80 HD23 LEU 80 -24.636 -11.558 -12.473 653 3HD2 LEU 80 HD22 LEU 80 -23.649 -11.571 -11.012 654 H SER 81 HN SER 81 -28.012 -13.887 -12.158 655 HA SER 81 HA SER 81 -30.713 -13.945 -12.976 656 1HB SER 81 HB2 SER 81 -29.289 -16.007 -11.286 657 2HB SER 81 HB1 SER 81 -30.698 -16.262 -12.312 658 HG SER 81 HG SER 81 -28.034 -15.641 -13.111 659 H ASP 82 HN ASP 82 -29.332 -13.363 -9.832 660 HA ASP 82 HA ASP 82 -31.656 -14.008 -8.266 661 1HB ASP 82 HB2 ASP 82 -29.491 -14.010 -7.198 662 2HB ASP 82 HB1 ASP 82 -29.193 -12.341 -7.676 663 H GLY 83 HN GLY 83 -30.152 -10.812 -8.843 664 1HA GLY 83 HA2 GLY 83 -32.225 -9.401 -9.934 665 2HA GLY 83 HA1 GLY 83 -32.577 -9.399 -8.204 666 H ASN 84 HN ASN 84 -30.138 -8.553 -10.639 667 HA ASN 84 HA ASN 84 -29.418 -6.144 -9.236 668 1HB ASN 84 HB2 ASN 84 -27.802 -8.566 -8.887 669 2HB ASN 84 HB1 ASN 84 -26.865 -7.255 -9.600 670 1HD2 ASN 84 HD22 ASN 84 -27.550 -7.213 -5.695 671 2HD2 ASN 84 HD21 ASN 84 -27.736 -8.597 -6.729 672 H GLU 85 HN GLU 85 -28.481 -4.683 -10.622 673 HA GLU 85 HA GLU 85 -27.819 -5.575 -13.367 674 1HB GLU 85 HB2 GLU 85 -29.765 -3.427 -12.510 675 2HB GLU 85 HB1 GLU 85 -28.966 -3.365 -14.081 676 1HG GLU 85 HG2 GLU 85 -29.877 -5.978 -13.933 677 2HG GLU 85 HG1 GLU 85 -31.164 -5.080 -13.147 678 H TYR 86 HN TYR 86 -25.684 -5.166 -13.410 679 HA TYR 86 HA TYR 86 -24.701 -2.531 -12.454 680 1HB TYR 86 HB2 TYR 86 -23.135 -5.098 -12.812 681 2HB TYR 86 HB1 TYR 86 -22.504 -3.569 -12.223 682 HD1 TYR 86 HD1 TYR 86 -23.704 -2.592 -10.099 683 HD2 TYR 86 HD2 TYR 86 -23.811 -6.699 -11.273 684 HE1 TYR 86 HE1 TYR 86 -24.318 -3.239 -7.800 685 HE2 TYR 86 HE2 TYR 86 -24.410 -7.337 -8.973 686 HH TYR 86 HH TYR 86 -24.702 -6.649 -6.876 687 H LEU 87 HN LEU 87 -23.364 -1.322 -13.763 688 HA LEU 87 HA LEU 87 -23.234 -2.076 -16.629 689 1HB LEU 87 HB2 LEU 87 -22.941 0.656 -15.342 690 2HB LEU 87 HB1 LEU 87 -22.888 0.316 -17.069 691 HG LEU 87 HG LEU 87 -25.237 0.072 -15.211 692 1HD1 LEU 87 HD11 LEU 87 -24.497 1.850 -17.505 693 2HD1 LEU 87 HD13 LEU 87 -26.190 1.579 -17.095 694 3HD1 LEU 87 HD12 LEU 87 -25.098 2.280 -15.903 695 1HD2 LEU 87 HD22 LEU 87 -24.859 -1.038 -17.975 696 2HD2 LEU 87 HD21 LEU 87 -25.550 -1.816 -16.551 697 3HD2 LEU 87 HD23 LEU 87 -26.457 -0.565 -17.396 698 H PHE 88 HN PHE 88 -21.271 -2.434 -17.501 699 HA PHE 88 HA PHE 88 -18.874 -1.727 -15.913 700 1HB PHE 88 HB2 PHE 88 -19.536 -4.225 -17.442 701 2HB PHE 88 HB1 PHE 88 -17.868 -3.771 -17.100 702 HD1 PHE 88 HD1 PHE 88 -17.065 -3.609 -14.756 703 HD2 PHE 88 HD2 PHE 88 -20.950 -5.077 -15.743 704 HE1 PHE 88 HE1 PHE 88 -17.267 -4.588 -12.509 705 HE2 PHE 88 HE2 PHE 88 -21.155 -6.068 -13.509 706 HZ PHE 88 HZ PHE 88 -19.255 -5.811 -11.868 707 H GLN 89 HN GLN 89 -17.455 -0.466 -16.890 708 HA GLN 89 HA GLN 89 -17.610 -0.126 -19.830 709 1HB GLN 89 HB2 GLN 89 -18.161 1.981 -19.268 710 2HB GLN 89 HB1 GLN 89 -17.589 1.807 -17.627 711 1HG GLN 89 HG2 GLN 89 -15.274 2.211 -18.392 712 2HG GLN 89 HG1 GLN 89 -15.864 2.379 -20.049 713 1HE2 GLN 89 HE22 GLN 89 -16.159 5.819 -19.473 714 2HE2 GLN 89 HE21 GLN 89 -15.455 4.524 -20.400 715 H ALA 90 HN ALA 90 -15.847 -0.420 -20.991 716 HA ALA 90 HA ALA 90 -13.302 -1.104 -19.634 717 1HB ALA 90 HB3 ALA 90 -14.525 -1.947 -22.266 718 2HB ALA 90 HB2 ALA 90 -12.820 -2.206 -21.897 719 3HB ALA 90 HB1 ALA 90 -14.063 -2.960 -20.900 720 H LYS 91 HN LYS 91 -11.307 -0.522 -20.874 721 HA LYS 91 HA LYS 91 -11.528 2.232 -21.903 722 1HB LYS 91 HB2 LYS 91 -9.029 2.241 -21.659 723 2HB LYS 91 HB1 LYS 91 -9.928 2.030 -20.165 724 1HG LYS 91 HG2 LYS 91 -9.229 -0.502 -21.453 725 2HG LYS 91 HG1 LYS 91 -7.826 0.462 -21.011 726 1HD LYS 91 HD2 LYS 91 -8.632 0.623 -18.704 727 2HD LYS 91 HD1 LYS 91 -10.086 -0.267 -19.137 728 1HE LYS 91 HE2 LYS 91 -8.922 -2.062 -18.388 729 2HE LYS 91 HE1 LYS 91 -8.197 -2.014 -19.991 730 1HZ LYS 91 HZ3 LYS 91 -7.003 -0.453 -17.791 731 2HZ LYS 91 HZ2 LYS 91 -6.699 -2.123 -17.921 732 3HZ LYS 91 HZ1 LYS 91 -6.270 -1.080 -19.200 733 H ASP 92 HN ASP 92 -11.382 -0.873 -23.123 734 HA ASP 92 HA ASP 92 -10.674 0.116 -25.804 735 1HB ASP 92 HB2 ASP 92 -8.641 -0.992 -24.624 736 2HB ASP 92 HB1 ASP 92 -9.522 -2.503 -24.840 737 H ASP 93 HN ASP 93 -11.475 -1.224 -27.512 738 HA ASP 93 HA ASP 93 -14.013 -2.454 -26.943 739 1HB ASP 93 HB2 ASP 93 -14.046 -2.930 -29.411 740 2HB ASP 93 HB1 ASP 93 -13.851 -1.233 -28.991 741 H GLU 94 HN GLU 94 -10.743 -3.620 -27.567 742 HA GLU 94 HA GLU 94 -11.448 -6.379 -28.027 743 1HB GLU 94 HB2 GLU 94 -8.877 -4.997 -27.239 744 2HB GLU 94 HB1 GLU 94 -8.987 -6.750 -27.367 745 1HG GLU 94 HG2 GLU 94 -9.891 -5.006 -29.646 746 2HG GLU 94 HG1 GLU 94 -8.182 -5.381 -29.433 747 H GLU 95 HN GLU 95 -10.561 -4.432 -25.245 748 HA GLU 95 HA GLU 95 -10.451 -6.466 -23.265 749 1HB GLU 95 HB2 GLU 95 -9.584 -4.084 -23.114 750 2HB GLU 95 HB1 GLU 95 -11.249 -3.576 -22.864 751 1HG GLU 95 HG2 GLU 95 -11.111 -5.481 -20.973 752 2HG GLU 95 HG1 GLU 95 -9.406 -5.052 -21.041 753 H MET 96 HN MET 96 -13.018 -4.267 -24.348 754 HA MET 96 HA MET 96 -15.096 -4.996 -22.618 755 1HB MET 96 HB2 MET 96 -15.095 -3.045 -24.181 756 2HB MET 96 HB1 MET 96 -15.348 -4.159 -25.519 757 1HG MET 96 HG2 MET 96 -17.437 -4.939 -24.296 758 2HG MET 96 HG1 MET 96 -17.204 -3.570 -23.219 759 1HE MET 96 HE1 MET 96 -17.535 -4.821 -26.728 760 2HE MET 96 HE3 MET 96 -19.250 -4.419 -26.588 761 3HE MET 96 HE2 MET 96 -18.208 -3.496 -27.671 762 H ASN 97 HN ASN 97 -14.271 -6.290 -25.832 763 HA ASN 97 HA ASN 97 -16.339 -8.204 -26.006 764 1HB ASN 97 HB2 ASN 97 -14.791 -7.324 -27.860 765 2HB ASN 97 HB1 ASN 97 -13.615 -8.507 -27.285 766 1HD2 ASN 97 HD22 ASN 97 -15.069 -10.771 -29.531 767 2HD2 ASN 97 HD21 ASN 97 -13.672 -9.848 -29.054 768 H THR 98 HN THR 98 -13.003 -8.486 -24.778 769 HA THR 98 HA THR 98 -13.039 -11.268 -24.250 770 HB THR 98 HB THR 98 -11.437 -9.145 -22.804 771 HG1 THR 98 HG1 THR 98 -11.100 -8.950 -25.028 772 1HG2 THR 98 HG21 THR 98 -11.137 -12.128 -23.133 773 2HG2 THR 98 HG23 THR 98 -9.760 -11.090 -22.753 774 3HG2 THR 98 HG22 THR 98 -11.129 -11.173 -21.645 775 H TRP 99 HN TRP 99 -13.911 -8.473 -22.215 776 HA TRP 99 HA TRP 99 -14.382 -9.889 -19.799 777 1HB TRP 99 HB2 TRP 99 -15.360 -7.251 -20.885 778 2HB TRP 99 HB1 TRP 99 -15.985 -7.876 -19.365 779 HD1 TRP 99 HD1 TRP 99 -13.482 -5.536 -20.478 780 HE1 TRP 99 HE1 TRP 99 -11.648 -5.215 -18.735 781 HE3 TRP 99 HE3 TRP 99 -14.373 -9.618 -17.499 782 HZ2 TRP 99 HZ2 TRP 99 -10.676 -6.487 -16.429 783 HZ3 TRP 99 HZ3 TRP 99 -12.935 -10.000 -15.535 784 HH2 TRP 99 HH2 TRP 99 -11.106 -8.447 -15.006 785 H ILE 100 HN ILE 100 -16.639 -8.798 -22.333 786 HA ILE 100 HA ILE 100 -19.015 -9.839 -21.297 787 HB ILE 100 HB ILE 100 -18.117 -9.347 -24.139 788 1HG1 ILE 100 HG12 ILE 100 -20.076 -7.812 -22.428 789 2HG1 ILE 100 HG11 ILE 100 -18.364 -7.420 -22.510 790 1HG2 ILE 100 HG21 ILE 100 -20.805 -10.238 -23.120 791 2HG2 ILE 100 HG23 ILE 100 -20.626 -9.340 -24.626 792 3HG2 ILE 100 HG22 ILE 100 -19.849 -10.914 -24.441 793 1HD1 ILE 100 HD13 ILE 100 -20.158 -7.549 -24.942 794 2HD1 ILE 100 HD12 ILE 100 -19.847 -6.063 -24.042 795 3HD1 ILE 100 HD11 ILE 100 -18.520 -6.903 -24.847 796 H GLN 101 HN GLN 101 -16.632 -11.419 -23.433 797 HA GLN 101 HA GLN 101 -18.078 -13.843 -23.790 798 1HB GLN 101 HB2 GLN 101 -15.181 -13.087 -24.102 799 2HB GLN 101 HB1 GLN 101 -15.731 -14.742 -24.353 800 1HG GLN 101 HG2 GLN 101 -17.315 -13.959 -26.074 801 2HG GLN 101 HG1 GLN 101 -16.768 -12.303 -25.820 802 1HE2 GLN 101 HE22 GLN 101 -14.369 -14.985 -27.784 803 2HE2 GLN 101 HE21 GLN 101 -15.684 -15.525 -26.774 804 H ALA 102 HN ALA 102 -15.528 -12.912 -21.482 805 HA ALA 102 HA ALA 102 -15.270 -15.433 -20.207 806 1HB ALA 102 HB1 ALA 102 -14.633 -12.614 -19.327 807 2HB ALA 102 HB3 ALA 102 -14.322 -14.018 -18.300 808 3HB ALA 102 HB2 ALA 102 -13.521 -13.876 -19.864 809 H ILE 103 HN ILE 103 -17.300 -12.616 -19.485 810 HA ILE 103 HA ILE 103 -18.434 -13.702 -17.097 811 HB ILE 103 HB ILE 103 -19.298 -11.472 -18.936 812 1HG1 ILE 103 HG12 ILE 103 -18.238 -11.149 -16.144 813 2HG1 ILE 103 HG11 ILE 103 -17.118 -11.418 -17.475 814 1HG2 ILE 103 HG22 ILE 103 -20.545 -12.503 -16.415 815 2HG2 ILE 103 HG21 ILE 103 -20.592 -10.777 -16.771 816 3HG2 ILE 103 HG23 ILE 103 -21.317 -11.927 -17.896 817 1HD1 ILE 103 HD13 ILE 103 -18.397 -9.467 -18.632 818 2HD1 ILE 103 HD12 ILE 103 -18.961 -9.099 -16.998 819 3HD1 ILE 103 HD11 ILE 103 -17.232 -9.095 -17.356 820 H SER 104 HN SER 104 -19.246 -13.950 -20.512 821 HA SER 104 HA SER 104 -21.911 -14.904 -20.213 822 1HB SER 104 HB2 SER 104 -19.894 -15.246 -22.443 823 2HB SER 104 HB1 SER 104 -21.568 -15.767 -22.547 824 HG SER 104 HG SER 104 -20.538 -13.132 -22.323 825 H SER 105 HN SER 105 -18.793 -16.628 -20.642 826 HA SER 105 HA SER 105 -19.755 -18.860 -19.057 827 1HB SER 105 HB2 SER 105 -19.226 -19.229 -22.017 828 2HB SER 105 HB1 SER 105 -19.342 -20.548 -20.859 829 HG SER 105 HG SER 105 -21.472 -18.864 -20.641 830 H ALA 106 HN ALA 106 -17.825 -17.637 -18.056 831 HA ALA 106 HA ALA 106 -15.207 -17.805 -19.003 832 1HB ALA 106 HB3 ALA 106 -16.496 -17.351 -16.399 833 2HB ALA 106 HB2 ALA 106 -14.889 -18.067 -16.276 834 3HB ALA 106 HB1 ALA 106 -15.110 -16.544 -17.135 No H/Q in entry = 834 Start of MODEL 5 1 1H MET 1 HT3 MET 1 -9.585 -13.782 -14.675 2 2H MET 1 HT2 MET 1 -10.331 -14.225 -16.149 3 3H MET 1 HT1 MET 1 -8.656 -14.465 -15.922 4 HA MET 1 HA MET 1 -8.221 -12.507 -16.741 5 1HB MET 1 HB2 MET 1 -11.154 -12.631 -17.121 6 2HB MET 1 HB1 MET 1 -10.470 -11.011 -17.173 7 1HG MET 1 HG2 MET 1 -10.449 -11.807 -19.398 8 2HG MET 1 HG1 MET 1 -8.785 -11.887 -18.839 9 1HE MET 1 HE3 MET 1 -8.053 -13.130 -20.588 10 2HE MET 1 HE2 MET 1 -8.002 -14.893 -20.582 11 3HE MET 1 HE1 MET 1 -9.259 -14.056 -21.493 12 H GLU 2 HN GLU 2 -7.362 -10.813 -15.770 13 HA GLU 2 HA GLU 2 -8.733 -9.568 -13.447 14 1HB GLU 2 HB2 GLU 2 -5.734 -9.735 -13.738 15 2HB GLU 2 HB1 GLU 2 -6.675 -9.312 -12.319 16 1HG GLU 2 HG2 GLU 2 -6.196 -11.452 -11.718 17 2HG GLU 2 HG1 GLU 2 -7.621 -11.798 -12.691 18 H GLY 3 HN GLY 3 -8.715 -7.333 -13.403 19 1HA GLY 3 HA2 GLY 3 -7.021 -5.554 -14.638 20 2HA GLY 3 HA1 GLY 3 -8.207 -5.959 -15.878 21 H PHE 4 HN PHE 4 -8.156 -3.407 -15.205 22 HA PHE 4 HA PHE 4 -10.044 -2.845 -13.051 23 1HB PHE 4 HB2 PHE 4 -8.268 -1.230 -14.804 24 2HB PHE 4 HB1 PHE 4 -9.706 -0.445 -14.169 25 HD1 PHE 4 HD1 PHE 4 -10.121 -0.721 -11.608 26 HD2 PHE 4 HD2 PHE 4 -6.335 -1.272 -13.499 27 HE1 PHE 4 HE1 PHE 4 -8.993 -0.362 -9.452 28 HE2 PHE 4 HE2 PHE 4 -5.204 -0.898 -11.339 29 HZ PHE 4 HZ PHE 4 -6.536 -0.443 -9.316 30 H LEU 5 HN LEU 5 -12.009 -1.890 -13.315 31 HA LEU 5 HA LEU 5 -13.206 -1.578 -15.964 32 1HB LEU 5 HB2 LEU 5 -13.958 -3.712 -13.994 33 2HB LEU 5 HB1 LEU 5 -15.247 -2.904 -14.870 34 HG LEU 5 HG LEU 5 -12.935 -4.407 -16.093 35 1HD1 LEU 5 HD13 LEU 5 -15.794 -5.050 -15.546 36 2HD1 LEU 5 HD12 LEU 5 -15.048 -5.693 -17.008 37 3HD1 LEU 5 HD11 LEU 5 -14.361 -6.073 -15.429 38 1HD2 LEU 5 HD21 LEU 5 -14.952 -2.557 -17.251 39 2HD2 LEU 5 HD23 LEU 5 -13.290 -2.882 -17.754 40 3HD2 LEU 5 HD22 LEU 5 -14.574 -4.020 -18.162 41 H ASN 6 HN ASN 6 -14.933 -0.139 -15.936 42 HA ASN 6 HA ASN 6 -15.241 1.487 -13.509 43 1HB ASN 6 HB2 ASN 6 -16.507 1.895 -16.223 44 2HB ASN 6 HB1 ASN 6 -16.472 3.041 -14.906 45 1HD2 ASN 6 HD22 ASN 6 -13.183 2.586 -17.280 46 2HD2 ASN 6 HD21 ASN 6 -14.528 1.496 -17.380 47 H ARG 7 HN ARG 7 -16.703 0.801 -12.056 48 HA ARG 7 HA ARG 7 -19.012 -0.768 -13.030 49 1HB ARG 7 HB2 ARG 7 -17.380 -1.761 -11.356 50 2HB ARG 7 HB1 ARG 7 -18.007 -0.602 -10.186 51 1HG ARG 7 HG2 ARG 7 -20.203 -1.546 -10.299 52 2HG ARG 7 HG1 ARG 7 -19.787 -2.514 -11.709 53 1HD ARG 7 HD2 ARG 7 -19.326 -4.201 -10.299 54 2HD ARG 7 HD1 ARG 7 -17.921 -3.282 -9.765 55 HE ARG 7 HE ARG 7 -20.035 -2.276 -8.286 56 1HH1 ARG 7 HH21 ARG 7 -21.524 -4.618 -7.949 57 2HH1 ARG 7 HH22 ARG 7 -20.688 -5.589 -6.773 58 1HH2 ARG 7 HH11 ARG 7 -17.655 -3.888 -7.111 59 2HH2 ARG 7 HH12 ARG 7 -18.491 -5.176 -6.310 60 H LYS 8 HN LYS 8 -21.004 -0.095 -12.805 61 HA LYS 8 HA LYS 8 -21.654 2.174 -11.022 62 1HB LYS 8 HB2 LYS 8 -21.496 2.801 -13.487 63 2HB LYS 8 HB1 LYS 8 -22.875 1.749 -13.748 64 1HG LYS 8 HG2 LYS 8 -23.929 3.191 -11.791 65 2HG LYS 8 HG1 LYS 8 -22.733 4.365 -12.318 66 1HD LYS 8 HD2 LYS 8 -24.208 4.997 -13.892 67 2HD LYS 8 HD1 LYS 8 -23.869 3.474 -14.698 68 1HE LYS 8 HE2 LYS 8 -26.063 3.042 -14.470 69 2HE LYS 8 HE1 LYS 8 -25.711 2.721 -12.774 70 1HZ LYS 8 HZ3 LYS 8 -26.295 5.466 -13.701 71 2HZ LYS 8 HZ2 LYS 8 -27.566 4.368 -13.390 72 3HZ LYS 8 HZ1 LYS 8 -26.479 4.795 -12.144 73 H HIS 9 HN HIS 9 -23.519 1.882 -9.873 74 HA HIS 9 HA HIS 9 -24.870 -0.733 -10.179 75 1HB HIS 9 HB2 HIS 9 -24.738 1.183 -7.842 76 2HB HIS 9 HB1 HIS 9 -25.713 -0.279 -7.869 77 HD1 HIS 9 HD1 HIS 9 -24.383 -1.217 -5.864 78 HD2 HIS 9 HD2 HIS 9 -22.075 -0.542 -9.227 79 HE1 HIS 9 HE1 HIS 9 -22.213 -2.385 -5.410 80 H GLU 10 HN GLU 10 -26.771 -0.744 -11.122 81 HA GLU 10 HA GLU 10 -28.436 1.690 -11.200 82 1HB GLU 10 HB2 GLU 10 -28.055 -0.682 -12.967 83 2HB GLU 10 HB1 GLU 10 -29.696 -0.082 -12.830 84 1HG GLU 10 HG2 GLU 10 -27.306 1.581 -13.610 85 2HG GLU 10 HG1 GLU 10 -28.469 0.903 -14.738 86 H TRP 11 HN TRP 11 -28.422 -1.744 -10.341 87 HA TRP 11 HA TRP 11 -30.441 -1.336 -8.320 88 1HB TRP 11 HB2 TRP 11 -31.722 -1.521 -10.493 89 2HB TRP 11 HB1 TRP 11 -31.108 -3.157 -10.646 90 HD1 TRP 11 HD1 TRP 11 -33.473 -1.038 -8.417 91 HE1 TRP 11 HE1 TRP 11 -35.095 -2.663 -7.281 92 HE3 TRP 11 HE3 TRP 11 -31.450 -5.513 -9.875 93 HZ2 TRP 11 HZ2 TRP 11 -35.489 -5.418 -7.004 94 HZ3 TRP 11 HZ3 TRP 11 -32.506 -7.608 -9.130 95 HH2 TRP 11 HH2 TRP 11 -34.499 -7.561 -7.708 96 H GLU 12 HN GLU 12 -29.994 -2.651 -6.700 97 HA GLU 12 HA GLU 12 -28.468 -5.155 -7.167 98 1HB GLU 12 HB2 GLU 12 -28.486 -3.620 -4.563 99 2HB GLU 12 HB1 GLU 12 -27.359 -4.860 -5.105 100 1HG GLU 12 HG2 GLU 12 -26.428 -3.351 -6.771 101 2HG GLU 12 HG1 GLU 12 -27.607 -2.112 -6.355 102 H ALA 13 HN ALA 13 -31.007 -3.537 -5.371 103 HA ALA 13 HA ALA 13 -32.585 -5.949 -5.126 104 1HB ALA 13 HB3 ALA 13 -31.420 -4.569 -2.692 105 2HB ALA 13 HB2 ALA 13 -32.850 -5.603 -2.611 106 3HB ALA 13 HB1 ALA 13 -31.305 -6.275 -3.127 107 H HIS 14 HN HIS 14 -34.753 -5.374 -4.137 108 HA HIS 14 HA HIS 14 -35.678 -2.888 -5.298 109 1HB HIS 14 HB2 HIS 14 -37.931 -3.634 -4.320 110 2HB HIS 14 HB1 HIS 14 -37.216 -4.616 -5.583 111 HD1 HIS 14 HD1 HIS 14 -37.980 -6.898 -5.073 112 HD2 HIS 14 HD2 HIS 14 -36.581 -4.989 -1.673 113 HE1 HIS 14 HE1 HIS 14 -38.038 -8.643 -3.275 114 H ASN 15 HN ASN 15 -34.019 -1.862 -3.718 115 HA ASN 15 HA ASN 15 -35.299 -1.091 -1.162 116 1HB ASN 15 HB2 ASN 15 -32.886 -1.987 -1.290 117 2HB ASN 15 HB1 ASN 15 -32.471 -0.451 -2.044 118 1HD2 ASN 15 HD22 ASN 15 -31.747 0.145 1.443 119 2HD2 ASN 15 HD21 ASN 15 -31.097 -0.642 0.035 120 H LYS 16 HN LYS 16 -33.451 0.363 -3.855 121 HA LYS 16 HA LYS 16 -35.314 2.418 -4.400 122 1HB LYS 16 HB2 LYS 16 -33.854 4.358 -3.646 123 2HB LYS 16 HB1 LYS 16 -34.701 3.497 -2.371 124 1HG LYS 16 HG2 LYS 16 -32.238 2.170 -2.585 125 2HG LYS 16 HG1 LYS 16 -31.845 3.877 -2.756 126 1HD LYS 16 HD2 LYS 16 -33.425 2.635 -0.496 127 2HD LYS 16 HD1 LYS 16 -31.754 3.182 -0.410 128 1HE LYS 16 HE2 LYS 16 -32.492 5.210 0.181 129 2HE LYS 16 HE1 LYS 16 -33.216 5.373 -1.416 130 1HZ LYS 16 HZ3 LYS 16 -34.582 4.019 0.843 131 2HZ LYS 16 HZ2 LYS 16 -34.750 5.692 0.518 132 3HZ LYS 16 HZ1 LYS 16 -35.267 4.537 -0.626 133 H LYS 17 HN LYS 17 -31.841 2.891 -4.246 134 HA LYS 17 HA LYS 17 -31.072 1.873 -6.753 135 1HB LYS 17 HB2 LYS 17 -32.499 4.357 -6.960 136 2HB LYS 17 HB1 LYS 17 -30.806 4.691 -7.292 137 1HG LYS 17 HG2 LYS 17 -30.817 2.785 -8.919 138 2HG LYS 17 HG1 LYS 17 -32.552 2.642 -8.655 139 1HD LYS 17 HD2 LYS 17 -31.581 5.353 -9.338 140 2HD LYS 17 HD1 LYS 17 -31.424 4.151 -10.616 141 1HE LYS 17 HE2 LYS 17 -34.011 4.570 -9.113 142 2HE LYS 17 HE1 LYS 17 -33.599 5.509 -10.542 143 1HZ LYS 17 HZ2 LYS 17 -33.666 2.544 -10.512 144 2HZ LYS 17 HZ1 LYS 17 -34.995 3.508 -10.950 145 3HZ LYS 17 HZ3 LYS 17 -33.555 3.564 -11.873 146 H ALA 18 HN ALA 18 -28.931 3.207 -7.424 147 HA ALA 18 HA ALA 18 -27.388 3.757 -4.945 148 1HB ALA 18 HB1 ALA 18 -26.552 2.327 -7.472 149 2HB ALA 18 HB3 ALA 18 -25.413 2.869 -6.246 150 3HB ALA 18 HB2 ALA 18 -26.636 1.664 -5.844 151 H SER 19 HN SER 19 -26.380 5.685 -4.858 152 HA SER 19 HA SER 19 -25.978 7.229 -7.359 153 1HB SER 19 HB2 SER 19 -26.749 8.659 -4.842 154 2HB SER 19 HB1 SER 19 -26.971 9.137 -6.523 155 HG SER 19 HG SER 19 -28.359 6.906 -6.162 156 H SER 20 HN SER 20 -25.053 6.818 -3.943 157 HA SER 20 HA SER 20 -22.846 8.601 -3.968 158 1HB SER 20 HB2 SER 20 -23.337 6.208 -2.180 159 2HB SER 20 HB1 SER 20 -22.226 7.541 -1.858 160 HG SER 20 HG SER 20 -24.462 8.739 -2.373 161 H ARG 21 HN ARG 21 -23.084 5.135 -4.686 162 HA ARG 21 HA ARG 21 -20.232 5.165 -5.510 163 1HB ARG 21 HB2 ARG 21 -20.742 3.638 -3.607 164 2HB ARG 21 HB1 ARG 21 -21.873 2.771 -4.635 165 1HG ARG 21 HG2 ARG 21 -19.842 1.521 -4.656 166 2HG ARG 21 HG1 ARG 21 -19.940 2.330 -6.214 167 1HD ARG 21 HD2 ARG 21 -17.693 2.588 -5.490 168 2HD ARG 21 HD1 ARG 21 -18.459 4.150 -5.222 169 HE ARG 21 HE ARG 21 -18.755 2.787 -2.825 170 1HH1 ARG 21 HH11 ARG 21 -17.018 5.319 -3.547 171 2HH1 ARG 21 HH12 ARG 21 -15.478 4.854 -2.866 172 1HH2 ARG 21 HH21 ARG 21 -16.388 1.470 -2.491 173 2HH2 ARG 21 HH22 ARG 21 -15.119 2.646 -2.255 174 H SER 22 HN SER 22 -20.879 6.047 -7.528 175 HA SER 22 HA SER 22 -21.913 4.023 -9.421 176 1HB SER 22 HB2 SER 22 -22.797 6.907 -9.165 177 2HB SER 22 HB1 SER 22 -23.099 5.928 -10.602 178 HG SER 22 HG SER 22 -23.878 5.130 -7.983 179 H TRP 23 HN TRP 23 -20.548 3.725 -11.008 180 HA TRP 23 HA TRP 23 -18.879 3.916 -12.497 181 1HB TRP 23 HB2 TRP 23 -19.616 6.831 -12.293 182 2HB TRP 23 HB1 TRP 23 -18.274 6.302 -13.294 183 HD1 TRP 23 HD1 TRP 23 -21.615 7.299 -13.898 184 HE1 TRP 23 HE1 TRP 23 -22.708 6.027 -15.829 185 HE3 TRP 23 HE3 TRP 23 -18.357 3.373 -14.321 186 HZ2 TRP 23 HZ2 TRP 23 -22.285 3.660 -17.328 187 HZ3 TRP 23 HZ3 TRP 23 -18.740 1.660 -15.990 188 HH2 TRP 23 HH2 TRP 23 -20.686 1.787 -17.506 189 H HIS 24 HN HIS 24 -17.782 3.039 -10.608 190 HA HIS 24 HA HIS 24 -15.525 4.746 -9.730 191 1HB HIS 24 HB2 HIS 24 -17.102 4.079 -7.908 192 2HB HIS 24 HB1 HIS 24 -16.791 2.388 -8.294 193 HD1 HIS 24 HD1 HIS 24 -15.015 5.430 -6.936 194 HD2 HIS 24 HD2 HIS 24 -14.544 1.324 -7.115 195 HE1 HIS 24 HE1 HIS 24 -13.065 4.934 -5.440 196 H ASN 25 HN ASN 25 -13.523 3.976 -10.210 197 HA ASN 25 HA ASN 25 -13.266 1.694 -11.950 198 1HB ASN 25 HB2 ASN 25 -10.974 2.268 -12.179 199 2HB ASN 25 HB1 ASN 25 -11.831 3.798 -12.072 200 1HD2 ASN 25 HD22 ASN 25 -10.521 4.565 -8.792 201 2HD2 ASN 25 HD21 ASN 25 -11.955 4.704 -9.767 202 H VAL 26 HN VAL 26 -13.239 -0.344 -11.292 203 HA VAL 26 HA VAL 26 -12.016 -1.014 -8.679 204 HB VAL 26 HB VAL 26 -14.593 -0.948 -8.799 205 1HG1 VAL 26 HG12 VAL 26 -14.589 -2.320 -10.969 206 2HG1 VAL 26 HG11 VAL 26 -14.314 -3.712 -9.923 207 3HG1 VAL 26 HG13 VAL 26 -15.768 -2.736 -9.725 208 1HG2 VAL 26 HG22 VAL 26 -13.052 -2.040 -7.057 209 2HG2 VAL 26 HG21 VAL 26 -14.754 -2.501 -7.098 210 3HG2 VAL 26 HG23 VAL 26 -13.535 -3.561 -7.811 211 H TYR 27 HN TYR 27 -11.085 -3.041 -8.527 212 HA TYR 27 HA TYR 27 -10.133 -4.140 -11.080 213 1HB TYR 27 HB2 TYR 27 -8.655 -3.412 -9.094 214 2HB TYR 27 HB1 TYR 27 -9.156 -4.912 -8.337 215 HD1 TYR 27 HD1 TYR 27 -7.347 -3.435 -11.201 216 HD2 TYR 27 HD2 TYR 27 -8.282 -7.002 -9.051 217 HE1 TYR 27 HE1 TYR 27 -5.607 -4.647 -12.450 218 HE2 TYR 27 HE2 TYR 27 -6.544 -8.212 -10.303 219 HH TYR 27 HH TYR 27 -4.477 -7.725 -11.535 220 H CYS 28 HN CYS 28 -11.335 -5.719 -11.893 221 HA CYS 28 HA CYS 28 -12.826 -7.549 -10.135 222 1HB CYS 28 HB2 CYS 28 -12.970 -7.256 -13.142 223 2HB CYS 28 HB1 CYS 28 -14.089 -8.135 -12.105 224 HG CYS 28 HG CYS 28 -13.846 -5.084 -11.652 225 H VAL 29 HN VAL 29 -12.383 -9.676 -9.977 226 HA VAL 29 HA VAL 29 -10.304 -10.882 -11.714 227 HB VAL 29 HB VAL 29 -10.572 -11.082 -8.706 228 1HG1 VAL 29 HG12 VAL 29 -9.103 -12.810 -10.659 229 2HG1 VAL 29 HG11 VAL 29 -8.433 -12.544 -9.050 230 3HG1 VAL 29 HG13 VAL 29 -10.033 -13.270 -9.236 231 1HG2 VAL 29 HG23 VAL 29 -9.364 -9.099 -9.549 232 2HG2 VAL 29 HG22 VAL 29 -8.314 -10.191 -8.651 233 3HG2 VAL 29 HG21 VAL 29 -8.255 -10.160 -10.415 234 H ILE 30 HN ILE 30 -11.166 -12.577 -12.765 235 HA ILE 30 HA ILE 30 -13.650 -13.814 -11.818 236 HB ILE 30 HB ILE 30 -12.051 -14.312 -14.340 237 1HG1 ILE 30 HG12 ILE 30 -14.475 -12.568 -13.849 238 2HG1 ILE 30 HG11 ILE 30 -12.854 -12.012 -14.243 239 1HG2 ILE 30 HG21 ILE 30 -14.783 -15.224 -13.440 240 2HG2 ILE 30 HG23 ILE 30 -14.286 -15.229 -15.134 241 3HG2 ILE 30 HG22 ILE 30 -13.420 -16.214 -13.959 242 1HD1 ILE 30 HD13 ILE 30 -13.571 -13.865 -16.255 243 2HD1 ILE 30 HD12 ILE 30 -14.960 -12.806 -16.017 244 3HD1 ILE 30 HD11 ILE 30 -13.382 -12.117 -16.407 245 H ASN 31 HN ASN 31 -13.598 -15.528 -10.531 246 HA ASN 31 HA ASN 31 -11.311 -17.418 -10.672 247 1HB ASN 31 HB2 ASN 31 -11.528 -15.941 -8.568 248 2HB ASN 31 HB1 ASN 31 -12.953 -16.903 -8.184 249 1HD2 ASN 31 HD22 ASN 31 -9.221 -18.640 -8.074 250 2HD2 ASN 31 HD21 ASN 31 -9.512 -17.200 -9.016 251 H ASN 32 HN ASN 32 -12.089 -19.064 -11.825 252 HA ASN 32 HA ASN 32 -13.261 -20.926 -12.396 253 1HB ASN 32 HB2 ASN 32 -13.157 -21.237 -9.834 254 2HB ASN 32 HB1 ASN 32 -14.835 -20.715 -9.818 255 1HD2 ASN 32 HD22 ASN 32 -13.817 -24.321 -11.498 256 2HD2 ASN 32 HD21 ASN 32 -12.638 -23.057 -11.317 257 H GLN 33 HN GLN 33 -16.156 -20.283 -10.697 258 HA GLN 33 HA GLN 33 -17.444 -19.214 -13.149 259 1HB GLN 33 HB2 GLN 33 -19.468 -20.388 -12.474 260 2HB GLN 33 HB1 GLN 33 -18.119 -21.514 -12.615 261 1HG GLN 33 HG2 GLN 33 -17.834 -21.087 -10.046 262 2HG GLN 33 HG1 GLN 33 -19.495 -20.503 -10.138 263 1HE2 GLN 33 HE22 GLN 33 -18.659 -24.476 -10.701 264 2HE2 GLN 33 HE21 GLN 33 -17.418 -23.267 -10.843 265 H GLU 34 HN GLU 34 -16.258 -18.042 -10.485 266 HA GLU 34 HA GLU 34 -18.451 -16.124 -10.011 267 1HB GLU 34 HB2 GLU 34 -16.597 -17.186 -7.855 268 2HB GLU 34 HB1 GLU 34 -17.970 -16.105 -7.632 269 1HG GLU 34 HG2 GLU 34 -19.363 -18.064 -8.654 270 2HG GLU 34 HG1 GLU 34 -17.957 -19.052 -8.262 271 H MET 35 HN MET 35 -17.348 -14.223 -8.643 272 HA MET 35 HA MET 35 -14.636 -13.670 -9.609 273 1HB MET 35 HB2 MET 35 -15.216 -11.502 -10.515 274 2HB MET 35 HB1 MET 35 -16.151 -12.745 -11.331 275 1HG MET 35 HG2 MET 35 -18.114 -12.194 -10.022 276 2HG MET 35 HG1 MET 35 -17.200 -11.036 -9.066 277 1HE MET 35 HE2 MET 35 -19.462 -9.517 -9.788 278 2HE MET 35 HE1 MET 35 -19.771 -9.048 -11.460 279 3HE MET 35 HE3 MET 35 -19.997 -10.728 -10.952 280 H GLY 36 HN GLY 36 -13.676 -11.808 -8.571 281 1HA GLY 36 HA2 GLY 36 -14.841 -11.146 -5.931 282 2HA GLY 36 HA1 GLY 36 -13.155 -11.619 -6.103 283 H PHE 37 HN PHE 37 -14.889 -9.036 -5.523 284 HA PHE 37 HA PHE 37 -13.722 -7.158 -7.445 285 1HB PHE 37 HB2 PHE 37 -15.710 -6.869 -5.189 286 2HB PHE 37 HB1 PHE 37 -15.044 -5.481 -6.044 287 HD1 PHE 37 HD1 PHE 37 -15.240 -5.509 -8.635 288 HD2 PHE 37 HD2 PHE 37 -17.625 -7.920 -6.032 289 HE1 PHE 37 HE1 PHE 37 -16.921 -5.775 -10.414 290 HE2 PHE 37 HE2 PHE 37 -19.307 -8.175 -7.819 291 HZ PHE 37 HZ PHE 37 -18.953 -7.099 -10.005 292 H TYR 38 HN TYR 38 -11.783 -6.375 -7.115 293 HA TYR 38 HA TYR 38 -10.774 -5.992 -4.352 294 1HB TYR 38 HB2 TYR 38 -9.314 -6.777 -6.882 295 2HB TYR 38 HB1 TYR 38 -8.511 -6.319 -5.390 296 HD1 TYR 38 HD1 TYR 38 -8.928 -7.669 -3.315 297 HD2 TYR 38 HD2 TYR 38 -10.106 -8.975 -7.197 298 HE1 TYR 38 HE1 TYR 38 -9.091 -9.979 -2.480 299 HE2 TYR 38 HE2 TYR 38 -10.268 -11.291 -6.368 300 HH TYR 38 HH TYR 38 -10.717 -12.326 -3.845 301 H LYS 39 HN LYS 39 -8.784 -4.387 -4.505 302 HA LYS 39 HA LYS 39 -9.853 -1.873 -5.536 303 1HB LYS 39 HB2 LYS 39 -8.762 -2.278 -3.220 304 2HB LYS 39 HB1 LYS 39 -7.233 -2.205 -4.091 305 1HG LYS 39 HG2 LYS 39 -7.788 0.029 -4.926 306 2HG LYS 39 HG1 LYS 39 -9.348 -0.046 -4.115 307 1HD LYS 39 HD2 LYS 39 -8.289 -0.083 -1.941 308 2HD LYS 39 HD1 LYS 39 -6.693 -0.230 -2.675 309 1HE LYS 39 HE2 LYS 39 -8.529 2.126 -3.150 310 2HE LYS 39 HE1 LYS 39 -7.328 2.081 -1.862 311 1HZ LYS 39 HZ1 LYS 39 -6.162 1.333 -4.341 312 2HZ LYS 39 HZ3 LYS 39 -6.921 2.849 -4.477 313 3HZ LYS 39 HZ2 LYS 39 -5.731 2.592 -3.279 314 H ASP 40 HN ASP 40 -6.932 -3.851 -5.904 315 HA ASP 40 HA ASP 40 -6.590 -3.104 -8.654 316 1HB ASP 40 HB2 ASP 40 -4.597 -1.873 -8.577 317 2HB ASP 40 HB1 ASP 40 -5.576 -1.157 -7.308 318 H ALA 41 HN ALA 41 -4.027 -3.880 -9.126 319 HA ALA 41 HA ALA 41 -4.162 -6.704 -9.011 320 1HB ALA 41 HB2 ALA 41 -2.939 -5.375 -10.738 321 2HB ALA 41 HB1 ALA 41 -1.703 -5.020 -9.529 322 3HB ALA 41 HB3 ALA 41 -1.982 -6.685 -10.043 323 H LYS 42 HN LYS 42 -2.416 -4.358 -6.982 324 HA LYS 42 HA LYS 42 -0.916 -6.331 -5.523 325 1HB LYS 42 HB2 LYS 42 -1.514 -3.414 -5.107 326 2HB LYS 42 HB1 LYS 42 -0.740 -4.353 -3.838 327 1HG LYS 42 HG2 LYS 42 1.239 -4.240 -4.865 328 2HG LYS 42 HG1 LYS 42 0.559 -4.884 -6.355 329 1HD LYS 42 HD2 LYS 42 0.007 -2.024 -5.697 330 2HD LYS 42 HD1 LYS 42 1.631 -2.447 -6.227 331 1HE LYS 42 HE2 LYS 42 -0.609 -3.553 -7.839 332 2HE LYS 42 HE1 LYS 42 -0.362 -1.815 -7.929 333 1HZ LYS 42 HZ1 LYS 42 1.845 -3.744 -8.307 334 2HZ LYS 42 HZ3 LYS 42 0.863 -3.227 -9.594 335 3HZ LYS 42 HZ2 LYS 42 1.804 -2.088 -8.731 336 H SER 43 HN SER 43 -3.969 -4.610 -4.939 337 HA SER 43 HA SER 43 -4.490 -5.631 -2.351 338 1HB SER 43 HB2 SER 43 -6.690 -4.781 -2.619 339 2HB SER 43 HB1 SER 43 -5.635 -3.684 -3.503 340 HG SER 43 HG SER 43 -6.249 -5.355 -5.316 341 H ALA 44 HN ALA 44 -5.154 -6.893 -5.573 342 HA ALA 44 HA ALA 44 -6.778 -9.096 -4.795 343 1HB ALA 44 HB1 ALA 44 -5.193 -8.570 -7.321 344 2HB ALA 44 HB3 ALA 44 -6.341 -9.895 -7.113 345 3HB ALA 44 HB2 ALA 44 -6.905 -8.224 -7.058 346 H ALA 45 HN ALA 45 -3.349 -8.735 -5.642 347 HA ALA 45 HA ALA 45 -2.606 -11.459 -5.307 348 1HB ALA 45 HB2 ALA 45 -1.348 -9.609 -6.542 349 2HB ALA 45 HB1 ALA 45 -0.750 -9.107 -4.962 350 3HB ALA 45 HB3 ALA 45 -0.386 -10.724 -5.574 351 H SER 46 HN SER 46 -2.544 -8.671 -3.109 352 HA SER 46 HA SER 46 -1.242 -10.041 -0.955 353 1HB SER 46 HB2 SER 46 -1.372 -7.503 -1.371 354 2HB SER 46 HB1 SER 46 -2.978 -7.588 -0.654 355 HG SER 46 HG SER 46 -2.122 -7.905 1.276 356 H GLY 47 HN GLY 47 -4.621 -9.352 -1.772 357 1HA GLY 47 HA2 GLY 47 -6.415 -10.831 -1.262 358 2HA GLY 47 HA1 GLY 47 -5.515 -11.430 0.128 359 H ILE 48 HN ILE 48 -6.409 -8.151 -0.962 360 HA ILE 48 HA ILE 48 -7.492 -7.567 1.729 361 HB ILE 48 HB ILE 48 -6.689 -5.674 -0.496 362 1HG1 ILE 48 HG12 ILE 48 -5.257 -6.239 2.110 363 2HG1 ILE 48 HG11 ILE 48 -4.795 -6.943 0.565 364 1HG2 ILE 48 HG23 ILE 48 -7.469 -5.124 2.372 365 2HG2 ILE 48 HG22 ILE 48 -6.856 -3.927 1.233 366 3HG2 ILE 48 HG21 ILE 48 -8.410 -4.708 0.938 367 1HD1 ILE 48 HD13 ILE 48 -5.085 -4.047 0.410 368 2HD1 ILE 48 HD12 ILE 48 -3.875 -4.548 1.595 369 3HD1 ILE 48 HD11 ILE 48 -3.738 -5.075 -0.083 370 HA PRO 49 HA PRO 49 -11.489 -7.888 -0.318 371 1HB PRO 49 HB2 PRO 49 -13.038 -7.259 1.824 372 2HB PRO 49 HB1 PRO 49 -12.295 -8.845 1.574 373 1HG PRO 49 HG2 PRO 49 -11.452 -6.614 3.358 374 2HG PRO 49 HG1 PRO 49 -11.388 -8.362 3.632 375 1HD PRO 49 HD2 PRO 49 -9.224 -6.824 2.913 376 2HD PRO 49 HD1 PRO 49 -9.355 -8.567 2.601 377 H TYR 50 HN TYR 50 -12.802 -6.493 -1.368 378 HA TYR 50 HA TYR 50 -12.896 -3.648 -0.574 379 1HB TYR 50 HB2 TYR 50 -11.272 -4.340 -2.534 380 2HB TYR 50 HB1 TYR 50 -12.759 -4.418 -3.467 381 HD1 TYR 50 HD1 TYR 50 -10.764 -2.166 -1.263 382 HD2 TYR 50 HD2 TYR 50 -13.685 -2.454 -4.370 383 HE1 TYR 50 HE1 TYR 50 -10.676 0.277 -1.579 384 HE2 TYR 50 HE2 TYR 50 -13.595 -0.010 -4.672 385 HH TYR 50 HH TYR 50 -12.639 2.064 -2.636 386 H HIS 51 HN HIS 51 -14.777 -2.561 -1.139 387 HA HIS 51 HA HIS 51 -16.968 -2.226 -1.598 388 1HB HIS 51 HB2 HIS 51 -16.231 -4.217 -3.551 389 2HB HIS 51 HB1 HIS 51 -17.862 -4.543 -2.987 390 HD1 HIS 51 HD1 HIS 51 -19.680 -3.025 -3.858 391 HD2 HIS 51 HD2 HIS 51 -15.883 -1.582 -4.686 392 HE1 HIS 51 HE1 HIS 51 -20.042 -1.062 -5.379 393 H SER 52 HN SER 52 -19.203 -3.257 -1.310 394 HA SER 52 HA SER 52 -19.365 -4.270 1.351 395 1HB SER 52 HB2 SER 52 -21.704 -4.363 -0.525 396 2HB SER 52 HB1 SER 52 -21.647 -3.912 1.177 397 HG SER 52 HG SER 52 -21.743 -2.251 -0.801 398 H GLU 53 HN GLU 53 -20.067 -5.664 -1.839 399 HA GLU 53 HA GLU 53 -20.045 -8.388 -0.663 400 1HB GLU 53 HB2 GLU 53 -21.406 -7.321 -3.148 401 2HB GLU 53 HB1 GLU 53 -21.325 -9.028 -2.720 402 1HG GLU 53 HG2 GLU 53 -22.759 -8.785 -0.908 403 2HG GLU 53 HG1 GLU 53 -22.404 -7.071 -0.721 404 H VAL 54 HN VAL 54 -17.849 -8.787 -0.798 405 HA VAL 54 HA VAL 54 -16.261 -8.086 -3.076 406 HB VAL 54 HB VAL 54 -15.389 -10.219 -1.162 407 1HG1 VAL 54 HG13 VAL 54 -14.050 -9.238 -3.156 408 2HG1 VAL 54 HG12 VAL 54 -13.805 -7.860 -2.080 409 3HG1 VAL 54 HG11 VAL 54 -13.252 -9.465 -1.598 410 1HG2 VAL 54 HG21 VAL 54 -15.979 -7.377 -0.472 411 2HG2 VAL 54 HG23 VAL 54 -16.142 -8.834 0.509 412 3HG2 VAL 54 HG22 VAL 54 -14.549 -8.139 0.217 413 HA PRO 55 HA PRO 55 -16.700 -12.618 -4.427 414 1HB PRO 55 HB2 PRO 55 -18.127 -14.390 -2.939 415 2HB PRO 55 HB1 PRO 55 -16.431 -14.006 -2.630 416 1HG PRO 55 HG2 PRO 55 -18.806 -13.299 -1.080 417 2HG PRO 55 HG1 PRO 55 -17.106 -13.282 -0.595 418 1HD PRO 55 HD2 PRO 55 -18.776 -11.068 -1.417 419 2HD PRO 55 HD1 PRO 55 -17.121 -11.037 -0.792 420 H VAL 56 HN VAL 56 -17.981 -12.697 -6.201 421 HA VAL 56 HA VAL 56 -20.921 -12.734 -5.883 422 HB VAL 56 HB VAL 56 -19.371 -10.985 -7.805 423 1HG1 VAL 56 HG11 VAL 56 -22.313 -11.606 -7.608 424 2HG1 VAL 56 HG13 VAL 56 -21.715 -10.130 -8.367 425 3HG1 VAL 56 HG12 VAL 56 -21.258 -11.701 -9.021 426 1HG2 VAL 56 HG21 VAL 56 -20.923 -10.434 -5.297 427 2HG2 VAL 56 HG23 VAL 56 -19.350 -9.809 -5.802 428 3HG2 VAL 56 HG22 VAL 56 -20.827 -9.207 -6.559 429 H SER 57 HN SER 57 -21.944 -14.154 -7.203 430 HA SER 57 HA SER 57 -20.368 -16.059 -8.689 431 1HB SER 57 HB2 SER 57 -23.335 -15.810 -8.301 432 2HB SER 57 HB1 SER 57 -22.488 -17.213 -8.904 433 HG SER 57 HG SER 57 -21.271 -16.906 -6.737 434 H LEU 58 HN LEU 58 -20.173 -16.228 -10.852 435 HA LEU 58 HA LEU 58 -21.610 -14.300 -12.589 436 1HB LEU 58 HB2 LEU 58 -18.880 -15.562 -12.749 437 2HB LEU 58 HB1 LEU 58 -19.682 -14.994 -14.209 438 HG LEU 58 HG LEU 58 -18.998 -13.342 -11.775 439 1HD1 LEU 58 HD23 LEU 58 -17.077 -13.880 -13.173 440 2HD1 LEU 58 HD22 LEU 58 -17.928 -13.285 -14.599 441 3HD1 LEU 58 HD21 LEU 58 -17.482 -12.169 -13.306 442 1HD2 LEU 58 HD11 LEU 58 -20.747 -12.795 -14.126 443 2HD2 LEU 58 HD13 LEU 58 -20.858 -12.214 -12.465 444 3HD2 LEU 58 HD12 LEU 58 -19.687 -11.496 -13.569 445 H LYS 59 HN LYS 59 -21.657 -17.461 -11.627 446 HA LYS 59 HA LYS 59 -21.860 -19.019 -13.925 447 1HB LYS 59 HB2 LYS 59 -21.896 -19.620 -11.361 448 2HB LYS 59 HB1 LYS 59 -23.644 -19.553 -11.567 449 1HG LYS 59 HG2 LYS 59 -23.099 -21.091 -13.669 450 2HG LYS 59 HG1 LYS 59 -21.662 -21.462 -12.721 451 1HD LYS 59 HD2 LYS 59 -23.076 -22.129 -10.827 452 2HD LYS 59 HD1 LYS 59 -24.517 -21.728 -11.755 453 1HE LYS 59 HE2 LYS 59 -24.177 -24.122 -11.827 454 2HE LYS 59 HE1 LYS 59 -23.880 -23.452 -13.428 455 1HZ LYS 59 HZ2 LYS 59 -21.758 -24.093 -11.451 456 2HZ LYS 59 HZ1 LYS 59 -22.220 -25.105 -12.736 457 3HZ LYS 59 HZ3 LYS 59 -21.526 -23.583 -13.065 458 H GLU 60 HN GLU 60 -23.082 -18.568 -15.625 459 HA GLU 60 HA GLU 60 -24.880 -18.181 -16.971 460 1HB GLU 60 HB2 GLU 60 -26.551 -18.729 -14.506 461 2HB GLU 60 HB1 GLU 60 -27.137 -18.663 -16.165 462 1HG GLU 60 HG2 GLU 60 -25.654 -20.558 -16.752 463 2HG GLU 60 HG1 GLU 60 -25.116 -20.642 -15.075 464 H ALA 61 HN ALA 61 -23.724 -15.987 -16.562 465 HA ALA 61 HA ALA 61 -25.596 -13.988 -15.437 466 1HB ALA 61 HB1 ALA 61 -22.662 -13.802 -16.176 467 2HB ALA 61 HB3 ALA 61 -23.638 -12.444 -15.605 468 3HB ALA 61 HB2 ALA 61 -23.345 -13.831 -14.550 469 H ILE 62 HN ILE 62 -26.595 -12.542 -16.732 470 HA ILE 62 HA ILE 62 -26.307 -12.838 -19.635 471 HB ILE 62 HB ILE 62 -28.255 -11.041 -18.192 472 1HG1 ILE 62 HG12 ILE 62 -28.522 -13.990 -18.820 473 2HG1 ILE 62 HG11 ILE 62 -28.609 -13.222 -17.236 474 1HG2 ILE 62 HG22 ILE 62 -27.657 -11.380 -20.885 475 2HG2 ILE 62 HG21 ILE 62 -29.108 -12.359 -20.649 476 3HG2 ILE 62 HG23 ILE 62 -29.121 -10.648 -20.224 477 1HD1 ILE 62 HD13 ILE 62 -30.653 -12.037 -17.915 478 2HD1 ILE 62 HD12 ILE 62 -30.574 -12.805 -19.504 479 3HD1 ILE 62 HD11 ILE 62 -30.852 -13.783 -18.061 480 H CYS 63 HN CYS 63 -25.214 -11.461 -20.834 481 HA CYS 63 HA CYS 63 -24.457 -8.812 -19.753 482 1HB CYS 63 HB2 CYS 63 -22.691 -10.773 -19.836 483 2HB CYS 63 HB1 CYS 63 -22.615 -10.361 -21.542 484 HG CYS 63 HG CYS 63 -22.233 -7.812 -20.210 485 H GLU 64 HN GLU 64 -25.226 -7.236 -20.988 486 HA GLU 64 HA GLU 64 -25.741 -7.729 -23.872 487 1HB GLU 64 HB2 GLU 64 -27.057 -5.656 -22.097 488 2HB GLU 64 HB1 GLU 64 -27.519 -6.121 -23.735 489 1HG GLU 64 HG2 GLU 64 -27.818 -8.502 -22.731 490 2HG GLU 64 HG1 GLU 64 -27.835 -7.679 -21.173 491 H VAL 65 HN VAL 65 -25.086 -6.163 -25.363 492 HA VAL 65 HA VAL 65 -22.826 -4.516 -24.503 493 HB VAL 65 HB VAL 65 -23.983 -4.799 -27.282 494 1HG1 VAL 65 HG13 VAL 65 -21.546 -3.583 -26.113 495 2HG1 VAL 65 HG12 VAL 65 -21.316 -4.513 -27.594 496 3HG1 VAL 65 HG11 VAL 65 -22.440 -3.155 -27.574 497 1HG2 VAL 65 HG23 VAL 65 -22.234 -6.631 -25.700 498 2HG2 VAL 65 HG22 VAL 65 -23.526 -7.011 -26.837 499 3HG2 VAL 65 HG21 VAL 65 -21.959 -6.465 -27.434 500 H ALA 66 HN ALA 66 -22.820 -2.364 -24.291 501 HA ALA 66 HA ALA 66 -25.128 -0.756 -25.216 502 1HB ALA 66 HB3 ALA 66 -25.320 -1.197 -22.773 503 2HB ALA 66 HB2 ALA 66 -23.736 -0.459 -22.532 504 3HB ALA 66 HB1 ALA 66 -25.082 0.510 -23.137 505 H LEU 67 HN LEU 67 -23.686 -0.333 -27.018 506 HA LEU 67 HA LEU 67 -21.248 1.208 -26.483 507 1HB LEU 67 HB2 LEU 67 -21.962 -0.583 -28.468 508 2HB LEU 67 HB1 LEU 67 -22.090 0.969 -29.281 509 HG LEU 67 HG LEU 67 -19.746 1.364 -28.070 510 1HD1 LEU 67 HD13 LEU 67 -19.750 -0.794 -26.918 511 2HD1 LEU 67 HD12 LEU 67 -19.855 -1.628 -28.469 512 3HD1 LEU 67 HD11 LEU 67 -18.411 -0.696 -28.062 513 1HD2 LEU 67 HD22 LEU 67 -20.193 -0.174 -30.629 514 2HD2 LEU 67 HD21 LEU 67 -20.028 1.572 -30.445 515 3HD2 LEU 67 HD23 LEU 67 -18.643 0.524 -30.149 516 H ASP 68 HN ASP 68 -24.335 2.052 -26.332 517 HA ASP 68 HA ASP 68 -23.838 4.800 -27.252 518 1HB ASP 68 HB2 ASP 68 -25.064 3.334 -29.030 519 2HB ASP 68 HB1 ASP 68 -26.454 3.472 -27.960 520 H TYR 69 HN TYR 69 -23.830 3.838 -24.631 521 HA TYR 69 HA TYR 69 -26.429 4.460 -23.420 522 1HB TYR 69 HB2 TYR 69 -25.134 2.591 -22.504 523 2HB TYR 69 HB1 TYR 69 -23.782 3.664 -22.174 524 HD1 TYR 69 HD1 TYR 69 -27.456 3.511 -21.471 525 HD2 TYR 69 HD2 TYR 69 -23.547 4.363 -19.976 526 HE1 TYR 69 HE1 TYR 69 -28.410 4.021 -19.261 527 HE2 TYR 69 HE2 TYR 69 -24.506 4.870 -17.761 528 HH TYR 69 HH TYR 69 -27.870 4.240 -17.025 529 H LYS 70 HN LYS 70 -26.712 6.651 -23.809 530 HA LYS 70 HA LYS 70 -26.657 8.873 -23.302 531 1HB LYS 70 HB2 LYS 70 -24.354 8.323 -21.415 532 2HB LYS 70 HB1 LYS 70 -25.391 9.743 -21.456 533 1HG LYS 70 HG2 LYS 70 -27.338 8.059 -21.066 534 2HG LYS 70 HG1 LYS 70 -26.068 6.951 -20.552 535 1HD LYS 70 HD2 LYS 70 -25.431 8.347 -18.747 536 2HD LYS 70 HD1 LYS 70 -26.307 9.729 -19.398 537 1HE LYS 70 HE2 LYS 70 -27.603 7.185 -18.375 538 2HE LYS 70 HE1 LYS 70 -27.440 8.672 -17.446 539 1HZ LYS 70 HZ1 LYS 70 -28.635 9.667 -19.555 540 2HZ LYS 70 HZ3 LYS 70 -29.194 8.064 -19.707 541 3HZ LYS 70 HZ2 LYS 70 -29.516 8.938 -18.282 542 H LYS 71 HN LYS 71 -23.526 7.350 -23.832 543 HA LYS 71 HA LYS 71 -22.887 9.267 -25.934 544 1HB LYS 71 HB2 LYS 71 -20.474 9.348 -24.857 545 2HB LYS 71 HB1 LYS 71 -21.722 10.471 -24.335 546 1HG LYS 71 HG2 LYS 71 -22.179 9.167 -22.358 547 2HG LYS 71 HG1 LYS 71 -21.137 7.861 -22.917 548 1HD LYS 71 HD2 LYS 71 -19.176 9.108 -22.553 549 2HD LYS 71 HD1 LYS 71 -20.051 10.634 -22.484 550 1HE LYS 71 HE2 LYS 71 -20.658 8.524 -20.443 551 2HE LYS 71 HE1 LYS 71 -19.171 9.451 -20.283 552 1HZ LYS 71 HZ1 LYS 71 -21.868 10.678 -20.556 553 2HZ LYS 71 HZ3 LYS 71 -21.093 10.401 -19.070 554 3HZ LYS 71 HZ2 LYS 71 -20.400 11.472 -20.201 555 H LYS 72 HN LYS 72 -20.772 8.521 -27.029 556 HA LYS 72 HA LYS 72 -21.039 5.680 -27.580 557 1HB LYS 72 HB2 LYS 72 -19.127 7.722 -28.735 558 2HB LYS 72 HB1 LYS 72 -19.390 6.090 -29.341 559 1HG LYS 72 HG2 LYS 72 -21.932 6.951 -29.379 560 2HG LYS 72 HG1 LYS 72 -21.127 8.505 -29.561 561 1HD LYS 72 HD2 LYS 72 -21.320 7.886 -31.777 562 2HD LYS 72 HD1 LYS 72 -19.741 7.207 -31.401 563 1HE LYS 72 HE2 LYS 72 -20.830 5.452 -32.497 564 2HE LYS 72 HE1 LYS 72 -21.041 5.052 -30.796 565 1HZ LYS 72 HZ3 LYS 72 -23.204 6.601 -31.349 566 2HZ LYS 72 HZ2 LYS 72 -23.000 5.698 -32.786 567 3HZ LYS 72 HZ1 LYS 72 -23.181 4.893 -31.294 568 H LYS 73 HN LYS 73 -20.369 4.780 -25.599 569 HA LYS 73 HA LYS 73 -17.470 4.590 -25.270 570 1HB LYS 73 HB2 LYS 73 -19.477 4.956 -23.021 571 2HB LYS 73 HB1 LYS 73 -17.778 4.554 -22.804 572 1HG LYS 73 HG2 LYS 73 -18.803 7.087 -24.107 573 2HG LYS 73 HG1 LYS 73 -18.235 6.959 -22.446 574 1HD LYS 73 HD2 LYS 73 -16.011 6.342 -23.211 575 2HD LYS 73 HD1 LYS 73 -16.557 6.341 -24.882 576 1HE LYS 73 HE2 LYS 73 -15.600 8.423 -24.784 577 2HE LYS 73 HE1 LYS 73 -17.251 8.828 -24.330 578 1HZ LYS 73 HZ3 LYS 73 -16.108 8.222 -21.953 579 2HZ LYS 73 HZ2 LYS 73 -14.817 8.964 -22.785 580 3HZ LYS 73 HZ1 LYS 73 -16.296 9.796 -22.583 581 H HIS 74 HN HIS 74 -16.807 2.615 -24.653 582 HA HIS 74 HA HIS 74 -18.418 0.372 -25.398 583 1HB HIS 74 HB2 HIS 74 -15.705 0.424 -24.043 584 2HB HIS 74 HB1 HIS 74 -16.440 -0.972 -24.815 585 HD1 HIS 74 HD1 HIS 74 -15.057 2.421 -25.656 586 HD2 HIS 74 HD2 HIS 74 -15.939 -1.149 -27.555 587 HE1 HIS 74 HE1 HIS 74 -14.110 2.666 -27.960 588 H VAL 75 HN VAL 75 -20.193 0.639 -23.864 589 HA VAL 75 HA VAL 75 -19.584 -0.256 -21.106 590 HB VAL 75 HB VAL 75 -22.105 1.066 -22.112 591 1HG1 VAL 75 HG11 VAL 75 -21.114 0.237 -19.426 592 2HG1 VAL 75 HG13 VAL 75 -22.141 1.661 -19.554 593 3HG1 VAL 75 HG12 VAL 75 -22.725 0.097 -20.124 594 1HG2 VAL 75 HG22 VAL 75 -19.540 2.274 -21.607 595 2HG2 VAL 75 HG21 VAL 75 -21.016 3.000 -22.236 596 3HG2 VAL 75 HG23 VAL 75 -20.757 2.897 -20.495 597 H PHE 76 HN PHE 76 -21.038 -1.846 -20.176 598 HA PHE 76 HA PHE 76 -22.795 -3.266 -22.012 599 1HB PHE 76 HB2 PHE 76 -21.867 -5.477 -21.505 600 2HB PHE 76 HB1 PHE 76 -20.751 -4.466 -22.397 601 HD1 PHE 76 HD1 PHE 76 -18.676 -3.693 -21.394 602 HD2 PHE 76 HD2 PHE 76 -21.397 -6.163 -19.223 603 HE1 PHE 76 HE1 PHE 76 -16.891 -4.244 -19.782 604 HE2 PHE 76 HE2 PHE 76 -19.621 -6.709 -17.604 605 HZ PHE 76 HZ PHE 76 -17.361 -5.747 -17.885 606 H LYS 77 HN LYS 77 -24.478 -4.172 -21.097 607 HA LYS 77 HA LYS 77 -25.058 -3.488 -18.320 608 1HB LYS 77 HB2 LYS 77 -26.549 -3.313 -20.541 609 2HB LYS 77 HB1 LYS 77 -27.015 -4.936 -20.056 610 1HG LYS 77 HG2 LYS 77 -27.065 -2.672 -18.083 611 2HG LYS 77 HG1 LYS 77 -28.384 -2.889 -19.218 612 1HD LYS 77 HD2 LYS 77 -27.417 -4.949 -17.227 613 2HD LYS 77 HD1 LYS 77 -28.854 -3.953 -17.052 614 1HE LYS 77 HE2 LYS 77 -28.350 -6.224 -18.959 615 2HE LYS 77 HE1 LYS 77 -29.693 -5.992 -17.849 616 1HZ LYS 77 HZ1 LYS 77 -29.209 -4.347 -20.282 617 2HZ LYS 77 HZ3 LYS 77 -30.301 -5.646 -20.183 618 3HZ LYS 77 HZ2 LYS 77 -30.551 -4.251 -19.230 619 H LEU 78 HN LEU 78 -24.143 -4.902 -16.932 620 HA LEU 78 HA LEU 78 -24.205 -7.780 -17.495 621 1HB LEU 78 HB2 LEU 78 -22.092 -6.715 -16.782 622 2HB LEU 78 HB1 LEU 78 -22.850 -6.231 -15.274 623 HG LEU 78 HG LEU 78 -23.034 -8.440 -14.530 624 1HD1 LEU 78 HD12 LEU 78 -22.499 -9.255 -17.370 625 2HD1 LEU 78 HD11 LEU 78 -22.316 -10.382 -16.027 626 3HD1 LEU 78 HD13 LEU 78 -23.886 -9.651 -16.351 627 1HD2 LEU 78 HD21 LEU 78 -20.465 -7.586 -15.586 628 2HD2 LEU 78 HD23 LEU 78 -20.877 -8.243 -14.005 629 3HD2 LEU 78 HD22 LEU 78 -20.576 -9.331 -15.359 630 H ARG 79 HN ARG 79 -26.037 -8.729 -16.941 631 HA ARG 79 HA ARG 79 -27.372 -8.053 -14.379 632 1HB ARG 79 HB2 ARG 79 -28.674 -7.798 -16.566 633 2HB ARG 79 HB1 ARG 79 -28.596 -9.548 -16.708 634 1HG ARG 79 HG2 ARG 79 -29.460 -8.942 -14.060 635 2HG ARG 79 HG1 ARG 79 -30.404 -7.945 -15.159 636 1HD ARG 79 HD2 ARG 79 -30.128 -10.742 -16.053 637 2HD ARG 79 HD1 ARG 79 -30.944 -10.577 -14.501 638 HE ARG 79 HE ARG 79 -32.044 -9.922 -17.057 639 1HH1 ARG 79 HH21 ARG 79 -32.709 -7.374 -16.739 640 2HH1 ARG 79 HH22 ARG 79 -33.874 -7.212 -15.446 641 1HH2 ARG 79 HH11 ARG 79 -33.275 -10.424 -14.141 642 2HH2 ARG 79 HH12 ARG 79 -34.224 -8.969 -13.986 643 H LEU 80 HN LEU 80 -26.385 -9.360 -12.974 644 HA LEU 80 HA LEU 80 -25.404 -11.974 -13.537 645 1HB LEU 80 HB2 LEU 80 -25.984 -10.706 -10.850 646 2HB LEU 80 HB1 LEU 80 -24.924 -12.077 -11.160 647 HG LEU 80 HG LEU 80 -24.525 -9.227 -12.050 648 1HD1 LEU 80 HD13 LEU 80 -23.929 -9.751 -9.719 649 2HD1 LEU 80 HD12 LEU 80 -22.854 -11.021 -10.295 650 3HD1 LEU 80 HD11 LEU 80 -22.519 -9.333 -10.690 651 1HD2 LEU 80 HD23 LEU 80 -23.100 -11.746 -12.884 652 2HD2 LEU 80 HD22 LEU 80 -23.766 -10.465 -13.899 653 3HD2 LEU 80 HD21 LEU 80 -22.318 -10.168 -12.940 654 H SER 81 HN SER 81 -26.044 -13.920 -12.351 655 HA SER 81 HA SER 81 -28.687 -14.710 -12.857 656 1HB SER 81 HB2 SER 81 -27.730 -16.561 -11.043 657 2HB SER 81 HB1 SER 81 -27.487 -16.599 -12.786 658 HG SER 81 HG SER 81 -25.439 -16.523 -12.280 659 H ASP 82 HN ASP 82 -27.178 -13.401 -9.974 660 HA ASP 82 HA ASP 82 -29.143 -14.096 -8.047 661 1HB ASP 82 HB2 ASP 82 -26.758 -13.098 -7.725 662 2HB ASP 82 HB1 ASP 82 -27.543 -11.536 -7.935 663 H GLY 83 HN GLY 83 -28.835 -11.395 -10.292 664 1HA GLY 83 HA2 GLY 83 -31.075 -10.611 -11.173 665 2HA GLY 83 HA1 GLY 83 -31.487 -10.335 -9.483 666 H ASN 84 HN ASN 84 -28.473 -9.598 -9.202 667 HA ASN 84 HA ASN 84 -28.713 -6.811 -9.086 668 1HB ASN 84 HB2 ASN 84 -26.186 -8.473 -9.326 669 2HB ASN 84 HB1 ASN 84 -26.264 -6.794 -8.802 670 1HD2 ASN 84 HD22 ASN 84 -26.370 -7.989 -5.517 671 2HD2 ASN 84 HD21 ASN 84 -25.548 -7.044 -6.723 672 H GLU 85 HN GLU 85 -28.372 -5.192 -10.492 673 HA GLU 85 HA GLU 85 -27.401 -5.829 -13.226 674 1HB GLU 85 HB2 GLU 85 -29.689 -4.179 -12.226 675 2HB GLU 85 HB1 GLU 85 -28.863 -3.666 -13.700 676 1HG GLU 85 HG2 GLU 85 -29.230 -5.970 -14.624 677 2HG GLU 85 HG1 GLU 85 -30.190 -6.337 -13.191 678 H TYR 86 HN TYR 86 -25.468 -4.981 -13.568 679 HA TYR 86 HA TYR 86 -24.787 -2.305 -12.460 680 1HB TYR 86 HB2 TYR 86 -22.824 -4.563 -12.917 681 2HB TYR 86 HB1 TYR 86 -22.505 -3.013 -12.162 682 HD1 TYR 86 HD1 TYR 86 -23.946 -2.531 -9.989 683 HD2 TYR 86 HD2 TYR 86 -23.117 -6.404 -11.577 684 HE1 TYR 86 HE1 TYR 86 -24.319 -3.517 -7.770 685 HE2 TYR 86 HE2 TYR 86 -23.494 -7.392 -9.347 686 HH TYR 86 HH TYR 86 -23.810 -5.445 -6.499 687 H LEU 87 HN LEU 87 -23.623 -0.959 -13.853 688 HA LEU 87 HA LEU 87 -23.464 -1.809 -16.692 689 1HB LEU 87 HB2 LEU 87 -23.258 1.017 -15.610 690 2HB LEU 87 HB1 LEU 87 -23.401 0.529 -17.291 691 HG LEU 87 HG LEU 87 -25.496 0.344 -15.139 692 1HD1 LEU 87 HD12 LEU 87 -25.054 2.517 -16.398 693 2HD1 LEU 87 HD11 LEU 87 -25.666 1.683 -17.829 694 3HD1 LEU 87 HD13 LEU 87 -26.713 1.913 -16.426 695 1HD2 LEU 87 HD23 LEU 87 -25.451 -0.871 -17.899 696 2HD2 LEU 87 HD22 LEU 87 -25.748 -1.684 -16.361 697 3HD2 LEU 87 HD21 LEU 87 -26.948 -0.566 -17.014 698 H PHE 88 HN PHE 88 -21.503 -2.375 -17.358 699 HA PHE 88 HA PHE 88 -19.128 -1.428 -15.876 700 1HB PHE 88 HB2 PHE 88 -19.735 -3.908 -17.425 701 2HB PHE 88 HB1 PHE 88 -18.076 -3.429 -17.110 702 HD1 PHE 88 HD1 PHE 88 -17.267 -3.251 -14.741 703 HD2 PHE 88 HD2 PHE 88 -21.059 -4.930 -15.755 704 HE1 PHE 88 HE1 PHE 88 -17.404 -4.288 -12.516 705 HE2 PHE 88 HE2 PHE 88 -21.202 -5.969 -13.530 706 HZ PHE 88 HZ PHE 88 -19.290 -5.742 -11.940 707 H GLN 89 HN GLN 89 -17.671 -0.174 -16.892 708 HA GLN 89 HA GLN 89 -17.918 0.187 -19.829 709 1HB GLN 89 HB2 GLN 89 -18.207 2.153 -18.035 710 2HB GLN 89 HB1 GLN 89 -16.461 2.187 -18.173 711 1HG GLN 89 HG2 GLN 89 -17.380 2.052 -20.826 712 2HG GLN 89 HG1 GLN 89 -18.471 3.175 -20.013 713 1HE2 GLN 89 HE22 GLN 89 -14.583 4.172 -20.665 714 2HE2 GLN 89 HE21 GLN 89 -15.193 2.589 -21.010 715 H ALA 90 HN ALA 90 -16.283 -0.369 -21.071 716 HA ALA 90 HA ALA 90 -13.676 -1.105 -19.870 717 1HB ALA 90 HB2 ALA 90 -15.143 -1.997 -22.346 718 2HB ALA 90 HB1 ALA 90 -13.397 -2.207 -22.206 719 3HB ALA 90 HB3 ALA 90 -14.473 -2.977 -21.036 720 H LYS 91 HN LYS 91 -11.733 -0.551 -21.179 721 HA LYS 91 HA LYS 91 -11.964 2.205 -22.155 722 1HB LYS 91 HB2 LYS 91 -9.635 2.385 -21.874 723 2HB LYS 91 HB1 LYS 91 -10.210 1.464 -20.492 724 1HG LYS 91 HG2 LYS 91 -9.580 -0.631 -21.825 725 2HG LYS 91 HG1 LYS 91 -8.724 0.454 -22.913 726 1HD LYS 91 HD2 LYS 91 -8.239 0.168 -19.947 727 2HD LYS 91 HD1 LYS 91 -7.212 -0.472 -21.224 728 1HE LYS 91 HE2 LYS 91 -6.993 1.942 -22.053 729 2HE LYS 91 HE1 LYS 91 -7.704 2.419 -20.513 730 1HZ LYS 91 HZ2 LYS 91 -5.892 1.107 -19.428 731 2HZ LYS 91 HZ1 LYS 91 -5.154 0.996 -20.963 732 3HZ LYS 91 HZ3 LYS 91 -5.393 2.523 -20.243 733 H ASP 92 HN ASP 92 -11.240 -0.988 -23.404 734 HA ASP 92 HA ASP 92 -11.109 0.118 -26.156 735 1HB ASP 92 HB2 ASP 92 -8.854 -0.628 -25.228 736 2HB ASP 92 HB1 ASP 92 -9.498 -2.266 -25.200 737 H ASP 93 HN ASP 93 -11.924 -1.265 -27.810 738 HA ASP 93 HA ASP 93 -14.253 -2.725 -27.096 739 1HB ASP 93 HB2 ASP 93 -14.526 -3.242 -29.423 740 2HB ASP 93 HB1 ASP 93 -13.959 -1.584 -29.296 741 H GLU 94 HN GLU 94 -10.955 -3.737 -27.804 742 HA GLU 94 HA GLU 94 -11.427 -6.543 -27.962 743 1HB GLU 94 HB2 GLU 94 -9.314 -5.129 -28.575 744 2HB GLU 94 HB1 GLU 94 -8.869 -5.362 -26.891 745 1HG GLU 94 HG2 GLU 94 -9.655 -7.717 -28.596 746 2HG GLU 94 HG1 GLU 94 -8.028 -7.050 -28.710 747 H GLU 95 HN GLU 95 -10.751 -4.314 -25.318 748 HA GLU 95 HA GLU 95 -10.508 -6.206 -23.199 749 1HB GLU 95 HB2 GLU 95 -10.000 -3.580 -23.375 750 2HB GLU 95 HB1 GLU 95 -11.610 -3.482 -22.675 751 1HG GLU 95 HG2 GLU 95 -10.844 -5.039 -20.871 752 2HG GLU 95 HG1 GLU 95 -9.213 -4.926 -21.536 753 H MET 96 HN MET 96 -13.192 -4.196 -24.381 754 HA MET 96 HA MET 96 -15.221 -4.970 -22.615 755 1HB MET 96 HB2 MET 96 -15.300 -3.120 -24.343 756 2HB MET 96 HB1 MET 96 -15.599 -4.357 -25.557 757 1HG MET 96 HG2 MET 96 -17.589 -5.073 -24.125 758 2HG MET 96 HG1 MET 96 -17.345 -3.586 -23.223 759 1HE MET 96 HE3 MET 96 -18.454 -5.318 -26.400 760 2HE MET 96 HE2 MET 96 -18.920 -4.032 -27.511 761 3HE MET 96 HE1 MET 96 -17.213 -4.375 -27.235 762 H ASN 97 HN ASN 97 -14.236 -6.411 -25.712 763 HA ASN 97 HA ASN 97 -16.161 -8.480 -25.826 764 1HB ASN 97 HB2 ASN 97 -14.810 -7.784 -27.758 765 2HB ASN 97 HB1 ASN 97 -13.354 -8.388 -26.973 766 1HD2 ASN 97 HD22 ASN 97 -13.804 -11.613 -28.197 767 2HD2 ASN 97 HD21 ASN 97 -12.758 -10.387 -27.551 768 H THR 98 HN THR 98 -12.781 -8.513 -24.674 769 HA THR 98 HA THR 98 -12.597 -11.164 -23.838 770 HB THR 98 HB THR 98 -11.303 -8.790 -22.479 771 HG1 THR 98 HG1 THR 98 -10.862 -8.654 -24.672 772 1HG2 THR 98 HG22 THR 98 -11.041 -10.963 -21.313 773 2HG2 THR 98 HG21 THR 98 -10.345 -11.643 -22.785 774 3HG2 THR 98 HG23 THR 98 -9.514 -10.340 -21.933 775 H TRP 99 HN TRP 99 -13.786 -8.344 -22.005 776 HA TRP 99 HA TRP 99 -14.250 -9.763 -19.572 777 1HB TRP 99 HB2 TRP 99 -15.130 -7.098 -20.664 778 2HB TRP 99 HB1 TRP 99 -15.807 -7.708 -19.159 779 HD1 TRP 99 HD1 TRP 99 -13.062 -5.558 -20.282 780 HE1 TRP 99 HE1 TRP 99 -11.244 -5.382 -18.487 781 HE3 TRP 99 HE3 TRP 99 -14.423 -9.447 -17.225 782 HZ2 TRP 99 HZ2 TRP 99 -10.467 -6.660 -16.139 783 HZ3 TRP 99 HZ3 TRP 99 -13.083 -9.907 -15.212 784 HH2 TRP 99 HH2 TRP 99 -11.124 -8.530 -14.672 785 H ILE 100 HN ILE 100 -16.504 -8.662 -22.129 786 HA ILE 100 HA ILE 100 -18.862 -9.765 -21.075 787 HB ILE 100 HB ILE 100 -18.015 -9.129 -23.901 788 1HG1 ILE 100 HG12 ILE 100 -19.947 -7.769 -22.012 789 2HG1 ILE 100 HG11 ILE 100 -18.295 -7.250 -22.310 790 1HG2 ILE 100 HG23 ILE 100 -20.595 -10.304 -22.915 791 2HG2 ILE 100 HG22 ILE 100 -20.598 -9.194 -24.282 792 3HG2 ILE 100 HG21 ILE 100 -19.671 -10.694 -24.369 793 1HD1 ILE 100 HD12 ILE 100 -18.985 -7.126 -24.786 794 2HD1 ILE 100 HD11 ILE 100 -20.645 -7.224 -24.191 795 3HD1 ILE 100 HD13 ILE 100 -19.613 -5.882 -23.702 796 H GLN 101 HN GLN 101 -16.472 -11.221 -23.282 797 HA GLN 101 HA GLN 101 -17.904 -13.675 -23.656 798 1HB GLN 101 HB2 GLN 101 -14.997 -12.965 -24.104 799 2HB GLN 101 HB1 GLN 101 -15.728 -14.497 -24.573 800 1HG GLN 101 HG2 GLN 101 -17.439 -12.505 -25.598 801 2HG GLN 101 HG1 GLN 101 -15.811 -11.929 -25.926 802 1HE2 GLN 101 HE22 GLN 101 -15.865 -13.838 -28.843 803 2HE2 GLN 101 HE21 GLN 101 -15.773 -12.268 -28.102 804 H ALA 102 HN ALA 102 -15.218 -12.716 -21.493 805 HA ALA 102 HA ALA 102 -14.748 -15.262 -20.334 806 1HB ALA 102 HB2 ALA 102 -13.167 -13.404 -20.115 807 2HB ALA 102 HB1 ALA 102 -14.336 -12.509 -19.137 808 3HB ALA 102 HB3 ALA 102 -13.637 -14.011 -18.529 809 H ILE 103 HN ILE 103 -16.944 -12.639 -19.457 810 HA ILE 103 HA ILE 103 -17.910 -13.764 -17.021 811 HB ILE 103 HB ILE 103 -18.939 -11.658 -18.917 812 1HG1 ILE 103 HG12 ILE 103 -18.165 -11.265 -16.043 813 2HG1 ILE 103 HG11 ILE 103 -16.919 -11.400 -17.279 814 1HG2 ILE 103 HG21 ILE 103 -20.296 -12.795 -16.497 815 2HG2 ILE 103 HG23 ILE 103 -20.504 -11.099 -16.929 816 3HG2 ILE 103 HG22 ILE 103 -20.979 -12.362 -18.065 817 1HD1 ILE 103 HD11 ILE 103 -18.279 -9.584 -18.539 818 2HD1 ILE 103 HD13 ILE 103 -19.034 -9.292 -16.972 819 3HD1 ILE 103 HD12 ILE 103 -17.291 -9.097 -17.163 820 H SER 104 HN SER 104 -19.089 -13.841 -20.381 821 HA SER 104 HA SER 104 -21.471 -15.319 -19.877 822 1HB SER 104 HB2 SER 104 -19.853 -15.030 -22.420 823 2HB SER 104 HB1 SER 104 -21.492 -15.674 -22.322 824 HG SER 104 HG SER 104 -20.573 -13.029 -21.984 825 H SER 105 HN SER 105 -18.148 -16.280 -20.212 826 HA SER 105 HA SER 105 -18.698 -19.059 -20.841 827 1HB SER 105 HB2 SER 105 -16.124 -17.717 -19.982 828 2HB SER 105 HB1 SER 105 -16.273 -19.361 -20.605 829 HG SER 105 HG SER 105 -17.236 -17.147 -22.101 830 H ALA 106 HN ALA 106 -19.116 -17.337 -18.047 831 HA ALA 106 HA ALA 106 -18.025 -19.236 -16.143 832 1HB ALA 106 HB1 ALA 106 -19.860 -16.862 -15.781 833 2HB ALA 106 HB3 ALA 106 -19.154 -17.805 -14.469 834 3HB ALA 106 HB2 ALA 106 -18.112 -16.880 -15.553 No H/Q in entry = 834 Start of MODEL 6 1 1H MET 1 HT1 MET 1 -6.985 -13.615 -14.927 2 2H MET 1 HT3 MET 1 -8.167 -14.798 -15.237 3 3H MET 1 HT2 MET 1 -6.943 -14.489 -16.392 4 HA MET 1 HA MET 1 -7.872 -12.567 -17.104 5 1HB MET 1 HB2 MET 1 -9.432 -14.598 -17.385 6 2HB MET 1 HB1 MET 1 -10.407 -13.879 -16.109 7 1HG MET 1 HG2 MET 1 -11.418 -12.985 -17.979 8 2HG MET 1 HG1 MET 1 -10.249 -11.725 -17.612 9 1HE MET 1 HE2 MET 1 -11.116 -14.812 -19.404 10 2HE MET 1 HE1 MET 1 -10.762 -14.421 -21.084 11 3HE MET 1 HE3 MET 1 -9.557 -15.256 -20.096 12 H GLU 2 HN GLU 2 -7.087 -10.996 -15.679 13 HA GLU 2 HA GLU 2 -9.122 -9.861 -13.847 14 1HB GLU 2 HB2 GLU 2 -6.151 -9.857 -13.250 15 2HB GLU 2 HB1 GLU 2 -7.459 -9.309 -12.211 16 1HG GLU 2 HG2 GLU 2 -7.258 -11.352 -11.253 17 2HG GLU 2 HG1 GLU 2 -8.218 -11.893 -12.626 18 H GLY 3 HN GLY 3 -8.763 -7.525 -13.444 19 1HA GLY 3 HA2 GLY 3 -6.972 -5.838 -14.674 20 2HA GLY 3 HA1 GLY 3 -8.214 -6.123 -15.893 21 H PHE 4 HN PHE 4 -8.083 -3.649 -15.324 22 HA PHE 4 HA PHE 4 -9.807 -2.917 -13.071 23 1HB PHE 4 HB2 PHE 4 -8.086 -1.418 -14.996 24 2HB PHE 4 HB1 PHE 4 -9.415 -0.575 -14.219 25 HD1 PHE 4 HD1 PHE 4 -9.557 -0.774 -11.619 26 HD2 PHE 4 HD2 PHE 4 -6.046 -1.568 -13.919 27 HE1 PHE 4 HE1 PHE 4 -8.164 -0.441 -9.613 28 HE2 PHE 4 HE2 PHE 4 -4.656 -1.226 -11.920 29 HZ PHE 4 HZ PHE 4 -5.773 -0.639 -9.725 30 H LEU 5 HN LEU 5 -11.782 -1.982 -13.292 31 HA LEU 5 HA LEU 5 -13.037 -1.616 -15.912 32 1HB LEU 5 HB2 LEU 5 -13.710 -3.800 -13.976 33 2HB LEU 5 HB1 LEU 5 -15.042 -2.991 -14.791 34 HG LEU 5 HG LEU 5 -12.712 -4.315 -16.187 35 1HD1 LEU 5 HD11 LEU 5 -15.354 -5.327 -15.275 36 2HD1 LEU 5 HD13 LEU 5 -14.805 -5.832 -16.872 37 3HD1 LEU 5 HD12 LEU 5 -13.817 -6.168 -15.454 38 1HD2 LEU 5 HD22 LEU 5 -15.166 -2.877 -17.145 39 2HD2 LEU 5 HD21 LEU 5 -13.496 -2.743 -17.702 40 3HD2 LEU 5 HD23 LEU 5 -14.451 -4.162 -18.119 41 H ASN 6 HN ASN 6 -14.694 -0.126 -15.824 42 HA ASN 6 HA ASN 6 -15.057 1.324 -13.302 43 1HB ASN 6 HB2 ASN 6 -15.033 2.122 -16.001 44 2HB ASN 6 HB1 ASN 6 -16.708 2.271 -15.493 45 1HD2 ASN 6 HD22 ASN 6 -14.097 5.044 -14.350 46 2HD2 ASN 6 HD21 ASN 6 -13.811 3.869 -15.598 47 H ARG 7 HN ARG 7 -16.794 1.034 -12.014 48 HA ARG 7 HA ARG 7 -18.948 -0.752 -13.011 49 1HB ARG 7 HB2 ARG 7 -17.383 -1.796 -11.398 50 2HB ARG 7 HB1 ARG 7 -17.809 -0.562 -10.216 51 1HG ARG 7 HG2 ARG 7 -20.126 -1.356 -10.195 52 2HG ARG 7 HG1 ARG 7 -19.757 -2.537 -11.447 53 1HD ARG 7 HD2 ARG 7 -19.818 -3.515 -9.147 54 2HD ARG 7 HD1 ARG 7 -18.263 -3.729 -9.956 55 HE ARG 7 HE ARG 7 -17.885 -1.424 -8.574 56 1HH1 ARG 7 HH11 ARG 7 -18.065 -4.783 -7.855 57 2HH1 ARG 7 HH12 ARG 7 -17.966 -4.571 -6.130 58 1HH2 ARG 7 HH21 ARG 7 -18.255 -1.082 -6.246 59 2HH2 ARG 7 HH22 ARG 7 -18.091 -2.479 -5.223 60 H LYS 8 HN LYS 8 -21.014 -0.317 -12.555 61 HA LYS 8 HA LYS 8 -21.825 1.756 -10.671 62 1HB LYS 8 HB2 LYS 8 -21.357 2.983 -12.791 63 2HB LYS 8 HB1 LYS 8 -22.526 1.961 -13.615 64 1HG LYS 8 HG2 LYS 8 -24.012 2.900 -11.504 65 2HG LYS 8 HG1 LYS 8 -22.956 4.263 -11.822 66 1HD LYS 8 HD2 LYS 8 -24.383 4.840 -13.465 67 2HD LYS 8 HD1 LYS 8 -23.776 3.456 -14.356 68 1HE LYS 8 HE2 LYS 8 -26.095 3.134 -14.369 69 2HE LYS 8 HE1 LYS 8 -25.539 2.077 -13.078 70 1HZ LYS 8 HZ2 LYS 8 -26.137 4.706 -12.124 71 2HZ LYS 8 HZ1 LYS 8 -27.484 3.986 -12.899 72 3HZ LYS 8 HZ3 LYS 8 -26.727 3.195 -11.597 73 H HIS 9 HN HIS 9 -23.952 1.391 -9.951 74 HA HIS 9 HA HIS 9 -25.234 -1.065 -11.009 75 1HB HIS 9 HB2 HIS 9 -26.128 -1.520 -8.894 76 2HB HIS 9 HB1 HIS 9 -24.483 -1.003 -8.581 77 HD1 HIS 9 HD1 HIS 9 -26.939 -0.923 -6.558 78 HD2 HIS 9 HD2 HIS 9 -25.338 2.325 -8.571 79 HE1 HIS 9 HE1 HIS 9 -27.573 1.070 -5.189 80 H GLU 10 HN GLU 10 -27.342 -1.052 -11.664 81 HA GLU 10 HA GLU 10 -28.744 1.568 -11.733 82 1HB GLU 10 HB2 GLU 10 -27.714 0.709 -13.926 83 2HB GLU 10 HB1 GLU 10 -28.957 -0.537 -13.885 84 1HG GLU 10 HG2 GLU 10 -30.160 0.985 -15.064 85 2HG GLU 10 HG1 GLU 10 -30.494 1.667 -13.476 86 H TRP 11 HN TRP 11 -29.111 -1.957 -11.655 87 HA TRP 11 HA TRP 11 -31.804 -1.633 -10.466 88 1HB TRP 11 HB2 TRP 11 -31.760 -2.293 -12.946 89 2HB TRP 11 HB1 TRP 11 -31.057 -3.814 -12.423 90 HD1 TRP 11 HD1 TRP 11 -34.373 -1.873 -12.402 91 HE1 TRP 11 HE1 TRP 11 -36.240 -3.506 -11.805 92 HE3 TRP 11 HE3 TRP 11 -31.592 -5.981 -11.126 93 HZ2 TRP 11 HZ2 TRP 11 -36.545 -6.151 -10.909 94 HZ3 TRP 11 HZ3 TRP 11 -32.741 -8.033 -10.400 95 HH2 TRP 11 HH2 TRP 11 -35.193 -8.121 -10.294 96 H GLU 12 HN GLU 12 -32.116 -2.870 -8.649 97 HA GLU 12 HA GLU 12 -30.727 -5.324 -8.153 98 1HB GLU 12 HB2 GLU 12 -29.506 -4.482 -6.102 99 2HB GLU 12 HB1 GLU 12 -28.818 -4.011 -7.652 100 1HG GLU 12 HG2 GLU 12 -29.500 -1.785 -7.435 101 2HG GLU 12 HG1 GLU 12 -30.747 -2.176 -6.247 102 H ALA 13 HN ALA 13 -33.445 -4.300 -8.102 103 HA ALA 13 HA ALA 13 -34.317 -5.507 -5.641 104 1HB ALA 13 HB1 ALA 13 -33.775 -3.088 -4.987 105 2HB ALA 13 HB3 ALA 13 -35.118 -2.613 -6.028 106 3HB ALA 13 HB2 ALA 13 -35.405 -3.645 -4.626 107 H HIS 14 HN HIS 14 -36.844 -5.249 -5.534 108 HA HIS 14 HA HIS 14 -37.893 -6.241 -8.004 109 1HB HIS 14 HB2 HIS 14 -39.149 -5.456 -5.372 110 2HB HIS 14 HB1 HIS 14 -40.125 -5.975 -6.740 111 HD1 HIS 14 HD1 HIS 14 -38.937 -8.385 -7.795 112 HD2 HIS 14 HD2 HIS 14 -38.700 -7.598 -3.742 113 HE1 HIS 14 HE1 HIS 14 -38.534 -10.614 -6.726 114 H ASN 15 HN ASN 15 -37.519 -4.678 -9.538 115 HA ASN 15 HA ASN 15 -38.189 -3.054 -10.989 116 1HB ASN 15 HB2 ASN 15 -40.526 -3.442 -9.707 117 2HB ASN 15 HB1 ASN 15 -40.194 -1.799 -9.164 118 1HD2 ASN 15 HD22 ASN 15 -41.716 -2.353 -12.790 119 2HD2 ASN 15 HD21 ASN 15 -41.691 -3.544 -11.522 120 H LYS 16 HN LYS 16 -38.718 -0.398 -10.649 121 HA LYS 16 HA LYS 16 -37.795 1.636 -10.147 122 1HB LYS 16 HB2 LYS 16 -36.633 0.341 -7.670 123 2HB LYS 16 HB1 LYS 16 -36.900 2.055 -7.947 124 1HG LYS 16 HG2 LYS 16 -39.289 1.764 -7.926 125 2HG LYS 16 HG1 LYS 16 -39.129 0.014 -7.839 126 1HD LYS 16 HD2 LYS 16 -38.191 1.964 -5.723 127 2HD LYS 16 HD1 LYS 16 -39.661 1.004 -5.640 128 1HE LYS 16 HE2 LYS 16 -38.365 -0.459 -4.502 129 2HE LYS 16 HE1 LYS 16 -37.820 -0.948 -6.102 130 1HZ LYS 16 HZ3 LYS 16 -36.418 1.305 -4.913 131 2HZ LYS 16 HZ2 LYS 16 -36.183 -0.202 -4.150 132 3HZ LYS 16 HZ1 LYS 16 -35.805 -0.012 -5.801 133 H LYS 17 HN LYS 17 -35.544 2.694 -9.570 134 HA LYS 17 HA LYS 17 -33.333 1.044 -10.629 135 1HB LYS 17 HB2 LYS 17 -32.581 2.800 -12.085 136 2HB LYS 17 HB1 LYS 17 -34.255 2.439 -12.471 137 1HG LYS 17 HG2 LYS 17 -34.593 4.654 -12.354 138 2HG LYS 17 HG1 LYS 17 -34.523 4.448 -10.611 139 1HD LYS 17 HD2 LYS 17 -33.011 6.210 -11.110 140 2HD LYS 17 HD1 LYS 17 -32.004 4.800 -10.801 141 1HE LYS 17 HE2 LYS 17 -31.023 5.585 -12.732 142 2HE LYS 17 HE1 LYS 17 -32.199 4.469 -13.413 143 1HZ LYS 17 HZ1 LYS 17 -33.340 7.043 -13.035 144 2HZ LYS 17 HZ3 LYS 17 -31.926 7.143 -13.977 145 3HZ LYS 17 HZ2 LYS 17 -33.204 6.114 -14.458 146 H ALA 18 HN ALA 18 -31.393 1.391 -9.707 147 HA ALA 18 HA ALA 18 -31.331 3.127 -7.321 148 1HB ALA 18 HB2 ALA 18 -30.843 0.709 -7.070 149 2HB ALA 18 HB1 ALA 18 -29.457 0.897 -8.148 150 3HB ALA 18 HB3 ALA 18 -29.490 1.730 -6.592 151 H SER 19 HN SER 19 -29.530 4.449 -6.882 152 HA SER 19 HA SER 19 -27.527 4.965 -8.944 153 1HB SER 19 HB2 SER 19 -29.372 7.212 -8.082 154 2HB SER 19 HB1 SER 19 -28.083 7.285 -9.284 155 HG SER 19 HG SER 19 -29.701 5.318 -10.015 156 H SER 20 HN SER 20 -27.297 3.938 -6.350 157 HA SER 20 HA SER 20 -26.350 6.106 -4.606 158 1HB SER 20 HB2 SER 20 -26.471 3.104 -4.192 159 2HB SER 20 HB1 SER 20 -25.968 4.281 -2.982 160 HG SER 20 HG SER 20 -28.020 5.119 -2.919 161 H ARG 21 HN ARG 21 -25.091 3.112 -6.070 162 HA ARG 21 HA ARG 21 -22.332 3.875 -5.536 163 1HB ARG 21 HB2 ARG 21 -23.725 1.427 -5.949 164 2HB ARG 21 HB1 ARG 21 -22.561 1.574 -7.262 165 1HG ARG 21 HG2 ARG 21 -20.733 1.739 -5.771 166 2HG ARG 21 HG1 ARG 21 -21.787 2.038 -4.392 167 1HD ARG 21 HD2 ARG 21 -22.053 -0.531 -5.916 168 2HD ARG 21 HD1 ARG 21 -20.738 -0.347 -4.755 169 HE ARG 21 HE ARG 21 -23.462 0.289 -3.820 170 1HH1 ARG 21 HH21 ARG 21 -20.871 -0.467 -2.184 171 2HH1 ARG 21 HH22 ARG 21 -21.344 -2.035 -1.579 172 1HH2 ARG 21 HH11 ARG 21 -23.980 -2.430 -3.877 173 2HH2 ARG 21 HH12 ARG 21 -23.126 -3.147 -2.528 174 H SER 22 HN SER 22 -21.969 5.676 -6.773 175 HA SER 22 HA SER 22 -22.686 5.962 -9.521 176 1HB SER 22 HB2 SER 22 -20.442 7.505 -8.254 177 2HB SER 22 HB1 SER 22 -21.670 8.046 -9.394 178 HG SER 22 HG SER 22 -21.753 8.475 -6.871 179 H TRP 23 HN TRP 23 -20.892 6.548 -11.152 180 HA TRP 23 HA TRP 23 -19.481 4.260 -11.913 181 1HB TRP 23 HB2 TRP 23 -19.402 7.150 -12.705 182 2HB TRP 23 HB1 TRP 23 -18.150 6.080 -13.316 183 HD1 TRP 23 HD1 TRP 23 -21.536 7.269 -14.199 184 HE1 TRP 23 HE1 TRP 23 -22.551 5.778 -16.008 185 HE3 TRP 23 HE3 TRP 23 -18.299 3.318 -13.986 186 HZ2 TRP 23 HZ2 TRP 23 -22.054 3.264 -17.213 187 HZ3 TRP 23 HZ3 TRP 23 -18.614 1.410 -15.495 188 HH2 TRP 23 HH2 TRP 23 -20.466 1.377 -17.098 189 H HIS 24 HN HIS 24 -17.922 3.321 -10.719 190 HA HIS 24 HA HIS 24 -15.613 4.963 -9.845 191 1HB HIS 24 HB2 HIS 24 -15.353 3.438 -7.879 192 2HB HIS 24 HB1 HIS 24 -16.778 4.466 -7.807 193 HD1 HIS 24 HD1 HIS 24 -19.068 3.182 -8.519 194 HD2 HIS 24 HD2 HIS 24 -15.868 0.779 -7.478 195 HE1 HIS 24 HE1 HIS 24 -20.076 0.953 -8.010 196 H ASN 25 HN ASN 25 -13.637 4.149 -10.252 197 HA ASN 25 HA ASN 25 -13.400 1.893 -12.075 198 1HB ASN 25 HB2 ASN 25 -12.083 4.060 -12.253 199 2HB ASN 25 HB1 ASN 25 -11.185 3.549 -10.829 200 1HD2 ASN 25 HD22 ASN 25 -9.026 2.441 -13.484 201 2HD2 ASN 25 HD21 ASN 25 -9.460 3.853 -12.573 202 H VAL 26 HN VAL 26 -13.385 -0.117 -11.284 203 HA VAL 26 HA VAL 26 -11.994 -0.669 -8.723 204 HB VAL 26 HB VAL 26 -14.607 -0.723 -8.853 205 1HG1 VAL 26 HG13 VAL 26 -14.473 -2.280 -10.907 206 2HG1 VAL 26 HG12 VAL 26 -14.165 -3.555 -9.729 207 3HG1 VAL 26 HG11 VAL 26 -15.663 -2.626 -9.655 208 1HG2 VAL 26 HG23 VAL 26 -13.018 -1.558 -7.022 209 2HG2 VAL 26 HG22 VAL 26 -14.675 -2.163 -7.043 210 3HG2 VAL 26 HG21 VAL 26 -13.361 -3.168 -7.661 211 H TYR 27 HN TYR 27 -11.199 -2.869 -8.514 212 HA TYR 27 HA TYR 27 -10.138 -3.900 -11.067 213 1HB TYR 27 HB2 TYR 27 -8.697 -3.289 -9.013 214 2HB TYR 27 HB1 TYR 27 -9.311 -4.769 -8.303 215 HD1 TYR 27 HD1 TYR 27 -7.190 -3.342 -10.915 216 HD2 TYR 27 HD2 TYR 27 -8.642 -6.946 -9.148 217 HE1 TYR 27 HE1 TYR 27 -5.435 -4.610 -12.073 218 HE2 TYR 27 HE2 TYR 27 -6.889 -8.219 -10.317 219 HH TYR 27 HH TYR 27 -5.191 -7.136 -12.878 220 H CYS 28 HN CYS 28 -11.017 -5.678 -11.929 221 HA CYS 28 HA CYS 28 -12.760 -7.391 -10.247 222 1HB CYS 28 HB2 CYS 28 -12.813 -6.879 -13.226 223 2HB CYS 28 HB1 CYS 28 -13.889 -7.971 -12.361 224 HG CYS 28 HG CYS 28 -13.931 -5.014 -11.468 225 H VAL 29 HN VAL 29 -12.524 -9.537 -10.234 226 HA VAL 29 HA VAL 29 -10.386 -10.819 -11.836 227 HB VAL 29 HB VAL 29 -10.971 -11.271 -8.895 228 1HG1 VAL 29 HG13 VAL 29 -9.500 -12.830 -10.877 229 2HG1 VAL 29 HG12 VAL 29 -8.541 -12.435 -9.451 230 3HG1 VAL 29 HG11 VAL 29 -10.078 -13.288 -9.277 231 1HG2 VAL 29 HG22 VAL 29 -8.670 -9.872 -10.254 232 2HG2 VAL 29 HG21 VAL 29 -9.819 -9.187 -9.106 233 3HG2 VAL 29 HG23 VAL 29 -8.649 -10.394 -8.568 234 H ILE 30 HN ILE 30 -11.286 -12.426 -13.022 235 HA ILE 30 HA ILE 30 -13.931 -13.468 -12.292 236 HB ILE 30 HB ILE 30 -12.306 -14.194 -14.732 237 1HG1 ILE 30 HG12 ILE 30 -14.138 -11.828 -14.311 238 2HG1 ILE 30 HG11 ILE 30 -12.437 -11.789 -14.762 239 1HG2 ILE 30 HG22 ILE 30 -15.254 -14.277 -14.072 240 2HG2 ILE 30 HG21 ILE 30 -14.598 -14.549 -15.686 241 3HG2 ILE 30 HG23 ILE 30 -14.184 -15.647 -14.371 242 1HD1 ILE 30 HD13 ILE 30 -13.448 -13.331 -16.759 243 2HD1 ILE 30 HD12 ILE 30 -14.824 -12.277 -16.427 244 3HD1 ILE 30 HD11 ILE 30 -13.260 -11.581 -16.860 245 H ASN 31 HN ASN 31 -14.378 -15.520 -11.747 246 HA ASN 31 HA ASN 31 -12.229 -17.541 -11.603 247 1HB ASN 31 HB2 ASN 31 -12.815 -16.195 -9.364 248 2HB ASN 31 HB1 ASN 31 -14.166 -17.325 -9.314 249 1HD2 ASN 31 HD22 ASN 31 -12.196 -19.987 -8.174 250 2HD2 ASN 31 HD21 ASN 31 -13.774 -19.311 -8.455 251 H ASN 32 HN ASN 32 -13.389 -19.718 -10.869 252 HA ASN 32 HA ASN 32 -15.167 -20.475 -12.913 253 1HB ASN 32 HB2 ASN 32 -13.716 -22.056 -11.713 254 2HB ASN 32 HB1 ASN 32 -14.663 -21.831 -10.245 255 1HD2 ASN 32 HD22 ASN 32 -16.249 -23.957 -13.397 256 2HD2 ASN 32 HD21 ASN 32 -14.992 -22.781 -13.662 257 H GLN 33 HN GLN 33 -17.079 -19.450 -13.128 258 HA GLN 33 HA GLN 33 -19.221 -18.742 -12.764 259 1HB GLN 33 HB2 GLN 33 -19.262 -20.899 -10.637 260 2HB GLN 33 HB1 GLN 33 -20.664 -20.151 -11.398 261 1HG GLN 33 HG2 GLN 33 -19.294 -20.999 -13.598 262 2HG GLN 33 HG1 GLN 33 -18.836 -22.239 -12.433 263 1HE2 GLN 33 HE22 GLN 33 -22.063 -23.659 -12.194 264 2HE2 GLN 33 HE21 GLN 33 -20.515 -23.491 -11.438 265 H GLU 34 HN GLU 34 -17.011 -17.518 -11.169 266 HA GLU 34 HA GLU 34 -18.663 -15.959 -9.335 267 1HB GLU 34 HB2 GLU 34 -16.347 -17.667 -8.400 268 2HB GLU 34 HB1 GLU 34 -16.900 -16.258 -7.502 269 1HG GLU 34 HG2 GLU 34 -19.236 -17.381 -7.607 270 2HG GLU 34 HG1 GLU 34 -18.344 -18.843 -8.018 271 H MET 35 HN MET 35 -17.253 -14.200 -8.322 272 HA MET 35 HA MET 35 -14.820 -13.478 -9.697 273 1HB MET 35 HB2 MET 35 -15.634 -11.382 -10.641 274 2HB MET 35 HB1 MET 35 -16.504 -12.735 -11.343 275 1HG MET 35 HG2 MET 35 -18.372 -12.330 -9.810 276 2HG MET 35 HG1 MET 35 -17.523 -10.954 -9.127 277 1HE MET 35 HE3 MET 35 -16.649 -9.031 -10.499 278 2HE MET 35 HE2 MET 35 -16.380 -9.511 -12.174 279 3HE MET 35 HE1 MET 35 -17.583 -8.281 -11.801 280 H GLY 36 HN GLY 36 -13.830 -11.599 -8.746 281 1HA GLY 36 HA2 GLY 36 -14.943 -10.813 -6.108 282 2HA GLY 36 HA1 GLY 36 -13.255 -11.277 -6.302 283 H PHE 37 HN PHE 37 -14.713 -8.711 -5.550 284 HA PHE 37 HA PHE 37 -13.606 -6.860 -7.576 285 1HB PHE 37 HB2 PHE 37 -15.611 -6.431 -5.350 286 2HB PHE 37 HB1 PHE 37 -15.005 -5.160 -6.409 287 HD1 PHE 37 HD1 PHE 37 -15.289 -5.607 -8.995 288 HD2 PHE 37 HD2 PHE 37 -17.540 -7.543 -5.919 289 HE1 PHE 37 HE1 PHE 37 -17.056 -6.159 -10.629 290 HE2 PHE 37 HE2 PHE 37 -19.302 -8.079 -7.550 291 HZ PHE 37 HZ PHE 37 -19.024 -7.350 -9.957 292 H TYR 38 HN TYR 38 -11.812 -5.752 -7.123 293 HA TYR 38 HA TYR 38 -10.976 -5.384 -4.302 294 1HB TYR 38 HB2 TYR 38 -9.221 -6.239 -6.610 295 2HB TYR 38 HB1 TYR 38 -8.647 -5.822 -5.001 296 HD1 TYR 38 HD1 TYR 38 -9.201 -7.260 -3.066 297 HD2 TYR 38 HD2 TYR 38 -10.194 -8.368 -7.062 298 HE1 TYR 38 HE1 TYR 38 -9.537 -9.591 -2.338 299 HE2 TYR 38 HE2 TYR 38 -10.527 -10.697 -6.335 300 HH TYR 38 HH TYR 38 -9.415 -12.085 -4.053 301 H LYS 39 HN LYS 39 -9.049 -3.795 -4.281 302 HA LYS 39 HA LYS 39 -9.931 -1.326 -5.501 303 1HB LYS 39 HB2 LYS 39 -9.061 -1.477 -3.167 304 2HB LYS 39 HB1 LYS 39 -7.474 -1.855 -3.817 305 1HG LYS 39 HG2 LYS 39 -7.285 0.417 -3.484 306 2HG LYS 39 HG1 LYS 39 -7.798 0.374 -5.166 307 1HD LYS 39 HD2 LYS 39 -10.213 0.456 -3.974 308 2HD LYS 39 HD1 LYS 39 -9.268 1.296 -2.748 309 1HE LYS 39 HE2 LYS 39 -9.759 2.065 -5.616 310 2HE LYS 39 HE1 LYS 39 -10.044 3.007 -4.159 311 1HZ LYS 39 HZ3 LYS 39 -7.386 2.609 -4.046 312 2HZ LYS 39 HZ2 LYS 39 -7.634 2.698 -5.731 313 3HZ LYS 39 HZ1 LYS 39 -8.131 3.983 -4.716 314 H ASP 40 HN ASP 40 -7.141 -3.501 -5.804 315 HA ASP 40 HA ASP 40 -6.652 -2.674 -8.523 316 1HB ASP 40 HB2 ASP 40 -4.508 -1.722 -8.288 317 2HB ASP 40 HB1 ASP 40 -5.478 -0.926 -7.059 318 H ALA 41 HN ALA 41 -4.129 -3.665 -8.901 319 HA ALA 41 HA ALA 41 -4.538 -6.481 -8.946 320 1HB ALA 41 HB2 ALA 41 -3.183 -5.223 -10.615 321 2HB ALA 41 HB1 ALA 41 -1.948 -4.976 -9.377 322 3HB ALA 41 HB3 ALA 41 -2.332 -6.607 -9.928 323 H LYS 42 HN LYS 42 -2.638 -4.356 -6.825 324 HA LYS 42 HA LYS 42 -1.266 -6.424 -5.410 325 1HB LYS 42 HB2 LYS 42 -1.973 -3.594 -4.588 326 2HB LYS 42 HB1 LYS 42 -0.913 -4.660 -3.671 327 1HG LYS 42 HG2 LYS 42 -0.377 -4.046 -6.570 328 2HG LYS 42 HG1 LYS 42 0.164 -2.966 -5.288 329 1HD LYS 42 HD2 LYS 42 0.811 -5.811 -4.840 330 2HD LYS 42 HD1 LYS 42 1.607 -5.086 -6.232 331 1HE LYS 42 HE2 LYS 42 2.541 -3.323 -4.844 332 2HE LYS 42 HE1 LYS 42 1.636 -3.897 -3.448 333 1HZ LYS 42 HZ1 LYS 42 3.456 -5.759 -4.792 334 2HZ LYS 42 HZ3 LYS 42 4.120 -4.538 -3.800 335 3HZ LYS 42 HZ2 LYS 42 3.010 -5.660 -3.146 336 H SER 43 HN SER 43 -4.311 -4.708 -4.863 337 HA SER 43 HA SER 43 -4.979 -5.869 -2.362 338 1HB SER 43 HB2 SER 43 -6.830 -4.818 -4.503 339 2HB SER 43 HB1 SER 43 -7.230 -5.064 -2.805 340 HG SER 43 HG SER 43 -5.413 -3.189 -3.940 341 H ALA 44 HN ALA 44 -5.499 -6.888 -5.690 342 HA ALA 44 HA ALA 44 -7.228 -9.111 -5.073 343 1HB ALA 44 HB3 ALA 44 -5.688 -8.311 -7.549 344 2HB ALA 44 HB2 ALA 44 -6.709 -9.747 -7.470 345 3HB ALA 44 HB1 ALA 44 -7.419 -8.145 -7.254 346 H ALA 45 HN ALA 45 -3.771 -8.693 -5.754 347 HA ALA 45 HA ALA 45 -3.038 -11.430 -5.770 348 1HB ALA 45 HB2 ALA 45 -1.638 -9.608 -6.685 349 2HB ALA 45 HB1 ALA 45 -1.337 -9.032 -5.048 350 3HB ALA 45 HB3 ALA 45 -0.753 -10.620 -5.548 351 H SER 46 HN SER 46 -2.813 -8.975 -3.181 352 HA SER 46 HA SER 46 -1.889 -10.813 -1.185 353 1HB SER 46 HB2 SER 46 -3.214 -8.135 -0.744 354 2HB SER 46 HB1 SER 46 -2.126 -8.987 0.349 355 HG SER 46 HG SER 46 -0.778 -8.799 -1.876 356 H GLY 47 HN GLY 47 -5.052 -9.783 -2.273 357 1HA GLY 47 HA2 GLY 47 -7.104 -10.817 -1.917 358 2HA GLY 47 HA1 GLY 47 -6.357 -11.852 -0.702 359 H ILE 48 HN ILE 48 -6.775 -8.340 -1.116 360 HA ILE 48 HA ILE 48 -7.483 -8.049 1.721 361 HB ILE 48 HB ILE 48 -7.202 -5.834 -0.318 362 1HG1 ILE 48 HG12 ILE 48 -5.026 -7.177 1.312 363 2HG1 ILE 48 HG11 ILE 48 -5.152 -7.143 -0.442 364 1HG2 ILE 48 HG21 ILE 48 -8.215 -5.268 1.864 365 2HG2 ILE 48 HG23 ILE 48 -6.771 -5.875 2.677 366 3HG2 ILE 48 HG22 ILE 48 -6.664 -4.467 1.618 367 1HD1 ILE 48 HD12 ILE 48 -5.056 -4.577 -0.220 368 2HD1 ILE 48 HD11 ILE 48 -4.484 -4.879 1.420 369 3HD1 ILE 48 HD13 ILE 48 -3.563 -5.485 0.044 370 HA PRO 49 HA PRO 49 -11.817 -8.026 0.566 371 1HB PRO 49 HB2 PRO 49 -12.856 -7.340 2.986 372 2HB PRO 49 HB1 PRO 49 -12.271 -8.960 2.591 373 1HG PRO 49 HG2 PRO 49 -10.940 -6.797 4.157 374 2HG PRO 49 HG1 PRO 49 -10.933 -8.546 4.425 375 1HD PRO 49 HD2 PRO 49 -8.865 -7.159 3.263 376 2HD PRO 49 HD1 PRO 49 -9.185 -8.880 2.981 377 H TYR 50 HN TYR 50 -12.134 -6.341 -0.824 378 HA TYR 50 HA TYR 50 -12.108 -3.562 0.094 379 1HB TYR 50 HB2 TYR 50 -11.114 -4.165 -2.092 380 2HB TYR 50 HB1 TYR 50 -12.684 -4.722 -2.645 381 HD1 TYR 50 HD1 TYR 50 -11.058 -1.684 -1.184 382 HD2 TYR 50 HD2 TYR 50 -14.019 -3.249 -3.830 383 HE1 TYR 50 HE1 TYR 50 -11.595 0.600 -1.937 384 HE2 TYR 50 HE2 TYR 50 -14.552 -0.965 -4.582 385 HH TYR 50 HH TYR 50 -13.772 1.742 -2.984 386 H HIS 51 HN HIS 51 -13.868 -2.799 1.057 387 HA HIS 51 HA HIS 51 -16.024 -2.271 1.558 388 1HB HIS 51 HB2 HIS 51 -16.123 -2.838 -1.324 389 2HB HIS 51 HB1 HIS 51 -17.663 -3.103 -0.529 390 HD1 HIS 51 HD1 HIS 51 -18.510 -0.972 0.949 391 HD2 HIS 51 HD2 HIS 51 -15.591 -0.213 -1.887 392 HE1 HIS 51 HE1 HIS 51 -18.567 1.511 0.602 393 H SER 52 HN SER 52 -18.438 -3.492 1.302 394 HA SER 52 HA SER 52 -18.112 -5.806 2.996 395 1HB SER 52 HB2 SER 52 -20.607 -4.523 1.853 396 2HB SER 52 HB1 SER 52 -20.580 -5.789 3.081 397 HG SER 52 HG SER 52 -19.979 -4.378 4.561 398 H GLU 53 HN GLU 53 -19.547 -5.231 -0.226 399 HA GLU 53 HA GLU 53 -19.848 -8.103 -0.696 400 1HB GLU 53 HB2 GLU 53 -20.786 -7.290 -2.921 401 2HB GLU 53 HB1 GLU 53 -21.686 -6.850 -1.479 402 1HG GLU 53 HG2 GLU 53 -19.628 -4.925 -2.484 403 2HG GLU 53 HG1 GLU 53 -21.141 -5.071 -3.372 404 H VAL 54 HN VAL 54 -17.497 -8.480 -0.582 405 HA VAL 54 HA VAL 54 -15.833 -7.481 -2.732 406 HB VAL 54 HB VAL 54 -14.974 -9.816 -1.074 407 1HG1 VAL 54 HG13 VAL 54 -13.576 -8.749 -2.858 408 2HG1 VAL 54 HG12 VAL 54 -13.519 -7.301 -1.850 409 3HG1 VAL 54 HG11 VAL 54 -12.831 -8.814 -1.261 410 1HG2 VAL 54 HG23 VAL 54 -15.461 -7.046 -0.021 411 2HG2 VAL 54 HG22 VAL 54 -15.894 -8.594 0.700 412 3HG2 VAL 54 HG21 VAL 54 -14.207 -8.082 0.660 413 HA PRO 55 HA PRO 55 -16.468 -11.834 -4.504 414 1HB PRO 55 HB2 PRO 55 -17.591 -13.799 -2.995 415 2HB PRO 55 HB1 PRO 55 -15.891 -13.332 -2.871 416 1HG PRO 55 HG2 PRO 55 -18.033 -12.954 -0.943 417 2HG PRO 55 HG1 PRO 55 -16.290 -12.727 -0.731 418 1HD PRO 55 HD2 PRO 55 -18.377 -10.734 -1.285 419 2HD PRO 55 HD1 PRO 55 -16.730 -10.497 -0.687 420 H VAL 56 HN VAL 56 -18.017 -12.537 -5.966 421 HA VAL 56 HA VAL 56 -20.848 -12.413 -5.228 422 HB VAL 56 HB VAL 56 -19.610 -10.347 -6.749 423 1HG1 VAL 56 HG11 VAL 56 -19.980 -11.807 -8.742 424 2HG1 VAL 56 HG13 VAL 56 -21.707 -11.773 -8.385 425 3HG1 VAL 56 HG12 VAL 56 -20.857 -10.280 -8.789 426 1HG2 VAL 56 HG23 VAL 56 -22.484 -11.009 -6.103 427 2HG2 VAL 56 HG22 VAL 56 -21.381 -10.008 -5.148 428 3HG2 VAL 56 HG21 VAL 56 -21.934 -9.448 -6.730 429 H SER 57 HN SER 57 -22.189 -13.685 -6.453 430 HA SER 57 HA SER 57 -20.880 -15.970 -7.690 431 1HB SER 57 HB2 SER 57 -22.837 -16.067 -6.048 432 2HB SER 57 HB1 SER 57 -23.835 -15.560 -7.401 433 HG SER 57 HG SER 57 -23.878 -17.580 -7.959 434 H LEU 58 HN LEU 58 -20.371 -15.954 -9.760 435 HA LEU 58 HA LEU 58 -21.913 -14.350 -11.692 436 1HB LEU 58 HB2 LEU 58 -19.347 -14.227 -11.486 437 2HB LEU 58 HB1 LEU 58 -19.329 -15.822 -12.228 438 HG LEU 58 HG LEU 58 -20.729 -14.812 -14.107 439 1HD1 LEU 58 HD12 LEU 58 -19.999 -12.334 -12.577 440 2HD1 LEU 58 HD11 LEU 58 -20.237 -12.285 -14.324 441 3HD1 LEU 58 HD13 LEU 58 -21.554 -12.798 -13.268 442 1HD2 LEU 58 HD22 LEU 58 -17.919 -13.793 -13.680 443 2HD2 LEU 58 HD21 LEU 58 -18.370 -15.356 -14.372 444 3HD2 LEU 58 HD23 LEU 58 -18.765 -13.860 -15.226 445 H LYS 59 HN LYS 59 -23.392 -16.321 -10.853 446 HA LYS 59 HA LYS 59 -23.172 -18.575 -12.751 447 1HB LYS 59 HB2 LYS 59 -23.587 -18.578 -10.010 448 2HB LYS 59 HB1 LYS 59 -25.220 -18.735 -10.642 449 1HG LYS 59 HG2 LYS 59 -24.739 -20.759 -11.712 450 2HG LYS 59 HG1 LYS 59 -23.006 -20.457 -11.709 451 1HD LYS 59 HD2 LYS 59 -22.722 -21.230 -9.588 452 2HD LYS 59 HD1 LYS 59 -24.275 -20.612 -9.041 453 1HE LYS 59 HE2 LYS 59 -24.009 -23.013 -10.855 454 2HE LYS 59 HE1 LYS 59 -24.040 -23.138 -9.101 455 1HZ LYS 59 HZ1 LYS 59 -26.196 -21.643 -9.515 456 2HZ LYS 59 HZ3 LYS 59 -26.190 -22.544 -10.960 457 3HZ LYS 59 HZ2 LYS 59 -26.225 -23.354 -9.459 458 H GLU 60 HN GLU 60 -24.533 -18.571 -14.432 459 HA GLU 60 HA GLU 60 -26.284 -18.071 -15.826 460 1HB GLU 60 HB2 GLU 60 -27.881 -17.312 -13.365 461 2HB GLU 60 HB1 GLU 60 -28.488 -17.866 -14.918 462 1HG GLU 60 HG2 GLU 60 -27.767 -20.084 -14.544 463 2HG GLU 60 HG1 GLU 60 -26.721 -19.619 -13.209 464 H ALA 61 HN ALA 61 -24.333 -16.084 -15.271 465 HA ALA 61 HA ALA 61 -25.594 -13.519 -14.889 466 1HB ALA 61 HB2 ALA 61 -23.141 -14.251 -14.375 467 2HB ALA 61 HB1 ALA 61 -22.850 -13.858 -16.073 468 3HB ALA 61 HB3 ALA 61 -23.453 -12.618 -14.965 469 H ILE 62 HN ILE 62 -26.704 -12.456 -16.375 470 HA ILE 62 HA ILE 62 -26.404 -13.103 -19.230 471 HB ILE 62 HB ILE 62 -28.409 -11.187 -18.046 472 1HG1 ILE 62 HG12 ILE 62 -28.521 -14.203 -18.111 473 2HG1 ILE 62 HG11 ILE 62 -28.794 -13.125 -16.745 474 1HG2 ILE 62 HG21 ILE 62 -27.868 -11.655 -20.614 475 2HG2 ILE 62 HG23 ILE 62 -28.974 -13.000 -20.335 476 3HG2 ILE 62 HG22 ILE 62 -29.512 -11.345 -20.044 477 1HD1 ILE 62 HD12 ILE 62 -30.714 -12.249 -18.462 478 2HD1 ILE 62 HD11 ILE 62 -30.636 -13.959 -18.891 479 3HD1 ILE 62 HD13 ILE 62 -30.982 -13.480 -17.228 480 H CYS 63 HN CYS 63 -25.442 -11.737 -20.630 481 HA CYS 63 HA CYS 63 -24.529 -9.108 -19.624 482 1HB CYS 63 HB2 CYS 63 -23.029 -11.255 -20.623 483 2HB CYS 63 HB1 CYS 63 -23.049 -10.073 -21.916 484 HG CYS 63 HG CYS 63 -22.303 -8.467 -19.651 485 H GLU 64 HN GLU 64 -24.355 -7.377 -21.163 486 HA GLU 64 HA GLU 64 -25.774 -7.554 -23.713 487 1HB GLU 64 HB2 GLU 64 -27.227 -6.833 -21.437 488 2HB GLU 64 HB1 GLU 64 -26.787 -5.287 -22.151 489 1HG GLU 64 HG2 GLU 64 -27.793 -5.921 -24.268 490 2HG GLU 64 HG1 GLU 64 -28.136 -7.541 -23.652 491 H VAL 65 HN VAL 65 -25.369 -5.646 -25.036 492 HA VAL 65 HA VAL 65 -22.875 -4.269 -24.267 493 HB VAL 65 HB VAL 65 -24.252 -4.272 -26.955 494 1HG1 VAL 65 HG11 VAL 65 -21.479 -3.538 -26.020 495 2HG1 VAL 65 HG13 VAL 65 -21.872 -3.823 -27.718 496 3HG1 VAL 65 HG12 VAL 65 -22.657 -2.511 -26.839 497 1HG2 VAL 65 HG22 VAL 65 -22.363 -6.255 -25.720 498 2HG2 VAL 65 HG21 VAL 65 -23.821 -6.547 -26.670 499 3HG2 VAL 65 HG23 VAL 65 -22.351 -5.976 -27.460 500 H ALA 66 HN ALA 66 -22.639 -2.053 -24.300 501 HA ALA 66 HA ALA 66 -24.947 -0.293 -24.767 502 1HB ALA 66 HB2 ALA 66 -23.425 -0.493 -22.156 503 2HB ALA 66 HB1 ALA 66 -24.443 0.881 -22.592 504 3HB ALA 66 HB3 ALA 66 -25.154 -0.722 -22.406 505 H LEU 67 HN LEU 67 -23.702 0.320 -26.624 506 HA LEU 67 HA LEU 67 -21.029 1.385 -26.319 507 1HB LEU 67 HB2 LEU 67 -22.955 1.004 -28.570 508 2HB LEU 67 HB1 LEU 67 -21.604 2.107 -28.785 509 HG LEU 67 HG LEU 67 -21.195 -0.681 -27.759 510 1HD1 LEU 67 HD23 LEU 67 -21.350 0.222 -30.632 511 2HD1 LEU 67 HD22 LEU 67 -20.603 -1.290 -30.117 512 3HD1 LEU 67 HD21 LEU 67 -22.322 -1.011 -29.839 513 1HD2 LEU 67 HD11 LEU 67 -19.440 1.254 -27.709 514 2HD2 LEU 67 HD13 LEU 67 -18.959 -0.366 -28.220 515 3HD2 LEU 67 HD12 LEU 67 -19.269 0.882 -29.424 516 H ASP 68 HN ASP 68 -24.255 2.709 -26.270 517 HA ASP 68 HA ASP 68 -23.123 5.444 -26.064 518 1HB ASP 68 HB2 ASP 68 -24.330 4.910 -28.269 519 2HB ASP 68 HB1 ASP 68 -25.810 4.844 -27.319 520 H TYR 69 HN TYR 69 -23.160 4.919 -23.744 521 HA TYR 69 HA TYR 69 -25.875 5.070 -22.563 522 1HB TYR 69 HB2 TYR 69 -24.679 3.045 -21.933 523 2HB TYR 69 HB1 TYR 69 -23.299 3.995 -21.396 524 HD1 TYR 69 HD1 TYR 69 -27.004 4.233 -20.835 525 HD2 TYR 69 HD2 TYR 69 -23.114 3.996 -19.094 526 HE1 TYR 69 HE1 TYR 69 -27.992 4.473 -18.593 527 HE2 TYR 69 HE2 TYR 69 -24.109 4.222 -16.855 528 HH TYR 69 HH TYR 69 -27.364 3.851 -16.212 529 H LYS 70 HN LYS 70 -25.809 7.379 -22.977 530 HA LYS 70 HA LYS 70 -25.645 9.556 -22.322 531 1HB LYS 70 HB2 LYS 70 -24.707 8.472 -19.655 532 2HB LYS 70 HB1 LYS 70 -25.439 10.038 -19.968 533 1HG LYS 70 HG2 LYS 70 -27.154 7.946 -20.962 534 2HG LYS 70 HG1 LYS 70 -26.740 7.627 -19.282 535 1HD LYS 70 HD2 LYS 70 -27.451 9.957 -18.723 536 2HD LYS 70 HD1 LYS 70 -27.954 10.163 -20.397 537 1HE LYS 70 HE2 LYS 70 -29.068 8.131 -18.455 538 2HE LYS 70 HE1 LYS 70 -29.877 9.601 -18.991 539 1HZ LYS 70 HZ2 LYS 70 -29.237 8.392 -21.314 540 2HZ LYS 70 HZ1 LYS 70 -29.621 7.062 -20.317 541 3HZ LYS 70 HZ3 LYS 70 -30.757 8.312 -20.554 542 H LYS 71 HN LYS 71 -23.625 8.977 -23.864 543 HA LYS 71 HA LYS 71 -21.539 9.543 -24.547 544 1HB LYS 71 HB2 LYS 71 -22.579 11.762 -23.603 545 2HB LYS 71 HB1 LYS 71 -21.317 11.610 -22.391 546 1HG LYS 71 HG2 LYS 71 -20.596 13.002 -24.284 547 2HG LYS 71 HG1 LYS 71 -19.616 11.546 -24.156 548 1HD LYS 71 HD2 LYS 71 -20.410 10.653 -26.104 549 2HD LYS 71 HD1 LYS 71 -22.010 11.369 -25.908 550 1HE LYS 71 HE2 LYS 71 -19.738 13.231 -26.399 551 2HE LYS 71 HE1 LYS 71 -20.264 12.231 -27.745 552 1HZ LYS 71 HZ1 LYS 71 -22.040 14.010 -26.153 553 2HZ LYS 71 HZ3 LYS 71 -21.384 14.378 -27.687 554 3HZ LYS 71 HZ2 LYS 71 -22.489 13.088 -27.518 555 H LYS 72 HN LYS 72 -20.748 7.486 -23.825 556 HA LYS 72 HA LYS 72 -18.533 7.740 -21.918 557 1HB LYS 72 HB2 LYS 72 -20.776 5.713 -21.721 558 2HB LYS 72 HB1 LYS 72 -19.187 5.415 -21.022 559 1HG LYS 72 HG2 LYS 72 -19.656 7.871 -20.011 560 2HG LYS 72 HG1 LYS 72 -21.314 7.301 -20.168 561 1HD LYS 72 HD2 LYS 72 -20.749 6.595 -18.018 562 2HD LYS 72 HD1 LYS 72 -20.429 5.154 -18.978 563 1HE LYS 72 HE2 LYS 72 -18.454 5.237 -17.818 564 2HE LYS 72 HE1 LYS 72 -18.018 6.282 -19.163 565 1HZ LYS 72 HZ2 LYS 72 -19.295 7.701 -17.018 566 2HZ LYS 72 HZ1 LYS 72 -17.852 6.921 -16.537 567 3HZ LYS 72 HZ3 LYS 72 -17.825 8.025 -17.834 568 H LYS 73 HN LYS 73 -17.449 5.323 -22.013 569 HA LYS 73 HA LYS 73 -16.648 5.058 -24.800 570 1HB LYS 73 HB2 LYS 73 -15.592 3.496 -22.436 571 2HB LYS 73 HB1 LYS 73 -14.804 3.807 -23.980 572 1HG LYS 73 HG2 LYS 73 -14.692 6.216 -23.422 573 2HG LYS 73 HG1 LYS 73 -15.430 5.871 -21.859 574 1HD LYS 73 HD2 LYS 73 -13.061 6.026 -21.505 575 2HD LYS 73 HD1 LYS 73 -13.518 4.334 -21.358 576 1HE LYS 73 HE2 LYS 73 -11.439 4.611 -22.658 577 2HE LYS 73 HE1 LYS 73 -12.719 3.896 -23.628 578 1HZ LYS 73 HZ2 LYS 73 -12.393 6.807 -23.681 579 2HZ LYS 73 HZ1 LYS 73 -11.269 5.847 -24.531 580 3HZ LYS 73 HZ3 LYS 73 -12.930 5.745 -24.908 581 H HIS 74 HN HIS 74 -15.897 2.169 -24.045 582 HA HIS 74 HA HIS 74 -18.295 0.921 -25.153 583 1HB HIS 74 HB2 HIS 74 -15.453 0.087 -24.699 584 2HB HIS 74 HB1 HIS 74 -16.673 -1.166 -24.829 585 HD1 HIS 74 HD1 HIS 74 -16.382 2.008 -26.862 586 HD2 HIS 74 HD2 HIS 74 -16.262 -2.091 -27.395 587 HE1 HIS 74 HE1 HIS 74 -16.311 1.681 -29.341 588 H VAL 75 HN VAL 75 -19.841 0.849 -23.583 589 HA VAL 75 HA VAL 75 -19.188 -0.383 -20.982 590 HB VAL 75 HB VAL 75 -21.658 1.173 -21.777 591 1HG1 VAL 75 HG12 VAL 75 -20.672 0.081 -19.161 592 2HG1 VAL 75 HG11 VAL 75 -21.843 1.395 -19.242 593 3HG1 VAL 75 HG13 VAL 75 -22.231 -0.180 -19.941 594 1HG2 VAL 75 HG22 VAL 75 -19.014 2.112 -21.120 595 2HG2 VAL 75 HG21 VAL 75 -20.433 3.033 -21.607 596 3HG2 VAL 75 HG23 VAL 75 -20.175 2.645 -19.905 597 H PHE 76 HN PHE 76 -20.635 -1.982 -20.128 598 HA PHE 76 HA PHE 76 -22.517 -3.256 -21.944 599 1HB PHE 76 HB2 PHE 76 -21.492 -5.476 -21.739 600 2HB PHE 76 HB1 PHE 76 -20.441 -4.353 -22.580 601 HD1 PHE 76 HD1 PHE 76 -18.380 -3.543 -21.540 602 HD2 PHE 76 HD2 PHE 76 -20.889 -6.402 -19.598 603 HE1 PHE 76 HE1 PHE 76 -16.563 -4.063 -19.959 604 HE2 PHE 76 HE2 PHE 76 -19.071 -6.922 -18.016 605 HZ PHE 76 HZ PHE 76 -16.875 -5.856 -18.273 606 H LYS 77 HN LYS 77 -24.049 -4.458 -20.887 607 HA LYS 77 HA LYS 77 -24.335 -3.944 -18.026 608 1HB LYS 77 HB2 LYS 77 -26.166 -5.191 -20.079 609 2HB LYS 77 HB1 LYS 77 -26.576 -5.042 -18.376 610 1HG LYS 77 HG2 LYS 77 -25.723 -2.486 -19.174 611 2HG LYS 77 HG1 LYS 77 -26.770 -3.071 -20.463 612 1HD LYS 77 HD2 LYS 77 -28.433 -3.711 -18.638 613 2HD LYS 77 HD1 LYS 77 -27.424 -2.794 -17.526 614 1HE LYS 77 HE2 LYS 77 -27.696 -0.855 -19.222 615 2HE LYS 77 HE1 LYS 77 -29.027 -1.807 -19.870 616 1HZ LYS 77 HZ1 LYS 77 -29.297 -1.702 -17.080 617 2HZ LYS 77 HZ3 LYS 77 -29.042 -0.114 -17.659 618 3HZ LYS 77 HZ2 LYS 77 -30.324 -1.051 -18.282 619 H LEU 78 HN LEU 78 -24.802 -5.584 -16.515 620 HA LEU 78 HA LEU 78 -24.289 -8.358 -17.233 621 1HB LEU 78 HB2 LEU 78 -22.218 -6.798 -16.178 622 2HB LEU 78 HB1 LEU 78 -22.840 -7.673 -14.794 623 HG LEU 78 HG LEU 78 -21.513 -8.690 -17.262 624 1HD1 LEU 78 HD22 LEU 78 -20.305 -8.362 -15.128 625 2HD1 LEU 78 HD21 LEU 78 -21.361 -9.560 -14.375 626 3HD1 LEU 78 HD23 LEU 78 -20.276 -10.035 -15.684 627 1HD2 LEU 78 HD11 LEU 78 -23.795 -10.035 -15.930 628 2HD2 LEU 78 HD13 LEU 78 -23.196 -10.177 -17.588 629 3HD2 LEU 78 HD12 LEU 78 -22.388 -11.030 -16.270 630 H ARG 79 HN ARG 79 -26.237 -9.080 -16.612 631 HA ARG 79 HA ARG 79 -27.377 -8.246 -14.016 632 1HB ARG 79 HB2 ARG 79 -28.748 -8.121 -16.151 633 2HB ARG 79 HB1 ARG 79 -28.717 -9.882 -16.181 634 1HG ARG 79 HG2 ARG 79 -29.746 -9.879 -13.894 635 2HG ARG 79 HG1 ARG 79 -29.884 -8.128 -14.015 636 1HD ARG 79 HD2 ARG 79 -31.164 -8.619 -16.231 637 2HD ARG 79 HD1 ARG 79 -31.348 -10.245 -15.580 638 HE ARG 79 HE ARG 79 -32.358 -7.749 -14.288 639 1HH1 ARG 79 HH11 ARG 79 -32.038 -11.150 -13.835 640 2HH1 ARG 79 HH12 ARG 79 -33.687 -11.397 -13.329 641 1HH2 ARG 79 HH21 ARG 79 -34.688 -8.095 -14.033 642 2HH2 ARG 79 HH22 ARG 79 -35.206 -9.667 -13.461 643 H LEU 80 HN LEU 80 -27.107 -9.568 -12.327 644 HA LEU 80 HA LEU 80 -25.903 -12.158 -12.558 645 1HB LEU 80 HB2 LEU 80 -27.197 -10.712 -10.239 646 2HB LEU 80 HB1 LEU 80 -26.369 -12.258 -10.085 647 HG LEU 80 HG LEU 80 -25.165 -9.672 -11.089 648 1HD1 LEU 80 HD12 LEU 80 -25.594 -9.650 -8.668 649 2HD1 LEU 80 HD11 LEU 80 -24.663 -11.142 -8.499 650 3HD1 LEU 80 HD13 LEU 80 -23.869 -9.661 -9.029 651 1HD2 LEU 80 HD21 LEU 80 -24.113 -12.461 -10.908 652 2HD2 LEU 80 HD23 LEU 80 -23.909 -11.266 -12.190 653 3HD2 LEU 80 HD22 LEU 80 -23.007 -11.105 -10.683 654 H SER 81 HN SER 81 -27.015 -14.018 -11.217 655 HA SER 81 HA SER 81 -29.003 -15.167 -12.656 656 1HB SER 81 HB2 SER 81 -29.234 -15.963 -9.894 657 2HB SER 81 HB1 SER 81 -28.606 -16.843 -11.272 658 HG SER 81 HG SER 81 -26.589 -16.142 -10.878 659 H ASP 82 HN ASP 82 -29.470 -13.326 -9.651 660 HA ASP 82 HA ASP 82 -31.922 -12.140 -10.418 661 1HB ASP 82 HB2 ASP 82 -32.805 -14.479 -10.229 662 2HB ASP 82 HB1 ASP 82 -32.298 -14.507 -8.546 663 H GLY 83 HN GLY 83 -30.360 -10.521 -9.403 664 1HA GLY 83 HA2 GLY 83 -31.114 -10.043 -6.665 665 2HA GLY 83 HA1 GLY 83 -29.424 -10.511 -6.836 666 H ASN 84 HN ASN 84 -28.263 -9.239 -8.708 667 HA ASN 84 HA ASN 84 -29.060 -6.401 -8.678 668 1HB ASN 84 HB2 ASN 84 -26.363 -7.582 -7.967 669 2HB ASN 84 HB1 ASN 84 -26.594 -5.887 -8.366 670 1HD2 ASN 84 HD22 ASN 84 -27.294 -5.077 -5.075 671 2HD2 ASN 84 HD21 ASN 84 -26.576 -4.690 -6.600 672 H GLU 85 HN GLU 85 -28.060 -5.154 -10.322 673 HA GLU 85 HA GLU 85 -26.915 -6.604 -12.622 674 1HB GLU 85 HB2 GLU 85 -28.766 -6.073 -13.869 675 2HB GLU 85 HB1 GLU 85 -29.452 -5.167 -12.531 676 1HG GLU 85 HG2 GLU 85 -28.301 -3.155 -13.202 677 2HG GLU 85 HG1 GLU 85 -27.362 -4.033 -14.408 678 H TYR 86 HN TYR 86 -25.156 -5.557 -13.482 679 HA TYR 86 HA TYR 86 -24.491 -2.879 -12.400 680 1HB TYR 86 HB2 TYR 86 -22.638 -5.259 -12.587 681 2HB TYR 86 HB1 TYR 86 -22.143 -3.622 -12.172 682 HD1 TYR 86 HD1 TYR 86 -23.009 -2.558 -10.102 683 HD2 TYR 86 HD2 TYR 86 -23.579 -6.705 -10.955 684 HE1 TYR 86 HE1 TYR 86 -23.497 -2.978 -7.733 685 HE2 TYR 86 HE2 TYR 86 -24.062 -7.122 -8.577 686 HH TYR 86 HH TYR 86 -24.131 -6.250 -6.514 687 H LEU 87 HN LEU 87 -23.384 -1.528 -13.693 688 HA LEU 87 HA LEU 87 -23.167 -2.223 -16.554 689 1HB LEU 87 HB2 LEU 87 -22.916 0.504 -15.247 690 2HB LEU 87 HB1 LEU 87 -23.049 0.159 -16.968 691 HG LEU 87 HG LEU 87 -25.167 -0.175 -14.843 692 1HD1 LEU 87 HD13 LEU 87 -24.730 2.096 -15.852 693 2HD1 LEU 87 HD12 LEU 87 -25.227 1.420 -17.407 694 3HD1 LEU 87 HD11 LEU 87 -26.370 1.481 -16.060 695 1HD2 LEU 87 HD23 LEU 87 -24.969 -1.330 -17.585 696 2HD2 LEU 87 HD22 LEU 87 -25.682 -2.017 -16.123 697 3HD2 LEU 87 HD21 LEU 87 -26.541 -0.765 -17.021 698 H PHE 88 HN PHE 88 -21.186 -2.641 -17.343 699 HA PHE 88 HA PHE 88 -18.820 -1.756 -15.803 700 1HB PHE 88 HB2 PHE 88 -19.420 -4.328 -17.215 701 2HB PHE 88 HB1 PHE 88 -17.757 -3.814 -16.951 702 HD1 PHE 88 HD1 PHE 88 -17.027 -3.306 -14.546 703 HD2 PHE 88 HD2 PHE 88 -20.624 -5.375 -15.531 704 HE1 PHE 88 HE1 PHE 88 -17.131 -4.217 -12.257 705 HE2 PHE 88 HE2 PHE 88 -20.739 -6.289 -13.253 706 HZ PHE 88 HZ PHE 88 -18.936 -5.655 -11.583 707 H GLN 89 HN GLN 89 -17.362 -0.568 -16.845 708 HA GLN 89 HA GLN 89 -17.571 -0.319 -19.792 709 1HB GLN 89 HB2 GLN 89 -18.082 1.819 -19.192 710 2HB GLN 89 HB1 GLN 89 -17.255 1.711 -17.651 711 1HG GLN 89 HG2 GLN 89 -15.102 2.053 -18.693 712 2HG GLN 89 HG1 GLN 89 -15.803 1.892 -20.303 713 1HE2 GLN 89 HE22 GLN 89 -15.603 5.483 -18.596 714 2HE2 GLN 89 HE21 GLN 89 -14.773 4.066 -18.029 715 H ALA 90 HN ALA 90 -15.851 -0.815 -20.951 716 HA ALA 90 HA ALA 90 -13.348 -1.582 -19.596 717 1HB ALA 90 HB1 ALA 90 -14.465 -2.180 -22.337 718 2HB ALA 90 HB3 ALA 90 -12.841 -2.636 -21.828 719 3HB ALA 90 HB2 ALA 90 -14.244 -3.309 -20.998 720 H LYS 91 HN LYS 91 -11.308 -1.018 -20.707 721 HA LYS 91 HA LYS 91 -11.262 1.809 -21.350 722 1HB LYS 91 HB2 LYS 91 -9.077 -0.268 -21.130 723 2HB LYS 91 HB1 LYS 91 -8.793 1.440 -21.442 724 1HG LYS 91 HG2 LYS 91 -8.750 1.747 -19.229 725 2HG LYS 91 HG1 LYS 91 -10.484 1.436 -19.228 726 1HD LYS 91 HD2 LYS 91 -9.470 -0.010 -17.596 727 2HD LYS 91 HD1 LYS 91 -9.981 -1.004 -18.956 728 1HE LYS 91 HE2 LYS 91 -7.329 -0.156 -19.513 729 2HE LYS 91 HE1 LYS 91 -7.351 -0.682 -17.833 730 1HZ LYS 91 HZ2 LYS 91 -8.530 -2.321 -19.991 731 2HZ LYS 91 HZ1 LYS 91 -6.875 -2.418 -19.597 732 3HZ LYS 91 HZ3 LYS 91 -8.056 -2.804 -18.431 733 H ASP 92 HN ASP 92 -10.534 -1.223 -23.058 734 HA ASP 92 HA ASP 92 -10.484 0.277 -25.627 735 1HB ASP 92 HB2 ASP 92 -8.321 -0.847 -24.845 736 2HB ASP 92 HB1 ASP 92 -9.133 -2.385 -25.125 737 H ASP 93 HN ASP 93 -11.242 -0.869 -27.490 738 HA ASP 93 HA ASP 93 -13.812 -2.027 -27.217 739 1HB ASP 93 HB2 ASP 93 -13.227 -0.784 -29.203 740 2HB ASP 93 HB1 ASP 93 -11.885 -1.864 -29.553 741 H GLU 94 HN GLU 94 -10.641 -3.462 -28.000 742 HA GLU 94 HA GLU 94 -11.550 -6.135 -28.348 743 1HB GLU 94 HB2 GLU 94 -8.822 -5.080 -27.559 744 2HB GLU 94 HB1 GLU 94 -9.162 -6.742 -28.035 745 1HG GLU 94 HG2 GLU 94 -10.118 -5.766 -30.200 746 2HG GLU 94 HG1 GLU 94 -9.372 -4.242 -29.723 747 H GLU 95 HN GLU 95 -10.608 -4.277 -25.533 748 HA GLU 95 HA GLU 95 -10.442 -6.442 -23.680 749 1HB GLU 95 HB2 GLU 95 -9.622 -3.945 -23.500 750 2HB GLU 95 HB1 GLU 95 -11.227 -3.677 -22.837 751 1HG GLU 95 HG2 GLU 95 -10.602 -5.773 -21.344 752 2HG GLU 95 HG1 GLU 95 -8.954 -5.294 -21.739 753 H MET 96 HN MET 96 -13.007 -4.121 -24.540 754 HA MET 96 HA MET 96 -15.007 -4.918 -22.749 755 1HB MET 96 HB2 MET 96 -15.049 -2.921 -24.289 756 2HB MET 96 HB1 MET 96 -15.458 -4.015 -25.604 757 1HG MET 96 HG2 MET 96 -17.313 -4.710 -23.699 758 2HG MET 96 HG1 MET 96 -17.128 -2.991 -23.401 759 1HE MET 96 HE3 MET 96 -17.679 -5.737 -25.851 760 2HE MET 96 HE2 MET 96 -18.853 -5.123 -27.013 761 3HE MET 96 HE1 MET 96 -17.136 -4.781 -27.232 762 H ASN 97 HN ASN 97 -14.258 -6.118 -26.004 763 HA ASN 97 HA ASN 97 -16.346 -8.018 -26.202 764 1HB ASN 97 HB2 ASN 97 -14.608 -7.022 -27.966 765 2HB ASN 97 HB1 ASN 97 -13.725 -8.489 -27.571 766 1HD2 ASN 97 HD22 ASN 97 -16.471 -8.789 -30.311 767 2HD2 ASN 97 HD21 ASN 97 -15.444 -7.437 -29.925 768 H THR 98 HN THR 98 -12.998 -8.259 -25.047 769 HA THR 98 HA THR 98 -12.920 -11.049 -24.582 770 HB THR 98 HB THR 98 -11.393 -8.828 -23.208 771 HG1 THR 98 HG1 THR 98 -10.878 -8.697 -25.316 772 1HG2 THR 98 HG21 THR 98 -11.115 -11.809 -23.176 773 2HG2 THR 98 HG23 THR 98 -9.672 -10.799 -23.071 774 3HG2 THR 98 HG22 THR 98 -10.941 -10.649 -21.857 775 H TRP 99 HN TRP 99 -13.836 -8.332 -22.462 776 HA TRP 99 HA TRP 99 -14.222 -9.832 -20.084 777 1HB TRP 99 HB2 TRP 99 -15.198 -7.157 -21.058 778 2HB TRP 99 HB1 TRP 99 -15.840 -7.834 -19.569 779 HD1 TRP 99 HD1 TRP 99 -13.022 -5.733 -20.766 780 HE1 TRP 99 HE1 TRP 99 -11.277 -5.463 -18.924 781 HE3 TRP 99 HE3 TRP 99 -14.604 -9.378 -17.519 782 HZ2 TRP 99 HZ2 TRP 99 -10.622 -6.613 -16.447 783 HZ3 TRP 99 HZ3 TRP 99 -13.360 -9.731 -15.424 784 HH2 TRP 99 HH2 TRP 99 -11.384 -8.361 -14.891 785 H ILE 100 HN ILE 100 -16.591 -8.716 -22.532 786 HA ILE 100 HA ILE 100 -18.872 -9.922 -21.399 787 HB ILE 100 HB ILE 100 -18.220 -9.205 -24.259 788 1HG1 ILE 100 HG12 ILE 100 -19.975 -7.824 -22.219 789 2HG1 ILE 100 HG11 ILE 100 -18.323 -7.354 -22.597 790 1HG2 ILE 100 HG23 ILE 100 -20.647 -10.477 -23.105 791 2HG2 ILE 100 HG22 ILE 100 -20.895 -9.179 -24.270 792 3HG2 ILE 100 HG21 ILE 100 -19.959 -10.603 -24.727 793 1HD1 ILE 100 HD12 ILE 100 -19.320 -7.321 -25.081 794 2HD1 ILE 100 HD11 ILE 100 -20.805 -6.995 -24.188 795 3HD1 ILE 100 HD13 ILE 100 -19.417 -5.923 -24.006 796 H GLN 101 HN GLN 101 -16.516 -11.175 -23.757 797 HA GLN 101 HA GLN 101 -17.802 -13.657 -24.267 798 1HB GLN 101 HB2 GLN 101 -14.971 -12.675 -24.567 799 2HB GLN 101 HB1 GLN 101 -15.418 -14.335 -24.953 800 1HG GLN 101 HG2 GLN 101 -17.151 -12.211 -26.108 801 2HG GLN 101 HG1 GLN 101 -15.514 -12.305 -26.748 802 1HE2 GLN 101 HE22 GLN 101 -16.082 -15.246 -28.564 803 2HE2 GLN 101 HE21 GLN 101 -14.980 -13.990 -28.075 804 H ALA 102 HN ALA 102 -15.274 -12.694 -21.951 805 HA ALA 102 HA ALA 102 -14.778 -15.248 -20.855 806 1HB ALA 102 HB3 ALA 102 -13.267 -13.341 -20.518 807 2HB ALA 102 HB2 ALA 102 -14.489 -12.543 -19.526 808 3HB ALA 102 HB1 ALA 102 -13.752 -14.053 -18.979 809 H ILE 103 HN ILE 103 -17.058 -12.708 -19.926 810 HA ILE 103 HA ILE 103 -18.084 -13.998 -17.595 811 HB ILE 103 HB ILE 103 -19.119 -11.804 -19.389 812 1HG1 ILE 103 HG12 ILE 103 -18.342 -11.497 -16.510 813 2HG1 ILE 103 HG11 ILE 103 -17.082 -11.611 -17.732 814 1HG2 ILE 103 HG21 ILE 103 -20.414 -12.993 -16.938 815 2HG2 ILE 103 HG23 ILE 103 -20.723 -11.339 -17.462 816 3HG2 ILE 103 HG22 ILE 103 -21.133 -12.682 -18.522 817 1HD1 ILE 103 HD11 ILE 103 -19.107 -9.754 -18.606 818 2HD1 ILE 103 HD13 ILE 103 -18.544 -9.324 -16.989 819 3HD1 ILE 103 HD12 ILE 103 -17.390 -9.475 -18.314 820 H SER 104 HN SER 104 -19.160 -13.885 -20.993 821 HA SER 104 HA SER 104 -21.539 -15.414 -20.657 822 1HB SER 104 HB2 SER 104 -19.838 -15.094 -23.144 823 2HB SER 104 HB1 SER 104 -21.517 -15.633 -23.086 824 HG SER 104 HG SER 104 -20.471 -13.060 -22.451 825 H SER 105 HN SER 105 -18.193 -16.313 -20.903 826 HA SER 105 HA SER 105 -18.790 -19.126 -21.496 827 1HB SER 105 HB2 SER 105 -16.115 -17.791 -21.029 828 2HB SER 105 HB1 SER 105 -16.393 -19.400 -21.692 829 HG SER 105 HG SER 105 -16.880 -16.870 -22.870 830 H ALA 106 HN ALA 106 -19.329 -17.595 -18.819 831 HA ALA 106 HA ALA 106 -17.661 -18.900 -16.873 832 1HB ALA 106 HB1 ALA 106 -20.301 -17.447 -16.583 833 2HB ALA 106 HB3 ALA 106 -19.295 -17.991 -15.238 834 3HB ALA 106 HB2 ALA 106 -18.692 -16.762 -16.350 No H/Q in entry = 834 Start of MODEL 7 1 1H MET 1 HT2 MET 1 -9.758 -11.319 -17.515 2 2H MET 1 HT1 MET 1 -8.507 -12.215 -18.247 3 3H MET 1 HT3 MET 1 -10.054 -12.904 -18.067 4 HA MET 1 HA MET 1 -9.662 -13.580 -16.022 5 1HB MET 1 HB2 MET 1 -7.461 -14.018 -17.254 6 2HB MET 1 HB1 MET 1 -6.810 -12.641 -16.377 7 1HG MET 1 HG2 MET 1 -7.650 -13.862 -14.254 8 2HG MET 1 HG1 MET 1 -7.795 -15.272 -15.296 9 1HE MET 1 HE1 MET 1 -6.224 -16.926 -14.588 10 2HE MET 1 HE3 MET 1 -4.564 -16.668 -14.035 11 3HE MET 1 HE2 MET 1 -5.919 -16.097 -13.062 12 H GLU 2 HN GLU 2 -7.367 -10.836 -15.978 13 HA GLU 2 HA GLU 2 -8.924 -9.597 -13.772 14 1HB GLU 2 HB2 GLU 2 -5.904 -9.642 -13.972 15 2HB GLU 2 HB1 GLU 2 -6.885 -8.967 -12.675 16 1HG GLU 2 HG2 GLU 2 -7.747 -11.302 -12.241 17 2HG GLU 2 HG1 GLU 2 -6.525 -11.883 -13.373 18 H GLY 3 HN GLY 3 -8.787 -7.305 -13.660 19 1HA GLY 3 HA2 GLY 3 -7.220 -5.598 -15.159 20 2HA GLY 3 HA1 GLY 3 -8.605 -5.969 -16.187 21 H PHE 4 HN PHE 4 -8.241 -3.410 -15.491 22 HA PHE 4 HA PHE 4 -9.920 -2.754 -13.168 23 1HB PHE 4 HB2 PHE 4 -8.137 -1.204 -14.995 24 2HB PHE 4 HB1 PHE 4 -9.433 -0.349 -14.184 25 HD1 PHE 4 HD1 PHE 4 -9.581 -0.508 -11.652 26 HD2 PHE 4 HD2 PHE 4 -6.096 -1.635 -13.860 27 HE1 PHE 4 HE1 PHE 4 -8.219 -0.282 -9.618 28 HE2 PHE 4 HE2 PHE 4 -4.738 -1.416 -11.815 29 HZ PHE 4 HZ PHE 4 -5.794 -0.739 -9.698 30 H LEU 5 HN LEU 5 -11.910 -1.894 -13.339 31 HA LEU 5 HA LEU 5 -13.105 -1.384 -15.981 32 1HB LEU 5 HB2 LEU 5 -13.895 -3.520 -14.028 33 2HB LEU 5 HB1 LEU 5 -15.149 -2.717 -14.959 34 HG LEU 5 HG LEU 5 -12.766 -4.149 -16.137 35 1HD1 LEU 5 HD11 LEU 5 -15.554 -4.997 -15.514 36 2HD1 LEU 5 HD13 LEU 5 -14.780 -5.629 -16.966 37 3HD1 LEU 5 HD12 LEU 5 -14.045 -5.904 -15.385 38 1HD2 LEU 5 HD22 LEU 5 -15.056 -2.625 -17.321 39 2HD2 LEU 5 HD21 LEU 5 -13.346 -2.591 -17.756 40 3HD2 LEU 5 HD23 LEU 5 -14.343 -3.976 -18.203 41 H ASN 6 HN ASN 6 -14.828 0.013 -15.930 42 HA ASN 6 HA ASN 6 -15.171 1.637 -13.518 43 1HB ASN 6 HB2 ASN 6 -15.072 2.364 -16.127 44 2HB ASN 6 HB1 ASN 6 -16.805 2.132 -15.961 45 1HD2 ASN 6 HD22 ASN 6 -16.149 5.659 -15.196 46 2HD2 ASN 6 HD21 ASN 6 -16.044 4.584 -16.559 47 H ARG 7 HN ARG 7 -16.676 0.994 -12.046 48 HA ARG 7 HA ARG 7 -18.895 -0.730 -13.002 49 1HB ARG 7 HB2 ARG 7 -17.228 -1.677 -11.371 50 2HB ARG 7 HB1 ARG 7 -17.828 -0.525 -10.181 51 1HG ARG 7 HG2 ARG 7 -19.991 -1.526 -10.163 52 2HG ARG 7 HG1 ARG 7 -19.658 -2.447 -11.626 53 1HD ARG 7 HD2 ARG 7 -19.482 -4.034 -9.898 54 2HD ARG 7 HD1 ARG 7 -17.812 -3.615 -10.265 55 HE ARG 7 HE ARG 7 -17.650 -2.497 -8.193 56 1HH1 ARG 7 HH21 ARG 7 -20.016 -0.992 -7.664 57 2HH1 ARG 7 HH22 ARG 7 -20.954 -1.956 -6.545 58 1HH2 ARG 7 HH11 ARG 7 -19.208 -4.933 -7.243 59 2HH2 ARG 7 HH12 ARG 7 -20.474 -4.213 -6.286 60 H LYS 8 HN LYS 8 -20.856 0.002 -12.947 61 HA LYS 8 HA LYS 8 -21.691 2.025 -10.967 62 1HB LYS 8 HB2 LYS 8 -21.381 3.284 -12.970 63 2HB LYS 8 HB1 LYS 8 -22.175 2.078 -13.956 64 1HG LYS 8 HG2 LYS 8 -23.940 3.015 -11.843 65 2HG LYS 8 HG1 LYS 8 -23.321 4.369 -12.785 66 1HD LYS 8 HD2 LYS 8 -24.317 3.646 -14.745 67 2HD LYS 8 HD1 LYS 8 -24.332 1.961 -14.244 68 1HE LYS 8 HE2 LYS 8 -26.593 3.061 -14.346 69 2HE LYS 8 HE1 LYS 8 -26.200 2.293 -12.812 70 1HZ LYS 8 HZ3 LYS 8 -25.831 5.194 -13.336 71 2HZ LYS 8 HZ2 LYS 8 -27.243 4.525 -12.640 72 3HZ LYS 8 HZ1 LYS 8 -25.751 4.388 -11.836 73 H HIS 9 HN HIS 9 -23.259 1.140 -9.805 74 HA HIS 9 HA HIS 9 -24.655 -1.212 -10.625 75 1HB HIS 9 HB2 HIS 9 -25.816 -0.735 -8.380 76 2HB HIS 9 HB1 HIS 9 -24.145 -1.228 -8.366 77 HD1 HIS 9 HD1 HIS 9 -24.339 -0.093 -5.911 78 HD2 HIS 9 HD2 HIS 9 -24.443 2.538 -9.104 79 HE1 HIS 9 HE1 HIS 9 -23.793 2.143 -4.926 80 H GLU 10 HN GLU 10 -26.623 -1.342 -11.490 81 HA GLU 10 HA GLU 10 -28.174 1.112 -12.006 82 1HB GLU 10 HB2 GLU 10 -27.646 -1.322 -13.478 83 2HB GLU 10 HB1 GLU 10 -29.382 -1.133 -13.266 84 1HG GLU 10 HG2 GLU 10 -27.569 1.043 -14.333 85 2HG GLU 10 HG1 GLU 10 -28.459 -0.082 -15.352 86 H TRP 11 HN TRP 11 -28.598 -2.209 -10.851 87 HA TRP 11 HA TRP 11 -30.702 -1.368 -8.993 88 1HB TRP 11 HB2 TRP 11 -31.925 -1.945 -11.017 89 2HB TRP 11 HB1 TRP 11 -31.041 -3.450 -11.165 90 HD1 TRP 11 HD1 TRP 11 -33.752 -1.828 -8.895 91 HE1 TRP 11 HE1 TRP 11 -35.137 -3.733 -7.900 92 HE3 TRP 11 HE3 TRP 11 -31.091 -5.851 -10.616 93 HZ2 TRP 11 HZ2 TRP 11 -35.135 -6.544 -7.830 94 HZ3 TRP 11 HZ3 TRP 11 -31.838 -8.125 -10.046 95 HH2 TRP 11 HH2 TRP 11 -33.833 -8.473 -8.668 96 H GLU 12 HN GLU 12 -30.227 -2.225 -7.098 97 HA GLU 12 HA GLU 12 -28.825 -4.836 -6.926 98 1HB GLU 12 HB2 GLU 12 -28.325 -2.446 -5.134 99 2HB GLU 12 HB1 GLU 12 -27.507 -4.004 -5.078 100 1HG GLU 12 HG2 GLU 12 -26.719 -3.573 -7.435 101 2HG GLU 12 HG1 GLU 12 -27.364 -1.943 -7.286 102 H ALA 13 HN ALA 13 -31.066 -2.520 -5.521 103 HA ALA 13 HA ALA 13 -31.828 -4.261 -3.314 104 1HB ALA 13 HB2 ALA 13 -31.802 -1.731 -3.200 105 2HB ALA 13 HB1 ALA 13 -33.206 -1.737 -4.268 106 3HB ALA 13 HB3 ALA 13 -33.304 -2.482 -2.669 107 H HIS 14 HN HIS 14 -34.703 -3.361 -3.688 108 HA HIS 14 HA HIS 14 -35.503 -5.384 -5.714 109 1HB HIS 14 HB2 HIS 14 -36.551 -4.763 -2.976 110 2HB HIS 14 HB1 HIS 14 -37.697 -5.285 -4.201 111 HD1 HIS 14 HD1 HIS 14 -37.917 -7.736 -4.473 112 HD2 HIS 14 HD2 HIS 14 -34.361 -6.730 -2.625 113 HE1 HIS 14 HE1 HIS 14 -36.875 -9.926 -3.832 114 H ASN 15 HN ASN 15 -36.901 -2.612 -3.969 115 HA ASN 15 HA ASN 15 -38.090 -1.641 -6.516 116 1HB ASN 15 HB2 ASN 15 -39.644 -2.430 -4.662 117 2HB ASN 15 HB1 ASN 15 -39.059 -1.075 -3.702 118 1HD2 ASN 15 HD22 ASN 15 -41.740 0.747 -5.042 119 2HD2 ASN 15 HD21 ASN 15 -40.985 0.040 -3.643 120 H LYS 16 HN LYS 16 -35.755 -0.800 -6.614 121 HA LYS 16 HA LYS 16 -35.735 2.003 -6.214 122 1HB LYS 16 HB2 LYS 16 -35.346 1.636 -3.891 123 2HB LYS 16 HB1 LYS 16 -34.230 0.315 -4.202 124 1HG LYS 16 HG2 LYS 16 -32.612 1.940 -5.159 125 2HG LYS 16 HG1 LYS 16 -33.736 3.246 -4.785 126 1HD LYS 16 HD2 LYS 16 -33.600 2.499 -2.365 127 2HD LYS 16 HD1 LYS 16 -32.291 1.426 -2.850 128 1HE LYS 16 HE2 LYS 16 -31.061 3.259 -2.224 129 2HE LYS 16 HE1 LYS 16 -31.322 3.648 -3.922 130 1HZ LYS 16 HZ1 LYS 16 -33.442 4.811 -2.985 131 2HZ LYS 16 HZ3 LYS 16 -32.549 4.820 -1.530 132 3HZ LYS 16 HZ2 LYS 16 -31.928 5.588 -2.919 133 H LYS 17 HN LYS 17 -34.025 2.957 -7.330 134 HA LYS 17 HA LYS 17 -32.358 1.140 -8.956 135 1HB LYS 17 HB2 LYS 17 -33.129 4.052 -9.242 136 2HB LYS 17 HB1 LYS 17 -31.873 3.302 -10.224 137 1HG LYS 17 HG2 LYS 17 -34.793 2.528 -10.100 138 2HG LYS 17 HG1 LYS 17 -33.947 3.262 -11.460 139 1HD LYS 17 HD2 LYS 17 -32.409 1.113 -11.233 140 2HD LYS 17 HD1 LYS 17 -33.835 0.447 -10.442 141 1HE LYS 17 HE2 LYS 17 -34.134 -0.169 -12.670 142 2HE LYS 17 HE1 LYS 17 -35.131 1.274 -12.513 143 1HZ LYS 17 HZ2 LYS 17 -33.079 2.511 -13.360 144 2HZ LYS 17 HZ1 LYS 17 -32.508 0.985 -13.852 145 3HZ LYS 17 HZ3 LYS 17 -33.974 1.581 -14.479 146 H ALA 18 HN ALA 18 -30.293 0.883 -8.438 147 HA ALA 18 HA ALA 18 -29.134 1.954 -6.129 148 1HB ALA 18 HB1 ALA 18 -28.473 -0.180 -7.087 149 2HB ALA 18 HB3 ALA 18 -27.780 0.644 -8.484 150 3HB ALA 18 HB2 ALA 18 -27.073 0.873 -6.883 151 H SER 19 HN SER 19 -28.188 3.817 -5.701 152 HA SER 19 HA SER 19 -26.603 5.262 -7.669 153 1HB SER 19 HB2 SER 19 -29.100 6.527 -6.495 154 2HB SER 19 HB1 SER 19 -27.894 7.349 -7.485 155 HG SER 19 HG SER 19 -28.823 5.056 -8.660 156 H SER 20 HN SER 20 -25.777 4.037 -5.348 157 HA SER 20 HA SER 20 -25.374 6.231 -3.392 158 1HB SER 20 HB2 SER 20 -24.939 3.256 -3.013 159 2HB SER 20 HB1 SER 20 -24.850 4.503 -1.771 160 HG SER 20 HG SER 20 -26.984 4.596 -1.669 161 H ARG 21 HN ARG 21 -23.936 5.748 -5.996 162 HA ARG 21 HA ARG 21 -21.318 6.427 -5.166 163 1HB ARG 21 HB2 ARG 21 -21.127 4.013 -4.682 164 2HB ARG 21 HB1 ARG 21 -21.645 3.635 -6.312 165 1HG ARG 21 HG2 ARG 21 -19.222 3.429 -6.109 166 2HG ARG 21 HG1 ARG 21 -19.646 4.719 -7.225 167 1HD ARG 21 HD2 ARG 21 -17.843 5.507 -5.859 168 2HD ARG 21 HD1 ARG 21 -19.287 6.361 -5.347 169 HE ARG 21 HE ARG 21 -17.777 4.360 -3.821 170 1HH1 ARG 21 HH11 ARG 21 -19.650 7.149 -3.508 171 2HH1 ARG 21 HH12 ARG 21 -20.545 6.631 -2.103 172 1HH2 ARG 21 HH21 ARG 21 -19.395 3.309 -2.257 173 2HH2 ARG 21 HH22 ARG 21 -20.422 4.441 -1.413 174 H SER 22 HN SER 22 -22.772 4.586 -7.836 175 HA SER 22 HA SER 22 -23.005 4.929 -10.051 176 1HB SER 22 HB2 SER 22 -22.889 7.872 -9.423 177 2HB SER 22 HB1 SER 22 -23.712 7.071 -10.754 178 HG SER 22 HG SER 22 -24.529 7.435 -8.149 179 H TRP 23 HN TRP 23 -21.302 4.180 -11.099 180 HA TRP 23 HA TRP 23 -19.389 4.039 -12.296 181 1HB TRP 23 HB2 TRP 23 -19.957 6.988 -12.492 182 2HB TRP 23 HB1 TRP 23 -18.554 6.279 -13.277 183 HD1 TRP 23 HD1 TRP 23 -21.895 7.269 -14.206 184 HE1 TRP 23 HE1 TRP 23 -22.792 5.889 -16.163 185 HE3 TRP 23 HE3 TRP 23 -18.557 3.396 -14.151 186 HZ2 TRP 23 HZ2 TRP 23 -22.182 3.475 -17.517 187 HZ3 TRP 23 HZ3 TRP 23 -18.759 1.600 -15.796 188 HH2 TRP 23 HH2 TRP 23 -20.555 1.630 -17.471 189 H HIS 24 HN HIS 24 -17.917 3.216 -10.938 190 HA HIS 24 HA HIS 24 -15.932 5.061 -9.805 191 1HB HIS 24 HB2 HIS 24 -17.540 4.330 -8.007 192 2HB HIS 24 HB1 HIS 24 -17.046 2.666 -8.313 193 HD1 HIS 24 HD1 HIS 24 -15.782 5.886 -6.850 194 HD2 HIS 24 HD2 HIS 24 -14.558 1.955 -7.275 195 HE1 HIS 24 HE1 HIS 24 -13.785 5.659 -5.346 196 H ASN 25 HN ASN 25 -13.893 4.401 -10.229 197 HA ASN 25 HA ASN 25 -13.376 2.172 -11.948 198 1HB ASN 25 HB2 ASN 25 -12.068 4.294 -11.948 199 2HB ASN 25 HB1 ASN 25 -11.418 3.869 -10.369 200 1HD2 ASN 25 HD22 ASN 25 -8.852 1.944 -11.711 201 2HD2 ASN 25 HD21 ASN 25 -9.527 2.833 -10.376 202 H VAL 26 HN VAL 26 -13.310 0.108 -11.312 203 HA VAL 26 HA VAL 26 -12.127 -0.582 -8.690 204 HB VAL 26 HB VAL 26 -14.713 -0.552 -8.816 205 1HG1 VAL 26 HG12 VAL 26 -14.724 -1.838 -11.016 206 2HG1 VAL 26 HG11 VAL 26 -14.345 -3.268 -10.053 207 3HG1 VAL 26 HG13 VAL 26 -15.840 -2.382 -9.762 208 1HG2 VAL 26 HG22 VAL 26 -13.189 -1.664 -7.081 209 2HG2 VAL 26 HG21 VAL 26 -14.869 -2.190 -7.179 210 3HG2 VAL 26 HG23 VAL 26 -13.597 -3.179 -7.898 211 H TYR 27 HN TYR 27 -11.384 -2.797 -8.556 212 HA TYR 27 HA TYR 27 -10.388 -3.815 -11.149 213 1HB TYR 27 HB2 TYR 27 -8.821 -3.127 -9.239 214 2HB TYR 27 HB1 TYR 27 -9.377 -4.572 -8.411 215 HD1 TYR 27 HD1 TYR 27 -7.618 -3.333 -11.410 216 HD2 TYR 27 HD2 TYR 27 -8.560 -6.731 -9.007 217 HE1 TYR 27 HE1 TYR 27 -5.932 -4.654 -12.621 218 HE2 TYR 27 HE2 TYR 27 -6.876 -8.048 -10.225 219 HH TYR 27 HH TYR 27 -5.328 -8.066 -11.801 220 H CYS 28 HN CYS 28 -11.245 -5.650 -11.908 221 HA CYS 28 HA CYS 28 -12.757 -7.404 -10.047 222 1HB CYS 28 HB2 CYS 28 -13.202 -7.244 -13.024 223 2HB CYS 28 HB1 CYS 28 -14.261 -7.907 -11.785 224 HG CYS 28 HG CYS 28 -13.797 -4.896 -11.522 225 H VAL 29 HN VAL 29 -12.356 -9.571 -10.067 226 HA VAL 29 HA VAL 29 -10.400 -10.682 -11.986 227 HB VAL 29 HB VAL 29 -10.305 -10.989 -8.974 228 1HG1 VAL 29 HG11 VAL 29 -9.149 -12.578 -11.152 229 2HG1 VAL 29 HG13 VAL 29 -7.974 -12.045 -9.948 230 3HG1 VAL 29 HG12 VAL 29 -9.383 -12.979 -9.451 231 1HG2 VAL 29 HG23 VAL 29 -8.685 -9.395 -10.922 232 2HG2 VAL 29 HG22 VAL 29 -9.321 -8.935 -9.341 233 3HG2 VAL 29 HG21 VAL 29 -7.934 -10.019 -9.451 234 H ILE 30 HN ILE 30 -11.345 -12.374 -12.937 235 HA ILE 30 HA ILE 30 -13.573 -13.786 -11.662 236 HB ILE 30 HB ILE 30 -12.335 -14.307 -14.373 237 1HG1 ILE 30 HG12 ILE 30 -14.637 -12.461 -13.683 238 2HG1 ILE 30 HG11 ILE 30 -13.042 -11.955 -14.229 239 1HG2 ILE 30 HG22 ILE 30 -14.892 -15.124 -13.027 240 2HG2 ILE 30 HG21 ILE 30 -14.763 -15.093 -14.785 241 3HG2 ILE 30 HG23 ILE 30 -13.695 -16.133 -13.840 242 1HD1 ILE 30 HD13 ILE 30 -14.850 -13.743 -15.857 243 2HD1 ILE 30 HD12 ILE 30 -14.817 -11.985 -16.016 244 3HD1 ILE 30 HD11 ILE 30 -13.373 -12.931 -16.385 245 H ASN 31 HN ASN 31 -13.224 -15.529 -10.450 246 HA ASN 31 HA ASN 31 -10.924 -17.289 -11.036 247 1HB ASN 31 HB2 ASN 31 -10.449 -15.628 -9.156 248 2HB ASN 31 HB1 ASN 31 -11.683 -16.465 -8.221 249 1HD2 ASN 31 HD22 ASN 31 -8.182 -18.436 -9.137 250 2HD2 ASN 31 HD21 ASN 31 -8.806 -17.204 -10.198 251 H ASN 32 HN ASN 32 -12.303 -18.774 -11.938 252 HA ASN 32 HA ASN 32 -13.617 -20.631 -12.027 253 1HB ASN 32 HB2 ASN 32 -12.151 -21.307 -10.121 254 2HB ASN 32 HB1 ASN 32 -13.354 -20.674 -9.005 255 1HD2 ASN 32 HD22 ASN 32 -15.237 -23.596 -9.027 256 2HD2 ASN 32 HD21 ASN 32 -14.757 -22.118 -8.248 257 H GLN 33 HN GLN 33 -15.361 -19.234 -12.773 258 HA GLN 33 HA GLN 33 -17.569 -18.688 -12.899 259 1HB GLN 33 HB2 GLN 33 -17.826 -20.358 -10.391 260 2HB GLN 33 HB1 GLN 33 -19.175 -19.710 -11.312 261 1HG GLN 33 HG2 GLN 33 -18.303 -20.944 -13.323 262 2HG GLN 33 HG1 GLN 33 -17.109 -21.704 -12.271 263 1HE2 GLN 33 HE22 GLN 33 -21.089 -22.622 -11.759 264 2HE2 GLN 33 HE21 GLN 33 -20.613 -21.074 -12.397 265 H GLU 34 HN GLU 34 -16.030 -18.051 -9.790 266 HA GLU 34 HA GLU 34 -17.953 -15.900 -9.210 267 1HB GLU 34 HB2 GLU 34 -15.716 -16.994 -7.489 268 2HB GLU 34 HB1 GLU 34 -16.985 -15.880 -6.979 269 1HG GLU 34 HG2 GLU 34 -18.681 -17.628 -7.432 270 2HG GLU 34 HG1 GLU 34 -17.401 -18.739 -7.909 271 H MET 35 HN MET 35 -17.390 -13.779 -9.096 272 HA MET 35 HA MET 35 -14.665 -13.058 -9.986 273 1HB MET 35 HB2 MET 35 -15.555 -11.129 -11.057 274 2HB MET 35 HB1 MET 35 -16.547 -12.490 -11.563 275 1HG MET 35 HG2 MET 35 -18.217 -11.865 -9.835 276 2HG MET 35 HG1 MET 35 -17.257 -10.445 -9.459 277 1HE MET 35 HE1 MET 35 -16.514 -8.784 -11.148 278 2HE MET 35 HE3 MET 35 -16.524 -9.394 -12.810 279 3HE MET 35 HE2 MET 35 -17.623 -8.102 -12.336 280 H GLY 36 HN GLY 36 -13.500 -11.749 -8.722 281 1HA GLY 36 HA2 GLY 36 -14.675 -10.885 -6.150 282 2HA GLY 36 HA1 GLY 36 -12.978 -11.219 -6.446 283 H PHE 37 HN PHE 37 -15.024 -8.789 -5.833 284 HA PHE 37 HA PHE 37 -13.869 -6.775 -7.638 285 1HB PHE 37 HB2 PHE 37 -15.987 -6.598 -5.485 286 2HB PHE 37 HB1 PHE 37 -15.415 -5.225 -6.420 287 HD1 PHE 37 HD1 PHE 37 -15.384 -5.758 -9.098 288 HD2 PHE 37 HD2 PHE 37 -17.981 -7.521 -6.189 289 HE1 PHE 37 HE1 PHE 37 -17.016 -6.289 -10.869 290 HE2 PHE 37 HE2 PHE 37 -19.608 -8.037 -7.962 291 HZ PHE 37 HZ PHE 37 -19.127 -7.396 -10.311 292 H TYR 38 HN TYR 38 -11.862 -6.223 -7.087 293 HA TYR 38 HA TYR 38 -11.231 -5.605 -4.246 294 1HB TYR 38 HB2 TYR 38 -9.298 -6.414 -6.437 295 2HB TYR 38 HB1 TYR 38 -8.932 -6.179 -4.733 296 HD1 TYR 38 HD1 TYR 38 -9.915 -7.772 -3.034 297 HD2 TYR 38 HD2 TYR 38 -10.078 -8.493 -7.233 298 HE1 TYR 38 HE1 TYR 38 -10.403 -10.150 -2.613 299 HE2 TYR 38 HE2 TYR 38 -10.555 -10.864 -6.814 300 HH TYR 38 HH TYR 38 -11.503 -12.266 -5.038 301 H LYS 39 HN LYS 39 -8.974 -4.226 -4.461 302 HA LYS 39 HA LYS 39 -9.804 -1.658 -5.573 303 1HB LYS 39 HB2 LYS 39 -8.671 -2.219 -3.241 304 2HB LYS 39 HB1 LYS 39 -7.190 -2.048 -4.170 305 1HG LYS 39 HG2 LYS 39 -7.686 0.190 -4.734 306 2HG LYS 39 HG1 LYS 39 -9.354 0.045 -4.196 307 1HD LYS 39 HD2 LYS 39 -8.539 1.060 -2.328 308 2HD LYS 39 HD1 LYS 39 -8.083 -0.584 -1.898 309 1HE LYS 39 HE2 LYS 39 -6.084 0.539 -1.561 310 2HE LYS 39 HE1 LYS 39 -5.890 -0.023 -3.217 311 1HZ LYS 39 HZ2 LYS 39 -7.149 2.394 -3.464 312 2HZ LYS 39 HZ1 LYS 39 -6.014 2.633 -2.208 313 3HZ LYS 39 HZ3 LYS 39 -5.490 2.074 -3.727 314 H ASP 40 HN ASP 40 -7.186 -4.003 -5.968 315 HA ASP 40 HA ASP 40 -6.704 -3.280 -8.688 316 1HB ASP 40 HB2 ASP 40 -4.480 -2.417 -8.539 317 2HB ASP 40 HB1 ASP 40 -5.477 -1.445 -7.465 318 H ALA 41 HN ALA 41 -4.313 -4.388 -9.204 319 HA ALA 41 HA ALA 41 -4.777 -7.171 -9.036 320 1HB ALA 41 HB2 ALA 41 -3.410 -6.133 -10.793 321 2HB ALA 41 HB1 ALA 41 -2.174 -5.740 -9.597 322 3HB ALA 41 HB3 ALA 41 -2.536 -7.426 -9.970 323 H LYS 42 HN LYS 42 -2.699 -5.057 -7.088 324 HA LYS 42 HA LYS 42 -1.397 -7.078 -5.575 325 1HB LYS 42 HB2 LYS 42 -2.009 -4.234 -4.730 326 2HB LYS 42 HB1 LYS 42 -0.771 -5.290 -4.054 327 1HG LYS 42 HG2 LYS 42 0.200 -5.393 -6.426 328 2HG LYS 42 HG1 LYS 42 -0.851 -4.032 -6.794 329 1HD LYS 42 HD2 LYS 42 1.160 -4.044 -4.533 330 2HD LYS 42 HD1 LYS 42 1.497 -3.398 -6.135 331 1HE LYS 42 HE2 LYS 42 -0.710 -2.434 -4.297 332 2HE LYS 42 HE1 LYS 42 0.837 -1.633 -4.519 333 1HZ LYS 42 HZ3 LYS 42 0.090 -1.740 -7.028 334 2HZ LYS 42 HZ2 LYS 42 -1.462 -1.789 -6.322 335 3HZ LYS 42 HZ1 LYS 42 -0.411 -0.481 -5.997 336 H SER 43 HN SER 43 -4.327 -5.158 -4.989 337 HA SER 43 HA SER 43 -4.974 -6.230 -2.434 338 1HB SER 43 HB2 SER 43 -6.867 -5.081 -4.492 339 2HB SER 43 HB1 SER 43 -7.142 -5.200 -2.754 340 HG SER 43 HG SER 43 -5.229 -3.588 -4.131 341 H ALA 44 HN ALA 44 -5.681 -7.284 -5.717 342 HA ALA 44 HA ALA 44 -7.645 -9.251 -5.032 343 1HB ALA 44 HB2 ALA 44 -5.917 -8.987 -7.506 344 2HB ALA 44 HB1 ALA 44 -7.307 -10.062 -7.338 345 3HB ALA 44 HB3 ALA 44 -7.535 -8.314 -7.285 346 H ALA 45 HN ALA 45 -4.159 -9.344 -5.646 347 HA ALA 45 HA ALA 45 -3.856 -12.171 -5.378 348 1HB ALA 45 HB1 ALA 45 -1.821 -9.944 -5.071 349 2HB ALA 45 HB3 ALA 45 -1.442 -11.662 -5.220 350 3HB ALA 45 HB2 ALA 45 -2.208 -10.809 -6.561 351 H SER 46 HN SER 46 -3.615 -9.459 -3.107 352 HA SER 46 HA SER 46 -2.711 -11.095 -0.895 353 1HB SER 46 HB2 SER 46 -2.361 -8.522 -1.386 354 2HB SER 46 HB1 SER 46 -3.888 -8.365 -0.523 355 HG SER 46 HG SER 46 -2.971 -9.169 1.304 356 H GLY 47 HN GLY 47 -5.801 -9.801 -2.022 357 1HA GLY 47 HA2 GLY 47 -7.914 -10.759 -1.593 358 2HA GLY 47 HA1 GLY 47 -7.245 -11.584 -0.189 359 H ILE 48 HN ILE 48 -7.439 -8.191 -1.265 360 HA ILE 48 HA ILE 48 -8.426 -7.398 1.417 361 HB ILE 48 HB ILE 48 -7.001 -5.798 -0.720 362 1HG1 ILE 48 HG12 ILE 48 -6.047 -6.545 2.049 363 2HG1 ILE 48 HG11 ILE 48 -5.614 -7.433 0.592 364 1HG2 ILE 48 HG23 ILE 48 -8.263 -4.989 1.878 365 2HG2 ILE 48 HG22 ILE 48 -6.884 -4.097 1.234 366 3HG2 ILE 48 HG21 ILE 48 -8.374 -4.215 0.297 367 1HD1 ILE 48 HD13 ILE 48 -5.008 -4.853 -0.125 368 2HD1 ILE 48 HD12 ILE 48 -4.604 -4.862 1.590 369 3HD1 ILE 48 HD11 ILE 48 -3.849 -6.025 0.499 370 HA PRO 49 HA PRO 49 -12.253 -6.761 -0.918 371 1HB PRO 49 HB2 PRO 49 -13.812 -6.096 1.213 372 2HB PRO 49 HB1 PRO 49 -13.381 -7.758 0.792 373 1HG PRO 49 HG2 PRO 49 -12.221 -5.983 2.884 374 2HG PRO 49 HG1 PRO 49 -12.565 -7.719 2.945 375 1HD PRO 49 HD2 PRO 49 -10.067 -6.674 2.539 376 2HD PRO 49 HD1 PRO 49 -10.575 -8.266 1.945 377 H TYR 50 HN TYR 50 -12.944 -4.975 -1.952 378 HA TYR 50 HA TYR 50 -12.359 -2.311 -0.782 379 1HB TYR 50 HB2 TYR 50 -11.046 -2.999 -2.828 380 2HB TYR 50 HB1 TYR 50 -12.565 -2.980 -3.719 381 HD1 TYR 50 HD1 TYR 50 -10.834 -0.727 -1.270 382 HD2 TYR 50 HD2 TYR 50 -12.900 -1.087 -4.991 383 HE1 TYR 50 HE1 TYR 50 -10.627 1.700 -1.624 384 HE2 TYR 50 HE2 TYR 50 -12.680 1.337 -5.344 385 HH TYR 50 HH TYR 50 -12.373 3.444 -3.444 386 H HIS 51 HN HIS 51 -14.913 -4.112 -0.806 387 HA HIS 51 HA HIS 51 -16.781 -1.944 -1.068 388 1HB HIS 51 HB2 HIS 51 -16.305 -3.443 -3.416 389 2HB HIS 51 HB1 HIS 51 -17.800 -4.091 -2.762 390 HD1 HIS 51 HD1 HIS 51 -19.838 -2.886 -3.393 391 HD2 HIS 51 HD2 HIS 51 -16.498 -0.453 -3.675 392 HE1 HIS 51 HE1 HIS 51 -20.692 -0.711 -4.304 393 H SER 52 HN SER 52 -19.123 -2.947 -0.836 394 HA SER 52 HA SER 52 -19.191 -4.427 1.610 395 1HB SER 52 HB2 SER 52 -21.751 -4.627 0.659 396 2HB SER 52 HB1 SER 52 -21.129 -3.237 1.542 397 HG SER 52 HG SER 52 -21.994 -3.380 -1.018 398 H GLU 53 HN GLU 53 -19.916 -5.176 -1.770 399 HA GLU 53 HA GLU 53 -19.914 -8.062 -1.183 400 1HB GLU 53 HB2 GLU 53 -21.143 -8.388 -3.139 401 2HB GLU 53 HB1 GLU 53 -21.826 -6.910 -2.489 402 1HG GLU 53 HG2 GLU 53 -19.633 -6.712 -4.537 403 2HG GLU 53 HG1 GLU 53 -21.257 -7.119 -5.040 404 H VAL 54 HN VAL 54 -18.416 -9.399 -2.238 405 HA VAL 54 HA VAL 54 -16.433 -8.116 -3.979 406 HB VAL 54 HB VAL 54 -15.750 -9.524 -1.397 407 1HG1 VAL 54 HG13 VAL 54 -13.986 -8.847 -3.755 408 2HG1 VAL 54 HG12 VAL 54 -13.350 -9.114 -2.132 409 3HG1 VAL 54 HG11 VAL 54 -14.186 -10.417 -2.976 410 1HG2 VAL 54 HG21 VAL 54 -15.345 -6.750 -2.471 411 2HG2 VAL 54 HG23 VAL 54 -16.161 -7.250 -0.988 412 3HG2 VAL 54 HG22 VAL 54 -14.411 -7.383 -1.117 413 HA PRO 55 HA PRO 55 -16.136 -12.770 -4.952 414 1HB PRO 55 HB2 PRO 55 -17.131 -14.656 -3.268 415 2HB PRO 55 HB1 PRO 55 -15.493 -14.007 -3.123 416 1HG PRO 55 HG2 PRO 55 -17.945 -13.320 -1.558 417 2HG PRO 55 HG1 PRO 55 -16.274 -13.514 -1.002 418 1HD PRO 55 HD2 PRO 55 -17.443 -11.076 -1.447 419 2HD PRO 55 HD1 PRO 55 -15.703 -11.391 -1.574 420 H VAL 56 HN VAL 56 -17.780 -11.970 -6.415 421 HA VAL 56 HA VAL 56 -20.574 -12.715 -5.800 422 HB VAL 56 HB VAL 56 -19.402 -10.924 -7.934 423 1HG1 VAL 56 HG12 VAL 56 -22.146 -12.011 -7.535 424 2HG1 VAL 56 HG11 VAL 56 -21.998 -10.321 -8.016 425 3HG1 VAL 56 HG13 VAL 56 -21.300 -11.587 -9.025 426 1HG2 VAL 56 HG21 VAL 56 -20.692 -10.456 -5.278 427 2HG2 VAL 56 HG23 VAL 56 -19.294 -9.663 -6.008 428 3HG2 VAL 56 HG22 VAL 56 -20.924 -9.274 -6.565 429 H SER 57 HN SER 57 -21.508 -14.393 -6.748 430 HA SER 57 HA SER 57 -20.034 -16.099 -8.544 431 1HB SER 57 HB2 SER 57 -22.846 -16.697 -7.954 432 2HB SER 57 HB1 SER 57 -21.427 -17.710 -7.816 433 HG SER 57 HG SER 57 -22.301 -15.723 -5.972 434 H LEU 58 HN LEU 58 -20.134 -15.976 -10.717 435 HA LEU 58 HA LEU 58 -22.181 -14.347 -12.028 436 1HB LEU 58 HB2 LEU 58 -19.751 -15.805 -13.096 437 2HB LEU 58 HB1 LEU 58 -20.855 -14.872 -14.100 438 HG LEU 58 HG LEU 58 -19.363 -13.729 -11.736 439 1HD1 LEU 58 HD23 LEU 58 -18.648 -13.762 -14.674 440 2HD1 LEU 58 HD22 LEU 58 -17.966 -12.607 -13.527 441 3HD1 LEU 58 HD21 LEU 58 -17.681 -14.335 -13.309 442 1HD2 LEU 58 HD11 LEU 58 -21.354 -12.689 -13.641 443 2HD2 LEU 58 HD13 LEU 58 -20.928 -12.132 -12.021 444 3HD2 LEU 58 HD12 LEU 58 -19.944 -11.660 -13.409 445 H LYS 59 HN LYS 59 -23.450 -16.394 -10.874 446 HA LYS 59 HA LYS 59 -23.716 -18.683 -12.626 447 1HB LYS 59 HB2 LYS 59 -24.358 -18.091 -9.942 448 2HB LYS 59 HB1 LYS 59 -25.896 -18.380 -10.743 449 1HG LYS 59 HG2 LYS 59 -23.513 -20.236 -10.913 450 2HG LYS 59 HG1 LYS 59 -24.842 -20.427 -9.774 451 1HD LYS 59 HD2 LYS 59 -26.429 -20.612 -11.654 452 2HD LYS 59 HD1 LYS 59 -25.095 -20.440 -12.788 453 1HE LYS 59 HE2 LYS 59 -24.200 -22.496 -11.232 454 2HE LYS 59 HE1 LYS 59 -25.936 -22.783 -11.205 455 1HZ LYS 59 HZ2 LYS 59 -25.225 -22.189 -13.837 456 2HZ LYS 59 HZ1 LYS 59 -24.094 -23.326 -13.260 457 3HZ LYS 59 HZ3 LYS 59 -25.753 -23.679 -13.197 458 H GLU 60 HN GLU 60 -24.661 -18.419 -14.535 459 HA GLU 60 HA GLU 60 -26.116 -17.831 -16.192 460 1HB GLU 60 HB2 GLU 60 -28.139 -17.274 -14.009 461 2HB GLU 60 HB1 GLU 60 -28.461 -17.679 -15.691 462 1HG GLU 60 HG2 GLU 60 -26.989 -19.598 -13.882 463 2HG GLU 60 HG1 GLU 60 -28.747 -19.532 -13.916 464 H ALA 61 HN ALA 61 -24.342 -15.905 -15.357 465 HA ALA 61 HA ALA 61 -25.603 -13.356 -14.921 466 1HB ALA 61 HB1 ALA 61 -23.308 -13.897 -14.134 467 2HB ALA 61 HB3 ALA 61 -22.770 -13.972 -15.816 468 3HB ALA 61 HB2 ALA 61 -23.359 -12.450 -15.140 469 H ILE 62 HN ILE 62 -26.801 -12.453 -16.482 470 HA ILE 62 HA ILE 62 -26.285 -12.939 -19.304 471 HB ILE 62 HB ILE 62 -28.285 -11.107 -17.962 472 1HG1 ILE 62 HG12 ILE 62 -28.763 -13.848 -19.150 473 2HG1 ILE 62 HG11 ILE 62 -28.541 -13.557 -17.431 474 1HG2 ILE 62 HG22 ILE 62 -27.675 -11.776 -20.792 475 2HG2 ILE 62 HG21 ILE 62 -29.380 -11.659 -20.339 476 3HG2 ILE 62 HG23 ILE 62 -28.304 -10.285 -20.089 477 1HD1 ILE 62 HD11 ILE 62 -30.488 -11.922 -17.570 478 2HD1 ILE 62 HD13 ILE 62 -30.783 -12.557 -19.192 479 3HD1 ILE 62 HD12 ILE 62 -30.894 -13.624 -17.791 480 H CYS 63 HN CYS 63 -25.190 -11.626 -20.621 481 HA CYS 63 HA CYS 63 -24.318 -8.978 -19.603 482 1HB CYS 63 HB2 CYS 63 -22.636 -10.975 -19.790 483 2HB CYS 63 HB1 CYS 63 -22.666 -10.600 -21.505 484 HG CYS 63 HG CYS 63 -21.038 -9.150 -19.535 485 H GLU 64 HN GLU 64 -25.235 -7.411 -20.728 486 HA GLU 64 HA GLU 64 -25.867 -7.810 -23.600 487 1HB GLU 64 HB2 GLU 64 -26.976 -5.737 -21.690 488 2HB GLU 64 HB1 GLU 64 -27.484 -6.013 -23.354 489 1HG GLU 64 HG2 GLU 64 -28.312 -8.233 -22.769 490 2HG GLU 64 HG1 GLU 64 -27.737 -8.037 -21.112 491 H VAL 65 HN VAL 65 -25.318 -6.134 -25.066 492 HA VAL 65 HA VAL 65 -22.903 -4.655 -24.300 493 HB VAL 65 HB VAL 65 -24.234 -4.861 -27.012 494 1HG1 VAL 65 HG11 VAL 65 -21.621 -3.789 -26.018 495 2HG1 VAL 65 HG13 VAL 65 -21.706 -4.502 -27.632 496 3HG1 VAL 65 HG12 VAL 65 -22.728 -3.126 -27.223 497 1HG2 VAL 65 HG22 VAL 65 -23.660 -7.105 -26.119 498 2HG2 VAL 65 HG21 VAL 65 -22.702 -6.664 -27.534 499 3HG2 VAL 65 HG23 VAL 65 -21.989 -6.570 -25.922 500 H ALA 66 HN ALA 66 -22.727 -2.472 -24.269 501 HA ALA 66 HA ALA 66 -25.062 -0.773 -24.905 502 1HB ALA 66 HB1 ALA 66 -23.386 -0.631 -22.378 503 2HB ALA 66 HB3 ALA 66 -24.572 0.577 -22.872 504 3HB ALA 66 HB2 ALA 66 -25.090 -1.062 -22.481 505 H LEU 67 HN LEU 67 -23.728 -0.616 -26.861 506 HA LEU 67 HA LEU 67 -21.133 0.593 -26.833 507 1HB LEU 67 HB2 LEU 67 -22.723 -0.709 -28.710 508 2HB LEU 67 HB1 LEU 67 -22.637 0.939 -29.317 509 HG LEU 67 HG LEU 67 -20.047 0.561 -28.678 510 1HD1 LEU 67 HD13 LEU 67 -20.655 -1.818 -27.986 511 2HD1 LEU 67 HD12 LEU 67 -20.880 -2.142 -29.710 512 3HD1 LEU 67 HD11 LEU 67 -19.301 -1.637 -29.104 513 1HD2 LEU 67 HD23 LEU 67 -21.057 1.262 -30.874 514 2HD2 LEU 67 HD22 LEU 67 -19.619 0.252 -31.010 515 3HD2 LEU 67 HD21 LEU 67 -21.220 -0.450 -31.269 516 H ASP 68 HN ASP 68 -24.295 1.912 -26.530 517 HA ASP 68 HA ASP 68 -23.198 4.651 -26.813 518 1HB ASP 68 HB2 ASP 68 -24.445 4.092 -28.881 519 2HB ASP 68 HB1 ASP 68 -25.865 3.705 -27.916 520 H TYR 69 HN TYR 69 -23.058 4.403 -24.462 521 HA TYR 69 HA TYR 69 -25.669 4.661 -23.097 522 1HB TYR 69 HB2 TYR 69 -24.298 2.716 -22.389 523 2HB TYR 69 HB1 TYR 69 -23.029 3.826 -21.882 524 HD1 TYR 69 HD1 TYR 69 -26.748 3.630 -21.462 525 HD2 TYR 69 HD2 TYR 69 -22.942 4.116 -19.586 526 HE1 TYR 69 HE1 TYR 69 -27.857 3.927 -19.287 527 HE2 TYR 69 HE2 TYR 69 -24.062 4.408 -17.410 528 HH TYR 69 HH TYR 69 -27.424 3.781 -16.956 529 H LYS 70 HN LYS 70 -25.520 6.876 -23.963 530 HA LYS 70 HA LYS 70 -25.291 9.114 -23.704 531 1HB LYS 70 HB2 LYS 70 -24.806 8.310 -20.828 532 2HB LYS 70 HB1 LYS 70 -25.129 9.952 -21.378 533 1HG LYS 70 HG2 LYS 70 -27.300 9.459 -21.043 534 2HG LYS 70 HG1 LYS 70 -27.184 8.537 -22.535 535 1HD LYS 70 HD2 LYS 70 -26.668 6.513 -21.252 536 2HD LYS 70 HD1 LYS 70 -26.723 7.441 -19.757 537 1HE LYS 70 HE2 LYS 70 -28.819 6.268 -20.012 538 2HE LYS 70 HE1 LYS 70 -29.099 7.991 -20.240 539 1HZ LYS 70 HZ3 LYS 70 -28.575 6.302 -22.587 540 2HZ LYS 70 HZ2 LYS 70 -30.111 6.271 -21.863 541 3HZ LYS 70 HZ1 LYS 70 -29.483 7.742 -22.468 542 H LYS 71 HN LYS 71 -23.180 9.368 -21.121 543 HA LYS 71 HA LYS 71 -21.116 10.553 -22.746 544 1HB LYS 71 HB2 LYS 71 -21.240 10.113 -19.754 545 2HB LYS 71 HB1 LYS 71 -20.067 11.121 -20.600 546 1HG LYS 71 HG2 LYS 71 -21.710 12.698 -21.241 547 2HG LYS 71 HG1 LYS 71 -23.036 11.609 -20.866 548 1HD LYS 71 HD2 LYS 71 -21.151 12.504 -18.703 549 2HD LYS 71 HD1 LYS 71 -22.469 13.552 -19.223 550 1HE LYS 71 HE2 LYS 71 -23.946 12.388 -18.000 551 2HE LYS 71 HE1 LYS 71 -23.498 10.894 -18.816 552 1HZ LYS 71 HZ1 LYS 71 -21.626 10.686 -17.256 553 2HZ LYS 71 HZ3 LYS 71 -22.182 12.062 -16.427 554 3HZ LYS 71 HZ2 LYS 71 -23.153 10.659 -16.483 555 H LYS 72 HN LYS 72 -21.631 7.377 -21.733 556 HA LYS 72 HA LYS 72 -18.769 6.712 -21.558 557 1HB LYS 72 HB2 LYS 72 -21.182 4.917 -21.244 558 2HB LYS 72 HB1 LYS 72 -19.509 4.501 -20.884 559 1HG LYS 72 HG2 LYS 72 -21.273 6.499 -19.444 560 2HG LYS 72 HG1 LYS 72 -20.573 5.016 -18.800 561 1HD LYS 72 HD2 LYS 72 -18.290 6.195 -19.436 562 2HD LYS 72 HD1 LYS 72 -19.266 7.656 -19.331 563 1HE LYS 72 HE2 LYS 72 -19.986 6.888 -17.031 564 2HE LYS 72 HE1 LYS 72 -18.794 5.596 -17.164 565 1HZ LYS 72 HZ2 LYS 72 -18.006 8.415 -17.556 566 2HZ LYS 72 HZ1 LYS 72 -18.138 7.765 -15.986 567 3HZ LYS 72 HZ3 LYS 72 -17.042 7.086 -17.098 568 H LYS 73 HN LYS 73 -17.692 5.562 -23.086 569 HA LYS 73 HA LYS 73 -18.829 5.514 -25.745 570 1HB LYS 73 HB2 LYS 73 -16.082 4.757 -24.738 571 2HB LYS 73 HB1 LYS 73 -16.550 4.865 -26.435 572 1HG LYS 73 HG2 LYS 73 -17.153 7.264 -26.057 573 2HG LYS 73 HG1 LYS 73 -16.520 7.124 -24.420 574 1HD LYS 73 HD2 LYS 73 -14.334 7.020 -25.120 575 2HD LYS 73 HD1 LYS 73 -14.749 6.275 -26.664 576 1HE LYS 73 HE2 LYS 73 -15.442 8.345 -27.599 577 2HE LYS 73 HE1 LYS 73 -15.481 9.135 -26.026 578 1HZ LYS 73 HZ3 LYS 73 -13.021 8.159 -27.375 579 2HZ LYS 73 HZ2 LYS 73 -13.564 9.775 -27.361 580 3HZ LYS 73 HZ1 LYS 73 -13.102 9.009 -25.904 581 H HIS 74 HN HIS 74 -17.087 3.006 -23.862 582 HA HIS 74 HA HIS 74 -18.779 0.965 -25.204 583 1HB HIS 74 HB2 HIS 74 -15.819 1.036 -24.682 584 2HB HIS 74 HB1 HIS 74 -16.657 -0.506 -24.822 585 HD1 HIS 74 HD1 HIS 74 -14.955 1.892 -26.835 586 HD2 HIS 74 HD2 HIS 74 -18.241 -0.560 -27.421 587 HE1 HIS 74 HE1 HIS 74 -15.286 1.825 -29.312 588 H VAL 75 HN VAL 75 -20.198 0.383 -23.744 589 HA VAL 75 HA VAL 75 -19.287 -0.496 -21.070 590 HB VAL 75 HB VAL 75 -21.817 0.993 -21.811 591 1HG1 VAL 75 HG11 VAL 75 -20.989 -0.276 -19.217 592 2HG1 VAL 75 HG13 VAL 75 -22.151 1.047 -19.284 593 3HG1 VAL 75 HG12 VAL 75 -22.498 -0.478 -20.105 594 1HG2 VAL 75 HG23 VAL 75 -19.842 2.437 -21.687 595 2HG2 VAL 75 HG22 VAL 75 -20.971 2.768 -20.372 596 3HG2 VAL 75 HG21 VAL 75 -19.509 1.834 -20.064 597 H PHE 76 HN PHE 76 -20.657 -2.162 -20.119 598 HA PHE 76 HA PHE 76 -22.519 -3.540 -21.900 599 1HB PHE 76 HB2 PHE 76 -21.555 -5.750 -21.463 600 2HB PHE 76 HB1 PHE 76 -20.463 -4.722 -22.370 601 HD1 PHE 76 HD2 PHE 76 -21.055 -6.411 -19.183 602 HD2 PHE 76 HD1 PHE 76 -18.377 -3.968 -21.425 603 HE1 PHE 76 HE2 PHE 76 -19.255 -6.948 -17.595 604 HE2 PHE 76 HE1 PHE 76 -16.560 -4.500 -19.833 605 HZ PHE 76 HZ PHE 76 -16.992 -5.991 -17.927 606 H LYS 77 HN LYS 77 -24.163 -4.450 -20.849 607 HA LYS 77 HA LYS 77 -24.454 -3.763 -18.014 608 1HB LYS 77 HB2 LYS 77 -26.141 -3.135 -19.814 609 2HB LYS 77 HB1 LYS 77 -26.557 -4.842 -19.881 610 1HG LYS 77 HG2 LYS 77 -27.623 -4.823 -17.874 611 2HG LYS 77 HG1 LYS 77 -26.517 -3.650 -17.176 612 1HD LYS 77 HD2 LYS 77 -28.554 -2.493 -17.325 613 2HD LYS 77 HD1 LYS 77 -27.651 -1.931 -18.728 614 1HE LYS 77 HE2 LYS 77 -29.800 -2.388 -19.560 615 2HE LYS 77 HE1 LYS 77 -28.845 -3.786 -20.036 616 1HZ LYS 77 HZ3 LYS 77 -30.541 -3.695 -17.599 617 2HZ LYS 77 HZ2 LYS 77 -31.059 -4.323 -19.102 618 3HZ LYS 77 HZ1 LYS 77 -29.771 -5.058 -18.273 619 H LEU 78 HN LEU 78 -23.835 -5.242 -16.637 620 HA LEU 78 HA LEU 78 -24.123 -8.106 -17.197 621 1HB LEU 78 HB2 LEU 78 -22.258 -6.505 -15.711 622 2HB LEU 78 HB1 LEU 78 -23.013 -7.648 -14.612 623 HG LEU 78 HG LEU 78 -21.587 -8.274 -17.184 624 1HD1 LEU 78 HD22 LEU 78 -20.939 -8.621 -14.276 625 2HD1 LEU 78 HD21 LEU 78 -20.215 -9.678 -15.487 626 3HD1 LEU 78 HD23 LEU 78 -19.949 -7.933 -15.563 627 1HD2 LEU 78 HD11 LEU 78 -23.639 -9.769 -15.823 628 2HD2 LEU 78 HD13 LEU 78 -22.776 -10.163 -17.306 629 3HD2 LEU 78 HD12 LEU 78 -22.112 -10.645 -15.743 630 H ARG 79 HN ARG 79 -25.982 -9.009 -16.619 631 HA ARG 79 HA ARG 79 -27.460 -7.976 -14.265 632 1HB ARG 79 HB2 ARG 79 -28.719 -7.674 -16.308 633 2HB ARG 79 HB1 ARG 79 -28.483 -9.360 -16.755 634 1HG ARG 79 HG2 ARG 79 -30.058 -10.106 -15.275 635 2HG ARG 79 HG1 ARG 79 -29.717 -8.833 -14.101 636 1HD ARG 79 HD2 ARG 79 -31.001 -7.237 -15.307 637 2HD ARG 79 HD1 ARG 79 -31.086 -8.264 -16.734 638 HE ARG 79 HE ARG 79 -33.059 -8.998 -15.818 639 1HH1 ARG 79 HH11 ARG 79 -32.683 -11.144 -14.251 640 2HH1 ARG 79 HH12 ARG 79 -32.826 -10.675 -12.571 641 1HH2 ARG 79 HH21 ARG 79 -32.355 -7.238 -13.220 642 2HH2 ARG 79 HH22 ARG 79 -32.644 -8.447 -12.001 643 H LEU 80 HN LEU 80 -27.043 -9.222 -12.587 644 HA LEU 80 HA LEU 80 -26.602 -12.113 -12.901 645 1HB LEU 80 HB2 LEU 80 -26.387 -10.519 -10.344 646 2HB LEU 80 HB1 LEU 80 -25.655 -12.072 -10.728 647 HG LEU 80 HG LEU 80 -24.930 -9.409 -11.958 648 1HD1 LEU 80 HD12 LEU 80 -24.204 -9.776 -9.589 649 2HD1 LEU 80 HD11 LEU 80 -23.280 -11.173 -10.155 650 3HD1 LEU 80 HD13 LEU 80 -22.880 -9.555 -10.735 651 1HD2 LEU 80 HD21 LEU 80 -23.899 -12.189 -12.476 652 2HD2 LEU 80 HD23 LEU 80 -24.565 -11.039 -13.640 653 3HD2 LEU 80 HD22 LEU 80 -22.994 -10.736 -12.898 654 H SER 81 HN SER 81 -28.164 -13.528 -12.435 655 HA SER 81 HA SER 81 -30.810 -12.804 -11.804 656 1HB SER 81 HB2 SER 81 -30.773 -15.440 -11.155 657 2HB SER 81 HB1 SER 81 -30.883 -14.826 -12.801 658 HG SER 81 HG SER 81 -29.120 -16.473 -12.054 659 H ASP 82 HN ASP 82 -28.085 -13.469 -9.783 660 HA ASP 82 HA ASP 82 -29.219 -14.242 -7.347 661 1HB ASP 82 HB2 ASP 82 -26.753 -14.042 -7.974 662 2HB ASP 82 HB1 ASP 82 -26.894 -12.319 -7.630 663 H GLY 83 HN GLY 83 -29.101 -11.093 -8.885 664 1HA GLY 83 HA2 GLY 83 -31.020 -9.598 -8.321 665 2HA GLY 83 HA1 GLY 83 -30.600 -9.867 -6.630 666 H ASN 84 HN ASN 84 -28.710 -9.066 -9.589 667 HA ASN 84 HA ASN 84 -27.948 -6.474 -8.508 668 1HB ASN 84 HB2 ASN 84 -26.095 -8.821 -8.487 669 2HB ASN 84 HB1 ASN 84 -25.425 -7.267 -8.970 670 1HD2 ASN 84 HD22 ASN 84 -25.738 -5.787 -5.753 671 2HD2 ASN 84 HD21 ASN 84 -25.701 -5.463 -7.450 672 H GLU 85 HN GLU 85 -27.589 -5.072 -10.104 673 HA GLU 85 HA GLU 85 -27.012 -6.049 -12.846 674 1HB GLU 85 HB2 GLU 85 -29.043 -4.066 -11.855 675 2HB GLU 85 HB1 GLU 85 -28.358 -3.883 -13.469 676 1HG GLU 85 HG2 GLU 85 -29.120 -6.123 -14.078 677 2HG GLU 85 HG1 GLU 85 -29.735 -6.379 -12.444 678 H TYR 86 HN TYR 86 -25.037 -5.345 -13.414 679 HA TYR 86 HA TYR 86 -24.071 -2.714 -12.402 680 1HB TYR 86 HB2 TYR 86 -22.430 -5.161 -13.077 681 2HB TYR 86 HB1 TYR 86 -21.804 -3.624 -12.506 682 HD1 TYR 86 HD1 TYR 86 -22.677 -2.828 -10.165 683 HD2 TYR 86 HD2 TYR 86 -22.831 -6.860 -11.571 684 HE1 TYR 86 HE1 TYR 86 -22.789 -3.640 -7.841 685 HE2 TYR 86 HE2 TYR 86 -22.933 -7.667 -9.249 686 HH TYR 86 HH TYR 86 -22.528 -5.499 -6.510 687 H LEU 87 HN LEU 87 -23.172 -1.320 -13.842 688 HA LEU 87 HA LEU 87 -23.104 -2.063 -16.714 689 1HB LEU 87 HB2 LEU 87 -23.002 0.696 -15.448 690 2HB LEU 87 HB1 LEU 87 -23.053 0.341 -17.169 691 HG LEU 87 HG LEU 87 -25.228 0.019 -15.123 692 1HD1 LEU 87 HD12 LEU 87 -24.818 2.150 -16.466 693 2HD1 LEU 87 HD11 LEU 87 -25.352 1.233 -17.876 694 3HD1 LEU 87 HD13 LEU 87 -26.447 1.478 -16.513 695 1HD2 LEU 87 HD22 LEU 87 -24.990 -1.337 -17.802 696 2HD2 LEU 87 HD21 LEU 87 -25.393 -2.052 -16.240 697 3HD2 LEU 87 HD23 LEU 87 -26.552 -1.004 -17.052 698 H PHE 88 HN PHE 88 -21.101 -2.635 -17.379 699 HA PHE 88 HA PHE 88 -18.770 -1.571 -15.909 700 1HB PHE 88 HB2 PHE 88 -19.268 -4.113 -17.391 701 2HB PHE 88 HB1 PHE 88 -17.630 -3.567 -17.060 702 HD1 PHE 88 HD1 PHE 88 -17.109 -2.968 -14.572 703 HD2 PHE 88 HD2 PHE 88 -20.377 -5.401 -15.828 704 HE1 PHE 88 HE1 PHE 88 -17.256 -3.942 -12.313 705 HE2 PHE 88 HE2 PHE 88 -20.529 -6.367 -13.579 706 HZ PHE 88 HZ PHE 88 -18.924 -5.633 -11.811 707 H GLN 89 HN GLN 89 -17.443 -0.198 -16.896 708 HA GLN 89 HA GLN 89 -17.600 0.123 -19.837 709 1HB GLN 89 HB2 GLN 89 -18.005 2.111 -18.249 710 2HB GLN 89 HB1 GLN 89 -16.276 2.042 -17.931 711 1HG GLN 89 HG2 GLN 89 -15.926 2.185 -20.449 712 2HG GLN 89 HG1 GLN 89 -17.639 2.571 -20.576 713 1HE2 GLN 89 HE22 GLN 89 -15.844 5.767 -20.459 714 2HE2 GLN 89 HE21 GLN 89 -15.964 4.385 -21.509 715 H ALA 90 HN ALA 90 -15.898 -0.357 -21.073 716 HA ALA 90 HA ALA 90 -13.414 -1.328 -19.809 717 1HB ALA 90 HB3 ALA 90 -14.607 -2.835 -21.381 718 2HB ALA 90 HB2 ALA 90 -14.387 -1.641 -22.663 719 3HB ALA 90 HB1 ALA 90 -12.983 -2.431 -21.938 720 H LYS 91 HN LYS 91 -11.364 -0.792 -20.842 721 HA LYS 91 HA LYS 91 -11.234 2.062 -21.537 722 1HB LYS 91 HB2 LYS 91 -9.046 0.046 -20.987 723 2HB LYS 91 HB1 LYS 91 -8.804 1.769 -21.254 724 1HG LYS 91 HG2 LYS 91 -8.943 1.939 -19.011 725 2HG LYS 91 HG1 LYS 91 -10.679 1.808 -19.274 726 1HD LYS 91 HD2 LYS 91 -9.980 0.263 -17.524 727 2HD LYS 91 HD1 LYS 91 -10.557 -0.624 -18.926 728 1HE LYS 91 HE2 LYS 91 -8.479 -1.557 -17.873 729 2HE LYS 91 HE1 LYS 91 -8.325 -1.196 -19.583 730 1HZ LYS 91 HZ2 LYS 91 -7.460 0.694 -17.476 731 2HZ LYS 91 HZ1 LYS 91 -6.432 -0.492 -18.135 732 3HZ LYS 91 HZ3 LYS 91 -7.070 0.724 -19.138 733 H ASP 92 HN ASP 92 -10.542 -1.094 -22.936 734 HA ASP 92 HA ASP 92 -9.920 0.187 -25.545 735 1HB ASP 92 HB2 ASP 92 -8.077 -1.171 -24.479 736 2HB ASP 92 HB1 ASP 92 -9.103 -2.589 -24.655 737 H ASP 93 HN ASP 93 -10.807 -0.714 -27.405 738 HA ASP 93 HA ASP 93 -13.504 -1.534 -27.319 739 1HB ASP 93 HB2 ASP 93 -11.395 -1.510 -29.469 740 2HB ASP 93 HB1 ASP 93 -12.987 -2.193 -29.786 741 H GLU 94 HN GLU 94 -10.515 -3.399 -27.775 742 HA GLU 94 HA GLU 94 -11.805 -5.924 -28.235 743 1HB GLU 94 HB2 GLU 94 -9.458 -5.320 -28.941 744 2HB GLU 94 HB1 GLU 94 -8.980 -5.434 -27.251 745 1HG GLU 94 HG2 GLU 94 -8.443 -7.518 -28.360 746 2HG GLU 94 HG1 GLU 94 -9.767 -7.808 -27.235 747 H GLU 95 HN GLU 95 -10.326 -4.361 -25.424 748 HA GLU 95 HA GLU 95 -10.448 -6.345 -23.490 749 1HB GLU 95 HB2 GLU 95 -9.445 -4.064 -23.253 750 2HB GLU 95 HB1 GLU 95 -11.070 -3.418 -23.050 751 1HG GLU 95 HG2 GLU 95 -11.366 -4.813 -21.043 752 2HG GLU 95 HG1 GLU 95 -9.735 -5.452 -21.249 753 H MET 96 HN MET 96 -13.024 -4.136 -24.535 754 HA MET 96 HA MET 96 -15.019 -4.824 -22.660 755 1HB MET 96 HB2 MET 96 -15.019 -2.911 -24.358 756 2HB MET 96 HB1 MET 96 -15.545 -4.095 -25.548 757 1HG MET 96 HG2 MET 96 -17.399 -4.630 -23.756 758 2HG MET 96 HG1 MET 96 -17.000 -3.024 -23.158 759 1HE MET 96 HE3 MET 96 -17.794 -5.110 -26.247 760 2HE MET 96 HE2 MET 96 -19.438 -4.826 -25.678 761 3HE MET 96 HE1 MET 96 -18.901 -4.101 -27.191 762 H ASN 97 HN ASN 97 -14.206 -6.236 -25.812 763 HA ASN 97 HA ASN 97 -16.325 -8.135 -25.896 764 1HB ASN 97 HB2 ASN 97 -14.705 -7.222 -27.774 765 2HB ASN 97 HB1 ASN 97 -13.709 -8.595 -27.302 766 1HD2 ASN 97 HD22 ASN 97 -16.053 -9.598 -30.047 767 2HD2 ASN 97 HD21 ASN 97 -14.844 -8.364 -29.846 768 H THR 98 HN THR 98 -12.976 -8.275 -24.725 769 HA THR 98 HA THR 98 -12.812 -11.048 -24.223 770 HB THR 98 HB THR 98 -11.411 -9.020 -22.510 771 HG1 THR 98 HG1 THR 98 -11.179 -9.381 -25.293 772 1HG2 THR 98 HG23 THR 98 -11.069 -11.523 -22.271 773 2HG2 THR 98 HG22 THR 98 -10.314 -11.479 -23.866 774 3HG2 THR 98 HG21 THR 98 -9.612 -10.563 -22.531 775 H TRP 99 HN TRP 99 -13.845 -8.359 -22.126 776 HA TRP 99 HA TRP 99 -14.250 -9.889 -19.771 777 1HB TRP 99 HB2 TRP 99 -15.194 -7.206 -20.727 778 2HB TRP 99 HB1 TRP 99 -15.902 -7.898 -19.272 779 HD1 TRP 99 HD1 TRP 99 -13.113 -5.746 -20.291 780 HE1 TRP 99 HE1 TRP 99 -11.380 -5.555 -18.417 781 HE3 TRP 99 HE3 TRP 99 -14.643 -9.589 -17.274 782 HZ2 TRP 99 HZ2 TRP 99 -10.728 -6.811 -16.021 783 HZ3 TRP 99 HZ3 TRP 99 -13.403 -10.036 -15.190 784 HH2 TRP 99 HH2 TRP 99 -11.464 -8.663 -14.569 785 H ILE 100 HN ILE 100 -16.573 -8.822 -22.284 786 HA ILE 100 HA ILE 100 -18.884 -10.007 -21.191 787 HB ILE 100 HB ILE 100 -18.138 -9.429 -24.063 788 1HG1 ILE 100 HG12 ILE 100 -20.015 -7.936 -22.230 789 2HG1 ILE 100 HG11 ILE 100 -18.314 -7.521 -22.401 790 1HG2 ILE 100 HG21 ILE 100 -20.648 -10.532 -22.867 791 2HG2 ILE 100 HG23 ILE 100 -20.768 -9.418 -24.228 792 3HG2 ILE 100 HG22 ILE 100 -19.870 -10.924 -24.400 793 1HD1 ILE 100 HD11 ILE 100 -19.950 -7.772 -24.889 794 2HD1 ILE 100 HD13 ILE 100 -20.182 -6.343 -23.879 795 3HD1 ILE 100 HD12 ILE 100 -18.588 -6.709 -24.542 796 H GLN 101 HN GLN 101 -16.398 -11.343 -23.342 797 HA GLN 101 HA GLN 101 -17.643 -13.850 -23.859 798 1HB GLN 101 HB2 GLN 101 -14.846 -12.782 -24.096 799 2HB GLN 101 HB1 GLN 101 -15.131 -14.513 -24.274 800 1HG GLN 101 HG2 GLN 101 -16.691 -14.128 -26.089 801 2HG GLN 101 HG1 GLN 101 -16.568 -12.382 -25.872 802 1HE2 GLN 101 HE22 GLN 101 -13.778 -12.114 -27.939 803 2HE2 GLN 101 HE21 GLN 101 -15.156 -11.384 -27.180 804 H ALA 102 HN ALA 102 -15.150 -12.882 -21.495 805 HA ALA 102 HA ALA 102 -14.794 -15.403 -20.272 806 1HB ALA 102 HB2 ALA 102 -13.217 -13.537 -20.019 807 2HB ALA 102 HB1 ALA 102 -14.411 -12.651 -19.068 808 3HB ALA 102 HB3 ALA 102 -13.730 -14.160 -18.452 809 H ILE 103 HN ILE 103 -17.016 -12.759 -19.530 810 HA ILE 103 HA ILE 103 -18.080 -13.837 -17.110 811 HB ILE 103 HB ILE 103 -18.997 -11.740 -19.066 812 1HG1 ILE 103 HG12 ILE 103 -18.380 -11.319 -16.166 813 2HG1 ILE 103 HG11 ILE 103 -17.054 -11.533 -17.307 814 1HG2 ILE 103 HG21 ILE 103 -20.484 -12.830 -16.685 815 2HG2 ILE 103 HG23 ILE 103 -20.655 -11.143 -17.173 816 3HG2 ILE 103 HG22 ILE 103 -21.092 -12.427 -18.294 817 1HD1 ILE 103 HD13 ILE 103 -19.034 -9.642 -18.300 818 2HD1 ILE 103 HD12 ILE 103 -18.364 -9.146 -16.744 819 3HD1 ILE 103 HD11 ILE 103 -17.294 -9.447 -18.107 820 H SER 104 HN SER 104 -19.140 -13.979 -20.513 821 HA SER 104 HA SER 104 -21.556 -15.413 -20.037 822 1HB SER 104 HB2 SER 104 -19.874 -15.349 -22.558 823 2HB SER 104 HB1 SER 104 -21.568 -15.828 -22.437 824 HG SER 104 HG SER 104 -20.424 -13.253 -22.124 825 H SER 105 HN SER 105 -18.219 -16.404 -20.444 826 HA SER 105 HA SER 105 -18.870 -19.250 -20.666 827 1HB SER 105 HB2 SER 105 -16.187 -17.860 -20.458 828 2HB SER 105 HB1 SER 105 -16.457 -19.555 -20.857 829 HG SER 105 HG SER 105 -17.894 -17.827 -22.447 830 H ALA 106 HN ALA 106 -19.100 -17.309 -18.117 831 HA ALA 106 HA ALA 106 -17.450 -18.643 -16.156 832 1HB ALA 106 HB3 ALA 106 -18.138 -16.285 -15.894 833 2HB ALA 106 HB2 ALA 106 -19.822 -16.795 -15.767 834 3HB ALA 106 HB1 ALA 106 -18.659 -17.274 -14.530 No H/Q in entry = 834 Start of MODEL 8 1 1H MET 1 HT1 MET 1 -8.627 -10.866 -17.858 2 2H MET 1 HT3 MET 1 -7.994 -12.440 -17.732 3 3H MET 1 HT2 MET 1 -9.232 -12.103 -18.859 4 HA MET 1 HA MET 1 -10.857 -11.913 -17.267 5 1HB MET 1 HB2 MET 1 -8.919 -14.045 -16.341 6 2HB MET 1 HB1 MET 1 -10.548 -13.876 -15.706 7 1HG MET 1 HG2 MET 1 -10.778 -15.495 -17.379 8 2HG MET 1 HG1 MET 1 -11.331 -14.015 -18.149 9 1HE MET 1 HE2 MET 1 -8.208 -15.922 -17.257 10 2HE MET 1 HE1 MET 1 -8.468 -16.973 -18.647 11 3HE MET 1 HE3 MET 1 -7.147 -15.795 -18.658 12 H GLU 2 HN GLU 2 -7.820 -10.826 -16.210 13 HA GLU 2 HA GLU 2 -8.976 -9.855 -13.656 14 1HB GLU 2 HB2 GLU 2 -6.138 -10.808 -14.118 15 2HB GLU 2 HB1 GLU 2 -6.736 -10.055 -12.645 16 1HG GLU 2 HG2 GLU 2 -7.276 -12.087 -11.887 17 2HG GLU 2 HG1 GLU 2 -8.509 -12.182 -13.141 18 H GLY 3 HN GLY 3 -8.997 -7.676 -13.625 19 1HA GLY 3 HA2 GLY 3 -6.855 -5.985 -14.187 20 2HA GLY 3 HA1 GLY 3 -7.789 -6.103 -15.676 21 H PHE 4 HN PHE 4 -7.691 -3.686 -14.856 22 HA PHE 4 HA PHE 4 -9.619 -2.881 -12.877 23 1HB PHE 4 HB2 PHE 4 -8.001 -1.444 -14.960 24 2HB PHE 4 HB1 PHE 4 -9.278 -0.604 -14.091 25 HD1 PHE 4 HD1 PHE 4 -9.198 -1.043 -11.426 26 HD2 PHE 4 HD2 PHE 4 -5.872 -1.231 -14.106 27 HE1 PHE 4 HE1 PHE 4 -7.655 -0.645 -9.547 28 HE2 PHE 4 HE2 PHE 4 -4.334 -0.828 -12.227 29 HZ PHE 4 HZ PHE 4 -5.254 -0.477 -9.933 30 H LEU 5 HN LEU 5 -11.618 -1.950 -13.185 31 HA LEU 5 HA LEU 5 -12.813 -1.794 -15.840 32 1HB LEU 5 HB2 LEU 5 -13.357 -4.000 -13.960 33 2HB LEU 5 HB1 LEU 5 -14.803 -3.158 -14.502 34 HG LEU 5 HG LEU 5 -12.710 -4.356 -16.310 35 1HD1 LEU 5 HD13 LEU 5 -15.311 -5.354 -15.239 36 2HD1 LEU 5 HD12 LEU 5 -14.809 -5.828 -16.864 37 3HD1 LEU 5 HD11 LEU 5 -13.791 -6.214 -15.477 38 1HD2 LEU 5 HD22 LEU 5 -15.151 -2.715 -16.800 39 2HD2 LEU 5 HD21 LEU 5 -13.607 -2.724 -17.654 40 3HD2 LEU 5 HD23 LEU 5 -14.777 -4.015 -17.930 41 H ASN 6 HN ASN 6 -14.592 -0.455 -15.880 42 HA ASN 6 HA ASN 6 -14.978 1.291 -13.563 43 1HB ASN 6 HB2 ASN 6 -15.038 1.697 -16.333 44 2HB ASN 6 HB1 ASN 6 -16.729 1.756 -15.862 45 1HD2 ASN 6 HD22 ASN 6 -15.871 5.218 -15.500 46 2HD2 ASN 6 HD21 ASN 6 -16.433 4.026 -16.629 47 H ARG 7 HN ARG 7 -16.699 1.114 -12.188 48 HA ARG 7 HA ARG 7 -18.861 -0.767 -12.959 49 1HB ARG 7 HB2 ARG 7 -17.159 -1.662 -11.304 50 2HB ARG 7 HB1 ARG 7 -17.772 -0.473 -10.159 51 1HG ARG 7 HG2 ARG 7 -19.961 -1.466 -10.199 52 2HG ARG 7 HG1 ARG 7 -19.532 -2.492 -11.567 53 1HD ARG 7 HD2 ARG 7 -19.419 -3.930 -9.714 54 2HD ARG 7 HD1 ARG 7 -17.738 -3.497 -10.024 55 HE ARG 7 HE ARG 7 -18.614 -1.625 -8.192 56 1HH1 ARG 7 HH11 ARG 7 -19.711 -4.802 -7.909 57 2HH1 ARG 7 HH12 ARG 7 -18.943 -5.149 -6.392 58 1HH2 ARG 7 HH21 ARG 7 -17.081 -2.166 -6.365 59 2HH2 ARG 7 HH22 ARG 7 -17.427 -3.652 -5.510 60 H LYS 8 HN LYS 8 -20.847 -0.141 -12.673 61 HA LYS 8 HA LYS 8 -21.550 2.069 -10.868 62 1HB LYS 8 HB2 LYS 8 -21.292 3.145 -13.022 63 2HB LYS 8 HB1 LYS 8 -22.252 1.906 -13.811 64 1HG LYS 8 HG2 LYS 8 -23.650 3.205 -11.581 65 2HG LYS 8 HG1 LYS 8 -23.196 4.321 -12.862 66 1HD LYS 8 HD2 LYS 8 -24.505 3.268 -14.460 67 2HD LYS 8 HD1 LYS 8 -24.505 1.732 -13.600 68 1HE LYS 8 HE2 LYS 8 -26.435 2.235 -12.589 69 2HE LYS 8 HE1 LYS 8 -25.755 3.726 -11.946 70 1HZ LYS 8 HZ1 LYS 8 -26.177 4.421 -14.480 71 2HZ LYS 8 HZ3 LYS 8 -27.454 3.305 -14.252 72 3HZ LYS 8 HZ2 LYS 8 -27.309 4.658 -13.226 73 H HIS 9 HN HIS 9 -23.065 1.231 -9.567 74 HA HIS 9 HA HIS 9 -24.555 -1.141 -10.351 75 1HB HIS 9 HB2 HIS 9 -25.410 -1.067 -8.004 76 2HB HIS 9 HB1 HIS 9 -23.672 -1.217 -8.161 77 HD1 HIS 9 HD1 HIS 9 -24.662 -0.320 -5.537 78 HD2 HIS 9 HD2 HIS 9 -23.829 2.411 -8.552 79 HE1 HIS 9 HE1 HIS 9 -24.168 1.833 -4.363 80 H GLU 10 HN GLU 10 -26.608 -1.271 -10.907 81 HA GLU 10 HA GLU 10 -28.231 1.194 -11.047 82 1HB GLU 10 HB2 GLU 10 -27.651 -0.326 -13.092 83 2HB GLU 10 HB1 GLU 10 -28.900 -1.387 -12.449 84 1HG GLU 10 HG2 GLU 10 -30.520 -0.087 -13.294 85 2HG GLU 10 HG1 GLU 10 -29.870 1.332 -12.479 86 H TRP 11 HN TRP 11 -28.198 -2.127 -9.870 87 HA TRP 11 HA TRP 11 -30.172 -1.542 -7.848 88 1HB TRP 11 HB2 TRP 11 -31.724 -1.985 -9.639 89 2HB TRP 11 HB1 TRP 11 -30.827 -3.404 -10.143 90 HD1 TRP 11 HD1 TRP 11 -32.844 -2.285 -6.957 91 HE1 TRP 11 HE1 TRP 11 -34.013 -4.374 -6.041 92 HE3 TRP 11 HE3 TRP 11 -31.080 -5.808 -10.242 93 HZ2 TRP 11 HZ2 TRP 11 -34.197 -7.113 -6.617 94 HZ3 TRP 11 HZ3 TRP 11 -31.800 -8.143 -10.006 95 HH2 TRP 11 HH2 TRP 11 -33.346 -8.797 -8.210 96 H GLU 12 HN GLU 12 -30.117 -3.082 -6.180 97 HA GLU 12 HA GLU 12 -28.866 -5.614 -6.392 98 1HB GLU 12 HB2 GLU 12 -26.933 -5.024 -4.794 99 2HB GLU 12 HB1 GLU 12 -26.754 -4.655 -6.504 100 1HG GLU 12 HG2 GLU 12 -27.276 -2.311 -6.098 101 2HG GLU 12 HG1 GLU 12 -27.620 -2.648 -4.400 102 H ALA 13 HN ALA 13 -30.260 -3.072 -4.456 103 HA ALA 13 HA ALA 13 -31.408 -4.997 -2.663 104 1HB ALA 13 HB1 ALA 13 -29.201 -3.189 -1.663 105 2HB ALA 13 HB3 ALA 13 -30.396 -3.928 -0.592 106 3HB ALA 13 HB2 ALA 13 -29.310 -4.944 -1.537 107 H HIS 14 HN HIS 14 -33.320 -4.295 -2.064 108 HA HIS 14 HA HIS 14 -35.107 -3.006 -1.523 109 1HB HIS 14 HB2 HIS 14 -33.119 -0.765 -1.089 110 2HB HIS 14 HB1 HIS 14 -34.788 -0.793 -0.543 111 HD1 HIS 14 HD1 HIS 14 -32.492 -0.477 1.468 112 HD2 HIS 14 HD2 HIS 14 -34.190 -4.132 0.504 113 HE1 HIS 14 HE1 HIS 14 -31.991 -1.960 3.420 114 H ASN 15 HN ASN 15 -36.632 -1.722 -2.442 115 HA ASN 15 HA ASN 15 -37.768 -0.665 -4.115 116 1HB ASN 15 HB2 ASN 15 -36.020 1.109 -3.307 117 2HB ASN 15 HB1 ASN 15 -35.258 0.824 -4.869 118 1HD2 ASN 15 HD22 ASN 15 -38.838 2.794 -4.623 119 2HD2 ASN 15 HD21 ASN 15 -38.190 1.926 -3.267 120 H LYS 16 HN LYS 16 -36.761 0.342 -6.627 121 HA LYS 16 HA LYS 16 -36.444 -2.213 -8.075 122 1HB LYS 16 HB2 LYS 16 -38.229 -0.180 -8.497 123 2HB LYS 16 HB1 LYS 16 -36.956 0.252 -9.633 124 1HG LYS 16 HG2 LYS 16 -37.088 -1.930 -10.681 125 2HG LYS 16 HG1 LYS 16 -38.239 -2.486 -9.465 126 1HD LYS 16 HD2 LYS 16 -39.941 -1.010 -10.263 127 2HD LYS 16 HD1 LYS 16 -38.801 -0.136 -11.280 128 1HE LYS 16 HE2 LYS 16 -40.097 -1.584 -12.698 129 2HE LYS 16 HE1 LYS 16 -38.458 -2.221 -12.612 130 1HZ LYS 16 HZ3 LYS 16 -40.737 -3.189 -10.966 131 2HZ LYS 16 HZ2 LYS 16 -40.185 -3.937 -12.401 132 3HZ LYS 16 HZ1 LYS 16 -39.169 -3.862 -11.034 133 H LYS 17 HN LYS 17 -34.866 0.793 -7.353 134 HA LYS 17 HA LYS 17 -32.477 -0.107 -8.789 135 1HB LYS 17 HB2 LYS 17 -32.114 1.874 -9.950 136 2HB LYS 17 HB1 LYS 17 -33.847 1.655 -10.118 137 1HG LYS 17 HG2 LYS 17 -32.503 3.472 -8.097 138 2HG LYS 17 HG1 LYS 17 -33.214 3.986 -9.619 139 1HD LYS 17 HD2 LYS 17 -35.328 2.684 -8.593 140 2HD LYS 17 HD1 LYS 17 -34.543 3.167 -7.093 141 1HE LYS 17 HE2 LYS 17 -35.582 4.930 -9.317 142 2HE LYS 17 HE1 LYS 17 -36.054 4.919 -7.621 143 1HZ LYS 17 HZ1 LYS 17 -33.563 5.528 -7.260 144 2HZ LYS 17 HZ3 LYS 17 -33.667 6.071 -8.880 145 3HZ LYS 17 HZ2 LYS 17 -34.695 6.729 -7.688 146 H ALA 18 HN ALA 18 -30.526 0.817 -7.955 147 HA ALA 18 HA ALA 18 -30.673 1.354 -5.066 148 1HB ALA 18 HB3 ALA 18 -28.422 0.522 -6.912 149 2HB ALA 18 HB2 ALA 18 -28.196 0.887 -5.198 150 3HB ALA 18 HB1 ALA 18 -29.227 -0.460 -5.687 151 H SER 19 HN SER 19 -29.045 2.876 -4.173 152 HA SER 19 HA SER 19 -29.215 5.472 -5.464 153 1HB SER 19 HB2 SER 19 -27.748 4.641 -2.937 154 2HB SER 19 HB1 SER 19 -28.106 6.289 -3.445 155 HG SER 19 HG SER 19 -30.221 4.434 -3.156 156 H SER 20 HN SER 20 -28.036 5.327 -7.308 157 HA SER 20 HA SER 20 -25.617 4.066 -7.735 158 1HB SER 20 HB2 SER 20 -26.557 6.536 -9.116 159 2HB SER 20 HB1 SER 20 -25.462 5.324 -9.756 160 HG SER 20 HG SER 20 -27.706 4.115 -8.930 161 H ARG 21 HN ARG 21 -23.736 4.337 -6.812 162 HA ARG 21 HA ARG 21 -22.866 6.891 -5.681 163 1HB ARG 21 HB2 ARG 21 -22.562 4.347 -4.833 164 2HB ARG 21 HB1 ARG 21 -21.068 4.516 -5.743 165 1HG ARG 21 HG2 ARG 21 -20.354 6.350 -4.404 166 2HG ARG 21 HG1 ARG 21 -21.943 6.522 -3.663 167 1HD ARG 21 HD2 ARG 21 -20.076 4.158 -3.314 168 2HD ARG 21 HD1 ARG 21 -20.350 5.433 -2.127 169 HE ARG 21 HE ARG 21 -22.841 4.601 -2.365 170 1HH1 ARG 21 HH21 ARG 21 -21.299 2.112 -3.764 171 2HH1 ARG 21 HH22 ARG 21 -21.497 0.956 -2.478 172 1HH2 ARG 21 HH11 ARG 21 -22.394 3.344 -0.062 173 2HH2 ARG 21 HH12 ARG 21 -22.088 1.650 -0.363 174 H SER 22 HN SER 22 -23.204 6.531 -8.567 175 HA SER 22 HA SER 22 -22.317 7.131 -10.524 176 1HB SER 22 HB2 SER 22 -19.938 8.141 -8.971 177 2HB SER 22 HB1 SER 22 -20.508 8.666 -10.552 178 HG SER 22 HG SER 22 -22.449 9.393 -9.538 179 H TRP 23 HN TRP 23 -19.753 7.166 -11.522 180 HA TRP 23 HA TRP 23 -19.272 4.326 -11.902 181 1HB TRP 23 HB2 TRP 23 -18.334 6.864 -13.210 182 2HB TRP 23 HB1 TRP 23 -17.493 5.349 -13.522 183 HD1 TRP 23 HD1 TRP 23 -20.675 7.231 -14.458 184 HE1 TRP 23 HE1 TRP 23 -22.009 5.817 -16.118 185 HE3 TRP 23 HE3 TRP 23 -18.057 2.863 -14.171 186 HZ2 TRP 23 HZ2 TRP 23 -21.983 3.195 -17.185 187 HZ3 TRP 23 HZ3 TRP 23 -18.738 0.945 -15.526 188 HH2 TRP 23 HH2 TRP 23 -20.692 1.101 -17.033 189 H HIS 24 HN HIS 24 -17.991 3.262 -10.559 190 HA HIS 24 HA HIS 24 -15.693 4.616 -9.285 191 1HB HIS 24 HB2 HIS 24 -17.630 3.499 -7.948 192 2HB HIS 24 HB1 HIS 24 -16.876 1.982 -8.418 193 HD1 HIS 24 HD1 HIS 24 -16.872 4.300 -5.752 194 HD2 HIS 24 HD2 HIS 24 -13.936 2.094 -7.647 195 HE1 HIS 24 HE1 HIS 24 -14.952 4.249 -4.131 196 H ASN 25 HN ASN 25 -13.728 4.046 -9.877 197 HA ASN 25 HA ASN 25 -13.257 1.954 -11.844 198 1HB ASN 25 HB2 ASN 25 -12.033 4.057 -12.035 199 2HB ASN 25 HB1 ASN 25 -11.391 3.877 -10.405 200 1HD2 ASN 25 HD22 ASN 25 -8.515 2.512 -11.817 201 2HD2 ASN 25 HD21 ASN 25 -9.259 3.764 -10.869 202 H VAL 26 HN VAL 26 -13.436 -0.059 -11.032 203 HA VAL 26 HA VAL 26 -11.944 -0.752 -8.565 204 HB VAL 26 HB VAL 26 -14.492 -0.826 -8.517 205 1HG1 VAL 26 HG11 VAL 26 -14.704 -1.874 -10.795 206 2HG1 VAL 26 HG13 VAL 26 -14.150 -3.383 -10.072 207 3HG1 VAL 26 HG12 VAL 26 -15.650 -2.641 -9.518 208 1HG2 VAL 26 HG23 VAL 26 -12.884 -2.047 -6.958 209 2HG2 VAL 26 HG22 VAL 26 -14.545 -2.640 -7.037 210 3HG2 VAL 26 HG21 VAL 26 -13.262 -3.493 -7.895 211 H TYR 27 HN TYR 27 -11.250 -3.038 -8.472 212 HA TYR 27 HA TYR 27 -10.166 -3.934 -11.080 213 1HB TYR 27 HB2 TYR 27 -8.694 -3.310 -9.034 214 2HB TYR 27 HB1 TYR 27 -9.219 -4.840 -8.364 215 HD1 TYR 27 HD2 TYR 27 -8.649 -6.972 -9.574 216 HD2 TYR 27 HD1 TYR 27 -7.058 -3.186 -10.710 217 HE1 TYR 27 HE2 TYR 27 -6.853 -8.098 -10.829 218 HE2 TYR 27 HE1 TYR 27 -5.270 -4.300 -11.959 219 HH TYR 27 HH TYR 27 -4.555 -6.267 -12.801 220 H CYS 28 HN CYS 28 -11.064 -5.711 -11.951 221 HA CYS 28 HA CYS 28 -12.689 -7.489 -10.219 222 1HB CYS 28 HB2 CYS 28 -12.866 -7.029 -13.206 223 2HB CYS 28 HB1 CYS 28 -13.909 -8.083 -12.256 224 HG CYS 28 HG CYS 28 -13.897 -5.093 -11.484 225 H VAL 29 HN VAL 29 -12.335 -9.631 -10.172 226 HA VAL 29 HA VAL 29 -10.279 -10.835 -11.934 227 HB VAL 29 HB VAL 29 -10.514 -11.128 -8.928 228 1HG1 VAL 29 HG13 VAL 29 -9.210 -12.832 -10.968 229 2HG1 VAL 29 HG12 VAL 29 -8.238 -12.450 -9.547 230 3HG1 VAL 29 HG11 VAL 29 -9.801 -13.239 -9.355 231 1HG2 VAL 29 HG22 VAL 29 -8.596 -9.720 -10.730 232 2HG2 VAL 29 HG21 VAL 29 -9.291 -9.202 -9.194 233 3HG2 VAL 29 HG23 VAL 29 -8.008 -10.411 -9.216 234 H ILE 30 HN ILE 30 -11.403 -12.293 -13.093 235 HA ILE 30 HA ILE 30 -13.738 -13.655 -11.971 236 HB ILE 30 HB ILE 30 -12.512 -13.833 -14.728 237 1HG1 ILE 30 HG12 ILE 30 -14.922 -12.253 -13.797 238 2HG1 ILE 30 HG11 ILE 30 -13.338 -11.562 -14.127 239 1HG2 ILE 30 HG23 ILE 30 -15.044 -14.937 -13.534 240 2HG2 ILE 30 HG22 ILE 30 -14.910 -14.624 -15.263 241 3HG2 ILE 30 HG21 ILE 30 -13.814 -15.771 -14.487 242 1HD1 ILE 30 HD11 ILE 30 -15.007 -13.062 -16.161 243 2HD1 ILE 30 HD13 ILE 30 -14.915 -11.305 -16.036 244 3HD1 ILE 30 HD12 ILE 30 -13.478 -12.238 -16.465 245 H ASN 31 HN ASN 31 -13.763 -15.704 -11.264 246 HA ASN 31 HA ASN 31 -11.558 -17.554 -11.916 247 1HB ASN 31 HB2 ASN 31 -11.062 -16.438 -9.730 248 2HB ASN 31 HB1 ASN 31 -12.587 -17.058 -9.100 249 1HD2 ASN 31 HD22 ASN 31 -9.897 -19.377 -8.044 250 2HD2 ASN 31 HD21 ASN 31 -10.270 -17.692 -7.825 251 H ASN 32 HN ASN 32 -12.512 -19.236 -12.825 252 HA ASN 32 HA ASN 32 -13.964 -20.904 -13.366 253 1HB ASN 32 HB2 ASN 32 -14.256 -20.718 -10.385 254 2HB ASN 32 HB1 ASN 32 -15.406 -21.719 -11.271 255 1HD2 ASN 32 HD22 ASN 32 -11.454 -22.795 -11.071 256 2HD2 ASN 32 HD21 ASN 32 -11.974 -21.186 -10.672 257 H GLN 33 HN GLN 33 -16.364 -20.001 -11.025 258 HA GLN 33 HA GLN 33 -17.993 -18.663 -13.124 259 1HB GLN 33 HB2 GLN 33 -18.977 -20.653 -11.059 260 2HB GLN 33 HB1 GLN 33 -19.973 -19.801 -12.236 261 1HG GLN 33 HG2 GLN 33 -18.580 -20.899 -14.049 262 2HG GLN 33 HG1 GLN 33 -17.858 -21.894 -12.784 263 1HE2 GLN 33 HE22 GLN 33 -21.460 -22.850 -14.277 264 2HE2 GLN 33 HE21 GLN 33 -20.423 -21.620 -14.941 265 H GLU 34 HN GLU 34 -16.281 -17.675 -10.845 266 HA GLU 34 HA GLU 34 -18.308 -15.964 -9.542 267 1HB GLU 34 HB2 GLU 34 -15.998 -17.393 -8.205 268 2HB GLU 34 HB1 GLU 34 -16.873 -16.056 -7.463 269 1HG GLU 34 HG2 GLU 34 -18.702 -17.322 -6.986 270 2HG GLU 34 HG1 GLU 34 -18.568 -18.278 -8.457 271 H MET 35 HN MET 35 -17.548 -13.870 -9.020 272 HA MET 35 HA MET 35 -14.903 -13.139 -10.122 273 1HB MET 35 HB2 MET 35 -15.782 -11.131 -11.073 274 2HB MET 35 HB1 MET 35 -16.768 -12.464 -11.654 275 1HG MET 35 HG2 MET 35 -18.469 -11.931 -9.950 276 2HG MET 35 HG1 MET 35 -17.506 -10.557 -9.428 277 1HE MET 35 HE3 MET 35 -16.717 -8.756 -10.909 278 2HE MET 35 HE2 MET 35 -16.632 -9.225 -12.607 279 3HE MET 35 HE1 MET 35 -17.764 -7.974 -12.097 280 H GLY 36 HN GLY 36 -13.701 -11.823 -8.891 281 1HA GLY 36 HA2 GLY 36 -14.794 -11.007 -6.262 282 2HA GLY 36 HA1 GLY 36 -13.109 -11.411 -6.578 283 H PHE 37 HN PHE 37 -14.690 -8.919 -5.648 284 HA PHE 37 HA PHE 37 -13.658 -6.933 -7.583 285 1HB PHE 37 HB2 PHE 37 -15.680 -6.715 -5.346 286 2HB PHE 37 HB1 PHE 37 -15.091 -5.341 -6.272 287 HD1 PHE 37 HD1 PHE 37 -15.415 -5.386 -8.815 288 HD2 PHE 37 HD2 PHE 37 -17.486 -7.995 -6.138 289 HE1 PHE 37 HE1 PHE 37 -17.116 -5.807 -10.540 290 HE2 PHE 37 HE2 PHE 37 -19.193 -8.409 -7.872 291 HZ PHE 37 HZ PHE 37 -19.009 -7.322 -10.070 292 H TYR 38 HN TYR 38 -11.831 -5.947 -7.132 293 HA TYR 38 HA TYR 38 -10.987 -5.540 -4.318 294 1HB TYR 38 HB2 TYR 38 -9.204 -6.372 -6.626 295 2HB TYR 38 HB1 TYR 38 -8.679 -6.035 -4.983 296 HD1 TYR 38 HD1 TYR 38 -9.240 -7.555 -3.147 297 HD2 TYR 38 HD2 TYR 38 -10.276 -8.446 -7.188 298 HE1 TYR 38 HE1 TYR 38 -9.659 -9.896 -2.519 299 HE2 TYR 38 HE2 TYR 38 -10.692 -10.787 -6.565 300 HH TYR 38 HH TYR 38 -9.708 -12.115 -3.609 301 H LYS 39 HN LYS 39 -9.224 -3.816 -4.207 302 HA LYS 39 HA LYS 39 -10.165 -1.476 -5.612 303 1HB LYS 39 HB2 LYS 39 -9.218 -1.736 -3.153 304 2HB LYS 39 HB1 LYS 39 -7.687 -1.387 -3.950 305 1HG LYS 39 HG2 LYS 39 -8.581 0.685 -4.848 306 2HG LYS 39 HG1 LYS 39 -10.178 0.305 -4.214 307 1HD LYS 39 HD2 LYS 39 -9.326 0.443 -1.926 308 2HD LYS 39 HD1 LYS 39 -7.703 0.758 -2.532 309 1HE LYS 39 HE2 LYS 39 -8.911 2.816 -1.790 310 2HE LYS 39 HE1 LYS 39 -8.392 2.868 -3.472 311 1HZ LYS 39 HZ3 LYS 39 -11.065 1.831 -3.004 312 2HZ LYS 39 HZ2 LYS 39 -10.852 3.480 -2.665 313 3HZ LYS 39 HZ1 LYS 39 -10.496 2.869 -4.220 314 H ASP 40 HN ASP 40 -7.312 -3.549 -5.814 315 HA ASP 40 HA ASP 40 -6.694 -2.614 -8.454 316 1HB ASP 40 HB2 ASP 40 -4.605 -1.568 -8.099 317 2HB ASP 40 HB1 ASP 40 -5.691 -0.826 -6.935 318 H ALA 41 HN ALA 41 -4.175 -3.486 -8.826 319 HA ALA 41 HA ALA 41 -4.424 -6.302 -8.928 320 1HB ALA 41 HB3 ALA 41 -3.065 -5.010 -10.517 321 2HB ALA 41 HB2 ALA 41 -1.939 -4.601 -9.221 322 3HB ALA 41 HB1 ALA 41 -2.112 -6.277 -9.745 323 H LYS 42 HN LYS 42 -2.741 -4.168 -6.649 324 HA LYS 42 HA LYS 42 -1.340 -6.229 -5.251 325 1HB LYS 42 HB2 LYS 42 -2.143 -3.444 -4.377 326 2HB LYS 42 HB1 LYS 42 -1.030 -4.492 -3.505 327 1HG LYS 42 HG2 LYS 42 0.433 -4.560 -5.522 328 2HG LYS 42 HG1 LYS 42 -0.652 -3.424 -6.311 329 1HD LYS 42 HD2 LYS 42 0.624 -2.791 -3.655 330 2HD LYS 42 HD1 LYS 42 1.474 -2.500 -5.168 331 1HE LYS 42 HE2 LYS 42 -1.128 -1.257 -4.258 332 2HE LYS 42 HE1 LYS 42 0.408 -0.443 -4.538 333 1HZ LYS 42 HZ2 LYS 42 0.097 -1.379 -6.928 334 2HZ LYS 42 HZ1 LYS 42 -1.546 -1.434 -6.475 335 3HZ LYS 42 HZ3 LYS 42 -0.707 0.047 -6.441 336 H SER 43 HN SER 43 -4.451 -4.599 -4.754 337 HA SER 43 HA SER 43 -5.168 -5.883 -2.321 338 1HB SER 43 HB2 SER 43 -7.004 -4.808 -4.471 339 2HB SER 43 HB1 SER 43 -7.423 -5.113 -2.787 340 HG SER 43 HG SER 43 -5.597 -3.171 -3.810 341 H ALA 44 HN ALA 44 -5.565 -6.741 -5.715 342 HA ALA 44 HA ALA 44 -7.270 -9.016 -5.284 343 1HB ALA 44 HB1 ALA 44 -5.644 -8.097 -7.661 344 2HB ALA 44 HB3 ALA 44 -6.688 -9.518 -7.685 345 3HB ALA 44 HB2 ALA 44 -7.379 -7.918 -7.412 346 H ALA 45 HN ALA 45 -3.782 -8.559 -5.796 347 HA ALA 45 HA ALA 45 -3.099 -11.327 -5.920 348 1HB ALA 45 HB2 ALA 45 -1.448 -8.866 -5.313 349 2HB ALA 45 HB1 ALA 45 -0.768 -10.485 -5.493 350 3HB ALA 45 HB3 ALA 45 -1.588 -9.719 -6.852 351 H SER 46 HN SER 46 -2.617 -8.934 -3.293 352 HA SER 46 HA SER 46 -1.791 -10.809 -1.337 353 1HB SER 46 HB2 SER 46 -3.125 -8.139 -0.837 354 2HB SER 46 HB1 SER 46 -2.039 -9.013 0.241 355 HG SER 46 HG SER 46 -0.407 -8.139 -0.765 356 H GLY 47 HN GLY 47 -4.969 -9.662 -2.309 357 1HA GLY 47 HA2 GLY 47 -7.008 -10.770 -2.024 358 2HA GLY 47 HA1 GLY 47 -6.259 -11.815 -0.819 359 H ILE 48 HN ILE 48 -7.037 -8.363 -1.290 360 HA ILE 48 HA ILE 48 -7.626 -8.092 1.590 361 HB ILE 48 HB ILE 48 -7.407 -5.926 -0.505 362 1HG1 ILE 48 HG12 ILE 48 -5.257 -7.046 -0.378 363 2HG1 ILE 48 HG11 ILE 48 -5.151 -5.487 0.435 364 1HG2 ILE 48 HG21 ILE 48 -7.347 -5.806 2.511 365 2HG2 ILE 48 HG23 ILE 48 -7.075 -4.440 1.427 366 3HG2 ILE 48 HG22 ILE 48 -8.647 -5.233 1.462 367 1HD1 ILE 48 HD13 ILE 48 -5.811 -6.969 2.546 368 2HD1 ILE 48 HD12 ILE 48 -5.069 -8.236 1.572 369 3HD1 ILE 48 HD11 ILE 48 -4.138 -6.804 2.015 370 HA PRO 49 HA PRO 49 -11.952 -8.333 0.456 371 1HB PRO 49 HB2 PRO 49 -13.017 -7.743 2.885 372 2HB PRO 49 HB1 PRO 49 -12.324 -9.315 2.476 373 1HG PRO 49 HG2 PRO 49 -11.143 -7.081 4.051 374 2HG PRO 49 HG1 PRO 49 -11.007 -8.827 4.299 375 1HD PRO 49 HD2 PRO 49 -9.059 -7.272 3.142 376 2HD PRO 49 HD1 PRO 49 -9.242 -9.013 2.854 377 H TYR 50 HN TYR 50 -12.125 -6.563 -0.941 378 HA TYR 50 HA TYR 50 -12.436 -3.859 0.133 379 1HB TYR 50 HB2 TYR 50 -11.123 -4.390 -1.972 380 2HB TYR 50 HB1 TYR 50 -12.661 -4.746 -2.746 381 HD1 TYR 50 HD1 TYR 50 -11.211 -2.057 -0.593 382 HD2 TYR 50 HD2 TYR 50 -13.552 -3.042 -4.026 383 HE1 TYR 50 HE1 TYR 50 -11.507 0.334 -1.079 384 HE2 TYR 50 HE2 TYR 50 -13.846 -0.644 -4.508 385 HH TYR 50 HH TYR 50 -13.774 1.581 -2.939 386 H HIS 51 HN HIS 51 -14.320 -3.096 0.712 387 HA HIS 51 HA HIS 51 -16.534 -2.563 0.755 388 1HB HIS 51 HB2 HIS 51 -16.179 -3.343 -1.932 389 2HB HIS 51 HB1 HIS 51 -17.593 -4.230 -1.385 390 HD1 HIS 51 HD1 HIS 51 -19.695 -2.978 -1.622 391 HD2 HIS 51 HD2 HIS 51 -16.467 -0.413 -1.244 392 HE1 HIS 51 HE1 HIS 51 -20.661 -0.683 -1.899 393 H SER 52 HN SER 52 -18.787 -3.763 0.805 394 HA SER 52 HA SER 52 -18.612 -5.715 2.875 395 1HB SER 52 HB2 SER 52 -21.244 -5.670 1.733 396 2HB SER 52 HB1 SER 52 -20.697 -4.990 3.257 397 HG SER 52 HG SER 52 -21.614 -3.609 1.319 398 H GLU 53 HN GLU 53 -19.604 -5.840 -0.517 399 HA GLU 53 HA GLU 53 -19.653 -8.799 -0.453 400 1HB GLU 53 HB2 GLU 53 -20.784 -6.819 -2.443 401 2HB GLU 53 HB1 GLU 53 -20.913 -8.568 -2.576 402 1HG GLU 53 HG2 GLU 53 -22.491 -8.730 -0.916 403 2HG GLU 53 HG1 GLU 53 -21.859 -7.353 -0.024 404 H VAL 54 HN VAL 54 -17.483 -9.303 -0.714 405 HA VAL 54 HA VAL 54 -15.926 -8.049 -2.842 406 HB VAL 54 HB VAL 54 -14.873 -10.398 -1.328 407 1HG1 VAL 54 HG13 VAL 54 -13.548 -9.207 -3.037 408 2HG1 VAL 54 HG12 VAL 54 -13.655 -7.739 -2.064 409 3HG1 VAL 54 HG11 VAL 54 -12.810 -9.158 -1.440 410 1HG2 VAL 54 HG21 VAL 54 -15.404 -7.695 -0.100 411 2HG2 VAL 54 HG23 VAL 54 -15.908 -9.282 0.499 412 3HG2 VAL 54 HG22 VAL 54 -14.207 -8.825 0.532 413 HA PRO 55 HA PRO 55 -16.378 -12.366 -4.768 414 1HB PRO 55 HB2 PRO 55 -17.462 -14.421 -3.369 415 2HB PRO 55 HB1 PRO 55 -15.774 -13.921 -3.205 416 1HG PRO 55 HG2 PRO 55 -17.974 -13.655 -1.303 417 2HG PRO 55 HG1 PRO 55 -16.237 -13.475 -1.034 418 1HD PRO 55 HD2 PRO 55 -18.254 -11.413 -1.443 419 2HD PRO 55 HD1 PRO 55 -16.579 -11.244 -0.905 420 H VAL 56 HN VAL 56 -17.885 -12.470 -6.356 421 HA VAL 56 HA VAL 56 -20.752 -12.718 -5.653 422 HB VAL 56 HB VAL 56 -19.581 -10.963 -7.827 423 1HG1 VAL 56 HG11 VAL 56 -22.320 -11.991 -7.318 424 2HG1 VAL 56 HG13 VAL 56 -22.183 -10.284 -7.743 425 3HG1 VAL 56 HG12 VAL 56 -21.547 -11.515 -8.832 426 1HG2 VAL 56 HG23 VAL 56 -20.834 -10.364 -5.165 427 2HG2 VAL 56 HG22 VAL 56 -19.329 -9.743 -5.847 428 3HG2 VAL 56 HG21 VAL 56 -20.882 -9.188 -6.478 429 H SER 57 HN SER 57 -21.664 -14.426 -6.596 430 HA SER 57 HA SER 57 -20.168 -16.064 -8.441 431 1HB SER 57 HB2 SER 57 -22.980 -16.645 -7.708 432 2HB SER 57 HB1 SER 57 -21.611 -17.722 -7.865 433 HG SER 57 HG SER 57 -22.051 -17.563 -5.695 434 H LEU 58 HN LEU 58 -20.485 -16.295 -10.581 435 HA LEU 58 HA LEU 58 -22.351 -14.509 -11.965 436 1HB LEU 58 HB2 LEU 58 -20.208 -16.386 -12.994 437 2HB LEU 58 HB1 LEU 58 -21.188 -15.328 -14.007 438 HG LEU 58 HG LEU 58 -19.358 -14.416 -11.786 439 1HD1 LEU 58 HD22 LEU 58 -19.000 -14.446 -14.788 440 2HD1 LEU 58 HD21 LEU 58 -18.019 -13.456 -13.706 441 3HD1 LEU 58 HD23 LEU 58 -17.982 -15.213 -13.565 442 1HD2 LEU 58 HD13 LEU 58 -21.276 -13.010 -13.584 443 2HD2 LEU 58 HD12 LEU 58 -20.881 -12.706 -11.892 444 3HD2 LEU 58 HD11 LEU 58 -19.774 -12.191 -13.163 445 H LYS 59 HN LYS 59 -23.900 -16.114 -10.659 446 HA LYS 59 HA LYS 59 -24.539 -18.610 -11.942 447 1HB LYS 59 HB2 LYS 59 -25.303 -17.152 -9.561 448 2HB LYS 59 HB1 LYS 59 -26.736 -17.698 -10.405 449 1HG LYS 59 HG2 LYS 59 -24.444 -19.580 -9.916 450 2HG LYS 59 HG1 LYS 59 -25.617 -19.249 -8.645 451 1HD LYS 59 HD2 LYS 59 -26.729 -19.952 -11.312 452 2HD LYS 59 HD1 LYS 59 -25.899 -21.241 -10.451 453 1HE LYS 59 HE2 LYS 59 -28.132 -21.457 -9.765 454 2HE LYS 59 HE1 LYS 59 -27.360 -20.609 -8.432 455 1HZ LYS 59 HZ1 LYS 59 -28.765 -19.185 -10.611 456 2HZ LYS 59 HZ3 LYS 59 -29.576 -19.733 -9.220 457 3HZ LYS 59 HZ2 LYS 59 -28.318 -18.585 -9.075 458 H GLU 60 HN GLU 60 -25.086 -18.348 -14.066 459 HA GLU 60 HA GLU 60 -26.306 -17.832 -15.932 460 1HB GLU 60 HB2 GLU 60 -28.489 -16.995 -14.003 461 2HB GLU 60 HB1 GLU 60 -28.682 -17.408 -15.701 462 1HG GLU 60 HG2 GLU 60 -28.599 -19.650 -15.318 463 2HG GLU 60 HG1 GLU 60 -27.395 -19.500 -14.041 464 H ALA 61 HN ALA 61 -24.479 -16.028 -15.442 465 HA ALA 61 HA ALA 61 -25.463 -13.351 -15.091 466 1HB ALA 61 HB1 ALA 61 -23.182 -14.077 -14.435 467 2HB ALA 61 HB3 ALA 61 -22.775 -14.268 -16.141 468 3HB ALA 61 HB2 ALA 61 -23.179 -12.673 -15.502 469 H ILE 62 HN ILE 62 -26.831 -12.630 -16.611 470 HA ILE 62 HA ILE 62 -26.357 -13.089 -19.461 471 HB ILE 62 HB ILE 62 -28.471 -11.325 -18.203 472 1HG1 ILE 62 HG12 ILE 62 -28.493 -14.311 -18.658 473 2HG1 ILE 62 HG11 ILE 62 -28.781 -13.446 -17.150 474 1HG2 ILE 62 HG22 ILE 62 -27.851 -11.444 -20.778 475 2HG2 ILE 62 HG21 ILE 62 -28.839 -12.902 -20.710 476 3HG2 ILE 62 HG23 ILE 62 -29.530 -11.347 -20.246 477 1HD1 ILE 62 HD12 ILE 62 -30.833 -12.439 -18.201 478 2HD1 ILE 62 HD11 ILE 62 -30.571 -13.498 -19.594 479 3HD1 ILE 62 HD13 ILE 62 -30.911 -14.189 -18.007 480 H CYS 63 HN CYS 63 -25.468 -11.590 -20.816 481 HA CYS 63 HA CYS 63 -24.815 -8.923 -19.707 482 1HB CYS 63 HB2 CYS 63 -22.854 -10.395 -19.591 483 2HB CYS 63 HB1 CYS 63 -22.978 -10.703 -21.313 484 HG CYS 63 HG CYS 63 -22.487 -7.793 -20.346 485 H GLU 64 HN GLU 64 -25.122 -7.247 -20.990 486 HA GLU 64 HA GLU 64 -25.899 -7.665 -23.828 487 1HB GLU 64 HB2 GLU 64 -27.685 -6.968 -21.983 488 2HB GLU 64 HB1 GLU 64 -26.975 -5.374 -22.216 489 1HG GLU 64 HG2 GLU 64 -27.379 -5.748 -24.722 490 2HG GLU 64 HG1 GLU 64 -28.393 -7.108 -24.237 491 H VAL 65 HN VAL 65 -25.063 -6.184 -25.299 492 HA VAL 65 HA VAL 65 -22.749 -4.650 -24.400 493 HB VAL 65 HB VAL 65 -23.872 -4.921 -27.193 494 1HG1 VAL 65 HG11 VAL 65 -21.323 -3.869 -26.026 495 2HG1 VAL 65 HG13 VAL 65 -21.303 -4.612 -27.624 496 3HG1 VAL 65 HG12 VAL 65 -22.322 -3.206 -27.320 497 1HG2 VAL 65 HG22 VAL 65 -21.979 -6.694 -25.662 498 2HG2 VAL 65 HG21 VAL 65 -23.467 -7.150 -26.493 499 3HG2 VAL 65 HG23 VAL 65 -22.044 -6.678 -27.424 500 H ALA 66 HN ALA 66 -22.568 -2.458 -24.370 501 HA ALA 66 HA ALA 66 -24.855 -0.807 -25.258 502 1HB ALA 66 HB2 ALA 66 -24.854 -1.251 -22.729 503 2HB ALA 66 HB1 ALA 66 -23.394 -0.267 -22.667 504 3HB ALA 66 HB3 ALA 66 -24.907 0.433 -23.242 505 H LEU 67 HN LEU 67 -23.430 -0.537 -27.085 506 HA LEU 67 HA LEU 67 -20.858 0.676 -26.908 507 1HB LEU 67 HB2 LEU 67 -22.287 -0.550 -28.888 508 2HB LEU 67 HB1 LEU 67 -22.447 1.132 -29.368 509 HG LEU 67 HG LEU 67 -20.520 -0.094 -30.382 510 1HD1 LEU 67 HD21 LEU 67 -20.678 2.515 -29.620 511 2HD1 LEU 67 HD23 LEU 67 -19.155 2.021 -28.878 512 3HD1 LEU 67 HD22 LEU 67 -19.391 1.830 -30.611 513 1HD2 LEU 67 HD12 LEU 67 -20.041 -1.192 -28.023 514 2HD2 LEU 67 HD11 LEU 67 -18.758 -0.930 -29.203 515 3HD2 LEU 67 HD13 LEU 67 -18.966 0.201 -27.866 516 H ASP 68 HN ASP 68 -24.138 1.931 -27.247 517 HA ASP 68 HA ASP 68 -23.096 4.697 -26.938 518 1HB ASP 68 HB2 ASP 68 -24.106 4.227 -29.176 519 2HB ASP 68 HB1 ASP 68 -25.627 3.845 -28.376 520 H TYR 69 HN TYR 69 -23.239 3.927 -24.604 521 HA TYR 69 HA TYR 69 -25.939 3.862 -23.465 522 1HB TYR 69 HB2 TYR 69 -24.245 2.379 -22.486 523 2HB TYR 69 HB1 TYR 69 -23.208 3.757 -22.144 524 HD1 TYR 69 HD1 TYR 69 -26.755 2.691 -21.513 525 HD2 TYR 69 HD2 TYR 69 -23.214 4.514 -19.972 526 HE1 TYR 69 HE1 TYR 69 -27.830 2.922 -19.310 527 HE2 TYR 69 HE2 TYR 69 -24.293 4.746 -17.773 528 HH TYR 69 HH TYR 69 -26.170 4.523 -16.597 529 H LYS 70 HN LYS 70 -26.558 5.971 -24.185 530 HA LYS 70 HA LYS 70 -27.074 8.165 -23.800 531 1HB LYS 70 HB2 LYS 70 -25.080 8.218 -21.521 532 2HB LYS 70 HB1 LYS 70 -26.412 9.326 -21.819 533 1HG LYS 70 HG2 LYS 70 -26.632 6.424 -21.013 534 2HG LYS 70 HG1 LYS 70 -27.065 7.831 -20.049 535 1HD LYS 70 HD2 LYS 70 -28.775 8.395 -21.822 536 2HD LYS 70 HD1 LYS 70 -28.422 6.838 -22.566 537 1HE LYS 70 HE2 LYS 70 -30.358 6.520 -21.198 538 2HE LYS 70 HE1 LYS 70 -29.013 5.741 -20.372 539 1HZ LYS 70 HZ3 LYS 70 -29.614 8.536 -19.706 540 2HZ LYS 70 HZ2 LYS 70 -30.670 7.321 -19.129 541 3HZ LYS 70 HZ1 LYS 70 -29.009 7.276 -18.726 542 H LYS 71 HN LYS 71 -23.743 7.175 -23.879 543 HA LYS 71 HA LYS 71 -23.095 9.284 -25.802 544 1HB LYS 71 HB2 LYS 71 -21.476 8.729 -23.292 545 2HB LYS 71 HB1 LYS 71 -20.941 9.734 -24.639 546 1HG LYS 71 HG2 LYS 71 -23.010 11.148 -24.253 547 2HG LYS 71 HG1 LYS 71 -23.241 10.253 -22.753 548 1HD LYS 71 HD2 LYS 71 -21.070 10.997 -21.934 549 2HD LYS 71 HD1 LYS 71 -20.739 11.793 -23.472 550 1HE LYS 71 HE2 LYS 71 -22.495 13.391 -23.116 551 2HE LYS 71 HE1 LYS 71 -23.076 12.521 -21.700 552 1HZ LYS 71 HZ1 LYS 71 -20.422 13.819 -21.928 553 2HZ LYS 71 HZ3 LYS 71 -21.772 14.487 -21.129 554 3HZ LYS 71 HZ2 LYS 71 -21.047 13.048 -20.550 555 H LYS 72 HN LYS 72 -21.435 8.637 -27.244 556 HA LYS 72 HA LYS 72 -21.206 5.820 -27.668 557 1HB LYS 72 HB2 LYS 72 -19.429 6.686 -29.412 558 2HB LYS 72 HB1 LYS 72 -21.150 6.943 -29.670 559 1HG LYS 72 HG2 LYS 72 -21.030 9.212 -29.178 560 2HG LYS 72 HG1 LYS 72 -19.563 9.035 -28.221 561 1HD LYS 72 HD2 LYS 72 -19.278 8.292 -31.067 562 2HD LYS 72 HD1 LYS 72 -19.650 9.988 -30.784 563 1HE LYS 72 HE2 LYS 72 -17.503 10.362 -30.293 564 2HE LYS 72 HE1 LYS 72 -17.653 9.305 -28.898 565 1HZ LYS 72 HZ1 LYS 72 -17.351 7.750 -31.239 566 2HZ LYS 72 HZ3 LYS 72 -16.107 8.908 -31.148 567 3HZ LYS 72 HZ2 LYS 72 -16.357 7.822 -29.859 568 H LYS 73 HN LYS 73 -19.929 4.508 -26.548 569 HA LYS 73 HA LYS 73 -17.114 5.022 -26.251 570 1HB LYS 73 HB2 LYS 73 -17.103 4.796 -23.751 571 2HB LYS 73 HB1 LYS 73 -17.789 6.296 -24.339 572 1HG LYS 73 HG2 LYS 73 -19.959 4.519 -24.146 573 2HG LYS 73 HG1 LYS 73 -19.003 4.269 -22.691 574 1HD LYS 73 HD2 LYS 73 -19.841 7.007 -23.672 575 2HD LYS 73 HD1 LYS 73 -20.777 6.065 -22.511 576 1HE LYS 73 HE2 LYS 73 -18.844 6.029 -20.983 577 2HE LYS 73 HE1 LYS 73 -17.901 6.952 -22.147 578 1HZ LYS 73 HZ2 LYS 73 -20.462 8.011 -21.138 579 2HZ LYS 73 HZ1 LYS 73 -19.041 8.177 -20.217 580 3HZ LYS 73 HZ3 LYS 73 -19.117 8.858 -21.775 581 H HIS 74 HN HIS 74 -17.433 3.028 -23.788 582 HA HIS 74 HA HIS 74 -18.134 0.589 -25.300 583 1HB HIS 74 HB2 HIS 74 -15.479 1.009 -23.887 584 2HB HIS 74 HB1 HIS 74 -16.041 -0.516 -24.554 585 HD1 HIS 74 HD1 HIS 74 -14.405 2.645 -25.482 586 HD2 HIS 74 HD2 HIS 74 -16.131 -0.561 -27.454 587 HE1 HIS 74 HE1 HIS 74 -13.661 2.871 -27.861 588 H VAL 75 HN VAL 75 -19.981 0.631 -23.864 589 HA VAL 75 HA VAL 75 -19.374 -0.223 -21.082 590 HB VAL 75 HB VAL 75 -21.734 1.332 -22.173 591 1HG1 VAL 75 HG12 VAL 75 -21.326 0.103 -19.450 592 2HG1 VAL 75 HG11 VAL 75 -22.429 1.447 -19.732 593 3HG1 VAL 75 HG13 VAL 75 -22.699 -0.090 -20.546 594 1HG2 VAL 75 HG23 VAL 75 -19.523 2.512 -21.669 595 2HG2 VAL 75 HG22 VAL 75 -20.982 3.168 -20.931 596 3HG2 VAL 75 HG21 VAL 75 -19.873 2.180 -19.974 597 H PHE 76 HN PHE 76 -20.889 -1.800 -20.188 598 HA PHE 76 HA PHE 76 -22.666 -3.204 -21.989 599 1HB PHE 76 HB2 PHE 76 -21.631 -5.405 -21.687 600 2HB PHE 76 HB1 PHE 76 -20.593 -4.302 -22.570 601 HD1 PHE 76 HD1 PHE 76 -18.540 -3.414 -21.552 602 HD2 PHE 76 HD2 PHE 76 -20.990 -6.274 -19.534 603 HE1 PHE 76 HE1 PHE 76 -16.673 -3.948 -20.033 604 HE2 PHE 76 HE2 PHE 76 -19.127 -6.797 -18.012 605 HZ PHE 76 HZ PHE 76 -16.966 -5.637 -18.263 606 H LYS 77 HN LYS 77 -24.184 -4.409 -20.941 607 HA LYS 77 HA LYS 77 -24.567 -3.798 -18.105 608 1HB LYS 77 HB2 LYS 77 -26.313 -5.056 -20.228 609 2HB LYS 77 HB1 LYS 77 -26.775 -5.023 -18.535 610 1HG LYS 77 HG2 LYS 77 -25.985 -2.381 -19.273 611 2HG LYS 77 HG1 LYS 77 -27.100 -2.982 -20.496 612 1HD LYS 77 HD2 LYS 77 -28.677 -3.628 -18.699 613 2HD LYS 77 HD1 LYS 77 -27.575 -2.951 -17.504 614 1HE LYS 77 HE2 LYS 77 -27.805 -0.731 -18.651 615 2HE LYS 77 HE1 LYS 77 -29.017 -1.453 -19.704 616 1HZ LYS 77 HZ1 LYS 77 -29.885 -2.119 -17.224 617 2HZ LYS 77 HZ3 LYS 77 -29.264 -0.551 -16.990 618 3HZ LYS 77 HZ2 LYS 77 -30.463 -0.820 -18.170 619 H LEU 78 HN LEU 78 -24.820 -5.325 -16.505 620 HA LEU 78 HA LEU 78 -24.218 -8.141 -17.109 621 1HB LEU 78 HB2 LEU 78 -22.367 -6.399 -15.946 622 2HB LEU 78 HB1 LEU 78 -23.053 -7.257 -14.577 623 HG LEU 78 HG LEU 78 -21.546 -8.336 -16.934 624 1HD1 LEU 78 HD22 LEU 78 -21.309 -8.534 -13.939 625 2HD1 LEU 78 HD21 LEU 78 -20.403 -9.579 -15.029 626 3HD1 LEU 78 HD23 LEU 78 -20.168 -7.832 -15.087 627 1HD2 LEU 78 HD13 LEU 78 -23.697 -9.713 -15.437 628 2HD2 LEU 78 HD12 LEU 78 -23.095 -9.989 -17.077 629 3HD2 LEU 78 HD11 LEU 78 -22.211 -10.622 -15.684 630 H ARG 79 HN ARG 79 -26.074 -9.076 -16.570 631 HA ARG 79 HA ARG 79 -27.437 -8.298 -14.050 632 1HB ARG 79 HB2 ARG 79 -28.807 -7.853 -16.032 633 2HB ARG 79 HB1 ARG 79 -28.579 -9.508 -16.586 634 1HG ARG 79 HG2 ARG 79 -29.781 -10.356 -14.633 635 2HG ARG 79 HG1 ARG 79 -29.951 -8.724 -14.006 636 1HD ARG 79 HD2 ARG 79 -31.027 -8.426 -16.488 637 2HD ARG 79 HD1 ARG 79 -31.452 -10.102 -16.152 638 HE ARG 79 HE ARG 79 -32.657 -7.781 -14.987 639 1HH1 ARG 79 HH11 ARG 79 -33.263 -10.982 -15.175 640 2HH1 ARG 79 HH12 ARG 79 -33.743 -11.238 -13.524 641 1HH2 ARG 79 HH21 ARG 79 -32.564 -8.099 -12.413 642 2HH2 ARG 79 HH22 ARG 79 -33.329 -9.597 -11.930 643 H LEU 80 HN LEU 80 -27.394 -9.773 -12.494 644 HA LEU 80 HA LEU 80 -26.231 -12.388 -12.870 645 1HB LEU 80 HB2 LEU 80 -27.573 -11.013 -10.537 646 2HB LEU 80 HB1 LEU 80 -26.895 -12.629 -10.420 647 HG LEU 80 HG LEU 80 -25.477 -10.008 -10.918 648 1HD1 LEU 80 HD11 LEU 80 -26.009 -11.035 -8.574 649 2HD1 LEU 80 HD13 LEU 80 -24.650 -12.100 -8.942 650 3HD1 LEU 80 HD12 LEU 80 -24.415 -10.352 -8.898 651 1HD2 LEU 80 HD21 LEU 80 -24.487 -12.793 -11.482 652 2HD2 LEU 80 HD23 LEU 80 -24.360 -11.339 -12.479 653 3HD2 LEU 80 HD22 LEU 80 -23.378 -11.500 -11.023 654 H SER 81 HN SER 81 -27.864 -13.941 -11.158 655 HA SER 81 HA SER 81 -29.724 -15.043 -12.953 656 1HB SER 81 HB2 SER 81 -28.639 -15.986 -10.708 657 2HB SER 81 HB1 SER 81 -30.152 -15.416 -10.010 658 HG SER 81 HG SER 81 -29.672 -17.547 -11.719 659 H ASP 82 HN ASP 82 -30.216 -13.018 -10.096 660 HA ASP 82 HA ASP 82 -32.051 -11.217 -11.048 661 1HB ASP 82 HB2 ASP 82 -33.585 -13.199 -11.420 662 2HB ASP 82 HB1 ASP 82 -33.584 -13.450 -9.682 663 H GLY 83 HN GLY 83 -30.187 -10.619 -9.434 664 1HA GLY 83 HA2 GLY 83 -31.430 -10.116 -6.825 665 2HA GLY 83 HA1 GLY 83 -29.896 -10.983 -6.831 666 H ASN 84 HN ASN 84 -28.665 -9.576 -9.025 667 HA ASN 84 HA ASN 84 -28.556 -6.780 -8.148 668 1HB ASN 84 HB2 ASN 84 -26.003 -8.330 -8.575 669 2HB ASN 84 HB1 ASN 84 -26.217 -6.754 -7.826 670 1HD2 ASN 84 HD22 ASN 84 -26.742 -8.021 -4.598 671 2HD2 ASN 84 HD21 ASN 84 -26.678 -6.641 -5.643 672 H GLU 85 HN GLU 85 -27.745 -5.376 -9.710 673 HA GLU 85 HA GLU 85 -27.139 -6.399 -12.402 674 1HB GLU 85 HB2 GLU 85 -29.392 -4.546 -11.633 675 2HB GLU 85 HB1 GLU 85 -28.667 -4.469 -13.237 676 1HG GLU 85 HG2 GLU 85 -29.253 -6.758 -13.690 677 2HG GLU 85 HG1 GLU 85 -29.787 -7.003 -12.029 678 H TYR 86 HN TYR 86 -25.372 -5.373 -13.151 679 HA TYR 86 HA TYR 86 -24.756 -2.634 -12.195 680 1HB TYR 86 HB2 TYR 86 -22.704 -4.834 -12.472 681 2HB TYR 86 HB1 TYR 86 -22.450 -3.212 -11.848 682 HD1 TYR 86 HD2 TYR 86 -23.815 -6.545 -11.093 683 HD2 TYR 86 HD1 TYR 86 -23.071 -2.607 -9.624 684 HE1 TYR 86 HE2 TYR 86 -24.173 -7.333 -8.790 685 HE2 TYR 86 HE1 TYR 86 -23.448 -3.388 -7.326 686 HH TYR 86 HH TYR 86 -24.397 -5.104 -6.086 687 H LEU 87 HN LEU 87 -23.379 -1.421 -13.546 688 HA LEU 87 HA LEU 87 -23.308 -2.262 -16.395 689 1HB LEU 87 HB2 LEU 87 -23.091 0.526 -15.209 690 2HB LEU 87 HB1 LEU 87 -23.067 0.129 -16.921 691 HG LEU 87 HG LEU 87 -25.363 0.060 -15.005 692 1HD1 LEU 87 HD12 LEU 87 -24.852 2.077 -16.377 693 2HD1 LEU 87 HD11 LEU 87 -25.123 1.102 -17.827 694 3HD1 LEU 87 HD13 LEU 87 -26.445 1.382 -16.690 695 1HD2 LEU 87 HD21 LEU 87 -25.103 -1.493 -17.567 696 2HD2 LEU 87 HD23 LEU 87 -25.585 -2.092 -15.982 697 3HD2 LEU 87 HD22 LEU 87 -26.661 -1.033 -16.885 698 H PHE 88 HN PHE 88 -21.329 -2.377 -17.390 699 HA PHE 88 HA PHE 88 -18.959 -1.585 -15.804 700 1HB PHE 88 HB2 PHE 88 -19.493 -4.114 -17.325 701 2HB PHE 88 HB1 PHE 88 -17.849 -3.568 -17.019 702 HD1 PHE 88 HD1 PHE 88 -16.986 -3.423 -14.708 703 HD2 PHE 88 HD2 PHE 88 -20.853 -5.007 -15.568 704 HE1 PHE 88 HE1 PHE 88 -17.072 -4.419 -12.460 705 HE2 PHE 88 HE2 PHE 88 -20.944 -6.009 -13.320 706 HZ PHE 88 HZ PHE 88 -19.062 -5.714 -11.764 707 H GLN 89 HN GLN 89 -17.312 -0.617 -16.872 708 HA GLN 89 HA GLN 89 -17.657 -0.105 -19.773 709 1HB GLN 89 HB2 GLN 89 -18.154 1.842 -18.134 710 2HB GLN 89 HB1 GLN 89 -16.411 1.888 -17.900 711 1HG GLN 89 HG2 GLN 89 -16.021 2.342 -20.218 712 2HG GLN 89 HG1 GLN 89 -17.715 2.060 -20.612 713 1HE2 GLN 89 HE22 GLN 89 -16.545 5.719 -19.584 714 2HE2 GLN 89 HE21 GLN 89 -15.481 4.415 -20.026 715 H ALA 90 HN ALA 90 -15.944 -0.500 -21.013 716 HA ALA 90 HA ALA 90 -13.386 -1.285 -19.737 717 1HB ALA 90 HB2 ALA 90 -14.588 -1.958 -22.432 718 2HB ALA 90 HB1 ALA 90 -12.952 -2.407 -21.947 719 3HB ALA 90 HB3 ALA 90 -14.339 -3.053 -21.069 720 H LYS 91 HN LYS 91 -11.447 -0.861 -21.236 721 HA LYS 91 HA LYS 91 -11.456 2.004 -21.904 722 1HB LYS 91 HB2 LYS 91 -9.190 0.008 -21.702 723 2HB LYS 91 HB1 LYS 91 -9.003 1.729 -22.026 724 1HG LYS 91 HG2 LYS 91 -9.116 2.220 -19.849 725 2HG LYS 91 HG1 LYS 91 -10.630 1.346 -19.666 726 1HD LYS 91 HD2 LYS 91 -8.362 -0.465 -19.909 727 2HD LYS 91 HD1 LYS 91 -8.158 0.653 -18.567 728 1HE LYS 91 HE2 LYS 91 -10.053 -0.111 -17.454 729 2HE LYS 91 HE1 LYS 91 -10.780 -0.762 -18.919 730 1HZ LYS 91 HZ3 LYS 91 -8.288 -1.920 -17.850 731 2HZ LYS 91 HZ2 LYS 91 -9.801 -2.368 -17.211 732 3HZ LYS 91 HZ1 LYS 91 -9.462 -2.636 -18.860 733 H ASP 92 HN ASP 92 -10.616 -1.117 -23.400 734 HA ASP 92 HA ASP 92 -10.718 0.174 -26.073 735 1HB ASP 92 HB2 ASP 92 -8.485 -0.736 -25.362 736 2HB ASP 92 HB1 ASP 92 -9.212 -2.340 -25.309 737 H ASP 93 HN ASP 93 -11.648 -1.009 -27.788 738 HA ASP 93 HA ASP 93 -14.090 -2.316 -27.248 739 1HB ASP 93 HB2 ASP 93 -13.521 -1.083 -29.348 740 2HB ASP 93 HB1 ASP 93 -12.469 -2.419 -29.810 741 H GLU 94 HN GLU 94 -10.900 -3.630 -28.148 742 HA GLU 94 HA GLU 94 -11.673 -6.354 -28.387 743 1HB GLU 94 HB2 GLU 94 -8.990 -5.169 -27.631 744 2HB GLU 94 HB1 GLU 94 -9.269 -6.834 -28.133 745 1HG GLU 94 HG2 GLU 94 -10.222 -5.904 -30.294 746 2HG GLU 94 HG1 GLU 94 -9.604 -4.329 -29.790 747 H GLU 95 HN GLU 95 -10.601 -4.391 -25.662 748 HA GLU 95 HA GLU 95 -10.387 -6.468 -23.733 749 1HB GLU 95 HB2 GLU 95 -9.557 -3.992 -23.655 750 2HB GLU 95 HB1 GLU 95 -11.170 -3.650 -23.036 751 1HG GLU 95 HG2 GLU 95 -10.540 -5.711 -21.434 752 2HG GLU 95 HG1 GLU 95 -8.911 -5.141 -21.781 753 H MET 96 HN MET 96 -12.983 -4.213 -24.608 754 HA MET 96 HA MET 96 -14.935 -4.963 -22.742 755 1HB MET 96 HB2 MET 96 -14.928 -2.997 -24.393 756 2HB MET 96 HB1 MET 96 -15.562 -4.132 -25.575 757 1HG MET 96 HG2 MET 96 -17.402 -4.655 -23.900 758 2HG MET 96 HG1 MET 96 -16.827 -3.275 -22.975 759 1HE MET 96 HE1 MET 96 -18.077 -4.623 -26.244 760 2HE MET 96 HE3 MET 96 -18.968 -3.299 -27.008 761 3HE MET 96 HE2 MET 96 -17.213 -3.377 -27.142 762 H ASN 97 HN ASN 97 -14.358 -6.191 -26.035 763 HA ASN 97 HA ASN 97 -16.457 -8.063 -26.156 764 1HB ASN 97 HB2 ASN 97 -15.068 -7.255 -28.085 765 2HB ASN 97 HB1 ASN 97 -13.753 -8.276 -27.511 766 1HD2 ASN 97 HD22 ASN 97 -14.981 -10.811 -29.584 767 2HD2 ASN 97 HD21 ASN 97 -13.674 -9.751 -29.148 768 H THR 98 HN THR 98 -13.091 -8.436 -25.066 769 HA THR 98 HA THR 98 -13.241 -11.222 -24.515 770 HB THR 98 HB THR 98 -11.380 -9.247 -23.191 771 HG1 THR 98 HG1 THR 98 -11.001 -8.814 -25.275 772 1HG2 THR 98 HG22 THR 98 -11.257 -12.205 -23.792 773 2HG2 THR 98 HG21 THR 98 -9.817 -11.254 -23.411 774 3HG2 THR 98 HG23 THR 98 -11.118 -11.400 -22.229 775 H TRP 99 HN TRP 99 -13.781 -8.344 -22.480 776 HA TRP 99 HA TRP 99 -14.092 -9.664 -19.994 777 1HB TRP 99 HB2 TRP 99 -14.959 -7.021 -21.111 778 2HB TRP 99 HB1 TRP 99 -15.668 -7.557 -19.596 779 HD1 TRP 99 HD1 TRP 99 -12.908 -5.480 -20.731 780 HE1 TRP 99 HE1 TRP 99 -11.111 -5.256 -18.930 781 HE3 TRP 99 HE3 TRP 99 -14.305 -9.306 -17.594 782 HZ2 TRP 99 HZ2 TRP 99 -10.363 -6.481 -16.524 783 HZ3 TRP 99 HZ3 TRP 99 -12.991 -9.706 -15.548 784 HH2 TRP 99 HH2 TRP 99 -11.042 -8.312 -15.015 785 H ILE 100 HN ILE 100 -16.514 -8.672 -22.412 786 HA ILE 100 HA ILE 100 -18.811 -9.638 -21.104 787 HB ILE 100 HB ILE 100 -18.199 -9.228 -24.035 788 1HG1 ILE 100 HG12 ILE 100 -19.945 -7.579 -22.209 789 2HG1 ILE 100 HG11 ILE 100 -18.231 -7.257 -22.425 790 1HG2 ILE 100 HG21 ILE 100 -20.698 -10.185 -22.703 791 2HG2 ILE 100 HG23 ILE 100 -20.831 -9.107 -24.092 792 3HG2 ILE 100 HG22 ILE 100 -19.998 -10.653 -24.255 793 1HD1 ILE 100 HD11 ILE 100 -20.030 -7.486 -24.814 794 2HD1 ILE 100 HD13 ILE 100 -19.960 -5.983 -23.896 795 3HD1 ILE 100 HD12 ILE 100 -18.500 -6.622 -24.650 796 H GLN 101 HN GLN 101 -16.726 -11.211 -23.536 797 HA GLN 101 HA GLN 101 -18.161 -13.645 -23.709 798 1HB GLN 101 HB2 GLN 101 -15.333 -12.863 -24.374 799 2HB GLN 101 HB1 GLN 101 -15.920 -14.510 -24.603 800 1HG GLN 101 HG2 GLN 101 -17.707 -13.697 -26.060 801 2HG GLN 101 HG1 GLN 101 -17.165 -12.036 -25.824 802 1HE2 GLN 101 HE22 GLN 101 -15.696 -13.849 -28.904 803 2HE2 GLN 101 HE21 GLN 101 -17.279 -13.960 -28.195 804 H ALA 102 HN ALA 102 -15.444 -12.668 -21.626 805 HA ALA 102 HA ALA 102 -14.899 -15.198 -20.485 806 1HB ALA 102 HB1 ALA 102 -14.528 -12.436 -19.296 807 2HB ALA 102 HB3 ALA 102 -13.797 -13.920 -18.683 808 3HB ALA 102 HB2 ALA 102 -13.357 -13.315 -20.280 809 H ILE 103 HN ILE 103 -17.123 -12.615 -19.540 810 HA ILE 103 HA ILE 103 -18.071 -13.882 -17.130 811 HB ILE 103 HB ILE 103 -19.170 -11.619 -18.810 812 1HG1 ILE 103 HG12 ILE 103 -17.872 -11.341 -16.118 813 2HG1 ILE 103 HG11 ILE 103 -16.871 -11.456 -17.561 814 1HG2 ILE 103 HG21 ILE 103 -20.106 -12.803 -16.215 815 2HG2 ILE 103 HG23 ILE 103 -20.327 -11.085 -16.543 816 3HG2 ILE 103 HG22 ILE 103 -21.048 -12.283 -17.615 817 1HD1 ILE 103 HD11 ILE 103 -18.645 -9.581 -18.370 818 2HD1 ILE 103 HD13 ILE 103 -18.606 -9.251 -16.638 819 3HD1 ILE 103 HD12 ILE 103 -17.116 -9.203 -17.574 820 H SER 104 HN SER 104 -19.179 -13.702 -20.501 821 HA SER 104 HA SER 104 -21.708 -14.947 -20.133 822 1HB SER 104 HB2 SER 104 -19.976 -14.819 -22.609 823 2HB SER 104 HB1 SER 104 -21.684 -15.259 -22.573 824 HG SER 104 HG SER 104 -20.484 -12.744 -22.012 825 H SER 105 HN SER 105 -18.489 -16.247 -20.424 826 HA SER 105 HA SER 105 -19.437 -18.974 -20.949 827 1HB SER 105 HB2 SER 105 -16.610 -18.015 -20.462 828 2HB SER 105 HB1 SER 105 -17.112 -19.544 -21.183 829 HG SER 105 HG SER 105 -17.068 -16.963 -22.289 830 H ALA 106 HN ALA 106 -19.533 -17.213 -18.248 831 HA ALA 106 HA ALA 106 -18.189 -18.970 -16.371 832 1HB ALA 106 HB1 ALA 106 -18.369 -16.549 -15.957 833 2HB ALA 106 HB3 ALA 106 -20.128 -16.693 -15.884 834 3HB ALA 106 HB2 ALA 106 -19.126 -17.484 -14.668 No H/Q in entry = 834 Start of MODEL 9 1 1H MET 1 HT2 MET 1 -10.012 -11.300 -17.741 2 2H MET 1 HT1 MET 1 -8.704 -12.239 -18.318 3 3H MET 1 HT3 MET 1 -10.300 -12.795 -18.505 4 HA MET 1 HA MET 1 -10.470 -13.568 -16.454 5 1HB MET 1 HB2 MET 1 -8.246 -14.405 -17.434 6 2HB MET 1 HB1 MET 1 -7.467 -13.301 -16.306 7 1HG MET 1 HG2 MET 1 -9.399 -14.724 -14.808 8 2HG MET 1 HG1 MET 1 -8.599 -15.915 -15.826 9 1HE MET 1 HE2 MET 1 -8.052 -17.121 -13.891 10 2HE MET 1 HE1 MET 1 -6.476 -16.971 -13.116 11 3HE MET 1 HE3 MET 1 -7.901 -16.219 -12.384 12 H GLU 2 HN GLU 2 -7.970 -10.999 -16.233 13 HA GLU 2 HA GLU 2 -9.412 -9.814 -13.977 14 1HB GLU 2 HB2 GLU 2 -8.085 -10.665 -12.419 15 2HB GLU 2 HB1 GLU 2 -7.138 -11.507 -13.621 16 1HG GLU 2 HG2 GLU 2 -6.600 -8.613 -13.080 17 2HG GLU 2 HG1 GLU 2 -6.002 -9.833 -11.975 18 H GLY 3 HN GLY 3 -8.965 -7.655 -13.596 19 1HA GLY 3 HA2 GLY 3 -7.009 -5.996 -14.516 20 2HA GLY 3 HA1 GLY 3 -8.092 -6.142 -15.901 21 H PHE 4 HN PHE 4 -7.873 -3.682 -15.044 22 HA PHE 4 HA PHE 4 -9.692 -2.945 -12.927 23 1HB PHE 4 HB2 PHE 4 -7.988 -1.483 -14.890 24 2HB PHE 4 HB1 PHE 4 -9.345 -0.617 -14.191 25 HD1 PHE 4 HD1 PHE 4 -9.564 -0.928 -11.539 26 HD2 PHE 4 HD2 PHE 4 -5.959 -1.329 -13.797 27 HE1 PHE 4 HE1 PHE 4 -8.236 -0.480 -9.514 28 HE2 PHE 4 HE2 PHE 4 -4.634 -0.871 -11.772 29 HZ PHE 4 HZ PHE 4 -5.788 -0.417 -9.628 30 H LEU 5 HN LEU 5 -11.659 -1.858 -13.151 31 HA LEU 5 HA LEU 5 -12.977 -1.664 -15.748 32 1HB LEU 5 HB2 LEU 5 -13.547 -3.801 -13.764 33 2HB LEU 5 HB1 LEU 5 -14.957 -2.966 -14.395 34 HG LEU 5 HG LEU 5 -12.845 -4.365 -16.032 35 1HD1 LEU 5 HD11 LEU 5 -15.609 -5.106 -15.151 36 2HD1 LEU 5 HD13 LEU 5 -14.928 -5.775 -16.632 37 3HD1 LEU 5 HD12 LEU 5 -14.127 -6.057 -15.084 38 1HD2 LEU 5 HD21 LEU 5 -15.008 -2.492 -16.753 39 2HD2 LEU 5 HD23 LEU 5 -13.517 -2.885 -17.608 40 3HD2 LEU 5 HD22 LEU 5 -14.911 -3.956 -17.732 41 H ASN 6 HN ASN 6 -14.735 -0.267 -15.709 42 HA ASN 6 HA ASN 6 -15.070 1.341 -13.253 43 1HB ASN 6 HB2 ASN 6 -14.901 2.057 -15.963 44 2HB ASN 6 HB1 ASN 6 -16.601 2.240 -15.561 45 1HD2 ASN 6 HD22 ASN 6 -14.133 5.130 -14.547 46 2HD2 ASN 6 HD21 ASN 6 -13.901 3.945 -15.800 47 H ARG 7 HN ARG 7 -16.789 0.926 -11.958 48 HA ARG 7 HA ARG 7 -19.004 -0.701 -13.087 49 1HB ARG 7 HB2 ARG 7 -17.467 -1.712 -11.307 50 2HB ARG 7 HB1 ARG 7 -18.238 -0.604 -10.173 51 1HG ARG 7 HG2 ARG 7 -20.406 -1.581 -10.598 52 2HG ARG 7 HG1 ARG 7 -19.762 -2.554 -11.917 53 1HD ARG 7 HD2 ARG 7 -19.729 -4.151 -10.285 54 2HD ARG 7 HD1 ARG 7 -18.151 -3.434 -9.967 55 HE ARG 7 HE ARG 7 -19.983 -2.004 -8.422 56 1HH1 ARG 7 HH11 ARG 7 -17.598 -3.831 -7.494 57 2HH1 ARG 7 HH12 ARG 7 -18.420 -4.910 -6.417 58 1HH2 ARG 7 HH21 ARG 7 -21.622 -3.956 -7.456 59 2HH2 ARG 7 HH22 ARG 7 -20.705 -4.945 -6.357 60 H LYS 8 HN LYS 8 -21.003 0.011 -12.974 61 HA LYS 8 HA LYS 8 -21.741 2.226 -11.156 62 1HB LYS 8 HB2 LYS 8 -21.390 3.172 -13.373 63 2HB LYS 8 HB1 LYS 8 -22.439 1.967 -14.092 64 1HG LYS 8 HG2 LYS 8 -24.163 3.012 -12.304 65 2HG LYS 8 HG1 LYS 8 -23.117 4.405 -12.515 66 1HD LYS 8 HD2 LYS 8 -23.983 4.858 -14.545 67 2HD LYS 8 HD1 LYS 8 -23.821 3.188 -15.069 68 1HE LYS 8 HE2 LYS 8 -26.124 3.492 -15.148 69 2HE LYS 8 HE1 LYS 8 -25.916 2.771 -13.552 70 1HZ LYS 8 HZ2 LYS 8 -25.633 5.535 -13.275 71 2HZ LYS 8 HZ1 LYS 8 -27.023 5.269 -14.233 72 3HZ LYS 8 HZ3 LYS 8 -26.891 4.547 -12.694 73 H HIS 9 HN HIS 9 -23.605 1.850 -10.092 74 HA HIS 9 HA HIS 9 -25.023 -0.662 -10.646 75 1HB HIS 9 HB2 HIS 9 -25.090 1.211 -8.276 76 2HB HIS 9 HB1 HIS 9 -26.102 -0.220 -8.418 77 HD1 HIS 9 HD1 HIS 9 -25.039 -1.459 -6.466 78 HD2 HIS 9 HD2 HIS 9 -22.284 -0.316 -9.335 79 HE1 HIS 9 HE1 HIS 9 -22.915 -2.630 -5.835 80 H GLU 10 HN GLU 10 -26.795 -0.649 -11.794 81 HA GLU 10 HA GLU 10 -28.336 1.838 -12.149 82 1HB GLU 10 HB2 GLU 10 -27.466 -0.138 -13.950 83 2HB GLU 10 HB1 GLU 10 -29.194 -0.416 -13.789 84 1HG GLU 10 HG2 GLU 10 -28.051 2.331 -14.320 85 2HG GLU 10 HG1 GLU 10 -28.440 1.208 -15.621 86 H TRP 11 HN TRP 11 -28.573 -1.475 -10.983 87 HA TRP 11 HA TRP 11 -30.976 -0.880 -9.473 88 1HB TRP 11 HB2 TRP 11 -31.726 -1.388 -11.865 89 2HB TRP 11 HB1 TRP 11 -31.134 -3.019 -11.611 90 HD1 TRP 11 HD1 TRP 11 -33.820 -0.604 -10.117 91 HE1 TRP 11 HE1 TRP 11 -35.737 -2.067 -9.249 92 HE3 TRP 11 HE3 TRP 11 -31.818 -5.245 -10.903 93 HZ2 TRP 11 HZ2 TRP 11 -36.341 -4.780 -8.920 94 HZ3 TRP 11 HZ3 TRP 11 -33.128 -7.237 -10.274 95 HH2 TRP 11 HH2 TRP 11 -35.359 -7.004 -9.293 96 H GLU 12 HN GLU 12 -31.047 -2.213 -7.669 97 HA GLU 12 HA GLU 12 -29.699 -4.804 -7.683 98 1HB GLU 12 HB2 GLU 12 -28.359 -4.125 -5.605 99 2HB GLU 12 HB1 GLU 12 -27.786 -3.548 -7.164 100 1HG GLU 12 HG2 GLU 12 -28.608 -1.350 -6.777 101 2HG GLU 12 HG1 GLU 12 -29.580 -1.871 -5.402 102 H ALA 13 HN ALA 13 -32.448 -3.484 -7.052 103 HA ALA 13 HA ALA 13 -33.181 -5.341 -5.017 104 1HB ALA 13 HB2 ALA 13 -32.137 -3.032 -3.918 105 2HB ALA 13 HB1 ALA 13 -33.866 -2.688 -3.943 106 3HB ALA 13 HB3 ALA 13 -33.262 -4.125 -3.118 107 H HIS 14 HN HIS 14 -35.446 -5.360 -4.598 108 HA HIS 14 HA HIS 14 -37.149 -5.254 -6.703 109 1HB HIS 14 HB2 HIS 14 -39.039 -5.147 -5.089 110 2HB HIS 14 HB1 HIS 14 -37.817 -6.339 -4.684 111 HD1 HIS 14 HD1 HIS 14 -39.723 -3.676 -3.222 112 HD2 HIS 14 HD2 HIS 14 -36.006 -5.350 -2.528 113 HE1 HIS 14 HE1 HIS 14 -39.114 -2.951 -0.910 114 H ASN 15 HN ASN 15 -36.371 -2.449 -4.708 115 HA ASN 15 HA ASN 15 -37.465 -0.675 -6.724 116 1HB ASN 15 HB2 ASN 15 -39.383 -1.322 -5.102 117 2HB ASN 15 HB1 ASN 15 -38.539 -0.335 -3.914 118 1HD2 ASN 15 HD22 ASN 15 -41.078 1.689 -5.860 119 2HD2 ASN 15 HD21 ASN 15 -41.152 0.160 -5.029 120 H LYS 16 HN LYS 16 -34.951 -0.711 -6.462 121 HA LYS 16 HA LYS 16 -34.246 1.631 -4.831 122 1HB LYS 16 HB2 LYS 16 -32.848 -1.037 -4.751 123 2HB LYS 16 HB1 LYS 16 -32.042 0.451 -4.283 124 1HG LYS 16 HG2 LYS 16 -34.656 -0.378 -3.043 125 2HG LYS 16 HG1 LYS 16 -33.111 -0.943 -2.423 126 1HD LYS 16 HD2 LYS 16 -32.406 1.254 -1.870 127 2HD LYS 16 HD1 LYS 16 -33.691 1.992 -2.819 128 1HE LYS 16 HE2 LYS 16 -34.125 2.076 -0.370 129 2HE LYS 16 HE1 LYS 16 -35.371 1.209 -1.263 130 1HZ LYS 16 HZ2 LYS 16 -33.105 -0.251 -0.067 131 2HZ LYS 16 HZ1 LYS 16 -34.455 0.193 0.883 132 3HZ LYS 16 HZ3 LYS 16 -34.663 -0.815 -0.475 133 H LYS 17 HN LYS 17 -32.990 3.020 -5.817 134 HA LYS 17 HA LYS 17 -31.634 2.248 -8.338 135 1HB LYS 17 HB2 LYS 17 -32.754 4.940 -7.517 136 2HB LYS 17 HB1 LYS 17 -31.830 4.629 -8.981 137 1HG LYS 17 HG2 LYS 17 -34.461 3.291 -8.295 138 2HG LYS 17 HG1 LYS 17 -34.312 4.703 -9.331 139 1HD LYS 17 HD2 LYS 17 -33.184 1.945 -9.854 140 2HD LYS 17 HD1 LYS 17 -34.492 2.744 -10.719 141 1HE LYS 17 HE2 LYS 17 -32.598 4.592 -11.097 142 2HE LYS 17 HE1 LYS 17 -31.548 3.195 -10.891 143 1HZ LYS 17 HZ1 LYS 17 -33.501 2.324 -12.582 144 2HZ LYS 17 HZ3 LYS 17 -33.211 3.919 -13.100 145 3HZ LYS 17 HZ2 LYS 17 -31.921 2.804 -13.024 146 H ALA 18 HN ALA 18 -29.548 2.005 -7.881 147 HA ALA 18 HA ALA 18 -28.244 3.047 -5.593 148 1HB ALA 18 HB3 ALA 18 -27.121 1.899 -8.144 149 2HB ALA 18 HB2 ALA 18 -26.191 2.180 -6.669 150 3HB ALA 18 HB1 ALA 18 -27.508 1.005 -6.679 151 H SER 19 HN SER 19 -27.502 5.005 -5.226 152 HA SER 19 HA SER 19 -26.971 6.850 -7.487 153 1HB SER 19 HB2 SER 19 -27.575 7.550 -4.607 154 2HB SER 19 HB1 SER 19 -27.502 8.650 -5.981 155 HG SER 19 HG SER 19 -29.273 6.482 -6.137 156 H SER 20 HN SER 20 -25.743 5.667 -4.371 157 HA SER 20 HA SER 20 -23.391 7.275 -4.308 158 1HB SER 20 HB2 SER 20 -23.819 4.596 -2.966 159 2HB SER 20 HB1 SER 20 -22.677 5.858 -2.501 160 HG SER 20 HG SER 20 -24.764 7.198 -2.402 161 H ARG 21 HN ARG 21 -23.899 3.860 -5.265 162 HA ARG 21 HA ARG 21 -21.162 3.575 -6.222 163 1HB ARG 21 HB2 ARG 21 -23.578 1.758 -6.372 164 2HB ARG 21 HB1 ARG 21 -21.979 1.324 -6.969 165 1HG ARG 21 HG2 ARG 21 -21.991 2.326 -4.203 166 2HG ARG 21 HG1 ARG 21 -22.914 0.844 -4.429 167 1HD ARG 21 HD2 ARG 21 -21.048 -0.393 -5.031 168 2HD ARG 21 HD1 ARG 21 -20.164 1.016 -5.613 169 HE ARG 21 HE ARG 21 -20.299 1.571 -2.988 170 1HH1 ARG 21 HH11 ARG 21 -20.713 -1.642 -3.097 171 2HH1 ARG 21 HH12 ARG 21 -19.118 -2.134 -2.573 172 1HH2 ARG 21 HH21 ARG 21 -17.689 1.049 -3.058 173 2HH2 ARG 21 HH22 ARG 21 -17.401 -0.586 -2.510 174 H SER 22 HN SER 22 -21.751 5.623 -7.580 175 HA SER 22 HA SER 22 -22.811 4.843 -10.233 176 1HB SER 22 HB2 SER 22 -22.574 7.530 -8.862 177 2HB SER 22 HB1 SER 22 -22.944 7.360 -10.574 178 HG SER 22 HG SER 22 -24.520 6.795 -8.337 179 H TRP 23 HN TRP 23 -21.089 4.059 -11.291 180 HA TRP 23 HA TRP 23 -19.101 3.889 -12.361 181 1HB TRP 23 HB2 TRP 23 -19.560 6.870 -12.475 182 2HB TRP 23 HB1 TRP 23 -18.163 6.120 -13.240 183 HD1 TRP 23 HD1 TRP 23 -21.423 7.279 -14.269 184 HE1 TRP 23 HE1 TRP 23 -22.346 5.942 -16.246 185 HE3 TRP 23 HE3 TRP 23 -18.250 3.279 -14.170 186 HZ2 TRP 23 HZ2 TRP 23 -21.818 3.524 -17.603 187 HZ3 TRP 23 HZ3 TRP 23 -18.489 1.502 -15.820 188 HH2 TRP 23 HH2 TRP 23 -20.259 1.609 -17.539 189 H HIS 24 HN HIS 24 -18.161 2.994 -10.500 190 HA HIS 24 HA HIS 24 -16.130 4.694 -9.189 191 1HB HIS 24 HB2 HIS 24 -17.940 3.673 -7.733 192 2HB HIS 24 HB1 HIS 24 -17.317 2.093 -8.186 193 HD1 HIS 24 HD1 HIS 24 -15.921 5.281 -6.648 194 HD2 HIS 24 HD2 HIS 24 -15.478 1.177 -6.460 195 HE1 HIS 24 HE1 HIS 24 -14.273 4.894 -4.797 196 H ASN 25 HN ASN 25 -14.063 4.176 -9.658 197 HA ASN 25 HA ASN 25 -13.444 2.064 -11.509 198 1HB ASN 25 HB2 ASN 25 -12.242 4.434 -10.863 199 2HB ASN 25 HB1 ASN 25 -11.201 3.301 -10.005 200 1HD2 ASN 25 HD22 ASN 25 -10.526 3.849 -13.821 201 2HD2 ASN 25 HD21 ASN 25 -11.209 4.964 -12.672 202 H VAL 26 HN VAL 26 -13.150 -0.005 -11.002 203 HA VAL 26 HA VAL 26 -11.955 -0.744 -8.414 204 HB VAL 26 HB VAL 26 -14.568 -0.764 -8.517 205 1HG1 VAL 26 HG11 VAL 26 -14.564 -2.094 -10.675 206 2HG1 VAL 26 HG13 VAL 26 -14.090 -3.488 -9.703 207 3HG1 VAL 26 HG12 VAL 26 -15.627 -2.677 -9.392 208 1HG2 VAL 26 HG21 VAL 26 -12.904 -1.821 -6.810 209 2HG2 VAL 26 HG23 VAL 26 -14.610 -2.261 -6.780 210 3HG2 VAL 26 HG22 VAL 26 -13.435 -3.340 -7.531 211 H TYR 27 HN TYR 27 -11.247 -3.003 -8.380 212 HA TYR 27 HA TYR 27 -10.239 -3.874 -11.023 213 1HB TYR 27 HB2 TYR 27 -8.721 -3.279 -8.983 214 2HB TYR 27 HB1 TYR 27 -9.220 -4.840 -8.364 215 HD1 TYR 27 HD2 TYR 27 -8.626 -6.920 -9.604 216 HD2 TYR 27 HD1 TYR 27 -7.176 -3.084 -10.769 217 HE1 TYR 27 HE2 TYR 27 -6.875 -7.992 -10.971 218 HE2 TYR 27 HE1 TYR 27 -5.429 -4.146 -12.124 219 HH TYR 27 HH TYR 27 -4.576 -7.359 -11.840 220 H CYS 28 HN CYS 28 -11.161 -5.642 -11.879 221 HA CYS 28 HA CYS 28 -12.701 -7.458 -10.105 222 1HB CYS 28 HB2 CYS 28 -13.055 -7.035 -13.075 223 2HB CYS 28 HB1 CYS 28 -14.098 -7.957 -11.997 224 HG CYS 28 HG CYS 28 -13.838 -4.953 -11.366 225 H VAL 29 HN VAL 29 -12.262 -9.581 -10.084 226 HA VAL 29 HA VAL 29 -10.376 -10.722 -12.061 227 HB VAL 29 HB VAL 29 -10.291 -11.154 -9.065 228 1HG1 VAL 29 HG13 VAL 29 -9.042 -12.574 -11.358 229 2HG1 VAL 29 HG12 VAL 29 -8.036 -12.296 -9.935 230 3HG1 VAL 29 HG11 VAL 29 -9.551 -13.187 -9.784 231 1HG2 VAL 29 HG21 VAL 29 -8.862 -9.316 -10.849 232 2HG2 VAL 29 HG23 VAL 29 -9.057 -9.272 -9.099 233 3HG2 VAL 29 HG22 VAL 29 -7.806 -10.284 -9.824 234 H ILE 30 HN ILE 30 -11.379 -12.309 -13.068 235 HA ILE 30 HA ILE 30 -13.707 -13.645 -11.885 236 HB ILE 30 HB ILE 30 -12.496 -13.718 -14.658 237 1HG1 ILE 30 HG12 ILE 30 -15.147 -12.555 -13.795 238 2HG1 ILE 30 HG11 ILE 30 -13.669 -11.600 -13.848 239 1HG2 ILE 30 HG23 ILE 30 -14.769 -15.239 -13.440 240 2HG2 ILE 30 HG22 ILE 30 -14.861 -14.753 -15.132 241 3HG2 ILE 30 HG21 ILE 30 -13.538 -15.783 -14.580 242 1HD1 ILE 30 HD11 ILE 30 -14.726 -13.136 -16.222 243 2HD1 ILE 30 HD13 ILE 30 -15.119 -11.446 -15.905 244 3HD1 ILE 30 HD12 ILE 30 -13.445 -11.919 -16.209 245 H ASN 31 HN ASN 31 -13.789 -15.710 -11.300 246 HA ASN 31 HA ASN 31 -11.514 -17.517 -11.797 247 1HB ASN 31 HB2 ASN 31 -11.309 -16.504 -9.505 248 2HB ASN 31 HB1 ASN 31 -12.881 -17.188 -9.105 249 1HD2 ASN 31 HD22 ASN 31 -11.084 -19.915 -7.827 250 2HD2 ASN 31 HD21 ASN 31 -12.057 -18.517 -7.496 251 H ASN 32 HN ASN 32 -13.040 -18.165 -13.449 252 HA ASN 32 HA ASN 32 -14.523 -19.608 -14.373 253 1HB ASN 32 HB2 ASN 32 -14.259 -20.886 -11.652 254 2HB ASN 32 HB1 ASN 32 -15.381 -21.524 -12.848 255 1HD2 ASN 32 HD22 ASN 32 -12.791 -22.497 -15.145 256 2HD2 ASN 32 HD21 ASN 32 -14.379 -21.790 -15.099 257 H GLN 33 HN GLN 33 -16.329 -20.337 -11.568 258 HA GLN 33 HA GLN 33 -18.670 -18.973 -12.636 259 1HB GLN 33 HB2 GLN 33 -19.827 -20.250 -10.795 260 2HB GLN 33 HB1 GLN 33 -18.993 -21.231 -11.998 261 1HG GLN 33 HG2 GLN 33 -17.218 -21.738 -10.521 262 2HG GLN 33 HG1 GLN 33 -17.635 -20.433 -9.412 263 1HE2 GLN 33 HE22 GLN 33 -19.173 -22.878 -7.429 264 2HE2 GLN 33 HE21 GLN 33 -17.929 -21.672 -7.592 265 H GLU 34 HN GLU 34 -16.277 -18.031 -10.446 266 HA GLU 34 HA GLU 34 -18.137 -16.134 -9.152 267 1HB GLU 34 HB2 GLU 34 -16.949 -18.297 -7.845 268 2HB GLU 34 HB1 GLU 34 -15.930 -16.929 -7.415 269 1HG GLU 34 HG2 GLU 34 -18.013 -15.693 -6.740 270 2HG GLU 34 HG1 GLU 34 -18.927 -17.175 -7.021 271 H MET 35 HN MET 35 -17.356 -14.101 -8.798 272 HA MET 35 HA MET 35 -14.585 -13.528 -9.682 273 1HB MET 35 HB2 MET 35 -15.309 -11.453 -10.658 274 2HB MET 35 HB1 MET 35 -16.260 -12.759 -11.349 275 1HG MET 35 HG2 MET 35 -18.199 -12.116 -10.232 276 2HG MET 35 HG1 MET 35 -17.325 -11.236 -8.990 277 1HE MET 35 HE3 MET 35 -19.840 -10.051 -10.179 278 2HE MET 35 HE2 MET 35 -19.672 -8.915 -11.515 279 3HE MET 35 HE1 MET 35 -19.681 -10.644 -11.837 280 H GLY 36 HN GLY 36 -13.693 -11.546 -8.725 281 1HA GLY 36 HA2 GLY 36 -14.847 -10.886 -6.087 282 2HA GLY 36 HA1 GLY 36 -13.156 -11.334 -6.240 283 H PHE 37 HN PHE 37 -14.821 -8.777 -5.609 284 HA PHE 37 HA PHE 37 -13.661 -6.895 -7.549 285 1HB PHE 37 HB2 PHE 37 -15.650 -6.539 -5.297 286 2HB PHE 37 HB1 PHE 37 -15.020 -5.210 -6.263 287 HD1 PHE 37 HD1 PHE 37 -15.346 -5.332 -8.808 288 HD2 PHE 37 HD2 PHE 37 -17.512 -7.747 -6.026 289 HE1 PHE 37 HE1 PHE 37 -17.082 -5.744 -10.510 290 HE2 PHE 37 HE2 PHE 37 -19.246 -8.150 -7.727 291 HZ PHE 37 HZ PHE 37 -19.022 -7.155 -9.977 292 H TYR 38 HN TYR 38 -11.721 -6.081 -7.146 293 HA TYR 38 HA TYR 38 -10.778 -5.788 -4.340 294 1HB TYR 38 HB2 TYR 38 -9.184 -6.348 -6.854 295 2HB TYR 38 HB1 TYR 38 -8.504 -6.086 -5.256 296 HD1 TYR 38 HD2 TYR 38 -10.359 -8.392 -7.389 297 HD2 TYR 38 HD1 TYR 38 -8.679 -7.768 -3.521 298 HE1 TYR 38 HE2 TYR 38 -10.582 -10.796 -6.909 299 HE2 TYR 38 HE1 TYR 38 -8.905 -10.170 -3.037 300 HH TYR 38 HH TYR 38 -9.246 -12.212 -3.966 301 H LYS 39 HN LYS 39 -8.928 -4.139 -4.223 302 HA LYS 39 HA LYS 39 -9.922 -1.591 -5.171 303 1HB LYS 39 HB2 LYS 39 -8.832 -2.137 -2.892 304 2HB LYS 39 HB1 LYS 39 -7.302 -2.049 -3.755 305 1HG LYS 39 HG2 LYS 39 -7.575 0.238 -4.252 306 2HG LYS 39 HG1 LYS 39 -9.302 0.202 -3.897 307 1HD LYS 39 HD2 LYS 39 -8.828 -0.127 -1.523 308 2HD LYS 39 HD1 LYS 39 -7.100 -0.192 -1.851 309 1HE LYS 39 HE2 LYS 39 -8.829 2.204 -2.486 310 2HE LYS 39 HE1 LYS 39 -7.961 2.006 -0.966 311 1HZ LYS 39 HZ3 LYS 39 -6.116 1.536 -2.984 312 2HZ LYS 39 HZ2 LYS 39 -6.994 2.928 -3.452 313 3HZ LYS 39 HZ1 LYS 39 -6.209 2.879 -1.938 314 H ASP 40 HN ASP 40 -7.064 -3.611 -5.756 315 HA ASP 40 HA ASP 40 -6.702 -2.557 -8.410 316 1HB ASP 40 HB2 ASP 40 -4.525 -1.595 -8.133 317 2HB ASP 40 HB1 ASP 40 -5.587 -0.823 -6.967 318 H ALA 41 HN ALA 41 -4.170 -3.392 -8.966 319 HA ALA 41 HA ALA 41 -4.446 -6.205 -9.234 320 1HB ALA 41 HB3 ALA 41 -3.185 -4.839 -10.832 321 2HB ALA 41 HB2 ALA 41 -1.981 -4.481 -9.589 322 3HB ALA 41 HB1 ALA 41 -2.182 -6.135 -10.181 323 H LYS 42 HN LYS 42 -2.576 -4.211 -6.979 324 HA LYS 42 HA LYS 42 -1.071 -6.284 -5.755 325 1HB LYS 42 HB2 LYS 42 -1.998 -3.644 -4.591 326 2HB LYS 42 HB1 LYS 42 -0.742 -4.676 -3.915 327 1HG LYS 42 HG2 LYS 42 0.684 -4.320 -5.815 328 2HG LYS 42 HG1 LYS 42 -0.598 -3.497 -6.702 329 1HD LYS 42 HD2 LYS 42 -0.500 -1.597 -5.319 330 2HD LYS 42 HD1 LYS 42 0.387 -2.447 -4.060 331 1HE LYS 42 HE2 LYS 42 1.861 -0.919 -5.262 332 2HE LYS 42 HE1 LYS 42 2.358 -2.587 -5.519 333 1HZ LYS 42 HZ2 LYS 42 0.486 -1.602 -7.482 334 2HZ LYS 42 HZ1 LYS 42 1.966 -0.755 -7.454 335 3HZ LYS 42 HZ3 LYS 42 1.954 -2.444 -7.692 336 H SER 43 HN SER 43 -4.206 -4.812 -4.982 337 HA SER 43 HA SER 43 -4.774 -6.284 -2.622 338 1HB SER 43 HB2 SER 43 -6.728 -5.125 -4.616 339 2HB SER 43 HB1 SER 43 -7.066 -5.543 -2.937 340 HG SER 43 HG SER 43 -5.358 -3.487 -3.934 341 H ALA 44 HN ALA 44 -5.337 -6.938 -6.047 342 HA ALA 44 HA ALA 44 -6.966 -9.272 -5.693 343 1HB ALA 44 HB1 ALA 44 -6.860 -7.831 -7.770 344 2HB ALA 44 HB3 ALA 44 -5.297 -8.576 -8.118 345 3HB ALA 44 HB2 ALA 44 -6.756 -9.568 -8.050 346 H ALA 45 HN ALA 45 -3.504 -8.748 -6.343 347 HA ALA 45 HA ALA 45 -2.750 -11.483 -6.545 348 1HB ALA 45 HB3 ALA 45 -1.271 -8.913 -6.071 349 2HB ALA 45 HB2 ALA 45 -0.430 -10.454 -5.912 350 3HB ALA 45 HB1 ALA 45 -1.184 -10.015 -7.445 351 H SER 46 HN SER 46 -2.654 -9.190 -3.831 352 HA SER 46 HA SER 46 -1.591 -11.050 -1.929 353 1HB SER 46 HB2 SER 46 -1.658 -8.416 -1.926 354 2HB SER 46 HB1 SER 46 -3.202 -8.654 -1.120 355 HG SER 46 HG SER 46 -2.208 -9.572 0.595 356 H GLY 47 HN GLY 47 -4.848 -10.033 -2.855 357 1HA GLY 47 HA2 GLY 47 -6.808 -11.296 -2.665 358 2HA GLY 47 HA1 GLY 47 -5.995 -12.378 -1.539 359 H ILE 48 HN ILE 48 -6.576 -8.861 -1.601 360 HA ILE 48 HA ILE 48 -7.499 -8.970 1.198 361 HB ILE 48 HB ILE 48 -7.037 -6.389 -0.252 362 1HG1 ILE 48 HG12 ILE 48 -4.825 -8.195 0.778 363 2HG1 ILE 48 HG11 ILE 48 -5.050 -7.648 -0.882 364 1HG2 ILE 48 HG22 ILE 48 -6.544 -7.328 2.580 365 2HG2 ILE 48 HG21 ILE 48 -6.239 -5.698 1.984 366 3HG2 ILE 48 HG23 ILE 48 -7.888 -6.329 2.021 367 1HD1 ILE 48 HD12 ILE 48 -4.930 -5.255 0.332 368 2HD1 ILE 48 HD11 ILE 48 -3.955 -6.197 1.462 369 3HD1 ILE 48 HD13 ILE 48 -3.495 -6.109 -0.237 370 HA PRO 49 HA PRO 49 -11.647 -8.490 -0.429 371 1HB PRO 49 HB2 PRO 49 -12.934 -8.086 1.938 372 2HB PRO 49 HB1 PRO 49 -12.407 -9.673 1.363 373 1HG PRO 49 HG2 PRO 49 -11.138 -7.864 3.367 374 2HG PRO 49 HG1 PRO 49 -11.293 -9.628 3.386 375 1HD PRO 49 HD2 PRO 49 -8.995 -8.321 2.689 376 2HD PRO 49 HD1 PRO 49 -9.433 -9.927 2.072 377 H TYR 50 HN TYR 50 -12.658 -6.737 -1.270 378 HA TYR 50 HA TYR 50 -11.813 -4.075 -0.522 379 1HB TYR 50 HB2 TYR 50 -12.227 -4.890 -2.882 380 2HB TYR 50 HB1 TYR 50 -13.946 -4.815 -2.522 381 HD1 TYR 50 HD1 TYR 50 -11.049 -2.532 -1.805 382 HD2 TYR 50 HD2 TYR 50 -14.910 -2.988 -3.578 383 HE1 TYR 50 HE1 TYR 50 -11.061 -0.149 -2.409 384 HE2 TYR 50 HE2 TYR 50 -14.913 -0.598 -4.180 385 HH TYR 50 HH TYR 50 -13.795 1.324 -4.141 386 H HIS 51 HN HIS 51 -13.677 -5.860 1.183 387 HA HIS 51 HA HIS 51 -15.244 -5.538 2.775 388 1HB HIS 51 HB2 HIS 51 -14.879 -2.636 2.036 389 2HB HIS 51 HB1 HIS 51 -15.825 -3.197 3.409 390 HD1 HIS 51 HD1 HIS 51 -14.513 -4.284 5.371 391 HD2 HIS 51 HD2 HIS 51 -12.090 -2.757 2.399 392 HE1 HIS 51 HE1 HIS 51 -12.227 -4.191 6.391 393 H SER 52 HN SER 52 -17.426 -4.853 3.264 394 HA SER 52 HA SER 52 -19.655 -4.737 2.895 395 1HB SER 52 HB2 SER 52 -19.054 -3.504 0.202 396 2HB SER 52 HB1 SER 52 -20.517 -3.339 1.165 397 HG SER 52 HG SER 52 -18.675 -2.570 2.793 398 H GLU 53 HN GLU 53 -18.371 -5.531 -0.354 399 HA GLU 53 HA GLU 53 -19.471 -8.199 -0.264 400 1HB GLU 53 HB2 GLU 53 -20.783 -7.681 -2.481 401 2HB GLU 53 HB1 GLU 53 -21.532 -7.380 -0.919 402 1HG GLU 53 HG2 GLU 53 -21.014 -5.003 -1.073 403 2HG GLU 53 HG1 GLU 53 -20.119 -5.266 -2.568 404 H VAL 54 HN VAL 54 -17.516 -9.005 -0.790 405 HA VAL 54 HA VAL 54 -16.070 -7.919 -3.114 406 HB VAL 54 HB VAL 54 -15.058 -10.040 -1.237 407 1HG1 VAL 54 HG11 VAL 54 -13.996 -9.037 -3.553 408 2HG1 VAL 54 HG13 VAL 54 -13.235 -8.027 -2.326 409 3HG1 VAL 54 HG12 VAL 54 -13.072 -9.782 -2.249 410 1HG2 VAL 54 HG21 VAL 54 -15.028 -7.047 -0.860 411 2HG2 VAL 54 HG23 VAL 54 -15.721 -8.260 0.218 412 3HG2 VAL 54 HG22 VAL 54 -13.977 -8.158 0.011 413 HA PRO 55 HA PRO 55 -16.617 -12.422 -4.508 414 1HB PRO 55 HB2 PRO 55 -17.962 -14.229 -2.998 415 2HB PRO 55 HB1 PRO 55 -16.250 -13.854 -2.784 416 1HG PRO 55 HG2 PRO 55 -18.534 -13.163 -1.081 417 2HG PRO 55 HG1 PRO 55 -16.813 -13.233 -0.683 418 1HD PRO 55 HD2 PRO 55 -18.419 -10.923 -1.277 419 2HD PRO 55 HD1 PRO 55 -16.707 -10.985 -0.830 420 H VAL 56 HN VAL 56 -17.956 -12.486 -6.198 421 HA VAL 56 HA VAL 56 -20.881 -12.618 -5.795 422 HB VAL 56 HB VAL 56 -19.474 -10.780 -7.752 423 1HG1 VAL 56 HG11 VAL 56 -22.343 -11.582 -7.423 424 2HG1 VAL 56 HG13 VAL 56 -21.933 -9.980 -8.039 425 3HG1 VAL 56 HG12 VAL 56 -21.390 -11.422 -8.898 426 1HG2 VAL 56 HG22 VAL 56 -20.927 -10.299 -5.165 427 2HG2 VAL 56 HG21 VAL 56 -19.378 -9.653 -5.710 428 3HG2 VAL 56 HG23 VAL 56 -20.883 -9.058 -6.414 429 H SER 57 HN SER 57 -21.851 -14.095 -7.095 430 HA SER 57 HA SER 57 -20.239 -15.870 -8.668 431 1HB SER 57 HB2 SER 57 -23.215 -15.925 -8.493 432 2HB SER 57 HB1 SER 57 -22.095 -17.258 -8.653 433 HG SER 57 HG SER 57 -22.791 -15.762 -6.377 434 H LEU 58 HN LEU 58 -20.216 -16.171 -10.844 435 HA LEU 58 HA LEU 58 -21.677 -14.218 -12.547 436 1HB LEU 58 HB2 LEU 58 -18.914 -15.346 -12.661 437 2HB LEU 58 HB1 LEU 58 -19.722 -14.988 -14.185 438 HG LEU 58 HG LEU 58 -19.299 -13.056 -11.918 439 1HD1 LEU 58 HD23 LEU 58 -17.239 -13.634 -13.150 440 2HD1 LEU 58 HD22 LEU 58 -18.021 -13.143 -14.656 441 3HD1 LEU 58 HD21 LEU 58 -17.709 -11.951 -13.390 442 1HD2 LEU 58 HD13 LEU 58 -20.938 -12.939 -14.375 443 2HD2 LEU 58 HD12 LEU 58 -21.121 -12.079 -12.847 444 3HD2 LEU 58 HD11 LEU 58 -19.953 -11.515 -14.039 445 H LYS 59 HN LYS 59 -21.798 -17.358 -11.616 446 HA LYS 59 HA LYS 59 -22.022 -18.796 -14.047 447 1HB LYS 59 HB2 LYS 59 -22.095 -19.405 -11.317 448 2HB LYS 59 HB1 LYS 59 -23.683 -19.876 -11.910 449 1HG LYS 59 HG2 LYS 59 -22.480 -21.107 -13.778 450 2HG LYS 59 HG1 LYS 59 -20.982 -20.793 -12.908 451 1HD LYS 59 HD2 LYS 59 -21.446 -22.816 -11.972 452 2HD LYS 59 HD1 LYS 59 -22.443 -21.835 -10.898 453 1HE LYS 59 HE2 LYS 59 -24.424 -22.337 -12.151 454 2HE LYS 59 HE1 LYS 59 -23.489 -23.081 -13.441 455 1HZ LYS 59 HZ2 LYS 59 -23.281 -24.183 -10.729 456 2HZ LYS 59 HZ1 LYS 59 -24.670 -24.530 -11.666 457 3HZ LYS 59 HZ3 LYS 59 -23.126 -24.960 -12.239 458 H GLU 60 HN GLU 60 -23.569 -18.797 -15.528 459 HA GLU 60 HA GLU 60 -25.520 -18.453 -16.660 460 1HB GLU 60 HB2 GLU 60 -26.923 -18.481 -13.982 461 2HB GLU 60 HB1 GLU 60 -27.610 -18.834 -15.561 462 1HG GLU 60 HG2 GLU 60 -26.045 -20.799 -15.718 463 2HG GLU 60 HG1 GLU 60 -25.592 -20.499 -14.039 464 H ALA 61 HN ALA 61 -24.007 -16.212 -16.150 465 HA ALA 61 HA ALA 61 -25.826 -14.073 -15.278 466 1HB ALA 61 HB2 ALA 61 -22.902 -14.003 -16.091 467 2HB ALA 61 HB1 ALA 61 -23.835 -12.621 -15.506 468 3HB ALA 61 HB3 ALA 61 -23.532 -13.995 -14.441 469 H ILE 62 HN ILE 62 -26.904 -12.832 -16.671 470 HA ILE 62 HA ILE 62 -26.532 -13.200 -19.558 471 HB ILE 62 HB ILE 62 -28.599 -11.550 -18.087 472 1HG1 ILE 62 HG12 ILE 62 -28.689 -14.431 -19.004 473 2HG1 ILE 62 HG11 ILE 62 -28.846 -13.830 -17.357 474 1HG2 ILE 62 HG22 ILE 62 -28.190 -11.045 -20.525 475 2HG2 ILE 62 HG21 ILE 62 -28.719 -12.688 -20.881 476 3HG2 ILE 62 HG23 ILE 62 -29.832 -11.551 -20.131 477 1HD1 ILE 62 HD11 ILE 62 -30.919 -12.609 -18.086 478 2HD1 ILE 62 HD13 ILE 62 -30.793 -13.453 -19.633 479 3HD1 ILE 62 HD12 ILE 62 -31.043 -14.369 -18.147 480 H CYS 63 HN CYS 63 -25.810 -11.571 -20.910 481 HA CYS 63 HA CYS 63 -25.049 -9.004 -19.665 482 1HB CYS 63 HB2 CYS 63 -23.172 -10.782 -19.830 483 2HB CYS 63 HB1 CYS 63 -23.184 -10.415 -21.546 484 HG CYS 63 HG CYS 63 -22.904 -7.898 -19.881 485 H GLU 64 HN GLU 64 -25.116 -7.251 -20.926 486 HA GLU 64 HA GLU 64 -26.015 -7.518 -23.738 487 1HB GLU 64 HB2 GLU 64 -27.482 -6.471 -21.564 488 2HB GLU 64 HB1 GLU 64 -26.924 -5.067 -22.464 489 1HG GLU 64 HG2 GLU 64 -28.149 -7.360 -23.962 490 2HG GLU 64 HG1 GLU 64 -29.199 -6.256 -23.079 491 H VAL 65 HN VAL 65 -25.520 -5.552 -25.030 492 HA VAL 65 HA VAL 65 -22.925 -4.367 -24.195 493 HB VAL 65 HB VAL 65 -24.054 -4.564 -26.992 494 1HG1 VAL 65 HG13 VAL 65 -21.410 -3.736 -25.836 495 2HG1 VAL 65 HG12 VAL 65 -21.513 -4.366 -27.481 496 3HG1 VAL 65 HG11 VAL 65 -22.404 -2.910 -27.034 497 1HG2 VAL 65 HG22 VAL 65 -22.282 -6.469 -25.479 498 2HG2 VAL 65 HG21 VAL 65 -23.778 -6.820 -26.349 499 3HG2 VAL 65 HG23 VAL 65 -22.311 -6.407 -27.242 500 H ALA 66 HN ALA 66 -22.670 -2.198 -24.147 501 HA ALA 66 HA ALA 66 -24.880 -0.434 -25.024 502 1HB ALA 66 HB3 ALA 66 -25.002 -0.752 -22.555 503 2HB ALA 66 HB2 ALA 66 -23.350 -0.151 -22.418 504 3HB ALA 66 HB1 ALA 66 -24.629 0.909 -23.008 505 H LEU 67 HN LEU 67 -23.499 -0.202 -26.886 506 HA LEU 67 HA LEU 67 -20.836 0.832 -26.717 507 1HB LEU 67 HB2 LEU 67 -21.690 -0.442 -28.649 508 2HB LEU 67 HB1 LEU 67 -22.791 0.874 -29.026 509 HG LEU 67 HG LEU 67 -20.892 2.375 -29.395 510 1HD1 LEU 67 HD11 LEU 67 -19.334 -0.025 -28.518 511 2HD1 LEU 67 HD13 LEU 67 -18.614 1.144 -29.626 512 3HD1 LEU 67 HD12 LEU 67 -19.159 1.665 -28.032 513 1HD2 LEU 67 HD22 LEU 67 -21.061 -0.186 -30.929 514 2HD2 LEU 67 HD21 LEU 67 -21.585 1.434 -31.391 515 3HD2 LEU 67 HD23 LEU 67 -19.865 1.035 -31.372 516 H ASP 68 HN ASP 68 -23.983 2.327 -27.426 517 HA ASP 68 HA ASP 68 -22.770 5.016 -27.240 518 1HB ASP 68 HB2 ASP 68 -24.081 4.332 -29.283 519 2HB ASP 68 HB1 ASP 68 -25.513 4.256 -28.263 520 H TYR 69 HN TYR 69 -22.711 4.429 -24.835 521 HA TYR 69 HA TYR 69 -25.292 5.035 -23.498 522 1HB TYR 69 HB2 TYR 69 -23.954 2.945 -22.879 523 2HB TYR 69 HB1 TYR 69 -22.758 4.029 -22.184 524 HD1 TYR 69 HD1 TYR 69 -26.472 3.554 -22.116 525 HD2 TYR 69 HD2 TYR 69 -22.915 4.394 -19.907 526 HE1 TYR 69 HE1 TYR 69 -27.787 3.659 -20.038 527 HE2 TYR 69 HE2 TYR 69 -24.237 4.501 -17.830 528 HH TYR 69 HH TYR 69 -27.669 4.606 -17.844 529 H LYS 70 HN LYS 70 -24.239 6.013 -21.085 530 HA LYS 70 HA LYS 70 -23.600 8.746 -21.803 531 1HB LYS 70 HB2 LYS 70 -23.952 7.367 -19.131 532 2HB LYS 70 HB1 LYS 70 -23.651 9.092 -19.314 533 1HG LYS 70 HG2 LYS 70 -25.785 9.524 -19.864 534 2HG LYS 70 HG1 LYS 70 -25.853 8.184 -20.999 535 1HD LYS 70 HD2 LYS 70 -27.040 6.953 -19.551 536 2HD LYS 70 HD1 LYS 70 -25.800 7.138 -18.319 537 1HE LYS 70 HE2 LYS 70 -27.934 7.962 -17.491 538 2HE LYS 70 HE1 LYS 70 -26.788 9.289 -17.649 539 1HZ LYS 70 HZ2 LYS 70 -27.838 9.692 -19.898 540 2HZ LYS 70 HZ1 LYS 70 -29.084 8.635 -19.396 541 3HZ LYS 70 HZ3 LYS 70 -28.787 10.073 -18.530 542 H LYS 71 HN LYS 71 -21.636 7.239 -22.766 543 HA LYS 71 HA LYS 71 -19.245 8.342 -21.794 544 1HB LYS 71 HB2 LYS 71 -20.043 5.880 -20.466 545 2HB LYS 71 HB1 LYS 71 -18.572 5.613 -21.392 546 1HG LYS 71 HG2 LYS 71 -18.854 7.981 -19.545 547 2HG LYS 71 HG1 LYS 71 -18.342 6.400 -18.954 548 1HD LYS 71 HD2 LYS 71 -16.549 6.464 -20.771 549 2HD LYS 71 HD1 LYS 71 -16.958 8.164 -20.978 550 1HE LYS 71 HE2 LYS 71 -16.098 8.771 -18.925 551 2HE LYS 71 HE1 LYS 71 -16.385 7.188 -18.212 552 1HZ LYS 71 HZ3 LYS 71 -14.298 7.731 -20.258 553 2HZ LYS 71 HZ2 LYS 71 -14.021 7.721 -18.573 554 3HZ LYS 71 HZ1 LYS 71 -14.523 6.298 -19.368 555 H LYS 72 HN LYS 72 -18.352 8.636 -23.775 556 HA LYS 72 HA LYS 72 -19.019 6.861 -25.968 557 1HB LYS 72 HB2 LYS 72 -17.475 8.408 -27.271 558 2HB LYS 72 HB1 LYS 72 -18.941 9.111 -26.607 559 1HG LYS 72 HG2 LYS 72 -17.759 10.208 -24.871 560 2HG LYS 72 HG1 LYS 72 -16.300 9.269 -25.160 561 1HD LYS 72 HD2 LYS 72 -17.485 11.354 -27.002 562 2HD LYS 72 HD1 LYS 72 -16.032 11.526 -26.023 563 1HE LYS 72 HE2 LYS 72 -15.022 10.953 -27.987 564 2HE LYS 72 HE1 LYS 72 -15.328 9.329 -27.386 565 1HZ LYS 72 HZ2 LYS 72 -17.615 10.149 -28.743 566 2HZ LYS 72 HZ1 LYS 72 -16.288 10.548 -29.734 567 3HZ LYS 72 HZ3 LYS 72 -16.496 8.945 -29.200 568 H LYS 73 HN LYS 73 -18.046 5.033 -24.760 569 HA LYS 73 HA LYS 73 -15.352 4.499 -25.761 570 1HB LYS 73 HB2 LYS 73 -16.220 4.321 -22.873 571 2HB LYS 73 HB1 LYS 73 -14.949 3.268 -23.492 572 1HG LYS 73 HG2 LYS 73 -14.936 6.286 -23.468 573 2HG LYS 73 HG1 LYS 73 -13.947 5.214 -22.483 574 1HD LYS 73 HD2 LYS 73 -13.402 4.341 -25.041 575 2HD LYS 73 HD1 LYS 73 -13.589 6.076 -25.273 576 1HE LYS 73 HE2 LYS 73 -11.876 6.527 -23.612 577 2HE LYS 73 HE1 LYS 73 -11.764 4.814 -23.205 578 1HZ LYS 73 HZ3 LYS 73 -11.252 4.604 -25.745 579 2HZ LYS 73 HZ2 LYS 73 -10.788 6.237 -25.581 580 3HZ LYS 73 HZ1 LYS 73 -10.025 5.026 -24.646 581 H HIS 74 HN HIS 74 -16.504 2.245 -23.527 582 HA HIS 74 HA HIS 74 -18.262 0.783 -25.307 583 1HB HIS 74 HB2 HIS 74 -15.401 0.012 -24.882 584 2HB HIS 74 HB1 HIS 74 -16.590 -1.279 -24.828 585 HD1 HIS 74 HD1 HIS 74 -14.984 1.124 -27.156 586 HD2 HIS 74 HD2 HIS 74 -17.833 -1.860 -27.323 587 HE1 HIS 74 HE1 HIS 74 -15.329 0.703 -29.592 588 H VAL 75 HN VAL 75 -19.834 0.525 -23.838 589 HA VAL 75 HA VAL 75 -19.132 -0.447 -21.125 590 HB VAL 75 HB VAL 75 -21.559 1.123 -22.022 591 1HG1 VAL 75 HG12 VAL 75 -20.673 0.134 -19.319 592 2HG1 VAL 75 HG11 VAL 75 -21.796 1.480 -19.504 593 3HG1 VAL 75 HG13 VAL 75 -22.220 -0.119 -20.128 594 1HG2 VAL 75 HG21 VAL 75 -18.948 1.963 -20.831 595 2HG2 VAL 75 HG23 VAL 75 -19.860 2.691 -22.155 596 3HG2 VAL 75 HG22 VAL 75 -20.411 2.888 -20.487 597 H PHE 76 HN PHE 76 -20.537 -2.042 -20.200 598 HA PHE 76 HA PHE 76 -22.457 -3.343 -21.989 599 1HB PHE 76 HB2 PHE 76 -21.544 -5.594 -21.474 600 2HB PHE 76 HB1 PHE 76 -20.488 -4.615 -22.472 601 HD1 PHE 76 HD1 PHE 76 -18.494 -3.484 -21.381 602 HD2 PHE 76 HD2 PHE 76 -20.775 -6.543 -19.475 603 HE1 PHE 76 HE1 PHE 76 -16.602 -3.955 -19.875 604 HE2 PHE 76 HE2 PHE 76 -18.892 -7.004 -17.958 605 HZ PHE 76 HZ PHE 76 -16.804 -5.719 -18.157 606 H LYS 77 HN LYS 77 -24.107 -4.309 -20.977 607 HA LYS 77 HA LYS 77 -24.475 -3.689 -18.135 608 1HB LYS 77 HB2 LYS 77 -26.315 -2.931 -19.372 609 2HB LYS 77 HB1 LYS 77 -26.315 -4.325 -20.438 610 1HG LYS 77 HG2 LYS 77 -28.231 -4.514 -19.065 611 2HG LYS 77 HG1 LYS 77 -27.100 -5.718 -18.487 612 1HD LYS 77 HD2 LYS 77 -27.790 -4.806 -16.490 613 2HD LYS 77 HD1 LYS 77 -26.399 -3.785 -16.826 614 1HE LYS 77 HE2 LYS 77 -28.255 -2.372 -16.163 615 2HE LYS 77 HE1 LYS 77 -27.927 -2.114 -17.871 616 1HZ LYS 77 HZ1 LYS 77 -30.028 -3.968 -16.907 617 2HZ LYS 77 HZ3 LYS 77 -30.309 -2.325 -17.278 618 3HZ LYS 77 HZ2 LYS 77 -29.780 -3.394 -18.496 619 H LEU 78 HN LEU 78 -24.209 -5.179 -16.627 620 HA LEU 78 HA LEU 78 -24.189 -8.040 -17.392 621 1HB LEU 78 HB2 LEU 78 -22.251 -6.528 -16.091 622 2HB LEU 78 HB1 LEU 78 -23.041 -7.389 -14.778 623 HG LEU 78 HG LEU 78 -21.626 -8.500 -17.184 624 1HD1 LEU 78 HD23 LEU 78 -21.354 -8.877 -14.203 625 2HD1 LEU 78 HD22 LEU 78 -20.475 -9.822 -15.404 626 3HD1 LEU 78 HD21 LEU 78 -20.219 -8.082 -15.293 627 1HD2 LEU 78 HD11 LEU 78 -23.838 -9.735 -15.658 628 2HD2 LEU 78 HD13 LEU 78 -23.277 -10.052 -17.304 629 3HD2 LEU 78 HD12 LEU 78 -22.424 -10.746 -15.920 630 H ARG 79 HN ARG 79 -26.063 -8.964 -16.916 631 HA ARG 79 HA ARG 79 -27.577 -8.147 -14.511 632 1HB ARG 79 HB2 ARG 79 -28.749 -8.147 -16.731 633 2HB ARG 79 HB1 ARG 79 -28.469 -9.878 -16.834 634 1HG ARG 79 HG2 ARG 79 -29.617 -9.551 -14.315 635 2HG ARG 79 HG1 ARG 79 -30.481 -8.388 -15.312 636 1HD ARG 79 HD2 ARG 79 -30.112 -11.105 -16.464 637 2HD ARG 79 HD1 ARG 79 -31.211 -10.975 -15.094 638 HE ARG 79 HE ARG 79 -31.516 -9.365 -17.592 639 1HH1 ARG 79 HH21 ARG 79 -33.046 -9.266 -14.732 640 2HH1 ARG 79 HH22 ARG 79 -34.604 -9.869 -15.243 641 1HH2 ARG 79 HH11 ARG 79 -33.391 -11.022 -18.368 642 2HH2 ARG 79 HH12 ARG 79 -34.800 -10.892 -17.337 643 H LEU 80 HN LEU 80 -26.663 -9.235 -12.876 644 HA LEU 80 HA LEU 80 -25.569 -11.865 -13.035 645 1HB LEU 80 HB2 LEU 80 -26.450 -10.348 -10.561 646 2HB LEU 80 HB1 LEU 80 -25.319 -11.691 -10.622 647 HG LEU 80 HG LEU 80 -24.921 -8.939 -11.792 648 1HD1 LEU 80 HD12 LEU 80 -24.650 -9.097 -9.359 649 2HD1 LEU 80 HD11 LEU 80 -23.475 -10.391 -9.580 650 3HD1 LEU 80 HD13 LEU 80 -23.115 -8.768 -10.164 651 1HD2 LEU 80 HD23 LEU 80 -23.487 -11.501 -12.264 652 2HD2 LEU 80 HD22 LEU 80 -23.703 -10.102 -13.325 653 3HD2 LEU 80 HD21 LEU 80 -22.500 -10.057 -12.036 654 H SER 81 HN SER 81 -26.330 -13.781 -12.015 655 HA SER 81 HA SER 81 -29.018 -14.456 -12.507 656 1HB SER 81 HB2 SER 81 -28.096 -16.397 -10.756 657 2HB SER 81 HB1 SER 81 -27.909 -16.406 -12.505 658 HG SER 81 HG SER 81 -25.846 -16.469 -12.030 659 H ASP 82 HN ASP 82 -27.494 -13.008 -9.783 660 HA ASP 82 HA ASP 82 -29.338 -13.726 -7.725 661 1HB ASP 82 HB2 ASP 82 -26.978 -12.806 -7.435 662 2HB ASP 82 HB1 ASP 82 -27.638 -11.221 -7.832 663 H GLY 83 HN GLY 83 -29.249 -11.216 -10.171 664 1HA GLY 83 HA2 GLY 83 -31.574 -10.480 -10.844 665 2HA GLY 83 HA1 GLY 83 -31.777 -10.033 -9.153 666 H ASN 84 HN ASN 84 -29.091 -9.039 -8.785 667 HA ASN 84 HA ASN 84 -29.379 -6.328 -9.327 668 1HB ASN 84 HB2 ASN 84 -26.812 -7.865 -8.862 669 2HB ASN 84 HB1 ASN 84 -26.993 -6.118 -8.732 670 1HD2 ASN 84 HD22 ASN 84 -27.386 -6.926 -5.292 671 2HD2 ASN 84 HD21 ASN 84 -26.245 -6.455 -6.515 672 H GLU 85 HN GLU 85 -28.571 -4.904 -10.799 673 HA GLU 85 HA GLU 85 -27.340 -5.984 -13.274 674 1HB GLU 85 HB2 GLU 85 -29.636 -4.056 -12.940 675 2HB GLU 85 HB1 GLU 85 -28.693 -4.142 -14.429 676 1HG GLU 85 HG2 GLU 85 -29.277 -6.498 -14.691 677 2HG GLU 85 HG1 GLU 85 -30.159 -6.473 -13.163 678 H TYR 86 HN TYR 86 -25.384 -5.124 -13.510 679 HA TYR 86 HA TYR 86 -24.901 -2.305 -12.703 680 1HB TYR 86 HB2 TYR 86 -22.787 -4.460 -12.728 681 2HB TYR 86 HB1 TYR 86 -22.681 -2.851 -12.032 682 HD1 TYR 86 HD1 TYR 86 -25.054 -2.646 -10.340 683 HD2 TYR 86 HD2 TYR 86 -22.492 -5.990 -11.037 684 HE1 TYR 86 HE1 TYR 86 -25.627 -3.537 -8.131 685 HE2 TYR 86 HE2 TYR 86 -23.078 -6.887 -8.820 686 HH TYR 86 HH TYR 86 -24.635 -5.070 -6.432 687 H LEU 87 HN LEU 87 -23.462 -1.108 -13.989 688 HA LEU 87 HA LEU 87 -23.144 -2.081 -16.774 689 1HB LEU 87 HB2 LEU 87 -23.044 0.741 -15.668 690 2HB LEU 87 HB1 LEU 87 -22.827 0.300 -17.355 691 HG LEU 87 HG LEU 87 -25.324 0.099 -15.682 692 1HD1 LEU 87 HD12 LEU 87 -24.657 2.243 -16.860 693 2HD1 LEU 87 HD11 LEU 87 -24.928 1.382 -18.378 694 3HD1 LEU 87 HD13 LEU 87 -26.258 1.607 -17.234 695 1HD2 LEU 87 HD22 LEU 87 -24.645 -1.277 -18.258 696 2HD2 LEU 87 HD21 LEU 87 -25.489 -1.905 -16.845 697 3HD2 LEU 87 HD23 LEU 87 -26.302 -0.774 -17.926 698 H PHE 88 HN PHE 88 -21.121 -2.427 -17.530 699 HA PHE 88 HA PHE 88 -18.844 -1.576 -15.839 700 1HB PHE 88 HB2 PHE 88 -19.331 -4.081 -17.407 701 2HB PHE 88 HB1 PHE 88 -17.699 -3.577 -16.987 702 HD1 PHE 88 HD1 PHE 88 -17.057 -3.340 -14.595 703 HD2 PHE 88 HD2 PHE 88 -20.763 -5.076 -15.795 704 HE1 PHE 88 HE1 PHE 88 -17.289 -4.368 -12.376 705 HE2 PHE 88 HE2 PHE 88 -20.997 -6.114 -13.572 706 HZ PHE 88 HZ PHE 88 -19.260 -5.765 -11.863 707 H GLN 89 HN GLN 89 -17.354 -0.292 -16.758 708 HA GLN 89 HA GLN 89 -17.482 0.171 -19.685 709 1HB GLN 89 HB2 GLN 89 -17.875 2.089 -18.023 710 2HB GLN 89 HB1 GLN 89 -16.157 1.987 -17.675 711 1HG GLN 89 HG2 GLN 89 -16.306 2.039 -20.474 712 2HG GLN 89 HG1 GLN 89 -17.530 3.190 -19.944 713 1HE2 GLN 89 HE22 GLN 89 -13.584 4.034 -19.471 714 2HE2 GLN 89 HE21 GLN 89 -14.125 2.494 -20.067 715 H ALA 90 HN ALA 90 -15.828 -0.377 -20.904 716 HA ALA 90 HA ALA 90 -13.316 -1.358 -19.692 717 1HB ALA 90 HB3 ALA 90 -14.740 -1.876 -22.301 718 2HB ALA 90 HB2 ALA 90 -13.035 -2.282 -22.098 719 3HB ALA 90 HB1 ALA 90 -14.246 -3.035 -21.063 720 H LYS 91 HN LYS 91 -11.331 -0.942 -21.193 721 HA LYS 91 HA LYS 91 -11.217 1.942 -21.704 722 1HB LYS 91 HB2 LYS 91 -8.750 1.421 -21.969 723 2HB LYS 91 HB1 LYS 91 -9.436 1.146 -20.376 724 1HG LYS 91 HG2 LYS 91 -8.942 -1.043 -20.448 725 2HG LYS 91 HG1 LYS 91 -9.624 -1.216 -22.061 726 1HD LYS 91 HD2 LYS 91 -7.599 -0.349 -23.054 727 2HD LYS 91 HD1 LYS 91 -6.896 -0.118 -21.455 728 1HE LYS 91 HE2 LYS 91 -6.796 -2.467 -21.050 729 2HE LYS 91 HE1 LYS 91 -7.811 -2.813 -22.448 730 1HZ LYS 91 HZ3 LYS 91 -5.512 -1.343 -23.219 731 2HZ LYS 91 HZ2 LYS 91 -5.070 -2.753 -22.369 732 3HZ LYS 91 HZ1 LYS 91 -6.056 -2.872 -23.756 733 H ASP 92 HN ASP 92 -11.624 -0.940 -23.506 734 HA ASP 92 HA ASP 92 -11.614 0.506 -26.005 735 1HB ASP 92 HB2 ASP 92 -9.155 -0.491 -25.404 736 2HB ASP 92 HB1 ASP 92 -9.859 -1.899 -26.192 737 H ASP 93 HN ASP 93 -12.083 -1.105 -27.856 738 HA ASP 93 HA ASP 93 -14.492 -2.478 -27.168 739 1HB ASP 93 HB2 ASP 93 -14.885 -2.680 -29.443 740 2HB ASP 93 HB1 ASP 93 -13.871 -1.250 -29.364 741 H GLU 94 HN GLU 94 -11.240 -3.638 -28.013 742 HA GLU 94 HA GLU 94 -11.917 -6.399 -28.159 743 1HB GLU 94 HB2 GLU 94 -9.313 -4.953 -27.695 744 2HB GLU 94 HB1 GLU 94 -9.419 -6.711 -27.758 745 1HG GLU 94 HG2 GLU 94 -10.229 -6.672 -30.011 746 2HG GLU 94 HG1 GLU 94 -10.462 -4.926 -29.965 747 H GLU 95 HN GLU 95 -10.870 -4.330 -25.483 748 HA GLU 95 HA GLU 95 -10.571 -6.403 -23.549 749 1HB GLU 95 HB2 GLU 95 -9.778 -3.931 -23.428 750 2HB GLU 95 HB1 GLU 95 -11.408 -3.601 -22.850 751 1HG GLU 95 HG2 GLU 95 -10.772 -5.710 -21.267 752 2HG GLU 95 HG1 GLU 95 -9.165 -5.038 -21.522 753 H MET 96 HN MET 96 -13.254 -4.247 -24.431 754 HA MET 96 HA MET 96 -15.180 -5.067 -22.547 755 1HB MET 96 HB2 MET 96 -15.302 -3.087 -24.117 756 2HB MET 96 HB1 MET 96 -15.728 -4.213 -25.398 757 1HG MET 96 HG2 MET 96 -17.526 -4.943 -23.501 758 2HG MET 96 HG1 MET 96 -17.321 -3.244 -23.101 759 1HE MET 96 HE3 MET 96 -17.702 -5.702 -25.968 760 2HE MET 96 HE2 MET 96 -18.856 -4.957 -27.069 761 3HE MET 96 HE1 MET 96 -17.172 -4.440 -27.090 762 H ASN 97 HN ASN 97 -14.441 -6.282 -25.800 763 HA ASN 97 HA ASN 97 -16.441 -8.274 -25.994 764 1HB ASN 97 HB2 ASN 97 -15.121 -7.452 -27.913 765 2HB ASN 97 HB1 ASN 97 -13.676 -8.199 -27.246 766 1HD2 ASN 97 HD22 ASN 97 -14.324 -11.059 -29.104 767 2HD2 ASN 97 HD21 ASN 97 -13.224 -9.810 -28.605 768 H THR 98 HN THR 98 -13.056 -8.448 -24.908 769 HA THR 98 HA THR 98 -12.977 -11.192 -24.254 770 HB THR 98 HB THR 98 -11.398 -8.981 -22.922 771 HG1 THR 98 HG1 THR 98 -11.115 -8.707 -25.113 772 1HG2 THR 98 HG23 THR 98 -10.986 -11.938 -23.286 773 2HG2 THR 98 HG22 THR 98 -9.634 -10.847 -22.976 774 3HG2 THR 98 HG21 THR 98 -10.939 -10.991 -21.796 775 H TRP 99 HN TRP 99 -13.941 -8.355 -22.341 776 HA TRP 99 HA TRP 99 -14.209 -9.670 -19.836 777 1HB TRP 99 HB2 TRP 99 -15.210 -7.101 -21.008 778 2HB TRP 99 HB1 TRP 99 -15.948 -7.681 -19.521 779 HD1 TRP 99 HD1 TRP 99 -13.210 -5.486 -20.582 780 HE1 TRP 99 HE1 TRP 99 -11.503 -5.168 -18.707 781 HE3 TRP 99 HE3 TRP 99 -14.647 -9.275 -17.430 782 HZ2 TRP 99 HZ2 TRP 99 -10.839 -6.319 -16.241 783 HZ3 TRP 99 HZ3 TRP 99 -13.418 -9.601 -15.315 784 HH2 TRP 99 HH2 TRP 99 -11.535 -8.138 -14.727 785 H ILE 100 HN ILE 100 -16.605 -8.907 -22.366 786 HA ILE 100 HA ILE 100 -18.852 -10.064 -21.109 787 HB ILE 100 HB ILE 100 -18.212 -9.564 -24.018 788 1HG1 ILE 100 HG12 ILE 100 -20.102 -8.154 -22.130 789 2HG1 ILE 100 HG11 ILE 100 -18.469 -7.609 -22.490 790 1HG2 ILE 100 HG23 ILE 100 -20.660 -10.767 -22.767 791 2HG2 ILE 100 HG22 ILE 100 -20.811 -9.744 -24.196 792 3HG2 ILE 100 HG21 ILE 100 -19.835 -11.210 -24.263 793 1HD1 ILE 100 HD13 ILE 100 -19.222 -7.649 -24.960 794 2HD1 ILE 100 HD12 ILE 100 -20.860 -7.723 -24.305 795 3HD1 ILE 100 HD11 ILE 100 -19.821 -6.350 -23.928 796 H GLN 101 HN GLN 101 -16.453 -11.454 -23.350 797 HA GLN 101 HA GLN 101 -17.668 -14.018 -23.590 798 1HB GLN 101 HB2 GLN 101 -14.854 -13.031 -24.064 799 2HB GLN 101 HB1 GLN 101 -15.316 -14.716 -24.303 800 1HG GLN 101 HG2 GLN 101 -17.227 -13.733 -25.779 801 2HG GLN 101 HG1 GLN 101 -16.237 -12.279 -25.816 802 1HE2 GLN 101 HE22 GLN 101 -13.528 -14.624 -27.202 803 2HE2 GLN 101 HE21 GLN 101 -13.767 -13.996 -25.602 804 H ALA 102 HN ALA 102 -15.169 -12.730 -21.417 805 HA ALA 102 HA ALA 102 -14.509 -15.124 -20.068 806 1HB ALA 102 HB1 ALA 102 -13.164 -13.079 -19.899 807 2HB ALA 102 HB3 ALA 102 -14.472 -12.276 -19.032 808 3HB ALA 102 HB2 ALA 102 -13.638 -13.647 -18.299 809 H ILE 103 HN ILE 103 -17.010 -12.700 -19.478 810 HA ILE 103 HA ILE 103 -18.033 -13.846 -17.052 811 HB ILE 103 HB ILE 103 -19.143 -11.865 -19.048 812 1HG1 ILE 103 HG12 ILE 103 -18.487 -11.253 -16.196 813 2HG1 ILE 103 HG11 ILE 103 -17.160 -11.447 -17.336 814 1HG2 ILE 103 HG21 ILE 103 -20.416 -13.006 -16.578 815 2HG2 ILE 103 HG23 ILE 103 -20.775 -11.362 -17.099 816 3HG2 ILE 103 HG22 ILE 103 -21.131 -12.723 -18.165 817 1HD1 ILE 103 HD11 ILE 103 -18.574 -9.781 -18.810 818 2HD1 ILE 103 HD13 ILE 103 -19.297 -9.354 -17.261 819 3HD1 ILE 103 HD12 ILE 103 -17.560 -9.169 -17.501 820 H SER 104 HN SER 104 -18.802 -14.165 -20.509 821 HA SER 104 HA SER 104 -21.142 -15.786 -20.199 822 1HB SER 104 HB2 SER 104 -19.262 -15.560 -22.565 823 2HB SER 104 HB1 SER 104 -20.888 -16.239 -22.590 824 HG SER 104 HG SER 104 -20.101 -13.541 -22.166 825 H SER 105 HN SER 105 -17.724 -16.452 -20.170 826 HA SER 105 HA SER 105 -17.941 -19.300 -20.636 827 1HB SER 105 HB2 SER 105 -15.629 -17.687 -19.529 828 2HB SER 105 HB1 SER 105 -15.557 -19.344 -20.125 829 HG SER 105 HG SER 105 -16.314 -17.067 -21.678 830 H ALA 106 HN ALA 106 -18.825 -17.429 -18.042 831 HA ALA 106 HA ALA 106 -17.918 -19.206 -15.909 832 1HB ALA 106 HB2 ALA 106 -18.084 -16.772 -15.512 833 2HB ALA 106 HB1 ALA 106 -19.818 -16.844 -15.831 834 3HB ALA 106 HB3 ALA 106 -19.143 -17.680 -14.431 No H/Q in entry = 834 Start of MODEL 10 1 1H MET 1 HT2 MET 1 -6.962 -13.973 -14.016 2 2H MET 1 HT1 MET 1 -8.171 -14.998 -14.641 3 3H MET 1 HT3 MET 1 -6.624 -14.981 -15.344 4 HA MET 1 HA MET 1 -6.925 -12.962 -16.345 5 1HB MET 1 HB2 MET 1 -8.602 -14.850 -17.075 6 2HB MET 1 HB1 MET 1 -9.820 -13.794 -16.369 7 1HG MET 1 HG2 MET 1 -7.841 -12.611 -18.274 8 2HG MET 1 HG1 MET 1 -9.126 -13.615 -18.928 9 1HE MET 1 HE2 MET 1 -8.021 -10.267 -18.380 10 2HE MET 1 HE1 MET 1 -8.960 -10.463 -19.859 11 3HE MET 1 HE3 MET 1 -9.494 -9.329 -18.613 12 H GLU 2 HN GLU 2 -6.698 -11.097 -15.284 13 HA GLU 2 HA GLU 2 -9.049 -9.953 -13.896 14 1HB GLU 2 HB2 GLU 2 -6.260 -9.541 -12.829 15 2HB GLU 2 HB1 GLU 2 -7.803 -9.235 -12.048 16 1HG GLU 2 HG2 GLU 2 -7.297 -11.170 -10.965 17 2HG GLU 2 HG1 GLU 2 -8.048 -11.890 -12.382 18 H GLY 3 HN GLY 3 -8.791 -7.575 -13.574 19 1HA GLY 3 HA2 GLY 3 -6.912 -5.945 -14.822 20 2HA GLY 3 HA1 GLY 3 -8.168 -6.264 -16.019 21 H PHE 4 HN PHE 4 -7.952 -3.726 -15.420 22 HA PHE 4 HA PHE 4 -9.675 -2.965 -13.178 23 1HB PHE 4 HB2 PHE 4 -8.012 -1.479 -15.166 24 2HB PHE 4 HB1 PHE 4 -9.309 -0.631 -14.348 25 HD1 PHE 4 HD1 PHE 4 -9.336 -0.659 -11.792 26 HD2 PHE 4 HD2 PHE 4 -5.932 -1.762 -14.129 27 HE1 PHE 4 HE1 PHE 4 -7.878 -0.322 -9.835 28 HE2 PHE 4 HE2 PHE 4 -4.480 -1.429 -12.170 29 HZ PHE 4 HZ PHE 4 -5.454 -0.593 -10.045 30 H LEU 5 HN LEU 5 -11.693 -2.169 -13.362 31 HA LEU 5 HA LEU 5 -12.960 -1.848 -15.998 32 1HB LEU 5 HB2 LEU 5 -13.552 -3.987 -14.017 33 2HB LEU 5 HB1 LEU 5 -14.954 -3.150 -14.668 34 HG LEU 5 HG LEU 5 -12.812 -4.545 -16.276 35 1HD1 LEU 5 HD11 LEU 5 -15.529 -5.322 -15.309 36 2HD1 LEU 5 HD13 LEU 5 -15.016 -5.880 -16.901 37 3HD1 LEU 5 HD12 LEU 5 -14.067 -6.295 -15.473 38 1HD2 LEU 5 HD22 LEU 5 -14.990 -2.689 -17.015 39 2HD2 LEU 5 HD21 LEU 5 -13.474 -3.047 -17.843 40 3HD2 LEU 5 HD23 LEU 5 -14.849 -4.140 -18.009 41 H ASN 6 HN ASN 6 -14.704 -0.434 -15.970 42 HA ASN 6 HA ASN 6 -14.994 1.223 -13.556 43 1HB ASN 6 HB2 ASN 6 -15.009 1.801 -16.322 44 2HB ASN 6 HB1 ASN 6 -16.656 2.063 -15.775 45 1HD2 ASN 6 HD22 ASN 6 -13.596 4.425 -14.404 46 2HD2 ASN 6 HD21 ASN 6 -13.289 2.899 -15.180 47 H ARG 7 HN ARG 7 -16.483 0.622 -12.122 48 HA ARG 7 HA ARG 7 -18.836 -0.915 -13.073 49 1HB ARG 7 HB2 ARG 7 -17.249 -2.149 -11.609 50 2HB ARG 7 HB1 ARG 7 -17.558 -0.978 -10.327 51 1HG ARG 7 HG2 ARG 7 -19.874 -1.635 -10.196 52 2HG ARG 7 HG1 ARG 7 -19.731 -2.623 -11.647 53 1HD ARG 7 HD2 ARG 7 -19.605 -4.240 -9.993 54 2HD ARG 7 HD1 ARG 7 -17.897 -3.893 -10.262 55 HE ARG 7 HE ARG 7 -18.022 -2.406 -8.258 56 1HH1 ARG 7 HH21 ARG 7 -20.720 -2.174 -7.346 57 2HH1 ARG 7 HH22 ARG 7 -20.992 -3.520 -6.283 58 1HH2 ARG 7 HH11 ARG 7 -18.189 -5.310 -7.454 59 2HH2 ARG 7 HH12 ARG 7 -19.520 -5.321 -6.329 60 H LYS 8 HN LYS 8 -20.819 -0.294 -12.537 61 HA LYS 8 HA LYS 8 -21.275 1.851 -10.577 62 1HB LYS 8 HB2 LYS 8 -21.094 2.971 -12.739 63 2HB LYS 8 HB1 LYS 8 -22.266 1.871 -13.442 64 1HG LYS 8 HG2 LYS 8 -23.345 3.133 -11.063 65 2HG LYS 8 HG1 LYS 8 -22.770 4.347 -12.201 66 1HD LYS 8 HD2 LYS 8 -24.302 3.765 -13.829 67 2HD LYS 8 HD1 LYS 8 -24.428 2.099 -13.266 68 1HE LYS 8 HE2 LYS 8 -25.961 2.612 -11.615 69 2HE LYS 8 HE1 LYS 8 -25.397 4.272 -11.457 70 1HZ LYS 8 HZ2 LYS 8 -26.411 4.718 -13.667 71 2HZ LYS 8 HZ1 LYS 8 -27.103 3.154 -13.622 72 3HZ LYS 8 HZ3 LYS 8 -27.527 4.305 -12.448 73 H HIS 9 HN HIS 9 -22.631 0.907 -9.164 74 HA HIS 9 HA HIS 9 -24.360 -1.268 -9.986 75 1HB HIS 9 HB2 HIS 9 -24.972 -1.506 -7.681 76 2HB HIS 9 HB1 HIS 9 -23.234 -1.297 -7.780 77 HD1 HIS 9 HD1 HIS 9 -24.821 -0.804 -5.185 78 HD2 HIS 9 HD2 HIS 9 -23.754 2.191 -7.840 79 HE1 HIS 9 HE1 HIS 9 -24.790 1.292 -3.822 80 H GLU 10 HN GLU 10 -26.370 -1.127 -10.641 81 HA GLU 10 HA GLU 10 -27.795 1.460 -10.411 82 1HB GLU 10 HB2 GLU 10 -27.120 0.672 -12.693 83 2HB GLU 10 HB1 GLU 10 -28.180 -0.716 -12.474 84 1HG GLU 10 HG2 GLU 10 -30.122 0.593 -12.506 85 2HG GLU 10 HG1 GLU 10 -29.243 2.075 -12.127 86 H TRP 11 HN TRP 11 -28.136 -2.051 -10.217 87 HA TRP 11 HA TRP 11 -30.592 -1.706 -8.614 88 1HB TRP 11 HB2 TRP 11 -30.830 -2.384 -11.177 89 2HB TRP 11 HB1 TRP 11 -30.418 -3.975 -10.559 90 HD1 TRP 11 HD1 TRP 11 -33.084 -1.205 -9.971 91 HE1 TRP 11 HE1 TRP 11 -35.253 -2.363 -9.273 92 HE3 TRP 11 HE3 TRP 11 -31.449 -6.044 -9.740 93 HZ2 TRP 11 HZ2 TRP 11 -36.169 -4.961 -8.691 94 HZ3 TRP 11 HZ3 TRP 11 -33.023 -7.820 -9.104 95 HH2 TRP 11 HH2 TRP 11 -35.363 -7.283 -8.586 96 H GLU 12 HN GLU 12 -30.522 -2.824 -6.797 97 HA GLU 12 HA GLU 12 -29.664 -5.432 -6.406 98 1HB GLU 12 HB2 GLU 12 -27.605 -4.999 -4.987 99 2HB GLU 12 HB1 GLU 12 -27.388 -4.885 -6.724 100 1HG GLU 12 HG2 GLU 12 -27.265 -2.519 -6.667 101 2HG GLU 12 HG1 GLU 12 -27.911 -2.446 -5.026 102 H ALA 13 HN ALA 13 -30.161 -2.235 -5.093 103 HA ALA 13 HA ALA 13 -30.713 -3.121 -2.388 104 1HB ALA 13 HB1 ALA 13 -31.197 -0.459 -3.765 105 2HB ALA 13 HB3 ALA 13 -31.419 -0.764 -2.041 106 3HB ALA 13 HB2 ALA 13 -29.809 -0.878 -2.754 107 H HIS 14 HN HIS 14 -32.343 -4.571 -2.451 108 HA HIS 14 HA HIS 14 -34.351 -5.550 -2.813 109 1HB HIS 14 HB2 HIS 14 -36.288 -4.259 -1.898 110 2HB HIS 14 HB1 HIS 14 -34.904 -4.413 -0.838 111 HD1 HIS 14 HD1 HIS 14 -33.470 -2.229 -0.460 112 HD2 HIS 14 HD2 HIS 14 -37.079 -1.645 -2.407 113 HE1 HIS 14 HE1 HIS 14 -33.914 0.230 -0.288 114 H ASN 15 HN ASN 15 -36.033 -2.604 -3.641 115 HA ASN 15 HA ASN 15 -36.026 -3.297 -6.500 116 1HB ASN 15 HB2 ASN 15 -37.905 -4.532 -5.366 117 2HB ASN 15 HB1 ASN 15 -38.600 -2.978 -4.927 118 1HD2 ASN 15 HD22 ASN 15 -40.453 -3.432 -7.908 119 2HD2 ASN 15 HD21 ASN 15 -40.463 -3.591 -6.176 120 H LYS 16 HN LYS 16 -34.835 -1.322 -6.674 121 HA LYS 16 HA LYS 16 -36.426 0.933 -7.289 122 1HB LYS 16 HB2 LYS 16 -35.435 2.536 -5.620 123 2HB LYS 16 HB1 LYS 16 -36.567 1.378 -4.952 124 1HG LYS 16 HG2 LYS 16 -34.804 0.036 -4.025 125 2HG LYS 16 HG1 LYS 16 -33.569 1.004 -4.810 126 1HD LYS 16 HD2 LYS 16 -35.469 1.925 -2.646 127 2HD LYS 16 HD1 LYS 16 -33.748 1.608 -2.461 128 1HE LYS 16 HE2 LYS 16 -33.465 3.808 -2.825 129 2HE LYS 16 HE1 LYS 16 -33.785 3.451 -4.518 130 1HZ LYS 16 HZ3 LYS 16 -36.224 3.797 -3.915 131 2HZ LYS 16 HZ2 LYS 16 -35.649 4.488 -2.465 132 3HZ LYS 16 HZ1 LYS 16 -35.235 5.178 -3.967 133 H LYS 17 HN LYS 17 -33.459 2.009 -6.072 134 HA LYS 17 HA LYS 17 -31.792 1.238 -8.293 135 1HB LYS 17 HB2 LYS 17 -33.226 3.817 -8.284 136 2HB LYS 17 HB1 LYS 17 -31.488 3.967 -8.509 137 1HG LYS 17 HG2 LYS 17 -31.685 2.209 -10.324 138 2HG LYS 17 HG1 LYS 17 -33.432 2.385 -10.196 139 1HD LYS 17 HD2 LYS 17 -33.166 4.820 -10.688 140 2HD LYS 17 HD1 LYS 17 -31.445 4.548 -10.936 141 1HE LYS 17 HE2 LYS 17 -32.343 4.496 -13.105 142 2HE LYS 17 HE1 LYS 17 -32.154 2.797 -12.685 143 1HZ LYS 17 HZ2 LYS 17 -34.682 3.552 -11.822 144 2HZ LYS 17 HZ1 LYS 17 -34.502 4.205 -13.385 145 3HZ LYS 17 HZ3 LYS 17 -34.286 2.528 -13.128 146 H ALA 18 HN ALA 18 -29.594 2.036 -7.996 147 HA ALA 18 HA ALA 18 -28.991 2.780 -5.186 148 1HB ALA 18 HB1 ALA 18 -28.401 0.415 -5.865 149 2HB ALA 18 HB3 ALA 18 -27.236 1.106 -6.995 150 3HB ALA 18 HB2 ALA 18 -27.059 1.384 -5.261 151 H SER 19 HN SER 19 -27.195 4.155 -4.837 152 HA SER 19 HA SER 19 -25.774 5.346 -7.076 153 1HB SER 19 HB2 SER 19 -27.722 7.006 -5.449 154 2HB SER 19 HB1 SER 19 -26.530 7.657 -6.570 155 HG SER 19 HG SER 19 -28.062 5.687 -7.698 156 H SER 20 HN SER 20 -24.819 3.883 -4.919 157 HA SER 20 HA SER 20 -23.602 5.844 -3.078 158 1HB SER 20 HB2 SER 20 -23.498 2.859 -2.925 159 2HB SER 20 HB1 SER 20 -23.022 3.995 -1.679 160 HG SER 20 HG SER 20 -25.673 3.923 -2.717 161 H ARG 21 HN ARG 21 -22.272 6.702 -4.723 162 HA ARG 21 HA ARG 21 -20.216 7.013 -5.655 163 1HB ARG 21 HB2 ARG 21 -19.447 5.430 -3.709 164 2HB ARG 21 HB1 ARG 21 -19.307 4.224 -4.982 165 1HG ARG 21 HG2 ARG 21 -17.181 5.442 -4.509 166 2HG ARG 21 HG1 ARG 21 -17.721 5.596 -6.182 167 1HD ARG 21 HD2 ARG 21 -18.286 7.840 -5.939 168 2HD ARG 21 HD1 ARG 21 -18.565 7.689 -4.201 169 HE ARG 21 HE ARG 21 -15.790 7.383 -5.142 170 1HH1 ARG 21 HH21 ARG 21 -15.870 7.988 -2.363 171 2HH1 ARG 21 HH22 ARG 21 -15.786 9.736 -2.251 172 1HH2 ARG 21 HH11 ARG 21 -16.780 10.236 -5.612 173 2HH2 ARG 21 HH12 ARG 21 -16.313 11.029 -4.122 174 H SER 22 HN SER 22 -21.829 6.903 -7.410 175 HA SER 22 HA SER 22 -22.012 4.592 -9.091 176 1HB SER 22 HB2 SER 22 -22.564 7.436 -9.939 177 2HB SER 22 HB1 SER 22 -23.317 5.954 -10.520 178 HG SER 22 HG SER 22 -23.570 7.016 -7.877 179 H TRP 23 HN TRP 23 -20.698 3.945 -10.670 180 HA TRP 23 HA TRP 23 -19.010 3.785 -12.168 181 1HB TRP 23 HB2 TRP 23 -19.518 6.749 -12.318 182 2HB TRP 23 HB1 TRP 23 -18.196 6.022 -13.215 183 HD1 TRP 23 HD1 TRP 23 -21.622 7.029 -13.817 184 HE1 TRP 23 HE1 TRP 23 -22.688 5.684 -15.716 185 HE3 TRP 23 HE3 TRP 23 -18.270 3.182 -14.150 186 HZ2 TRP 23 HZ2 TRP 23 -22.190 3.324 -17.178 187 HZ3 TRP 23 HZ3 TRP 23 -18.605 1.426 -15.813 188 HH2 TRP 23 HH2 TRP 23 -20.555 1.482 -17.326 189 H HIS 24 HN HIS 24 -17.542 2.900 -10.803 190 HA HIS 24 HA HIS 24 -15.364 4.683 -9.883 191 1HB HIS 24 HB2 HIS 24 -16.674 4.003 -7.920 192 2HB HIS 24 HB1 HIS 24 -16.530 2.314 -8.380 193 HD1 HIS 24 HD1 HIS 24 -14.696 5.071 -6.728 194 HD2 HIS 24 HD2 HIS 24 -13.937 1.173 -7.880 195 HE1 HIS 24 HE1 HIS 24 -12.554 4.470 -5.592 196 H ASN 25 HN ASN 25 -13.331 3.937 -10.259 197 HA ASN 25 HA ASN 25 -12.980 1.804 -12.195 198 1HB ASN 25 HB2 ASN 25 -11.669 3.926 -12.246 199 2HB ASN 25 HB1 ASN 25 -10.910 3.473 -10.723 200 1HD2 ASN 25 HD22 ASN 25 -8.322 2.092 -12.635 201 2HD2 ASN 25 HD21 ASN 25 -8.837 3.314 -11.513 202 H VAL 26 HN VAL 26 -13.603 -0.068 -11.133 203 HA VAL 26 HA VAL 26 -12.124 -0.900 -8.720 204 HB VAL 26 HB VAL 26 -14.659 -0.855 -8.796 205 1HG1 VAL 26 HG12 VAL 26 -14.935 -1.739 -11.074 206 2HG1 VAL 26 HG11 VAL 26 -14.326 -3.303 -10.530 207 3HG1 VAL 26 HG13 VAL 26 -15.834 -2.671 -9.878 208 1HG2 VAL 26 HG23 VAL 26 -13.375 -2.120 -7.118 209 2HG2 VAL 26 HG22 VAL 26 -14.918 -2.876 -7.516 210 3HG2 VAL 26 HG21 VAL 26 -13.423 -3.537 -8.173 211 H TYR 27 HN TYR 27 -11.321 -3.053 -8.601 212 HA TYR 27 HA TYR 27 -10.254 -4.059 -11.158 213 1HB TYR 27 HB2 TYR 27 -8.860 -3.482 -9.017 214 2HB TYR 27 HB1 TYR 27 -9.415 -5.045 -8.448 215 HD1 TYR 27 HD1 TYR 27 -7.503 -3.323 -11.094 216 HD2 TYR 27 HD2 TYR 27 -8.491 -7.064 -9.290 217 HE1 TYR 27 HE1 TYR 27 -5.691 -4.403 -12.355 218 HE2 TYR 27 HE2 TYR 27 -6.678 -8.149 -10.556 219 HH TYR 27 HH TYR 27 -4.720 -7.703 -11.739 220 H CYS 28 HN CYS 28 -10.966 -5.955 -11.974 221 HA CYS 28 HA CYS 28 -12.757 -7.625 -10.294 222 1HB CYS 28 HB2 CYS 28 -12.816 -7.271 -13.298 223 2HB CYS 28 HB1 CYS 28 -13.939 -8.219 -12.329 224 HG CYS 28 HG CYS 28 -13.776 -5.164 -11.815 225 H VAL 29 HN VAL 29 -12.293 -9.708 -10.045 226 HA VAL 29 HA VAL 29 -10.126 -10.936 -11.665 227 HB VAL 29 HB VAL 29 -10.817 -11.377 -8.750 228 1HG1 VAL 29 HG12 VAL 29 -9.026 -12.840 -10.635 229 2HG1 VAL 29 HG11 VAL 29 -8.517 -12.664 -8.953 230 3HG1 VAL 29 HG13 VAL 29 -10.046 -13.460 -9.335 231 1HG2 VAL 29 HG23 VAL 29 -8.780 -9.717 -10.118 232 2HG2 VAL 29 HG22 VAL 29 -9.588 -9.481 -8.568 233 3HG2 VAL 29 HG21 VAL 29 -8.251 -10.624 -8.699 234 H ILE 30 HN ILE 30 -10.951 -12.503 -12.935 235 HA ILE 30 HA ILE 30 -13.568 -13.662 -12.366 236 HB ILE 30 HB ILE 30 -11.687 -14.229 -14.668 237 1HG1 ILE 30 HG12 ILE 30 -13.899 -12.178 -14.423 238 2HG1 ILE 30 HG11 ILE 30 -12.179 -11.846 -14.600 239 1HG2 ILE 30 HG23 ILE 30 -14.615 -14.782 -14.189 240 2HG2 ILE 30 HG22 ILE 30 -13.897 -14.795 -15.800 241 3HG2 ILE 30 HG21 ILE 30 -13.336 -15.929 -14.577 242 1HD1 ILE 30 HD11 ILE 30 -12.529 -13.380 -16.770 243 2HD1 ILE 30 HD13 ILE 30 -14.158 -12.720 -16.630 244 3HD1 ILE 30 HD12 ILE 30 -12.776 -11.634 -16.792 245 H ASN 31 HN ASN 31 -13.973 -15.715 -11.756 246 HA ASN 31 HA ASN 31 -11.798 -17.690 -11.541 247 1HB ASN 31 HB2 ASN 31 -12.174 -16.345 -9.349 248 2HB ASN 31 HB1 ASN 31 -13.706 -17.207 -9.239 249 1HD2 ASN 31 HD22 ASN 31 -11.543 -19.294 -7.252 250 2HD2 ASN 31 HD21 ASN 31 -12.445 -17.806 -7.173 251 H ASN 32 HN ASN 32 -12.998 -19.816 -10.602 252 HA ASN 32 HA ASN 32 -14.701 -20.768 -12.628 253 1HB ASN 32 HB2 ASN 32 -13.983 -21.790 -9.887 254 2HB ASN 32 HB1 ASN 32 -15.158 -22.640 -10.887 255 1HD2 ASN 32 HD22 ASN 32 -12.522 -24.404 -12.348 256 2HD2 ASN 32 HD21 ASN 32 -14.027 -24.427 -11.474 257 H GLN 33 HN GLN 33 -16.566 -19.689 -12.986 258 HA GLN 33 HA GLN 33 -18.690 -18.905 -12.753 259 1HB GLN 33 HB2 GLN 33 -18.617 -21.368 -11.094 260 2HB GLN 33 HB1 GLN 33 -20.023 -20.326 -10.900 261 1HG GLN 33 HG2 GLN 33 -20.744 -20.629 -13.069 262 2HG GLN 33 HG1 GLN 33 -19.121 -20.950 -13.680 263 1HE2 GLN 33 HE22 GLN 33 -19.469 -24.398 -13.476 264 2HE2 GLN 33 HE21 GLN 33 -18.617 -23.002 -14.073 265 H GLU 34 HN GLU 34 -16.610 -17.613 -11.158 266 HA GLU 34 HA GLU 34 -18.338 -16.049 -9.407 267 1HB GLU 34 HB2 GLU 34 -15.974 -17.623 -8.373 268 2HB GLU 34 HB1 GLU 34 -16.606 -16.208 -7.541 269 1HG GLU 34 HG2 GLU 34 -18.897 -17.508 -7.721 270 2HG GLU 34 HG1 GLU 34 -17.848 -18.910 -7.910 271 H MET 35 HN MET 35 -17.347 -14.061 -8.745 272 HA MET 35 HA MET 35 -14.798 -13.340 -9.968 273 1HB MET 35 HB2 MET 35 -15.632 -11.337 -11.029 274 2HB MET 35 HB1 MET 35 -16.502 -12.724 -11.666 275 1HG MET 35 HG2 MET 35 -18.412 -12.210 -10.212 276 2HG MET 35 HG1 MET 35 -17.539 -10.844 -9.530 277 1HE MET 35 HE1 MET 35 -19.983 -9.963 -10.090 278 2HE MET 35 HE3 MET 35 -20.303 -9.079 -11.589 279 3HE MET 35 HE2 MET 35 -20.645 -10.807 -11.488 280 H GLY 36 HN GLY 36 -13.696 -11.852 -8.804 281 1HA GLY 36 HA2 GLY 36 -14.930 -10.953 -6.262 282 2HA GLY 36 HA1 GLY 36 -13.233 -11.360 -6.460 283 H PHE 37 HN PHE 37 -14.911 -8.835 -5.768 284 HA PHE 37 HA PHE 37 -13.761 -6.936 -7.713 285 1HB PHE 37 HB2 PHE 37 -15.861 -6.566 -5.571 286 2HB PHE 37 HB1 PHE 37 -15.257 -5.291 -6.622 287 HD1 PHE 37 HD1 PHE 37 -15.452 -5.694 -9.170 288 HD2 PHE 37 HD2 PHE 37 -17.705 -7.843 -6.240 289 HE1 PHE 37 HE1 PHE 37 -17.110 -6.305 -10.888 290 HE2 PHE 37 HE2 PHE 37 -19.363 -8.440 -7.959 291 HZ PHE 37 HZ PHE 37 -19.064 -7.673 -10.283 292 H TYR 38 HN TYR 38 -12.076 -5.709 -7.188 293 HA TYR 38 HA TYR 38 -11.391 -5.210 -4.361 294 1HB TYR 38 HB2 TYR 38 -9.440 -6.243 -6.439 295 2HB TYR 38 HB1 TYR 38 -9.034 -5.757 -4.798 296 HD1 TYR 38 HD1 TYR 38 -9.809 -7.090 -2.880 297 HD2 TYR 38 HD2 TYR 38 -10.464 -8.369 -6.896 298 HE1 TYR 38 HE1 TYR 38 -10.333 -9.357 -2.073 299 HE2 TYR 38 HE2 TYR 38 -10.974 -10.637 -6.090 300 HH TYR 38 HH TYR 38 -10.638 -12.055 -4.209 301 H LYS 39 HN LYS 39 -9.436 -3.597 -4.337 302 HA LYS 39 HA LYS 39 -10.302 -1.265 -5.791 303 1HB LYS 39 HB2 LYS 39 -9.509 -1.162 -3.448 304 2HB LYS 39 HB1 LYS 39 -7.901 -1.636 -3.983 305 1HG LYS 39 HG2 LYS 39 -7.857 0.725 -3.720 306 2HG LYS 39 HG1 LYS 39 -7.878 0.421 -5.449 307 1HD LYS 39 HD2 LYS 39 -10.562 0.609 -4.862 308 2HD LYS 39 HD1 LYS 39 -9.855 1.764 -3.740 309 1HE LYS 39 HE2 LYS 39 -10.257 3.060 -5.648 310 2HE LYS 39 HE1 LYS 39 -8.551 2.660 -5.795 311 1HZ LYS 39 HZ2 LYS 39 -9.685 0.616 -7.096 312 2HZ LYS 39 HZ1 LYS 39 -10.801 1.854 -7.440 313 3HZ LYS 39 HZ3 LYS 39 -9.161 2.051 -7.851 314 H ASP 40 HN ASP 40 -7.466 -3.384 -5.931 315 HA ASP 40 HA ASP 40 -6.947 -2.671 -8.677 316 1HB ASP 40 HB2 ASP 40 -4.771 -1.744 -8.429 317 2HB ASP 40 HB1 ASP 40 -5.827 -0.830 -7.362 318 H ALA 41 HN ALA 41 -4.368 -3.615 -8.912 319 HA ALA 41 HA ALA 41 -4.732 -6.436 -8.916 320 1HB ALA 41 HB2 ALA 41 -3.347 -5.278 -10.582 321 2HB ALA 41 HB1 ALA 41 -2.204 -4.817 -9.321 322 3HB ALA 41 HB3 ALA 41 -2.419 -6.515 -9.738 323 H LYS 42 HN LYS 42 -2.911 -4.230 -6.812 324 HA LYS 42 HA LYS 42 -1.597 -6.223 -5.254 325 1HB LYS 42 HB2 LYS 42 -2.322 -3.390 -4.479 326 2HB LYS 42 HB1 LYS 42 -1.119 -4.415 -3.700 327 1HG LYS 42 HG2 LYS 42 0.048 -4.537 -5.963 328 2HG LYS 42 HG1 LYS 42 -1.031 -3.249 -6.490 329 1HD LYS 42 HD2 LYS 42 0.602 -2.941 -3.990 330 2HD LYS 42 HD1 LYS 42 1.321 -2.642 -5.569 331 1HE LYS 42 HE2 LYS 42 -0.450 -0.976 -6.044 332 2HE LYS 42 HE1 LYS 42 -1.145 -1.270 -4.453 333 1HZ LYS 42 HZ3 LYS 42 1.113 -0.625 -3.566 334 2HZ LYS 42 HZ2 LYS 42 1.442 -0.018 -5.129 335 3HZ LYS 42 HZ1 LYS 42 0.154 0.620 -4.212 336 H SER 43 HN SER 43 -4.608 -4.386 -4.819 337 HA SER 43 HA SER 43 -5.367 -5.430 -2.298 338 1HB SER 43 HB2 SER 43 -6.354 -3.410 -3.342 339 2HB SER 43 HB1 SER 43 -7.108 -4.428 -4.563 340 HG SER 43 HG SER 43 -7.584 -4.694 -1.771 341 H ALA 44 HN ALA 44 -5.918 -6.534 -5.613 342 HA ALA 44 HA ALA 44 -7.677 -8.698 -4.983 343 1HB ALA 44 HB1 ALA 44 -6.027 -8.012 -7.416 344 2HB ALA 44 HB3 ALA 44 -7.062 -9.439 -7.338 345 3HB ALA 44 HB2 ALA 44 -7.765 -7.828 -7.195 346 H ALA 45 HN ALA 45 -4.179 -8.439 -5.496 347 HA ALA 45 HA ALA 45 -3.589 -11.214 -5.443 348 1HB ALA 45 HB2 ALA 45 -2.031 -9.537 -6.340 349 2HB ALA 45 HB1 ALA 45 -1.815 -8.871 -4.721 350 3HB ALA 45 HB3 ALA 45 -1.270 -10.506 -5.082 351 H SER 46 HN SER 46 -3.249 -8.725 -2.904 352 HA SER 46 HA SER 46 -2.527 -10.540 -0.821 353 1HB SER 46 HB2 SER 46 -3.826 -7.858 -0.362 354 2HB SER 46 HB1 SER 46 -2.616 -8.681 0.617 355 HG SER 46 HG SER 46 -1.486 -8.417 -1.725 356 H GLY 47 HN GLY 47 -5.608 -9.317 -2.009 357 1HA GLY 47 HA2 GLY 47 -7.721 -10.274 -1.755 358 2HA GLY 47 HA1 GLY 47 -7.073 -11.351 -0.520 359 H ILE 48 HN ILE 48 -7.486 -7.832 -0.997 360 HA ILE 48 HA ILE 48 -8.251 -7.540 1.840 361 HB ILE 48 HB ILE 48 -7.698 -5.295 -0.098 362 1HG1 ILE 48 HG12 ILE 48 -5.730 -6.985 1.453 363 2HG1 ILE 48 HG11 ILE 48 -5.697 -6.582 -0.260 364 1HG2 ILE 48 HG23 ILE 48 -8.773 -4.950 2.213 365 2HG2 ILE 48 HG22 ILE 48 -7.182 -5.348 2.868 366 3HG2 ILE 48 HG21 ILE 48 -7.376 -3.955 1.799 367 1HD1 ILE 48 HD13 ILE 48 -5.504 -4.115 0.616 368 2HD1 ILE 48 HD12 ILE 48 -4.950 -4.893 2.101 369 3HD1 ILE 48 HD11 ILE 48 -4.078 -5.154 0.590 370 HA PRO 49 HA PRO 49 -12.462 -7.279 0.279 371 1HB PRO 49 HB2 PRO 49 -13.686 -6.925 2.688 372 2HB PRO 49 HB1 PRO 49 -13.130 -8.492 2.085 373 1HG PRO 49 HG2 PRO 49 -11.870 -6.672 4.079 374 2HG PRO 49 HG1 PRO 49 -11.941 -8.441 4.058 375 1HD PRO 49 HD2 PRO 49 -9.739 -6.980 3.311 376 2HD PRO 49 HD1 PRO 49 -10.088 -8.618 2.725 377 H TYR 50 HN TYR 50 -12.097 -5.284 -0.822 378 HA TYR 50 HA TYR 50 -12.240 -2.738 0.543 379 1HB TYR 50 HB2 TYR 50 -10.917 -2.934 -1.484 380 2HB TYR 50 HB1 TYR 50 -12.323 -3.470 -2.394 381 HD1 TYR 50 HD1 TYR 50 -11.777 -0.620 -0.018 382 HD2 TYR 50 HD2 TYR 50 -12.886 -1.863 -3.950 383 HE1 TYR 50 HE1 TYR 50 -12.291 1.714 -0.618 384 HE2 TYR 50 HE2 TYR 50 -13.397 0.468 -4.544 385 HH TYR 50 HH TYR 50 -13.886 2.860 -2.391 386 H HIS 51 HN HIS 51 -14.407 -4.599 -1.576 387 HA HIS 51 HA HIS 51 -16.617 -2.729 -1.163 388 1HB HIS 51 HB2 HIS 51 -16.110 -5.124 -2.897 389 2HB HIS 51 HB1 HIS 51 -17.774 -4.655 -2.576 390 HD1 HIS 51 HD1 HIS 51 -18.682 -2.677 -3.833 391 HD2 HIS 51 HD2 HIS 51 -14.595 -3.117 -4.335 392 HE1 HIS 51 HE1 HIS 51 -18.066 -1.048 -5.638 393 H SER 52 HN SER 52 -18.809 -3.848 -0.761 394 HA SER 52 HA SER 52 -18.811 -5.011 1.858 395 1HB SER 52 HB2 SER 52 -21.333 -5.294 1.239 396 2HB SER 52 HB1 SER 52 -20.679 -3.666 1.409 397 HG SER 52 HG SER 52 -21.052 -3.305 -0.637 398 H GLU 53 HN GLU 53 -20.365 -6.246 -1.073 399 HA GLU 53 HA GLU 53 -19.822 -9.019 -0.261 400 1HB GLU 53 HB2 GLU 53 -21.531 -7.886 -2.495 401 2HB GLU 53 HB1 GLU 53 -21.344 -9.598 -2.123 402 1HG GLU 53 HG2 GLU 53 -22.037 -8.472 0.332 403 2HG GLU 53 HG1 GLU 53 -23.016 -7.567 -0.823 404 H VAL 54 HN VAL 54 -17.590 -8.942 -0.652 405 HA VAL 54 HA VAL 54 -16.327 -8.114 -3.019 406 HB VAL 54 HB VAL 54 -15.074 -10.360 -1.534 407 1HG1 VAL 54 HG12 VAL 54 -13.931 -8.946 -3.267 408 2HG1 VAL 54 HG11 VAL 54 -14.050 -7.588 -2.141 409 3HG1 VAL 54 HG13 VAL 54 -13.117 -9.017 -1.701 410 1HG2 VAL 54 HG21 VAL 54 -15.792 -7.750 -0.209 411 2HG2 VAL 54 HG23 VAL 54 -16.143 -9.386 0.350 412 3HG2 VAL 54 HG22 VAL 54 -14.482 -8.793 0.351 413 HA PRO 55 HA PRO 55 -16.637 -12.541 -4.696 414 1HB PRO 55 HB2 PRO 55 -17.812 -14.510 -3.241 415 2HB PRO 55 HB1 PRO 55 -16.125 -14.024 -3.041 416 1HG PRO 55 HG2 PRO 55 -18.399 -13.604 -1.255 417 2HG PRO 55 HG1 PRO 55 -16.667 -13.495 -0.910 418 1HD PRO 55 HD2 PRO 55 -18.546 -11.358 -1.427 419 2HD PRO 55 HD1 PRO 55 -16.847 -11.250 -0.931 420 H VAL 56 HN VAL 56 -18.029 -12.518 -6.354 421 HA VAL 56 HA VAL 56 -20.942 -12.780 -5.855 422 HB VAL 56 HB VAL 56 -19.562 -11.000 -7.878 423 1HG1 VAL 56 HG12 VAL 56 -22.390 -11.961 -7.668 424 2HG1 VAL 56 HG11 VAL 56 -22.076 -10.321 -8.241 425 3HG1 VAL 56 HG13 VAL 56 -21.390 -11.703 -9.101 426 1HG2 VAL 56 HG21 VAL 56 -21.092 -10.493 -5.355 427 2HG2 VAL 56 HG23 VAL 56 -19.587 -9.767 -5.913 428 3HG2 VAL 56 HG22 VAL 56 -21.124 -9.296 -6.652 429 H SER 57 HN SER 57 -21.847 -14.422 -6.966 430 HA SER 57 HA SER 57 -20.226 -16.188 -8.496 431 1HB SER 57 HB2 SER 57 -23.191 -16.374 -8.254 432 2HB SER 57 HB1 SER 57 -22.011 -17.658 -8.370 433 HG SER 57 HG SER 57 -22.802 -16.165 -6.150 434 H LEU 58 HN LEU 58 -20.460 -16.829 -10.624 435 HA LEU 58 HA LEU 58 -21.976 -15.041 -12.444 436 1HB LEU 58 HB2 LEU 58 -19.170 -16.124 -12.665 437 2HB LEU 58 HB1 LEU 58 -20.083 -15.699 -14.110 438 HG LEU 58 HG LEU 58 -19.528 -13.836 -11.806 439 1HD1 LEU 58 HD23 LEU 58 -18.247 -13.984 -14.545 440 2HD1 LEU 58 HD22 LEU 58 -17.966 -12.715 -13.355 441 3HD1 LEU 58 HD21 LEU 58 -17.472 -14.375 -13.006 442 1HD2 LEU 58 HD11 LEU 58 -21.050 -13.558 -14.364 443 2HD2 LEU 58 HD13 LEU 58 -21.434 -12.950 -12.751 444 3HD2 LEU 58 HD12 LEU 58 -20.187 -12.164 -13.719 445 H LYS 59 HN LYS 59 -23.419 -16.961 -11.631 446 HA LYS 59 HA LYS 59 -23.086 -19.367 -13.302 447 1HB LYS 59 HB2 LYS 59 -24.067 -18.887 -10.666 448 2HB LYS 59 HB1 LYS 59 -25.432 -19.421 -11.629 449 1HG LYS 59 HG2 LYS 59 -22.776 -20.857 -11.497 450 2HG LYS 59 HG1 LYS 59 -24.174 -21.273 -10.509 451 1HD LYS 59 HD2 LYS 59 -24.200 -21.261 -13.534 452 2HD LYS 59 HD1 LYS 59 -23.882 -22.692 -12.565 453 1HE LYS 59 HE2 LYS 59 -26.105 -22.344 -11.451 454 2HE LYS 59 HE1 LYS 59 -26.424 -21.051 -12.606 455 1HZ LYS 59 HZ1 LYS 59 -25.652 -23.133 -14.164 456 2HZ LYS 59 HZ3 LYS 59 -26.576 -23.887 -12.951 457 3HZ LYS 59 HZ2 LYS 59 -27.260 -22.627 -13.887 458 H GLU 60 HN GLU 60 -23.761 -18.836 -15.337 459 HA GLU 60 HA GLU 60 -25.143 -18.287 -17.077 460 1HB GLU 60 HB2 GLU 60 -27.411 -18.588 -15.085 461 2HB GLU 60 HB1 GLU 60 -27.524 -18.659 -16.839 462 1HG GLU 60 HG2 GLU 60 -26.069 -20.673 -16.829 463 2HG GLU 60 HG1 GLU 60 -26.044 -20.620 -15.066 464 H ALA 61 HN ALA 61 -23.901 -16.185 -16.179 465 HA ALA 61 HA ALA 61 -25.609 -14.039 -15.283 466 1HB ALA 61 HB2 ALA 61 -22.778 -14.010 -16.367 467 2HB ALA 61 HB1 ALA 61 -23.598 -12.642 -15.610 468 3HB ALA 61 HB3 ALA 61 -23.250 -14.092 -14.668 469 H ILE 62 HN ILE 62 -26.688 -12.596 -16.453 470 HA ILE 62 HA ILE 62 -26.752 -12.840 -19.367 471 HB ILE 62 HB ILE 62 -28.361 -10.996 -17.596 472 1HG1 ILE 62 HG12 ILE 62 -29.070 -13.790 -18.521 473 2HG1 ILE 62 HG11 ILE 62 -28.690 -13.322 -16.866 474 1HG2 ILE 62 HG22 ILE 62 -28.128 -11.157 -20.369 475 2HG2 ILE 62 HG21 ILE 62 -29.647 -11.972 -19.998 476 3HG2 ILE 62 HG23 ILE 62 -29.380 -10.313 -19.457 477 1HD1 ILE 62 HD13 ILE 62 -31.015 -12.245 -18.476 478 2HD1 ILE 62 HD12 ILE 62 -31.124 -13.481 -17.223 479 3HD1 ILE 62 HD11 ILE 62 -30.630 -11.840 -16.803 480 H CYS 63 HN CYS 63 -25.740 -11.458 -20.691 481 HA CYS 63 HA CYS 63 -24.722 -8.902 -19.603 482 1HB CYS 63 HB2 CYS 63 -23.041 -10.910 -19.931 483 2HB CYS 63 HB1 CYS 63 -23.115 -10.429 -21.620 484 HG CYS 63 HG CYS 63 -22.546 -8.008 -19.960 485 H GLU 64 HN GLU 64 -25.130 -7.188 -20.797 486 HA GLU 64 HA GLU 64 -26.060 -7.502 -23.597 487 1HB GLU 64 HB2 GLU 64 -27.117 -5.587 -21.495 488 2HB GLU 64 HB1 GLU 64 -27.602 -5.617 -23.191 489 1HG GLU 64 HG2 GLU 64 -28.496 -7.876 -22.926 490 2HG GLU 64 HG1 GLU 64 -27.960 -7.913 -21.246 491 H VAL 65 HN VAL 65 -25.620 -5.655 -24.962 492 HA VAL 65 HA VAL 65 -23.153 -4.242 -24.149 493 HB VAL 65 HB VAL 65 -24.224 -4.375 -26.951 494 1HG1 VAL 65 HG13 VAL 65 -21.496 -4.019 -25.703 495 2HG1 VAL 65 HG12 VAL 65 -21.728 -4.346 -27.423 496 3HG1 VAL 65 HG11 VAL 65 -22.388 -2.876 -26.706 497 1HG2 VAL 65 HG21 VAL 65 -22.717 -6.523 -25.469 498 2HG2 VAL 65 HG23 VAL 65 -24.231 -6.675 -26.360 499 3HG2 VAL 65 HG22 VAL 65 -22.719 -6.402 -27.228 500 H ALA 66 HN ALA 66 -22.948 -2.071 -24.268 501 HA ALA 66 HA ALA 66 -25.065 -0.335 -25.284 502 1HB ALA 66 HB3 ALA 66 -25.624 -0.850 -22.865 503 2HB ALA 66 HB2 ALA 66 -24.093 -0.106 -22.418 504 3HB ALA 66 HB1 ALA 66 -25.345 0.861 -23.202 505 H LEU 67 HN LEU 67 -22.923 -0.588 -26.600 506 HA LEU 67 HA LEU 67 -20.441 0.231 -26.175 507 1HB LEU 67 HB2 LEU 67 -21.895 -0.187 -28.393 508 2HB LEU 67 HB1 LEU 67 -21.682 1.550 -28.530 509 HG LEU 67 HG LEU 67 -19.154 0.761 -27.895 510 1HD1 LEU 67 HD12 LEU 67 -20.396 -1.442 -29.540 511 2HD1 LEU 67 HD11 LEU 67 -18.661 -1.192 -29.368 512 3HD1 LEU 67 HD13 LEU 67 -19.635 -1.596 -27.955 513 1HD2 LEU 67 HD21 LEU 67 -20.545 1.288 -30.481 514 2HD2 LEU 67 HD23 LEU 67 -19.296 2.226 -29.657 515 3HD2 LEU 67 HD22 LEU 67 -18.869 0.742 -30.509 516 H ASP 68 HN ASP 68 -22.923 2.620 -27.027 517 HA ASP 68 HA ASP 68 -21.269 4.729 -25.734 518 1HB ASP 68 HB2 ASP 68 -21.749 4.841 -28.276 519 2HB ASP 68 HB1 ASP 68 -23.393 5.266 -27.817 520 H TYR 69 HN TYR 69 -22.360 3.800 -23.767 521 HA TYR 69 HA TYR 69 -25.162 4.311 -23.340 522 1HB TYR 69 HB2 TYR 69 -24.019 2.502 -22.152 523 2HB TYR 69 HB1 TYR 69 -22.938 3.659 -21.387 524 HD1 TYR 69 HD1 TYR 69 -26.634 3.228 -21.839 525 HD2 TYR 69 HD2 TYR 69 -23.414 4.134 -19.184 526 HE1 TYR 69 HE1 TYR 69 -28.233 3.477 -19.984 527 HE2 TYR 69 HE2 TYR 69 -25.016 4.373 -17.327 528 HH TYR 69 HH TYR 69 -27.530 4.956 -17.122 529 H LYS 70 HN LYS 70 -25.160 6.526 -24.031 530 HA LYS 70 HA LYS 70 -25.381 8.760 -23.680 531 1HB LYS 70 HB2 LYS 70 -24.948 8.013 -20.772 532 2HB LYS 70 HB1 LYS 70 -25.464 9.597 -21.339 533 1HG LYS 70 HG2 LYS 70 -27.582 8.912 -21.734 534 2HG LYS 70 HG1 LYS 70 -27.073 7.359 -22.389 535 1HD LYS 70 HD2 LYS 70 -26.602 6.628 -20.014 536 2HD LYS 70 HD1 LYS 70 -27.381 8.117 -19.480 537 1HE LYS 70 HE2 LYS 70 -29.369 7.332 -20.971 538 2HE LYS 70 HE1 LYS 70 -28.595 5.752 -20.880 539 1HZ LYS 70 HZ2 LYS 70 -28.640 6.743 -18.301 540 2HZ LYS 70 HZ1 LYS 70 -30.184 7.067 -18.955 541 3HZ LYS 70 HZ3 LYS 70 -29.585 5.476 -18.943 542 H LYS 71 HN LYS 71 -23.230 8.411 -24.887 543 HA LYS 71 HA LYS 71 -21.158 9.178 -25.423 544 1HB LYS 71 HB2 LYS 71 -21.912 11.188 -23.306 545 2HB LYS 71 HB1 LYS 71 -20.384 11.272 -24.172 546 1HG LYS 71 HG2 LYS 71 -21.529 12.491 -25.681 547 2HG LYS 71 HG1 LYS 71 -22.136 10.935 -26.236 548 1HD LYS 71 HD2 LYS 71 -23.882 11.487 -24.207 549 2HD LYS 71 HD1 LYS 71 -23.525 13.109 -24.797 550 1HE LYS 71 HE2 LYS 71 -24.536 10.774 -26.454 551 2HE LYS 71 HE1 LYS 71 -25.471 12.179 -25.955 552 1HZ LYS 71 HZ1 LYS 71 -23.077 12.271 -27.718 553 2HZ LYS 71 HZ3 LYS 71 -24.696 12.347 -28.247 554 3HZ LYS 71 HZ2 LYS 71 -24.057 13.591 -27.274 555 H LYS 72 HN LYS 72 -20.227 7.184 -24.751 556 HA LYS 72 HA LYS 72 -18.195 7.562 -22.675 557 1HB LYS 72 HB2 LYS 72 -20.283 5.386 -22.596 558 2HB LYS 72 HB1 LYS 72 -18.717 5.206 -21.803 559 1HG LYS 72 HG2 LYS 72 -19.244 7.465 -20.679 560 2HG LYS 72 HG1 LYS 72 -20.901 7.200 -21.213 561 1HD LYS 72 HD2 LYS 72 -21.143 5.278 -19.872 562 2HD LYS 72 HD1 LYS 72 -19.405 5.125 -19.622 563 1HE LYS 72 HE2 LYS 72 -20.916 7.542 -18.643 564 2HE LYS 72 HE1 LYS 72 -20.852 6.064 -17.693 565 1HZ LYS 72 HZ2 LYS 72 -18.328 7.152 -18.698 566 2HZ LYS 72 HZ1 LYS 72 -19.087 7.954 -17.393 567 3HZ LYS 72 HZ3 LYS 72 -18.651 6.317 -17.247 568 H LYS 73 HN LYS 73 -16.657 5.600 -22.708 569 HA LYS 73 HA LYS 73 -15.616 5.314 -25.338 570 1HB LYS 73 HB2 LYS 73 -14.926 4.006 -22.709 571 2HB LYS 73 HB1 LYS 73 -14.042 3.676 -24.193 572 1HG LYS 73 HG2 LYS 73 -14.446 6.526 -23.388 573 2HG LYS 73 HG1 LYS 73 -13.263 5.570 -22.501 574 1HD LYS 73 HD2 LYS 73 -13.194 5.404 -25.472 575 2HD LYS 73 HD1 LYS 73 -12.668 6.923 -24.749 576 1HE LYS 73 HE2 LYS 73 -10.703 6.021 -24.134 577 2HE LYS 73 HE1 LYS 73 -11.499 4.662 -23.346 578 1HZ LYS 73 HZ1 LYS 73 -10.923 4.875 -26.256 579 2HZ LYS 73 HZ3 LYS 73 -10.032 3.953 -25.132 580 3HZ LYS 73 HZ2 LYS 73 -11.655 3.548 -25.469 581 H HIS 74 HN HIS 74 -16.304 2.576 -23.183 582 HA HIS 74 HA HIS 74 -17.908 1.215 -25.223 583 1HB HIS 74 HB2 HIS 74 -15.129 0.431 -24.398 584 2HB HIS 74 HB1 HIS 74 -16.298 -0.846 -24.722 585 HD1 HIS 74 HD1 HIS 74 -13.987 1.403 -26.376 586 HD2 HIS 74 HD2 HIS 74 -17.377 -0.696 -27.478 587 HE1 HIS 74 HE1 HIS 74 -13.932 1.361 -28.874 588 H VAL 75 HN VAL 75 -19.570 1.382 -23.706 589 HA VAL 75 HA VAL 75 -19.223 0.080 -21.089 590 HB VAL 75 HB VAL 75 -21.457 1.795 -22.179 591 1HG1 VAL 75 HG12 VAL 75 -21.103 0.477 -19.498 592 2HG1 VAL 75 HG11 VAL 75 -22.082 1.929 -19.700 593 3HG1 VAL 75 HG13 VAL 75 -22.511 0.453 -20.563 594 1HG2 VAL 75 HG21 VAL 75 -19.045 2.729 -21.512 595 2HG2 VAL 75 HG23 VAL 75 -20.529 3.612 -21.186 596 3HG2 VAL 75 HG22 VAL 75 -19.766 2.675 -19.905 597 H PHE 76 HN PHE 76 -20.770 -1.405 -20.304 598 HA PHE 76 HA PHE 76 -22.683 -2.689 -22.047 599 1HB PHE 76 HB2 PHE 76 -21.724 -4.931 -21.887 600 2HB PHE 76 HB1 PHE 76 -20.639 -3.852 -22.741 601 HD1 PHE 76 HD1 PHE 76 -18.606 -2.958 -21.551 602 HD2 PHE 76 HD2 PHE 76 -21.038 -6.084 -19.959 603 HE1 PHE 76 HE1 PHE 76 -16.754 -3.651 -20.079 604 HE2 PHE 76 HE2 PHE 76 -19.195 -6.769 -18.478 605 HZ PHE 76 HZ PHE 76 -17.050 -5.555 -18.541 606 H LYS 77 HN LYS 77 -23.841 -4.455 -20.759 607 HA LYS 77 HA LYS 77 -23.914 -3.674 -17.891 608 1HB LYS 77 HB2 LYS 77 -26.326 -4.849 -19.175 609 2HB LYS 77 HB1 LYS 77 -26.196 -3.659 -17.889 610 1HG LYS 77 HG2 LYS 77 -25.227 -2.122 -19.794 611 2HG LYS 77 HG1 LYS 77 -26.058 -3.252 -20.861 612 1HD LYS 77 HD2 LYS 77 -27.351 -1.708 -18.595 613 2HD LYS 77 HD1 LYS 77 -27.437 -1.269 -20.297 614 1HE LYS 77 HE2 LYS 77 -29.290 -2.508 -20.426 615 2HE LYS 77 HE1 LYS 77 -28.268 -3.930 -20.252 616 1HZ LYS 77 HZ2 LYS 77 -29.198 -2.482 -17.855 617 2HZ LYS 77 HZ1 LYS 77 -30.231 -3.578 -18.648 618 3HZ LYS 77 HZ3 LYS 77 -28.748 -4.120 -18.024 619 H LEU 78 HN LEU 78 -24.361 -5.224 -16.366 620 HA LEU 78 HA LEU 78 -24.153 -8.058 -17.160 621 1HB LEU 78 HB2 LEU 78 -21.946 -7.037 -16.346 622 2HB LEU 78 HB1 LEU 78 -22.699 -6.883 -14.783 623 HG LEU 78 HG LEU 78 -21.218 -8.965 -15.436 624 1HD1 LEU 78 HD22 LEU 78 -22.524 -8.447 -13.307 625 2HD1 LEU 78 HD21 LEU 78 -23.768 -9.516 -13.954 626 3HD1 LEU 78 HD23 LEU 78 -22.147 -10.134 -13.642 627 1HD2 LEU 78 HD13 LEU 78 -22.698 -9.523 -17.397 628 2HD2 LEU 78 HD12 LEU 78 -22.386 -10.846 -16.274 629 3HD2 LEU 78 HD11 LEU 78 -23.930 -10.003 -16.226 630 H ARG 79 HN ARG 79 -25.836 -9.128 -16.373 631 HA ARG 79 HA ARG 79 -27.078 -8.262 -13.820 632 1HB ARG 79 HB2 ARG 79 -28.446 -7.901 -15.945 633 2HB ARG 79 HB1 ARG 79 -28.521 -9.651 -16.080 634 1HG ARG 79 HG2 ARG 79 -29.664 -9.845 -13.977 635 2HG ARG 79 HG1 ARG 79 -29.424 -8.140 -13.627 636 1HD ARG 79 HD2 ARG 79 -31.147 -9.310 -15.828 637 2HD ARG 79 HD1 ARG 79 -31.712 -8.495 -14.370 638 HE ARG 79 HE ARG 79 -30.727 -6.408 -15.256 639 1HH1 ARG 79 HH21 ARG 79 -29.056 -6.520 -17.398 640 2HH1 ARG 79 HH22 ARG 79 -30.006 -6.649 -18.851 641 1HH2 ARG 79 HH11 ARG 79 -32.917 -7.706 -17.146 642 2HH2 ARG 79 HH12 ARG 79 -32.220 -7.340 -18.709 643 H LEU 80 HN LEU 80 -27.274 -9.810 -12.297 644 HA LEU 80 HA LEU 80 -25.859 -12.281 -12.616 645 1HB LEU 80 HB2 LEU 80 -27.565 -11.174 -10.380 646 2HB LEU 80 HB1 LEU 80 -26.678 -12.691 -10.268 647 HG LEU 80 HG LEU 80 -25.501 -9.944 -10.714 648 1HD1 LEU 80 HD13 LEU 80 -26.291 -10.570 -8.394 649 2HD1 LEU 80 HD12 LEU 80 -25.043 -11.819 -8.403 650 3HD1 LEU 80 HD11 LEU 80 -24.591 -10.117 -8.537 651 1HD2 LEU 80 HD22 LEU 80 -24.338 -12.672 -10.977 652 2HD2 LEU 80 HD21 LEU 80 -23.982 -11.196 -11.877 653 3HD2 LEU 80 HD23 LEU 80 -23.340 -11.412 -10.249 654 H SER 81 HN SER 81 -27.114 -14.250 -11.446 655 HA SER 81 HA SER 81 -28.819 -15.362 -13.368 656 1HB SER 81 HB2 SER 81 -28.935 -16.377 -10.561 657 2HB SER 81 HB1 SER 81 -28.772 -17.260 -12.077 658 HG SER 81 HG SER 81 -26.630 -16.897 -12.103 659 H ASP 82 HN ASP 82 -29.574 -13.920 -10.223 660 HA ASP 82 HA ASP 82 -32.192 -13.075 -11.042 661 1HB ASP 82 HB2 ASP 82 -32.636 -15.488 -10.659 662 2HB ASP 82 HB1 ASP 82 -32.010 -15.342 -9.023 663 H GLY 83 HN GLY 83 -30.743 -11.185 -10.275 664 1HA GLY 83 HA2 GLY 83 -31.620 -10.263 -7.763 665 2HA GLY 83 HA1 GLY 83 -29.994 -10.911 -7.572 666 H ASN 84 HN ASN 84 -28.553 -9.386 -7.563 667 HA ASN 84 HA ASN 84 -28.851 -6.730 -8.276 668 1HB ASN 84 HB2 ASN 84 -26.228 -8.232 -8.202 669 2HB ASN 84 HB1 ASN 84 -26.470 -6.504 -7.970 670 1HD2 ASN 84 HD22 ASN 84 -26.068 -7.761 -4.588 671 2HD2 ASN 84 HD21 ASN 84 -25.140 -7.384 -6.008 672 H GLU 85 HN GLU 85 -27.828 -5.422 -9.828 673 HA GLU 85 HA GLU 85 -26.922 -6.604 -12.350 674 1HB GLU 85 HB2 GLU 85 -28.872 -6.162 -13.449 675 2HB GLU 85 HB1 GLU 85 -29.573 -5.516 -11.971 676 1HG GLU 85 HG2 GLU 85 -28.772 -3.298 -12.482 677 2HG GLU 85 HG1 GLU 85 -27.830 -3.898 -13.850 678 H TYR 86 HN TYR 86 -25.348 -5.347 -13.295 679 HA TYR 86 HA TYR 86 -24.830 -2.639 -12.207 680 1HB TYR 86 HB2 TYR 86 -22.682 -4.728 -12.587 681 2HB TYR 86 HB1 TYR 86 -22.498 -3.125 -11.892 682 HD1 TYR 86 HD2 TYR 86 -23.980 -6.460 -11.366 683 HD2 TYR 86 HD1 TYR 86 -22.893 -2.731 -9.583 684 HE1 TYR 86 HE2 TYR 86 -24.394 -7.411 -9.140 685 HE2 TYR 86 HE1 TYR 86 -23.331 -3.689 -7.348 686 HH TYR 86 HH TYR 86 -23.773 -7.061 -6.843 687 H LEU 87 HN LEU 87 -23.352 -1.393 -13.482 688 HA LEU 87 HA LEU 87 -23.367 -2.059 -16.371 689 1HB LEU 87 HB2 LEU 87 -23.008 0.631 -15.005 690 2HB LEU 87 HB1 LEU 87 -22.984 0.354 -16.742 691 HG LEU 87 HG LEU 87 -25.306 0.180 -14.844 692 1HD1 LEU 87 HD12 LEU 87 -24.503 2.303 -16.128 693 2HD1 LEU 87 HD11 LEU 87 -25.257 1.527 -17.523 694 3HD1 LEU 87 HD13 LEU 87 -26.221 1.910 -16.092 695 1HD2 LEU 87 HD23 LEU 87 -24.987 -1.137 -17.518 696 2HD2 LEU 87 HD22 LEU 87 -25.749 -1.754 -16.047 697 3HD2 LEU 87 HD21 LEU 87 -26.564 -0.520 -17.012 698 H PHE 88 HN PHE 88 -21.420 -2.219 -17.404 699 HA PHE 88 HA PHE 88 -18.964 -1.644 -15.865 700 1HB PHE 88 HB2 PHE 88 -19.714 -4.117 -17.389 701 2HB PHE 88 HB1 PHE 88 -18.028 -3.686 -17.136 702 HD1 PHE 88 HD1 PHE 88 -17.113 -3.559 -14.824 703 HD2 PHE 88 HD2 PHE 88 -21.023 -5.065 -15.636 704 HE1 PHE 88 HE1 PHE 88 -17.179 -4.594 -12.590 705 HE2 PHE 88 HE2 PHE 88 -21.091 -6.098 -13.412 706 HZ PHE 88 HZ PHE 88 -19.150 -5.929 -11.908 707 H GLN 89 HN GLN 89 -17.226 -0.854 -17.074 708 HA GLN 89 HA GLN 89 -17.629 -0.540 -19.963 709 1HB GLN 89 HB2 GLN 89 -17.959 1.654 -19.922 710 2HB GLN 89 HB1 GLN 89 -18.144 1.541 -18.187 711 1HG GLN 89 HG2 GLN 89 -16.575 3.173 -18.264 712 2HG GLN 89 HG1 GLN 89 -15.499 1.790 -18.232 713 1HE2 GLN 89 HE22 GLN 89 -13.943 3.234 -21.010 714 2HE2 GLN 89 HE21 GLN 89 -13.841 2.829 -19.326 715 H ALA 90 HN ALA 90 -15.883 -0.715 -21.168 716 HA ALA 90 HA ALA 90 -13.331 -1.348 -19.811 717 1HB ALA 90 HB3 ALA 90 -14.575 -3.043 -21.310 718 2HB ALA 90 HB2 ALA 90 -14.009 -2.054 -22.658 719 3HB ALA 90 HB1 ALA 90 -12.845 -2.814 -21.569 720 H LYS 91 HN LYS 91 -11.365 -0.754 -20.902 721 HA LYS 91 HA LYS 91 -11.396 1.996 -21.817 722 1HB LYS 91 HB2 LYS 91 -9.119 0.051 -21.372 723 2HB LYS 91 HB1 LYS 91 -8.941 1.771 -21.707 724 1HG LYS 91 HG2 LYS 91 -8.853 1.889 -19.431 725 2HG LYS 91 HG1 LYS 91 -10.599 1.950 -19.619 726 1HD LYS 91 HD2 LYS 91 -10.168 0.370 -17.894 727 2HD LYS 91 HD1 LYS 91 -10.625 -0.565 -19.309 728 1HE LYS 91 HE2 LYS 91 -8.145 -0.856 -19.778 729 2HE LYS 91 HE1 LYS 91 -7.852 -0.158 -18.190 730 1HZ LYS 91 HZ3 LYS 91 -9.441 -1.982 -17.377 731 2HZ LYS 91 HZ2 LYS 91 -9.154 -2.724 -18.877 732 3HZ LYS 91 HZ1 LYS 91 -7.860 -2.432 -17.802 733 H ASP 92 HN ASP 92 -10.660 -1.179 -23.155 734 HA ASP 92 HA ASP 92 -10.339 -0.001 -25.866 735 1HB ASP 92 HB2 ASP 92 -8.394 -1.319 -24.756 736 2HB ASP 92 HB1 ASP 92 -9.378 -2.746 -25.048 737 H ASP 93 HN ASP 93 -11.419 -1.026 -27.604 738 HA ASP 93 HA ASP 93 -13.988 -2.111 -27.025 739 1HB ASP 93 HB2 ASP 93 -14.449 -1.763 -29.217 740 2HB ASP 93 HB1 ASP 93 -12.942 -0.861 -29.202 741 H GLU 94 HN GLU 94 -10.894 -3.548 -27.843 742 HA GLU 94 HA GLU 94 -11.794 -6.220 -28.291 743 1HB GLU 94 HB2 GLU 94 -9.495 -5.091 -28.814 744 2HB GLU 94 HB1 GLU 94 -9.082 -5.545 -27.169 745 1HG GLU 94 HG2 GLU 94 -10.301 -7.717 -28.759 746 2HG GLU 94 HG1 GLU 94 -8.766 -7.138 -29.395 747 H GLU 95 HN GLU 95 -10.550 -4.479 -25.474 748 HA GLU 95 HA GLU 95 -10.572 -6.527 -23.551 749 1HB GLU 95 HB2 GLU 95 -9.697 -4.049 -23.461 750 2HB GLU 95 HB1 GLU 95 -11.301 -3.709 -22.828 751 1HG GLU 95 HG2 GLU 95 -10.757 -5.724 -21.220 752 2HG GLU 95 HG1 GLU 95 -9.089 -5.353 -21.644 753 H MET 96 HN MET 96 -13.098 -4.252 -24.555 754 HA MET 96 HA MET 96 -15.119 -4.931 -22.719 755 1HB MET 96 HB2 MET 96 -15.039 -3.012 -24.428 756 2HB MET 96 HB1 MET 96 -15.628 -4.182 -25.600 757 1HG MET 96 HG2 MET 96 -17.457 -4.621 -23.724 758 2HG MET 96 HG1 MET 96 -17.007 -2.993 -23.233 759 1HE MET 96 HE1 MET 96 -17.656 -5.220 -26.119 760 2HE MET 96 HE3 MET 96 -19.301 -4.706 -26.512 761 3HE MET 96 HE2 MET 96 -17.939 -4.108 -27.456 762 H ASN 97 HN ASN 97 -14.284 -6.304 -25.886 763 HA ASN 97 HA ASN 97 -16.399 -8.225 -25.974 764 1HB ASN 97 HB2 ASN 97 -14.765 -7.240 -27.837 765 2HB ASN 97 HB1 ASN 97 -13.824 -8.668 -27.433 766 1HD2 ASN 97 HD22 ASN 97 -16.390 -9.315 -30.170 767 2HD2 ASN 97 HD21 ASN 97 -15.242 -8.027 -29.906 768 H THR 98 HN THR 98 -13.033 -8.295 -24.839 769 HA THR 98 HA THR 98 -12.833 -11.085 -24.334 770 HB THR 98 HB THR 98 -11.384 -8.956 -22.755 771 HG1 THR 98 HG1 THR 98 -11.341 -9.394 -25.455 772 1HG2 THR 98 HG22 THR 98 -11.014 -11.294 -22.091 773 2HG2 THR 98 HG21 THR 98 -10.544 -11.689 -23.745 774 3HG2 THR 98 HG23 THR 98 -9.557 -10.584 -22.785 775 H TRP 99 HN TRP 99 -13.734 -8.348 -22.231 776 HA TRP 99 HA TRP 99 -14.101 -9.770 -19.825 777 1HB TRP 99 HB2 TRP 99 -15.177 -7.170 -20.888 778 2HB TRP 99 HB1 TRP 99 -15.773 -7.806 -19.361 779 HD1 TRP 99 HD1 TRP 99 -13.188 -5.528 -20.589 780 HE1 TRP 99 HE1 TRP 99 -11.350 -5.192 -18.847 781 HE3 TRP 99 HE3 TRP 99 -14.264 -9.408 -17.414 782 HZ2 TRP 99 HZ2 TRP 99 -10.463 -6.364 -16.462 783 HZ3 TRP 99 HZ3 TRP 99 -12.871 -9.731 -15.407 784 HH2 TRP 99 HH2 TRP 99 -10.989 -8.227 -14.932 785 H ILE 100 HN ILE 100 -16.511 -8.858 -22.302 786 HA ILE 100 HA ILE 100 -18.755 -10.046 -21.091 787 HB ILE 100 HB ILE 100 -18.092 -9.430 -23.970 788 1HG1 ILE 100 HG12 ILE 100 -20.019 -8.129 -22.036 789 2HG1 ILE 100 HG11 ILE 100 -18.392 -7.547 -22.355 790 1HG2 ILE 100 HG23 ILE 100 -20.583 -10.650 -22.813 791 2HG2 ILE 100 HG22 ILE 100 -20.650 -9.646 -24.260 792 3HG2 ILE 100 HG21 ILE 100 -19.684 -11.121 -24.260 793 1HD1 ILE 100 HD12 ILE 100 -19.050 -7.361 -24.792 794 2HD1 ILE 100 HD11 ILE 100 -20.711 -7.687 -24.289 795 3HD1 ILE 100 HD13 ILE 100 -19.879 -6.243 -23.706 796 H GLN 101 HN GLN 101 -16.436 -11.406 -23.447 797 HA GLN 101 HA GLN 101 -17.688 -13.941 -23.730 798 1HB GLN 101 HB2 GLN 101 -14.897 -12.926 -24.224 799 2HB GLN 101 HB1 GLN 101 -15.280 -14.637 -24.409 800 1HG GLN 101 HG2 GLN 101 -16.933 -14.159 -26.097 801 2HG GLN 101 HG1 GLN 101 -16.780 -12.422 -25.824 802 1HE2 GLN 101 HE22 GLN 101 -13.725 -12.094 -27.583 803 2HE2 GLN 101 HE21 GLN 101 -14.732 -11.424 -26.348 804 H ALA 102 HN ALA 102 -15.179 -12.744 -21.527 805 HA ALA 102 HA ALA 102 -14.579 -15.237 -20.291 806 1HB ALA 102 HB3 ALA 102 -13.113 -13.195 -20.246 807 2HB ALA 102 HB2 ALA 102 -14.235 -12.483 -19.085 808 3HB ALA 102 HB1 ALA 102 -13.357 -13.958 -18.675 809 H ILE 103 HN ILE 103 -16.816 -12.604 -19.445 810 HA ILE 103 HA ILE 103 -17.702 -13.668 -16.957 811 HB ILE 103 HB ILE 103 -18.867 -11.699 -18.921 812 1HG1 ILE 103 HG12 ILE 103 -18.048 -11.120 -16.097 813 2HG1 ILE 103 HG11 ILE 103 -16.810 -11.310 -17.329 814 1HG2 ILE 103 HG23 ILE 103 -20.113 -12.745 -16.394 815 2HG2 ILE 103 HG22 ILE 103 -20.408 -11.096 -16.938 816 3HG2 ILE 103 HG21 ILE 103 -20.858 -12.455 -17.967 817 1HD1 ILE 103 HD11 ILE 103 -18.371 -9.602 -18.647 818 2HD1 ILE 103 HD13 ILE 103 -18.845 -9.160 -17.005 819 3HD1 ILE 103 HD12 ILE 103 -17.151 -9.053 -17.498 820 H SER 104 HN SER 104 -18.678 -14.226 -20.287 821 HA SER 104 HA SER 104 -21.093 -15.663 -19.723 822 1HB SER 104 HB2 SER 104 -19.342 -15.778 -22.196 823 2HB SER 104 HB1 SER 104 -21.017 -16.310 -22.072 824 HG SER 104 HG SER 104 -19.997 -13.656 -21.913 825 H SER 105 HN SER 105 -17.707 -16.587 -20.220 826 HA SER 105 HA SER 105 -18.195 -19.434 -20.114 827 1HB SER 105 HB2 SER 105 -15.603 -17.894 -19.806 828 2HB SER 105 HB1 SER 105 -15.766 -19.621 -20.112 829 HG SER 105 HG SER 105 -16.993 -18.926 -22.071 830 H ALA 106 HN ALA 106 -16.626 -17.094 -17.926 831 HA ALA 106 HA ALA 106 -16.311 -17.019 -15.681 832 1HB ALA 106 HB3 ALA 106 -18.875 -17.423 -15.872 833 2HB ALA 106 HB2 ALA 106 -18.500 -19.044 -15.285 834 3HB ALA 106 HB1 ALA 106 -18.088 -17.630 -14.310 No H/Q in entry = 834 Start of MODEL 11 1 1H MET 1 HT3 MET 1 -8.461 -13.242 -15.961 2 2H MET 1 HT2 MET 1 -9.686 -13.819 -17.002 3 3H MET 1 HT1 MET 1 -8.041 -14.021 -17.414 4 HA MET 1 HA MET 1 -7.775 -11.923 -18.127 5 1HB MET 1 HB2 MET 1 -10.739 -12.462 -18.371 6 2HB MET 1 HB1 MET 1 -9.992 -11.039 -19.086 7 1HG MET 1 HG2 MET 1 -9.043 -12.215 -20.754 8 2HG MET 1 HG1 MET 1 -8.562 -13.527 -19.690 9 1HE MET 1 HE3 MET 1 -9.558 -15.707 -19.576 10 2HE MET 1 HE2 MET 1 -10.719 -16.294 -20.764 11 3HE MET 1 HE1 MET 1 -9.183 -15.616 -21.302 12 H GLU 2 HN GLU 2 -7.292 -11.465 -15.732 13 HA GLU 2 HA GLU 2 -9.111 -9.843 -14.215 14 1HB GLU 2 HB2 GLU 2 -6.185 -10.565 -13.962 15 2HB GLU 2 HB1 GLU 2 -6.959 -9.438 -12.859 16 1HG GLU 2 HG2 GLU 2 -6.828 -11.882 -12.110 17 2HG GLU 2 HG1 GLU 2 -8.392 -11.093 -11.982 18 H GLY 3 HN GLY 3 -9.038 -7.585 -13.884 19 1HA GLY 3 HA2 GLY 3 -7.086 -5.795 -14.770 20 2HA GLY 3 HA1 GLY 3 -8.249 -5.966 -16.081 21 H PHE 4 HN PHE 4 -8.208 -3.560 -15.364 22 HA PHE 4 HA PHE 4 -9.917 -2.915 -13.082 23 1HB PHE 4 HB2 PHE 4 -8.373 -1.326 -15.099 24 2HB PHE 4 HB1 PHE 4 -9.646 -0.543 -14.179 25 HD1 PHE 4 HD1 PHE 4 -9.509 -0.539 -11.652 26 HD2 PHE 4 HD2 PHE 4 -6.249 -1.719 -14.151 27 HE1 PHE 4 HE1 PHE 4 -7.945 -0.225 -9.769 28 HE2 PHE 4 HE2 PHE 4 -4.688 -1.399 -12.270 29 HZ PHE 4 HZ PHE 4 -5.555 -0.582 -10.082 30 H LEU 5 HN LEU 5 -11.938 -1.954 -13.232 31 HA LEU 5 HA LEU 5 -13.276 -1.697 -15.822 32 1HB LEU 5 HB2 LEU 5 -13.833 -3.837 -13.824 33 2HB LEU 5 HB1 LEU 5 -15.227 -3.042 -14.533 34 HG LEU 5 HG LEU 5 -13.010 -4.382 -16.084 35 1HD1 LEU 5 HD13 LEU 5 -15.707 -5.289 -15.164 36 2HD1 LEU 5 HD12 LEU 5 -15.030 -5.914 -16.669 37 3HD1 LEU 5 HD11 LEU 5 -14.165 -6.153 -15.150 38 1HD2 LEU 5 HD22 LEU 5 -15.380 -2.764 -16.869 39 2HD2 LEU 5 HD21 LEU 5 -13.795 -2.895 -17.637 40 3HD2 LEU 5 HD23 LEU 5 -14.985 -4.173 -17.855 41 H ASN 6 HN ASN 6 -15.007 -0.284 -15.751 42 HA ASN 6 HA ASN 6 -15.292 1.322 -13.301 43 1HB ASN 6 HB2 ASN 6 -15.127 2.114 -15.915 44 2HB ASN 6 HB1 ASN 6 -16.867 2.050 -15.694 45 1HD2 ASN 6 HD22 ASN 6 -15.672 5.446 -14.771 46 2HD2 ASN 6 HD21 ASN 6 -15.597 4.437 -16.180 47 H ARG 7 HN ARG 7 -16.932 0.878 -11.919 48 HA ARG 7 HA ARG 7 -19.146 -0.819 -12.921 49 1HB ARG 7 HB2 ARG 7 -17.511 -1.586 -11.060 50 2HB ARG 7 HB1 ARG 7 -18.429 -0.504 -10.018 51 1HG ARG 7 HG2 ARG 7 -20.443 -1.731 -10.357 52 2HG ARG 7 HG1 ARG 7 -19.753 -2.624 -11.710 53 1HD ARG 7 HD2 ARG 7 -19.557 -4.221 -10.063 54 2HD ARG 7 HD1 ARG 7 -18.006 -3.407 -9.859 55 HE ARG 7 HE ARG 7 -19.952 -2.149 -8.210 56 1HH1 ARG 7 HH21 ARG 7 -17.325 -2.855 -7.041 57 2HH1 ARG 7 HH22 ARG 7 -17.689 -4.181 -5.973 58 1HH2 ARG 7 HH11 ARG 7 -20.789 -4.868 -7.496 59 2HH2 ARG 7 HH12 ARG 7 -19.679 -5.348 -6.246 60 H LYS 8 HN LYS 8 -21.134 -0.083 -12.934 61 HA LYS 8 HA LYS 8 -21.919 2.230 -11.251 62 1HB LYS 8 HB2 LYS 8 -21.619 2.666 -13.795 63 2HB LYS 8 HB1 LYS 8 -23.091 1.733 -13.977 64 1HG LYS 8 HG2 LYS 8 -23.878 3.441 -12.031 65 2HG LYS 8 HG1 LYS 8 -22.695 4.453 -12.854 66 1HD LYS 8 HD2 LYS 8 -24.170 4.895 -14.474 67 2HD LYS 8 HD1 LYS 8 -24.313 3.179 -14.838 68 1HE LYS 8 HE2 LYS 8 -26.076 2.921 -13.190 69 2HE LYS 8 HE1 LYS 8 -25.860 4.583 -12.641 70 1HZ LYS 8 HZ1 LYS 8 -26.429 4.260 -15.472 71 2HZ LYS 8 HZ3 LYS 8 -27.696 3.833 -14.421 72 3HZ LYS 8 HZ2 LYS 8 -27.022 5.399 -14.355 73 H HIS 9 HN HIS 9 -23.524 1.653 -9.900 74 HA HIS 9 HA HIS 9 -24.942 -0.853 -10.343 75 1HB HIS 9 HB2 HIS 9 -24.978 1.095 -8.034 76 2HB HIS 9 HB1 HIS 9 -25.947 -0.371 -8.094 77 HD1 HIS 9 HD1 HIS 9 -24.745 -1.619 -6.208 78 HD2 HIS 9 HD2 HIS 9 -22.169 -0.338 -9.177 79 HE1 HIS 9 HE1 HIS 9 -22.567 -2.752 -5.712 80 H GLU 10 HN GLU 10 -26.487 -0.764 -11.793 81 HA GLU 10 HA GLU 10 -28.161 1.555 -12.212 82 1HB GLU 10 HB2 GLU 10 -27.566 -0.977 -13.576 83 2HB GLU 10 HB1 GLU 10 -29.272 -0.562 -13.639 84 1HG GLU 10 HG2 GLU 10 -27.095 1.392 -14.381 85 2HG GLU 10 HG1 GLU 10 -27.836 0.301 -15.546 86 H TRP 11 HN TRP 11 -28.436 -1.623 -10.735 87 HA TRP 11 HA TRP 11 -30.796 -0.856 -9.229 88 1HB TRP 11 HB2 TRP 11 -31.525 -1.572 -11.609 89 2HB TRP 11 HB1 TRP 11 -31.038 -3.187 -11.141 90 HD1 TRP 11 HD1 TRP 11 -33.648 -0.478 -10.134 91 HE1 TRP 11 HE1 TRP 11 -35.654 -1.716 -9.138 92 HE3 TRP 11 HE3 TRP 11 -31.799 -5.234 -10.110 93 HZ2 TRP 11 HZ2 TRP 11 -36.375 -4.347 -8.433 94 HZ3 TRP 11 HZ3 TRP 11 -33.192 -7.076 -9.268 95 HH2 TRP 11 HH2 TRP 11 -35.450 -6.643 -8.440 96 H GLU 12 HN GLU 12 -30.509 -1.784 -7.273 97 HA GLU 12 HA GLU 12 -29.433 -4.490 -7.016 98 1HB GLU 12 HB2 GLU 12 -27.723 -3.700 -5.337 99 2HB GLU 12 HB1 GLU 12 -27.373 -3.276 -7.008 100 1HG GLU 12 HG2 GLU 12 -28.008 -1.006 -6.684 101 2HG GLU 12 HG1 GLU 12 -28.793 -1.363 -5.144 102 H ALA 13 HN ALA 13 -31.958 -3.908 -6.487 103 HA ALA 13 HA ALA 13 -32.269 -4.531 -3.718 104 1HB ALA 13 HB1 ALA 13 -31.905 -2.078 -3.523 105 2HB ALA 13 HB3 ALA 13 -33.262 -1.806 -4.621 106 3HB ALA 13 HB2 ALA 13 -33.538 -2.544 -3.038 107 H HIS 14 HN HIS 14 -34.821 -4.309 -3.242 108 HA HIS 14 HA HIS 14 -36.089 -5.949 -5.224 109 1HB HIS 14 HB2 HIS 14 -37.830 -6.221 -3.727 110 2HB HIS 14 HB1 HIS 14 -36.478 -5.896 -2.657 111 HD1 HIS 14 HD1 HIS 14 -39.735 -4.551 -3.760 112 HD2 HIS 14 HD2 HIS 14 -36.606 -3.381 -1.309 113 HE1 HIS 14 HE1 HIS 14 -40.631 -2.616 -2.438 114 H ASN 15 HN ASN 15 -35.834 -2.566 -4.773 115 HA ASN 15 HA ASN 15 -37.105 -1.945 -7.234 116 1HB ASN 15 HB2 ASN 15 -39.090 -2.276 -5.583 117 2HB ASN 15 HB1 ASN 15 -38.549 -0.770 -4.844 118 1HD2 ASN 15 HD22 ASN 15 -40.062 -0.726 -8.671 119 2HD2 ASN 15 HD21 ASN 15 -39.374 -2.178 -8.010 120 H LYS 16 HN LYS 16 -36.680 0.177 -7.869 121 HA LYS 16 HA LYS 16 -35.810 2.299 -7.855 122 1HB LYS 16 HB2 LYS 16 -34.908 1.840 -4.996 123 2HB LYS 16 HB1 LYS 16 -34.816 3.345 -5.894 124 1HG LYS 16 HG2 LYS 16 -37.107 3.694 -5.861 125 2HG LYS 16 HG1 LYS 16 -37.475 1.993 -5.604 126 1HD LYS 16 HD2 LYS 16 -37.902 3.364 -3.595 127 2HD LYS 16 HD1 LYS 16 -36.699 2.111 -3.311 128 1HE LYS 16 HE2 LYS 16 -35.553 4.667 -4.220 129 2HE LYS 16 HE1 LYS 16 -36.424 4.796 -2.702 130 1HZ LYS 16 HZ1 LYS 16 -34.968 2.580 -2.290 131 2HZ LYS 16 HZ3 LYS 16 -33.923 3.473 -3.289 132 3HZ LYS 16 HZ2 LYS 16 -34.487 4.150 -1.831 133 H LYS 17 HN LYS 17 -33.769 3.268 -8.198 134 HA LYS 17 HA LYS 17 -31.721 1.332 -8.971 135 1HB LYS 17 HB2 LYS 17 -31.856 4.319 -9.432 136 2HB LYS 17 HB1 LYS 17 -30.758 3.185 -10.211 137 1HG LYS 17 HG2 LYS 17 -32.604 2.077 -11.326 138 2HG LYS 17 HG1 LYS 17 -33.769 3.091 -10.478 139 1HD LYS 17 HD2 LYS 17 -33.619 4.241 -12.470 140 2HD LYS 17 HD1 LYS 17 -32.357 5.052 -11.543 141 1HE LYS 17 HE2 LYS 17 -31.319 4.601 -13.590 142 2HE LYS 17 HE1 LYS 17 -30.756 3.298 -12.549 143 1HZ LYS 17 HZ1 LYS 17 -33.020 3.097 -14.456 144 2HZ LYS 17 HZ3 LYS 17 -31.443 2.515 -14.737 145 3HZ LYS 17 HZ2 LYS 17 -32.388 1.835 -13.501 146 H ALA 18 HN ALA 18 -29.451 2.680 -8.917 147 HA ALA 18 HA ALA 18 -28.854 3.126 -6.041 148 1HB ALA 18 HB1 ALA 18 -27.762 1.219 -7.758 149 2HB ALA 18 HB3 ALA 18 -26.547 2.500 -7.733 150 3HB ALA 18 HB2 ALA 18 -27.075 1.754 -6.225 151 H SER 19 HN SER 19 -27.870 4.981 -5.467 152 HA SER 19 HA SER 19 -27.041 6.887 -7.596 153 1HB SER 19 HB2 SER 19 -28.301 7.551 -4.926 154 2HB SER 19 HB1 SER 19 -27.849 8.696 -6.187 155 HG SER 19 HG SER 19 -29.362 7.552 -7.584 156 H SER 20 HN SER 20 -26.305 5.464 -4.468 157 HA SER 20 HA SER 20 -24.085 7.210 -3.879 158 1HB SER 20 HB2 SER 20 -24.544 4.499 -2.639 159 2HB SER 20 HB1 SER 20 -23.788 5.927 -1.931 160 HG SER 20 HG SER 20 -26.141 6.793 -2.506 161 H ARG 21 HN ARG 21 -24.505 4.376 -5.786 162 HA ARG 21 HA ARG 21 -21.572 4.057 -6.101 163 1HB ARG 21 HB2 ARG 21 -23.716 1.923 -6.256 164 2HB ARG 21 HB1 ARG 21 -22.002 1.678 -6.587 165 1HG ARG 21 HG2 ARG 21 -21.569 2.538 -4.222 166 2HG ARG 21 HG1 ARG 21 -23.300 2.382 -3.953 167 1HD ARG 21 HD2 ARG 21 -21.996 -0.005 -5.114 168 2HD ARG 21 HD1 ARG 21 -21.485 0.401 -3.479 169 HE ARG 21 HE ARG 21 -24.382 0.229 -4.056 170 1HH1 ARG 21 HH21 ARG 21 -22.405 0.127 -1.443 171 2HH1 ARG 21 HH22 ARG 21 -22.872 -1.453 -0.848 172 1HH2 ARG 21 HH11 ARG 21 -24.608 -2.309 -3.811 173 2HH2 ARG 21 HH12 ARG 21 -24.124 -2.862 -2.224 174 H SER 22 HN SER 22 -21.950 5.769 -7.711 175 HA SER 22 HA SER 22 -22.943 4.688 -10.285 176 1HB SER 22 HB2 SER 22 -22.863 7.592 -9.445 177 2HB SER 22 HB1 SER 22 -23.545 6.936 -10.931 178 HG SER 22 HG SER 22 -24.970 5.670 -9.473 179 H TRP 23 HN TRP 23 -21.130 3.947 -11.174 180 HA TRP 23 HA TRP 23 -19.184 3.875 -12.298 181 1HB TRP 23 HB2 TRP 23 -19.606 6.861 -12.396 182 2HB TRP 23 HB1 TRP 23 -18.258 6.064 -13.195 183 HD1 TRP 23 HD1 TRP 23 -21.491 7.339 -14.132 184 HE1 TRP 23 HE1 TRP 23 -22.484 6.053 -16.106 185 HE3 TRP 23 HE3 TRP 23 -18.477 3.214 -14.101 186 HZ2 TRP 23 HZ2 TRP 23 -22.066 3.618 -17.492 187 HZ3 TRP 23 HZ3 TRP 23 -18.801 1.457 -15.762 188 HH2 TRP 23 HH2 TRP 23 -20.585 1.647 -17.455 189 H HIS 24 HN HIS 24 -18.146 2.943 -10.611 190 HA HIS 24 HA HIS 24 -16.157 4.617 -9.186 191 1HB HIS 24 HB2 HIS 24 -17.930 3.629 -7.703 192 2HB HIS 24 HB1 HIS 24 -17.445 2.027 -8.247 193 HD1 HIS 24 HD1 HIS 24 -16.062 4.970 -6.327 194 HD2 HIS 24 HD2 HIS 24 -15.355 0.929 -6.862 195 HE1 HIS 24 HE1 HIS 24 -14.324 4.383 -4.611 196 H ASN 25 HN ASN 25 -14.157 4.199 -9.984 197 HA ASN 25 HA ASN 25 -13.631 1.975 -11.711 198 1HB ASN 25 HB2 ASN 25 -11.365 2.796 -11.866 199 2HB ASN 25 HB1 ASN 25 -12.467 4.164 -11.945 200 1HD2 ASN 25 HD22 ASN 25 -9.519 4.317 -9.352 201 2HD2 ASN 25 HD21 ASN 25 -9.590 3.369 -10.814 202 H VAL 26 HN VAL 26 -13.442 -0.034 -11.055 203 HA VAL 26 HA VAL 26 -12.004 -0.649 -8.542 204 HB VAL 26 HB VAL 26 -14.601 -0.705 -8.507 205 1HG1 VAL 26 HG11 VAL 26 -14.648 -2.075 -10.680 206 2HG1 VAL 26 HG13 VAL 26 -14.247 -3.455 -9.658 207 3HG1 VAL 26 HG12 VAL 26 -15.734 -2.551 -9.375 208 1HG2 VAL 26 HG22 VAL 26 -12.919 -1.723 -6.845 209 2HG2 VAL 26 HG21 VAL 26 -14.594 -2.271 -6.805 210 3HG2 VAL 26 HG23 VAL 26 -13.362 -3.266 -7.581 211 H TYR 27 HN TYR 27 -11.388 -2.986 -8.439 212 HA TYR 27 HA TYR 27 -10.397 -3.899 -11.073 213 1HB TYR 27 HB2 TYR 27 -8.861 -3.382 -9.017 214 2HB TYR 27 HB1 TYR 27 -9.411 -4.944 -8.434 215 HD1 TYR 27 HD1 TYR 27 -7.523 -3.205 -11.071 216 HD2 TYR 27 HD2 TYR 27 -8.696 -6.986 -9.479 217 HE1 TYR 27 HE1 TYR 27 -5.852 -4.326 -12.495 218 HE2 TYR 27 HE2 TYR 27 -7.027 -8.102 -10.896 219 HH TYR 27 HH TYR 27 -5.276 -6.393 -13.389 220 H CYS 28 HN CYS 28 -11.119 -5.789 -11.885 221 HA CYS 28 HA CYS 28 -12.863 -7.477 -10.176 222 1HB CYS 28 HB2 CYS 28 -13.018 -7.100 -13.171 223 2HB CYS 28 HB1 CYS 28 -14.135 -8.013 -12.158 224 HG CYS 28 HG CYS 28 -13.969 -5.096 -11.331 225 H VAL 29 HN VAL 29 -12.524 -9.606 -10.098 226 HA VAL 29 HA VAL 29 -10.531 -10.882 -11.871 227 HB VAL 29 HB VAL 29 -10.678 -11.123 -8.849 228 1HG1 VAL 29 HG12 VAL 29 -9.322 -12.768 -10.919 229 2HG1 VAL 29 HG11 VAL 29 -8.423 -12.422 -9.442 230 3HG1 VAL 29 HG13 VAL 29 -9.985 -13.237 -9.354 231 1HG2 VAL 29 HG23 VAL 29 -8.991 -9.531 -10.658 232 2HG2 VAL 29 HG22 VAL 29 -9.391 -9.284 -8.959 233 3HG2 VAL 29 HG21 VAL 29 -8.121 -10.421 -9.410 234 H ILE 30 HN ILE 30 -11.301 -12.779 -12.680 235 HA ILE 30 HA ILE 30 -13.766 -13.925 -11.485 236 HB ILE 30 HB ILE 30 -12.638 -14.299 -14.268 237 1HG1 ILE 30 HG12 ILE 30 -15.013 -12.679 -13.309 238 2HG1 ILE 30 HG11 ILE 30 -13.496 -12.020 -13.913 239 1HG2 ILE 30 HG22 ILE 30 -14.972 -15.472 -12.812 240 2HG2 ILE 30 HG21 ILE 30 -15.123 -15.153 -14.541 241 3HG2 ILE 30 HG23 ILE 30 -13.856 -16.231 -13.950 242 1HD1 ILE 30 HD11 ILE 30 -13.935 -13.186 -16.089 243 2HD1 ILE 30 HD13 ILE 30 -15.517 -13.650 -15.462 244 3HD1 ILE 30 HD12 ILE 30 -15.126 -11.947 -15.691 245 H ASN 31 HN ASN 31 -13.675 -15.888 -10.576 246 HA ASN 31 HA ASN 31 -11.280 -17.571 -11.041 247 1HB ASN 31 HB2 ASN 31 -11.579 -16.371 -8.721 248 2HB ASN 31 HB1 ASN 31 -12.772 -17.638 -8.424 249 1HD2 ASN 31 HD22 ASN 31 -10.360 -20.087 -7.783 250 2HD2 ASN 31 HD21 ASN 31 -12.018 -19.583 -7.745 251 H ASN 32 HN ASN 32 -13.584 -17.711 -12.595 252 HA ASN 32 HA ASN 32 -14.876 -19.308 -13.583 253 1HB ASN 32 HB2 ASN 32 -12.951 -20.804 -12.664 254 2HB ASN 32 HB1 ASN 32 -14.139 -21.324 -11.474 255 1HD2 ASN 32 HD22 ASN 32 -14.760 -22.223 -15.436 256 2HD2 ASN 32 HD21 ASN 32 -13.802 -20.842 -14.987 257 H GLN 33 HN GLN 33 -16.927 -18.635 -13.346 258 HA GLN 33 HA GLN 33 -19.098 -18.568 -12.647 259 1HB GLN 33 HB2 GLN 33 -18.397 -21.109 -12.173 260 2HB GLN 33 HB1 GLN 33 -18.748 -20.617 -10.517 261 1HG GLN 33 HG2 GLN 33 -20.991 -19.927 -11.153 262 2HG GLN 33 HG1 GLN 33 -20.646 -20.239 -12.855 263 1HE2 GLN 33 HE22 GLN 33 -21.712 -23.266 -10.380 264 2HE2 GLN 33 HE21 GLN 33 -21.578 -21.623 -9.850 265 H GLU 34 HN GLU 34 -16.604 -17.759 -10.630 266 HA GLU 34 HA GLU 34 -18.333 -16.178 -8.891 267 1HB GLU 34 HB2 GLU 34 -17.304 -18.545 -7.926 268 2HB GLU 34 HB1 GLU 34 -16.064 -17.392 -7.445 269 1HG GLU 34 HG2 GLU 34 -17.663 -16.061 -6.243 270 2HG GLU 34 HG1 GLU 34 -19.011 -16.994 -6.895 271 H MET 35 HN MET 35 -17.534 -14.158 -8.722 272 HA MET 35 HA MET 35 -14.712 -13.707 -9.501 273 1HB MET 35 HB2 MET 35 -15.444 -11.506 -10.393 274 2HB MET 35 HB1 MET 35 -16.124 -12.876 -11.261 275 1HG MET 35 HG2 MET 35 -18.246 -12.611 -10.076 276 2HG MET 35 HG1 MET 35 -17.568 -11.286 -9.133 277 1HE MET 35 HE3 MET 35 -19.580 -9.892 -9.701 278 2HE MET 35 HE2 MET 35 -19.954 -9.198 -11.279 279 3HE MET 35 HE1 MET 35 -20.372 -10.878 -10.939 280 H GLY 36 HN GLY 36 -13.672 -11.892 -8.555 281 1HA GLY 36 HA2 GLY 36 -14.774 -11.075 -5.930 282 2HA GLY 36 HA1 GLY 36 -13.089 -11.526 -6.151 283 H PHE 37 HN PHE 37 -14.697 -8.942 -5.491 284 HA PHE 37 HA PHE 37 -13.548 -7.131 -7.518 285 1HB PHE 37 HB2 PHE 37 -15.570 -6.699 -5.316 286 2HB PHE 37 HB1 PHE 37 -14.904 -5.398 -6.296 287 HD1 PHE 37 HD1 PHE 37 -15.090 -5.732 -8.893 288 HD2 PHE 37 HD2 PHE 37 -17.540 -7.743 -6.026 289 HE1 PHE 37 HE1 PHE 37 -16.780 -6.162 -10.632 290 HE2 PHE 37 HE2 PHE 37 -19.234 -8.158 -7.774 291 HZ PHE 37 HZ PHE 37 -18.848 -7.370 -10.072 292 H TYR 38 HN TYR 38 -11.806 -5.947 -7.082 293 HA TYR 38 HA TYR 38 -10.868 -5.648 -4.282 294 1HB TYR 38 HB2 TYR 38 -9.179 -6.351 -6.704 295 2HB TYR 38 HB1 TYR 38 -8.552 -5.986 -5.103 296 HD1 TYR 38 HD2 TYR 38 -10.451 -8.423 -7.089 297 HD2 TYR 38 HD1 TYR 38 -8.589 -7.599 -3.343 298 HE1 TYR 38 HE2 TYR 38 -10.678 -10.792 -6.461 299 HE2 TYR 38 HE1 TYR 38 -8.816 -9.966 -2.709 300 HH TYR 38 HH TYR 38 -9.016 -12.267 -4.164 301 H LYS 39 HN LYS 39 -8.838 -4.045 -4.420 302 HA LYS 39 HA LYS 39 -9.892 -1.539 -5.448 303 1HB LYS 39 HB2 LYS 39 -8.660 -1.975 -3.187 304 2HB LYS 39 HB1 LYS 39 -7.194 -1.837 -4.151 305 1HG LYS 39 HG2 LYS 39 -7.860 0.394 -4.888 306 2HG LYS 39 HG1 LYS 39 -9.379 0.253 -4.007 307 1HD LYS 39 HD2 LYS 39 -8.343 0.420 -1.918 308 2HD LYS 39 HD1 LYS 39 -6.774 -0.077 -2.546 309 1HE LYS 39 HE2 LYS 39 -8.133 2.565 -3.130 310 2HE LYS 39 HE1 LYS 39 -6.820 2.326 -1.978 311 1HZ LYS 39 HZ1 LYS 39 -5.864 1.231 -4.275 312 2HZ LYS 39 HZ3 LYS 39 -6.728 2.587 -4.837 313 3HZ LYS 39 HZ2 LYS 39 -5.489 2.785 -3.680 314 H ASP 40 HN ASP 40 -7.013 -3.555 -5.990 315 HA ASP 40 HA ASP 40 -6.787 -2.651 -8.737 316 1HB ASP 40 HB2 ASP 40 -4.597 -1.735 -8.611 317 2HB ASP 40 HB1 ASP 40 -5.522 -0.943 -7.343 318 H ALA 41 HN ALA 41 -4.267 -3.622 -9.311 319 HA ALA 41 HA ALA 41 -4.702 -6.440 -9.421 320 1HB ALA 41 HB3 ALA 41 -3.473 -5.069 -11.142 321 2HB ALA 41 HB2 ALA 41 -2.120 -4.972 -10.010 322 3HB ALA 41 HB1 ALA 41 -2.636 -6.539 -10.638 323 H LYS 42 HN LYS 42 -2.619 -4.364 -7.424 324 HA LYS 42 HA LYS 42 -1.136 -6.457 -6.176 325 1HB LYS 42 HB2 LYS 42 -1.763 -3.686 -5.144 326 2HB LYS 42 HB1 LYS 42 -0.513 -4.758 -4.529 327 1HG LYS 42 HG2 LYS 42 -0.149 -4.522 -7.353 328 2HG LYS 42 HG1 LYS 42 -0.360 -2.902 -6.692 329 1HD LYS 42 HD2 LYS 42 1.450 -3.209 -5.145 330 2HD LYS 42 HD1 LYS 42 1.564 -4.923 -5.538 331 1HE LYS 42 HE2 LYS 42 3.324 -3.434 -6.590 332 2HE LYS 42 HE1 LYS 42 2.437 -4.470 -7.705 333 1HZ LYS 42 HZ1 LYS 42 1.585 -1.688 -7.177 334 2HZ LYS 42 HZ3 LYS 42 2.780 -2.052 -8.342 335 3HZ LYS 42 HZ2 LYS 42 1.208 -2.689 -8.512 336 H SER 43 HN SER 43 -4.110 -4.718 -5.277 337 HA SER 43 HA SER 43 -4.544 -5.961 -2.761 338 1HB SER 43 HB2 SER 43 -6.597 -4.865 -4.689 339 2HB SER 43 HB1 SER 43 -6.842 -5.179 -2.971 340 HG SER 43 HG SER 43 -5.122 -3.249 -4.179 341 H ALA 44 HN ALA 44 -5.397 -6.877 -6.058 342 HA ALA 44 HA ALA 44 -7.056 -9.119 -5.379 343 1HB ALA 44 HB1 ALA 44 -7.188 -7.905 -7.549 344 2HB ALA 44 HB3 ALA 44 -5.602 -8.553 -7.973 345 3HB ALA 44 HB2 ALA 44 -6.969 -9.644 -7.740 346 H ALA 45 HN ALA 45 -3.659 -8.747 -6.358 347 HA ALA 45 HA ALA 45 -3.018 -11.528 -6.354 348 1HB ALA 45 HB3 ALA 45 -1.714 -9.827 -7.588 349 2HB ALA 45 HB2 ALA 45 -1.182 -9.138 -6.054 350 3HB ALA 45 HB1 ALA 45 -0.699 -10.775 -6.502 351 H SER 46 HN SER 46 -2.747 -8.963 -3.939 352 HA SER 46 HA SER 46 -1.354 -10.514 -1.972 353 1HB SER 46 HB2 SER 46 -1.402 -7.987 -2.161 354 2HB SER 46 HB1 SER 46 -3.030 -8.041 -1.490 355 HG SER 46 HG SER 46 -0.575 -8.400 -0.260 356 H GLY 47 HN GLY 47 -4.751 -9.892 -2.661 357 1HA GLY 47 HA2 GLY 47 -6.559 -11.263 -2.062 358 2HA GLY 47 HA1 GLY 47 -5.554 -12.052 -0.847 359 H ILE 48 HN ILE 48 -6.212 -8.603 -1.402 360 HA ILE 48 HA ILE 48 -6.984 -8.271 1.415 361 HB ILE 48 HB ILE 48 -6.257 -6.322 -0.780 362 1HG1 ILE 48 HG12 ILE 48 -4.910 -6.774 1.887 363 2HG1 ILE 48 HG11 ILE 48 -4.460 -7.657 0.433 364 1HG2 ILE 48 HG22 ILE 48 -7.315 -5.766 1.989 365 2HG2 ILE 48 HG21 ILE 48 -6.359 -4.592 1.087 366 3HG2 ILE 48 HG23 ILE 48 -7.906 -5.144 0.445 367 1HD1 ILE 48 HD12 ILE 48 -4.555 -4.660 0.369 368 2HD1 ILE 48 HD11 ILE 48 -3.162 -5.483 1.076 369 3HD1 ILE 48 HD13 ILE 48 -3.593 -5.770 -0.611 370 HA PRO 49 HA PRO 49 -11.251 -8.333 -0.049 371 1HB PRO 49 HB2 PRO 49 -12.444 -7.975 2.371 372 2HB PRO 49 HB1 PRO 49 -11.795 -9.524 1.816 373 1HG PRO 49 HG2 PRO 49 -10.614 -7.544 3.704 374 2HG PRO 49 HG1 PRO 49 -10.576 -9.314 3.761 375 1HD PRO 49 HD2 PRO 49 -8.481 -7.767 2.903 376 2HD PRO 49 HD1 PRO 49 -8.751 -9.441 2.381 377 H TYR 50 HN TYR 50 -12.505 -6.731 -0.822 378 HA TYR 50 HA TYR 50 -11.860 -3.970 -0.178 379 1HB TYR 50 HB2 TYR 50 -12.255 -4.937 -2.531 380 2HB TYR 50 HB1 TYR 50 -13.967 -4.838 -2.146 381 HD1 TYR 50 HD1 TYR 50 -10.937 -2.654 -1.804 382 HD2 TYR 50 HD2 TYR 50 -15.042 -2.964 -2.928 383 HE1 TYR 50 HE1 TYR 50 -10.942 -0.275 -2.445 384 HE2 TYR 50 HE2 TYR 50 -15.045 -0.595 -3.573 385 HH TYR 50 HH TYR 50 -12.454 1.552 -2.801 386 H HIS 51 HN HIS 51 -13.459 -5.788 1.687 387 HA HIS 51 HA HIS 51 -15.050 -5.529 3.293 388 1HB HIS 51 HB2 HIS 51 -15.114 -2.672 2.284 389 2HB HIS 51 HB1 HIS 51 -15.940 -3.240 3.727 390 HD1 HIS 51 HD1 HIS 51 -14.626 -3.286 5.830 391 HD2 HIS 51 HD2 HIS 51 -12.190 -2.846 2.503 392 HE1 HIS 51 HE1 HIS 51 -12.334 -2.839 6.751 393 H SER 52 HN SER 52 -16.516 -3.265 1.002 394 HA SER 52 HA SER 52 -19.134 -4.258 1.306 395 1HB SER 52 HB2 SER 52 -18.235 -2.615 -1.053 396 2HB SER 52 HB1 SER 52 -19.778 -2.583 -0.197 397 HG SER 52 HG SER 52 -17.458 -1.216 0.317 398 H GLU 53 HN GLU 53 -19.146 -6.443 0.870 399 HA GLU 53 HA GLU 53 -19.360 -8.385 -0.328 400 1HB GLU 53 HB2 GLU 53 -20.478 -6.344 -2.245 401 2HB GLU 53 HB1 GLU 53 -20.516 -8.075 -2.568 402 1HG GLU 53 HG2 GLU 53 -21.667 -8.351 -0.319 403 2HG GLU 53 HG1 GLU 53 -21.819 -6.596 -0.273 404 H VAL 54 HN VAL 54 -17.112 -8.833 -0.435 405 HA VAL 54 HA VAL 54 -15.574 -8.028 -2.748 406 HB VAL 54 HB VAL 54 -14.833 -10.182 -0.769 407 1HG1 VAL 54 HG11 VAL 54 -13.512 -9.802 -2.928 408 2HG1 VAL 54 HG13 VAL 54 -13.012 -8.276 -2.199 409 3HG1 VAL 54 HG12 VAL 54 -12.609 -9.800 -1.410 410 1HG2 VAL 54 HG23 VAL 54 -14.648 -7.190 -0.514 411 2HG2 VAL 54 HG22 VAL 54 -15.367 -8.336 0.613 412 3HG2 VAL 54 HG21 VAL 54 -13.618 -8.286 0.408 413 HA PRO 55 HA PRO 55 -16.393 -12.451 -4.249 414 1HB PRO 55 HB2 PRO 55 -17.778 -14.229 -2.735 415 2HB PRO 55 HB1 PRO 55 -16.053 -13.908 -2.539 416 1HG PRO 55 HG2 PRO 55 -18.270 -13.216 -0.774 417 2HG PRO 55 HG1 PRO 55 -16.533 -13.235 -0.438 418 1HD PRO 55 HD2 PRO 55 -18.243 -10.974 -1.097 419 2HD PRO 55 HD1 PRO 55 -16.570 -10.980 -0.520 420 H VAL 56 HN VAL 56 -17.795 -12.545 -5.914 421 HA VAL 56 HA VAL 56 -20.706 -12.434 -5.406 422 HB VAL 56 HB VAL 56 -19.231 -10.831 -7.515 423 1HG1 VAL 56 HG12 VAL 56 -22.179 -11.167 -6.945 424 2HG1 VAL 56 HG11 VAL 56 -21.519 -9.873 -7.947 425 3HG1 VAL 56 HG13 VAL 56 -21.317 -11.558 -8.437 426 1HG2 VAL 56 HG21 VAL 56 -20.494 -10.107 -4.890 427 2HG2 VAL 56 HG23 VAL 56 -18.956 -9.579 -5.575 428 3HG2 VAL 56 HG22 VAL 56 -20.473 -8.936 -6.205 429 H SER 57 HN SER 57 -21.844 -13.864 -6.604 430 HA SER 57 HA SER 57 -20.438 -15.891 -8.062 431 1HB SER 57 HB2 SER 57 -23.406 -15.578 -7.901 432 2HB SER 57 HB1 SER 57 -22.464 -17.045 -8.018 433 HG SER 57 HG SER 57 -21.604 -15.997 -5.825 434 H LEU 58 HN LEU 58 -20.778 -16.531 -10.176 435 HA LEU 58 HA LEU 58 -21.946 -14.589 -12.078 436 1HB LEU 58 HB2 LEU 58 -19.324 -14.627 -11.789 437 2HB LEU 58 HB1 LEU 58 -19.427 -16.112 -12.727 438 HG LEU 58 HG LEU 58 -20.737 -14.795 -14.451 439 1HD1 LEU 58 HD12 LEU 58 -20.545 -12.780 -12.444 440 2HD1 LEU 58 HD11 LEU 58 -19.665 -12.227 -13.870 441 3HD1 LEU 58 HD13 LEU 58 -21.357 -12.705 -14.005 442 1HD2 LEU 58 HD23 LEU 58 -17.850 -14.376 -13.798 443 2HD2 LEU 58 HD22 LEU 58 -18.588 -15.268 -15.131 444 3HD2 LEU 58 HD21 LEU 58 -18.564 -13.506 -15.156 445 H LYS 59 HN LYS 59 -23.439 -16.599 -11.209 446 HA LYS 59 HA LYS 59 -23.135 -18.968 -12.921 447 1HB LYS 59 HB2 LYS 59 -23.712 -19.136 -10.495 448 2HB LYS 59 HB1 LYS 59 -25.231 -18.309 -10.832 449 1HG LYS 59 HG2 LYS 59 -25.893 -20.137 -12.340 450 2HG LYS 59 HG1 LYS 59 -24.348 -20.937 -12.062 451 1HD LYS 59 HD2 LYS 59 -25.795 -22.053 -10.597 452 2HD LYS 59 HD1 LYS 59 -25.004 -20.869 -9.562 453 1HE LYS 59 HE2 LYS 59 -27.195 -20.524 -8.940 454 2HE LYS 59 HE1 LYS 59 -27.072 -19.361 -10.254 455 1HZ LYS 59 HZ1 LYS 59 -28.113 -22.118 -10.563 456 2HZ LYS 59 HZ3 LYS 59 -29.081 -20.732 -10.347 457 3HZ LYS 59 HZ2 LYS 59 -28.112 -20.878 -11.741 458 H GLU 60 HN GLU 60 -23.735 -18.508 -14.980 459 HA GLU 60 HA GLU 60 -25.005 -17.960 -16.804 460 1HB GLU 60 HB2 GLU 60 -27.317 -18.382 -14.894 461 2HB GLU 60 HB1 GLU 60 -27.417 -18.345 -16.654 462 1HG GLU 60 HG2 GLU 60 -25.749 -20.278 -16.645 463 2HG GLU 60 HG1 GLU 60 -26.054 -20.406 -14.912 464 H ALA 61 HN ALA 61 -23.932 -15.756 -15.983 465 HA ALA 61 HA ALA 61 -25.881 -13.709 -15.264 466 1HB ALA 61 HB3 ALA 61 -23.522 -13.678 -14.439 467 2HB ALA 61 HB2 ALA 61 -22.986 -13.377 -16.093 468 3HB ALA 61 HB1 ALA 61 -24.001 -12.196 -15.262 469 H ILE 62 HN ILE 62 -26.881 -12.340 -16.633 470 HA ILE 62 HA ILE 62 -26.604 -12.767 -19.507 471 HB ILE 62 HB ILE 62 -28.493 -10.896 -18.060 472 1HG1 ILE 62 HG12 ILE 62 -28.932 -13.773 -18.914 473 2HG1 ILE 62 HG11 ILE 62 -28.812 -13.192 -17.255 474 1HG2 ILE 62 HG21 ILE 62 -27.915 -11.257 -20.804 475 2HG2 ILE 62 HG23 ILE 62 -29.483 -12.019 -20.521 476 3HG2 ILE 62 HG22 ILE 62 -29.234 -10.326 -20.088 477 1HD1 ILE 62 HD12 ILE 62 -30.810 -11.743 -17.678 478 2HD1 ILE 62 HD11 ILE 62 -30.968 -12.506 -19.261 479 3HD1 ILE 62 HD13 ILE 62 -31.145 -13.472 -17.796 480 H CYS 63 HN CYS 63 -25.515 -11.449 -20.829 481 HA CYS 63 HA CYS 63 -24.529 -8.861 -19.765 482 1HB CYS 63 HB2 CYS 63 -22.943 -10.952 -20.204 483 2HB CYS 63 HB1 CYS 63 -22.991 -10.342 -21.848 484 HG CYS 63 HG CYS 63 -21.843 -8.192 -21.088 485 H GLU 64 HN GLU 64 -25.124 -7.133 -20.860 486 HA GLU 64 HA GLU 64 -26.040 -7.376 -23.682 487 1HB GLU 64 HB2 GLU 64 -26.864 -5.310 -21.622 488 2HB GLU 64 HB1 GLU 64 -27.473 -5.449 -23.265 489 1HG GLU 64 HG2 GLU 64 -28.408 -7.680 -22.707 490 2HG GLU 64 HG1 GLU 64 -27.838 -7.483 -21.048 491 H VAL 65 HN VAL 65 -25.339 -5.764 -25.123 492 HA VAL 65 HA VAL 65 -22.858 -4.386 -24.319 493 HB VAL 65 HB VAL 65 -24.018 -4.785 -27.089 494 1HG1 VAL 65 HG13 VAL 65 -21.438 -3.649 -26.044 495 2HG1 VAL 65 HG12 VAL 65 -21.498 -4.416 -27.632 496 3HG1 VAL 65 HG11 VAL 65 -22.518 -3.017 -27.290 497 1HG2 VAL 65 HG23 VAL 65 -22.656 -6.648 -25.343 498 2HG2 VAL 65 HG22 VAL 65 -23.369 -6.918 -26.932 499 3HG2 VAL 65 HG21 VAL 65 -21.707 -6.344 -26.797 500 H ALA 66 HN ALA 66 -22.661 -2.244 -24.246 501 HA ALA 66 HA ALA 66 -24.845 -0.489 -25.220 502 1HB ALA 66 HB2 ALA 66 -24.889 -0.818 -22.707 503 2HB ALA 66 HB1 ALA 66 -23.304 -0.051 -22.647 504 3HB ALA 66 HB3 ALA 66 -24.700 0.851 -23.238 505 H LEU 67 HN LEU 67 -23.422 -0.393 -27.083 506 HA LEU 67 HA LEU 67 -20.753 0.649 -26.907 507 1HB LEU 67 HB2 LEU 67 -22.276 -0.654 -28.841 508 2HB LEU 67 HB1 LEU 67 -22.010 0.945 -29.519 509 HG LEU 67 HG LEU 67 -19.523 0.438 -28.653 510 1HD1 LEU 67 HD11 LEU 67 -20.689 -2.271 -29.331 511 2HD1 LEU 67 HD13 LEU 67 -18.968 -1.922 -29.158 512 3HD1 LEU 67 HD12 LEU 67 -20.043 -1.770 -27.765 513 1HD2 LEU 67 HD22 LEU 67 -20.146 1.080 -30.928 514 2HD2 LEU 67 HD21 LEU 67 -18.981 -0.247 -30.946 515 3HD2 LEU 67 HD23 LEU 67 -20.688 -0.568 -31.251 516 H ASP 68 HN ASP 68 -23.510 2.276 -26.255 517 HA ASP 68 HA ASP 68 -22.282 4.847 -26.713 518 1HB ASP 68 HB2 ASP 68 -23.956 5.805 -28.177 519 2HB ASP 68 HB1 ASP 68 -23.247 4.404 -28.961 520 H TYR 69 HN TYR 69 -22.898 3.712 -24.353 521 HA TYR 69 HA TYR 69 -25.496 4.313 -23.340 522 1HB TYR 69 HB2 TYR 69 -23.935 2.654 -22.347 523 2HB TYR 69 HB1 TYR 69 -22.920 3.982 -21.796 524 HD1 TYR 69 HD1 TYR 69 -26.595 3.279 -21.746 525 HD2 TYR 69 HD2 TYR 69 -23.106 4.314 -19.514 526 HE1 TYR 69 HE1 TYR 69 -27.953 3.462 -19.706 527 HE2 TYR 69 HE2 TYR 69 -24.472 4.489 -17.466 528 HH TYR 69 HH TYR 69 -27.925 3.670 -17.472 529 H LYS 70 HN LYS 70 -23.272 6.376 -24.396 530 HA LYS 70 HA LYS 70 -24.343 8.667 -22.928 531 1HB LYS 70 HB2 LYS 70 -21.372 8.097 -23.244 532 2HB LYS 70 HB1 LYS 70 -22.044 9.645 -22.739 533 1HG LYS 70 HG2 LYS 70 -23.197 8.331 -20.861 534 2HG LYS 70 HG1 LYS 70 -22.095 7.021 -21.275 535 1HD LYS 70 HD2 LYS 70 -20.495 7.975 -20.026 536 2HD LYS 70 HD1 LYS 70 -20.530 9.389 -21.077 537 1HE LYS 70 HE2 LYS 70 -20.928 10.190 -18.875 538 2HE LYS 70 HE1 LYS 70 -22.486 10.228 -19.692 539 1HZ LYS 70 HZ1 LYS 70 -21.578 8.023 -17.922 540 2HZ LYS 70 HZ3 LYS 70 -22.574 9.308 -17.414 541 3HZ LYS 70 HZ2 LYS 70 -23.131 8.224 -18.599 542 H LYS 71 HN LYS 71 -21.575 8.338 -25.059 543 HA LYS 71 HA LYS 71 -23.069 9.229 -27.414 544 1HB LYS 71 HB2 LYS 71 -20.606 10.622 -26.326 545 2HB LYS 71 HB1 LYS 71 -21.224 10.857 -27.957 546 1HG LYS 71 HG2 LYS 71 -23.464 11.272 -26.404 547 2HG LYS 71 HG1 LYS 71 -22.184 11.941 -25.405 548 1HD LYS 71 HD2 LYS 71 -22.720 13.793 -26.664 549 2HD LYS 71 HD1 LYS 71 -21.452 13.097 -27.663 550 1HE LYS 71 HE2 LYS 71 -23.361 13.755 -29.048 551 2HE LYS 71 HE1 LYS 71 -23.155 12.007 -29.078 552 1HZ LYS 71 HZ2 LYS 71 -24.940 13.025 -27.019 553 2HZ LYS 71 HZ1 LYS 71 -25.477 13.219 -28.624 554 3HZ LYS 71 HZ3 LYS 71 -25.097 11.663 -28.039 555 H LYS 72 HN LYS 72 -19.959 8.399 -26.074 556 HA LYS 72 HA LYS 72 -19.527 6.293 -28.096 557 1HB LYS 72 HB2 LYS 72 -17.535 8.415 -27.253 558 2HB LYS 72 HB1 LYS 72 -17.099 6.962 -28.146 559 1HG LYS 72 HG2 LYS 72 -19.249 8.109 -29.573 560 2HG LYS 72 HG1 LYS 72 -18.202 9.454 -29.129 561 1HD LYS 72 HD2 LYS 72 -17.431 8.676 -31.234 562 2HD LYS 72 HD1 LYS 72 -16.267 8.108 -30.041 563 1HE LYS 72 HE2 LYS 72 -17.405 5.893 -30.027 564 2HE LYS 72 HE1 LYS 72 -18.493 6.469 -31.287 565 1HZ LYS 72 HZ2 LYS 72 -15.818 6.941 -32.046 566 2HZ LYS 72 HZ1 LYS 72 -16.007 5.306 -31.601 567 3HZ LYS 72 HZ3 LYS 72 -16.994 5.972 -32.816 568 H LYS 73 HN LYS 73 -17.156 5.379 -27.151 569 HA LYS 73 HA LYS 73 -16.031 4.278 -25.504 570 1HB LYS 73 HB2 LYS 73 -18.104 5.157 -23.482 571 2HB LYS 73 HB1 LYS 73 -16.511 4.490 -23.170 572 1HG LYS 73 HG2 LYS 73 -17.178 7.214 -24.282 573 2HG LYS 73 HG1 LYS 73 -16.324 6.825 -22.795 574 1HD LYS 73 HD2 LYS 73 -14.638 5.639 -24.436 575 2HD LYS 73 HD1 LYS 73 -15.347 6.729 -25.624 576 1HE LYS 73 HE2 LYS 73 -13.518 7.930 -24.810 577 2HE LYS 73 HE1 LYS 73 -14.877 8.597 -23.910 578 1HZ LYS 73 HZ2 LYS 73 -13.207 6.395 -22.844 579 2HZ LYS 73 HZ1 LYS 73 -12.804 8.028 -22.605 580 3HZ LYS 73 HZ3 LYS 73 -14.267 7.427 -21.989 581 H HIS 74 HN HIS 74 -16.105 2.232 -24.705 582 HA HIS 74 HA HIS 74 -18.460 0.666 -25.517 583 1HB HIS 74 HB2 HIS 74 -15.579 -0.027 -24.945 584 2HB HIS 74 HB1 HIS 74 -16.814 -1.258 -25.160 585 HD1 HIS 74 HD1 HIS 74 -15.592 1.776 -27.064 586 HD2 HIS 74 HD2 HIS 74 -17.032 -2.031 -27.781 587 HE1 HIS 74 HE1 HIS 74 -15.527 1.521 -29.550 588 H VAL 75 HN VAL 75 -19.924 0.462 -23.975 589 HA VAL 75 HA VAL 75 -19.096 -0.344 -21.244 590 HB VAL 75 HB VAL 75 -21.563 1.216 -22.080 591 1HG1 VAL 75 HG12 VAL 75 -20.626 0.165 -19.422 592 2HG1 VAL 75 HG11 VAL 75 -21.708 1.554 -19.536 593 3HG1 VAL 75 HG13 VAL 75 -22.208 -0.004 -20.193 594 1HG2 VAL 75 HG23 VAL 75 -19.062 2.272 -21.872 595 2HG2 VAL 75 HG22 VAL 75 -20.557 3.161 -21.601 596 3HG2 VAL 75 HG21 VAL 75 -19.668 2.488 -20.234 597 H PHE 76 HN PHE 76 -20.505 -1.942 -20.240 598 HA PHE 76 HA PHE 76 -22.502 -3.224 -21.950 599 1HB PHE 76 HB2 PHE 76 -21.613 -5.456 -21.692 600 2HB PHE 76 HB1 PHE 76 -20.444 -4.429 -22.495 601 HD1 PHE 76 HD1 PHE 76 -18.349 -3.814 -21.394 602 HD2 PHE 76 HD2 PHE 76 -21.195 -6.367 -19.487 603 HE1 PHE 76 HE1 PHE 76 -16.628 -4.533 -19.782 604 HE2 PHE 76 HE2 PHE 76 -19.478 -7.080 -17.869 605 HZ PHE 76 HZ PHE 76 -17.187 -6.162 -18.019 606 H LYS 77 HN LYS 77 -24.130 -4.164 -20.859 607 HA LYS 77 HA LYS 77 -24.253 -3.616 -17.974 608 1HB LYS 77 HB2 LYS 77 -26.553 -4.681 -19.575 609 2HB LYS 77 HB1 LYS 77 -26.569 -3.616 -18.175 610 1HG LYS 77 HG2 LYS 77 -25.341 -1.942 -19.796 611 2HG LYS 77 HG1 LYS 77 -26.034 -2.958 -21.057 612 1HD LYS 77 HD2 LYS 77 -27.726 -1.807 -18.836 613 2HD LYS 77 HD1 LYS 77 -27.385 -0.900 -20.308 614 1HE LYS 77 HE2 LYS 77 -29.180 -1.924 -21.188 615 2HE LYS 77 HE1 LYS 77 -28.175 -3.364 -21.285 616 1HZ LYS 77 HZ1 LYS 77 -29.762 -2.701 -18.867 617 2HZ LYS 77 HZ3 LYS 77 -30.390 -3.607 -20.164 618 3HZ LYS 77 HZ2 LYS 77 -29.052 -4.192 -19.295 619 H LEU 78 HN LEU 78 -23.971 -5.161 -16.545 620 HA LEU 78 HA LEU 78 -24.139 -7.989 -17.390 621 1HB LEU 78 HB2 LEU 78 -21.873 -7.112 -16.785 622 2HB LEU 78 HB1 LEU 78 -22.477 -6.797 -15.169 623 HG LEU 78 HG LEU 78 -22.623 -9.019 -14.653 624 1HD1 LEU 78 HD13 LEU 78 -22.690 -9.611 -17.603 625 2HD1 LEU 78 HD12 LEU 78 -22.473 -10.861 -16.379 626 3HD1 LEU 78 HD11 LEU 78 -23.953 -9.911 -16.410 627 1HD2 LEU 78 HD22 LEU 78 -20.278 -8.251 -15.067 628 2HD2 LEU 78 HD21 LEU 78 -20.517 -9.999 -15.112 629 3HD2 LEU 78 HD23 LEU 78 -20.362 -9.089 -16.615 630 H ARG 79 HN ARG 79 -25.982 -8.821 -16.691 631 HA ARG 79 HA ARG 79 -27.129 -7.998 -14.092 632 1HB ARG 79 HB2 ARG 79 -28.572 -7.832 -16.101 633 2HB ARG 79 HB1 ARG 79 -28.378 -9.559 -16.365 634 1HG ARG 79 HG2 ARG 79 -29.265 -9.645 -13.830 635 2HG ARG 79 HG1 ARG 79 -29.991 -8.121 -14.311 636 1HD ARG 79 HD2 ARG 79 -30.348 -10.772 -15.717 637 2HD ARG 79 HD1 ARG 79 -31.540 -9.962 -14.699 638 HE ARG 79 HE ARG 79 -30.578 -8.955 -17.330 639 1HH1 ARG 79 HH21 ARG 79 -31.599 -6.595 -16.634 640 2HH1 ARG 79 HH22 ARG 79 -33.334 -6.685 -16.571 641 1HH2 ARG 79 HH11 ARG 79 -33.379 -10.215 -16.499 642 2HH2 ARG 79 HH12 ARG 79 -34.366 -8.771 -16.565 643 H LEU 80 HN LEU 80 -26.878 -9.310 -12.414 644 HA LEU 80 HA LEU 80 -25.772 -11.985 -12.737 645 1HB LEU 80 HB2 LEU 80 -26.552 -10.423 -10.259 646 2HB LEU 80 HB1 LEU 80 -25.690 -11.960 -10.264 647 HG LEU 80 HG LEU 80 -24.732 -9.317 -11.339 648 1HD1 LEU 80 HD13 LEU 80 -24.627 -9.974 -8.836 649 2HD1 LEU 80 HD12 LEU 80 -23.325 -11.049 -9.346 650 3HD1 LEU 80 HD11 LEU 80 -23.186 -9.309 -9.606 651 1HD2 LEU 80 HD23 LEU 80 -23.669 -12.093 -11.777 652 2HD2 LEU 80 HD22 LEU 80 -23.874 -10.780 -12.941 653 3HD2 LEU 80 HD21 LEU 80 -22.581 -10.706 -11.745 654 H SER 81 HN SER 81 -26.752 -13.866 -11.682 655 HA SER 81 HA SER 81 -29.455 -14.259 -12.449 656 1HB SER 81 HB2 SER 81 -28.908 -16.421 -10.890 657 2HB SER 81 HB1 SER 81 -28.424 -16.254 -12.575 658 HG SER 81 HG SER 81 -26.463 -16.461 -11.852 659 H ASP 82 HN ASP 82 -28.203 -12.865 -9.598 660 HA ASP 82 HA ASP 82 -30.376 -13.743 -7.856 661 1HB ASP 82 HB2 ASP 82 -29.331 -12.302 -6.161 662 2HB ASP 82 HB1 ASP 82 -28.161 -13.407 -6.872 663 H GLY 83 HN GLY 83 -29.620 -11.094 -9.955 664 1HA GLY 83 HA2 GLY 83 -31.702 -9.921 -10.760 665 2HA GLY 83 HA1 GLY 83 -32.009 -9.584 -9.058 666 H ASN 84 HN ASN 84 -28.862 -9.357 -8.893 667 HA ASN 84 HA ASN 84 -28.745 -6.523 -8.876 668 1HB ASN 84 HB2 ASN 84 -26.699 -8.711 -8.687 669 2HB ASN 84 HB1 ASN 84 -26.156 -7.053 -8.916 670 1HD2 ASN 84 HD22 ASN 84 -26.476 -7.974 -5.246 671 2HD2 ASN 84 HD21 ASN 84 -25.789 -8.795 -6.608 672 H GLU 85 HN GLU 85 -28.394 -5.077 -10.413 673 HA GLU 85 HA GLU 85 -27.393 -5.952 -13.069 674 1HB GLU 85 HB2 GLU 85 -29.650 -4.170 -12.248 675 2HB GLU 85 HB1 GLU 85 -28.780 -3.780 -13.734 676 1HG GLU 85 HG2 GLU 85 -29.174 -6.193 -14.437 677 2HG GLU 85 HG1 GLU 85 -30.273 -6.324 -13.065 678 H TYR 86 HN TYR 86 -25.379 -5.226 -13.352 679 HA TYR 86 HA TYR 86 -24.671 -2.487 -12.449 680 1HB TYR 86 HB2 TYR 86 -22.740 -4.802 -12.664 681 2HB TYR 86 HB1 TYR 86 -22.431 -3.215 -11.984 682 HD1 TYR 86 HD1 TYR 86 -24.639 -2.793 -10.161 683 HD2 TYR 86 HD2 TYR 86 -22.429 -6.359 -10.938 684 HE1 TYR 86 HE1 TYR 86 -25.244 -3.659 -7.939 685 HE2 TYR 86 HE2 TYR 86 -23.024 -7.216 -8.719 686 HH TYR 86 HH TYR 86 -24.874 -5.245 -6.417 687 H LEU 87 HN LEU 87 -23.455 -1.248 -13.846 688 HA LEU 87 HA LEU 87 -23.180 -2.243 -16.621 689 1HB LEU 87 HB2 LEU 87 -22.865 0.622 -15.714 690 2HB LEU 87 HB1 LEU 87 -23.093 0.024 -17.348 691 HG LEU 87 HG LEU 87 -25.109 0.182 -15.125 692 1HD1 LEU 87 HD11 LEU 87 -24.549 2.099 -16.782 693 2HD1 LEU 87 HD13 LEU 87 -25.468 1.140 -17.938 694 3HD1 LEU 87 HD12 LEU 87 -26.235 1.708 -16.452 695 1HD2 LEU 87 HD21 LEU 87 -25.094 -1.583 -17.519 696 2HD2 LEU 87 HD23 LEU 87 -25.795 -1.853 -15.927 697 3HD2 LEU 87 HD22 LEU 87 -26.613 -0.801 -17.084 698 H PHE 88 HN PHE 88 -21.188 -2.655 -17.384 699 HA PHE 88 HA PHE 88 -18.857 -1.781 -15.783 700 1HB PHE 88 HB2 PHE 88 -19.408 -4.280 -17.336 701 2HB PHE 88 HB1 PHE 88 -17.762 -3.793 -16.956 702 HD1 PHE 88 HD1 PHE 88 -17.232 -3.319 -14.463 703 HD2 PHE 88 HD2 PHE 88 -20.643 -5.521 -15.788 704 HE1 PHE 88 HE1 PHE 88 -17.429 -4.349 -12.237 705 HE2 PHE 88 HE2 PHE 88 -20.842 -6.546 -13.560 706 HZ PHE 88 HZ PHE 88 -19.239 -5.966 -11.784 707 H GLN 89 HN GLN 89 -17.496 -0.413 -16.730 708 HA GLN 89 HA GLN 89 -17.657 0.014 -19.662 709 1HB GLN 89 HB2 GLN 89 -18.079 1.947 -18.059 710 2HB GLN 89 HB1 GLN 89 -16.381 1.839 -17.632 711 1HG GLN 89 HG2 GLN 89 -15.772 2.207 -20.009 712 2HG GLN 89 HG1 GLN 89 -17.478 2.387 -20.396 713 1HE2 GLN 89 HE22 GLN 89 -15.548 5.319 -18.267 714 2HE2 GLN 89 HE21 GLN 89 -14.955 3.682 -18.266 715 H ALA 90 HN ALA 90 -15.932 -0.247 -20.932 716 HA ALA 90 HA ALA 90 -13.355 -1.077 -19.706 717 1HB ALA 90 HB3 ALA 90 -14.535 -2.843 -21.046 718 2HB ALA 90 HB2 ALA 90 -14.390 -1.794 -22.460 719 3HB ALA 90 HB1 ALA 90 -12.940 -2.411 -21.664 720 H LYS 91 HN LYS 91 -11.432 -0.373 -20.840 721 HA LYS 91 HA LYS 91 -11.788 2.297 -22.027 722 1HB LYS 91 HB2 LYS 91 -9.541 2.740 -21.426 723 2HB LYS 91 HB1 LYS 91 -10.276 1.927 -20.052 724 1HG LYS 91 HG2 LYS 91 -9.241 -0.180 -21.465 725 2HG LYS 91 HG1 LYS 91 -8.058 1.078 -21.787 726 1HD LYS 91 HD2 LYS 91 -7.943 1.479 -19.305 727 2HD LYS 91 HD1 LYS 91 -8.960 0.058 -19.089 728 1HE LYS 91 HE2 LYS 91 -6.123 0.234 -20.010 729 2HE LYS 91 HE1 LYS 91 -6.856 -0.858 -18.843 730 1HZ LYS 91 HZ1 LYS 91 -8.072 -1.846 -20.813 731 2HZ LYS 91 HZ3 LYS 91 -6.973 -0.994 -21.802 732 3HZ LYS 91 HZ2 LYS 91 -6.400 -2.160 -20.703 733 H ASP 92 HN ASP 92 -10.601 -0.908 -22.861 734 HA ASP 92 HA ASP 92 -9.786 0.083 -25.529 735 1HB ASP 92 HB2 ASP 92 -8.834 -2.224 -23.844 736 2HB ASP 92 HB1 ASP 92 -8.604 -2.231 -25.589 737 H ASP 93 HN ASP 93 -10.365 -1.023 -27.340 738 HA ASP 93 HA ASP 93 -13.022 -1.914 -27.553 739 1HB ASP 93 HB2 ASP 93 -10.982 -1.194 -29.306 740 2HB ASP 93 HB1 ASP 93 -11.253 -2.889 -29.687 741 H GLU 94 HN GLU 94 -9.987 -3.763 -27.510 742 HA GLU 94 HA GLU 94 -11.166 -6.331 -27.891 743 1HB GLU 94 HB2 GLU 94 -8.580 -5.958 -26.405 744 2HB GLU 94 HB1 GLU 94 -9.040 -7.219 -27.538 745 1HG GLU 94 HG2 GLU 94 -7.658 -6.014 -28.912 746 2HG GLU 94 HG1 GLU 94 -9.152 -5.134 -29.221 747 H GLU 95 HN GLU 95 -9.989 -4.658 -24.989 748 HA GLU 95 HA GLU 95 -10.436 -6.470 -22.989 749 1HB GLU 95 HB2 GLU 95 -9.672 -3.900 -23.061 750 2HB GLU 95 HB1 GLU 95 -11.294 -3.683 -22.431 751 1HG GLU 95 HG2 GLU 95 -10.813 -5.170 -20.566 752 2HG GLU 95 HG1 GLU 95 -9.218 -5.522 -21.229 753 H MET 96 HN MET 96 -12.886 -4.228 -24.346 754 HA MET 96 HA MET 96 -15.031 -4.946 -22.658 755 1HB MET 96 HB2 MET 96 -14.925 -3.003 -24.314 756 2HB MET 96 HB1 MET 96 -15.359 -4.170 -25.558 757 1HG MET 96 HG2 MET 96 -17.235 -4.674 -23.590 758 2HG MET 96 HG1 MET 96 -17.014 -2.935 -23.458 759 1HE MET 96 HE3 MET 96 -17.583 -5.885 -25.703 760 2HE MET 96 HE2 MET 96 -18.688 -5.331 -26.960 761 3HE MET 96 HE1 MET 96 -16.961 -5.014 -27.109 762 H ASN 97 HN ASN 97 -13.998 -6.324 -25.771 763 HA ASN 97 HA ASN 97 -16.125 -8.227 -25.975 764 1HB ASN 97 HB2 ASN 97 -14.833 -7.472 -27.935 765 2HB ASN 97 HB1 ASN 97 -13.385 -8.230 -27.281 766 1HD2 ASN 97 HD22 ASN 97 -14.199 -11.448 -28.381 767 2HD2 ASN 97 HD21 ASN 97 -13.095 -10.414 -27.535 768 H THR 98 HN THR 98 -12.783 -8.383 -24.791 769 HA THR 98 HA THR 98 -12.620 -11.128 -24.212 770 HB THR 98 HB THR 98 -11.286 -8.885 -22.677 771 HG1 THR 98 HG1 THR 98 -11.164 -9.394 -25.280 772 1HG2 THR 98 HG21 THR 98 -10.547 -11.771 -23.191 773 2HG2 THR 98 HG23 THR 98 -9.413 -10.573 -22.572 774 3HG2 THR 98 HG22 THR 98 -10.851 -10.992 -21.638 775 H TRP 99 HN TRP 99 -13.748 -8.423 -22.185 776 HA TRP 99 HA TRP 99 -14.191 -9.945 -19.819 777 1HB TRP 99 HB2 TRP 99 -15.031 -7.242 -20.807 778 2HB TRP 99 HB1 TRP 99 -15.866 -7.916 -19.413 779 HD1 TRP 99 HD1 TRP 99 -12.979 -5.796 -20.174 780 HE1 TRP 99 HE1 TRP 99 -11.371 -5.699 -18.188 781 HE3 TRP 99 HE3 TRP 99 -14.764 -9.709 -17.393 782 HZ2 TRP 99 HZ2 TRP 99 -10.901 -7.049 -15.789 783 HZ3 TRP 99 HZ3 TRP 99 -13.684 -10.247 -15.254 784 HH2 TRP 99 HH2 TRP 99 -11.763 -8.929 -14.454 785 H ILE 100 HN ILE 100 -16.501 -8.774 -22.294 786 HA ILE 100 HA ILE 100 -18.824 -9.931 -21.263 787 HB ILE 100 HB ILE 100 -18.013 -9.256 -24.088 788 1HG1 ILE 100 HG12 ILE 100 -19.893 -7.905 -22.142 789 2HG1 ILE 100 HG11 ILE 100 -18.240 -7.399 -22.456 790 1HG2 ILE 100 HG22 ILE 100 -20.641 -10.305 -23.056 791 2HG2 ILE 100 HG21 ILE 100 -20.541 -9.312 -24.512 792 3HG2 ILE 100 HG23 ILE 100 -19.701 -10.862 -24.442 793 1HD1 ILE 100 HD12 ILE 100 -19.233 -7.449 -24.989 794 2HD1 ILE 100 HD11 ILE 100 -20.677 -7.008 -24.073 795 3HD1 ILE 100 HD13 ILE 100 -19.224 -6.016 -23.958 796 H GLN 101 HN GLN 101 -16.530 -11.328 -23.632 797 HA GLN 101 HA GLN 101 -17.961 -13.776 -23.948 798 1HB GLN 101 HB2 GLN 101 -15.096 -13.045 -24.559 799 2HB GLN 101 HB1 GLN 101 -15.828 -14.598 -24.973 800 1HG GLN 101 HG2 GLN 101 -17.675 -13.144 -26.116 801 2HG GLN 101 HG1 GLN 101 -16.476 -11.859 -26.057 802 1HE2 GLN 101 HE22 GLN 101 -14.208 -14.033 -28.113 803 2HE2 GLN 101 HE21 GLN 101 -14.159 -13.433 -26.482 804 H ALA 102 HN ALA 102 -15.404 -12.757 -21.724 805 HA ALA 102 HA ALA 102 -14.767 -15.327 -20.676 806 1HB ALA 102 HB1 ALA 102 -14.576 -12.606 -19.353 807 2HB ALA 102 HB3 ALA 102 -13.807 -14.084 -18.775 808 3HB ALA 102 HB2 ALA 102 -13.322 -13.377 -20.317 809 H ILE 103 HN ILE 103 -16.987 -12.774 -19.581 810 HA ILE 103 HA ILE 103 -18.025 -14.110 -17.305 811 HB ILE 103 HB ILE 103 -19.081 -11.880 -19.043 812 1HG1 ILE 103 HG12 ILE 103 -18.275 -11.553 -16.190 813 2HG1 ILE 103 HG11 ILE 103 -16.999 -11.800 -17.373 814 1HG2 ILE 103 HG21 ILE 103 -20.374 -13.229 -16.707 815 2HG2 ILE 103 HG23 ILE 103 -20.533 -11.483 -16.883 816 3HG2 ILE 103 HG22 ILE 103 -21.100 -12.550 -18.166 817 1HD1 ILE 103 HD13 ILE 103 -18.958 -9.828 -18.263 818 2HD1 ILE 103 HD12 ILE 103 -18.184 -9.379 -16.738 819 3HD1 ILE 103 HD11 ILE 103 -17.202 -9.707 -18.161 820 H SER 104 HN SER 104 -18.962 -14.152 -20.712 821 HA SER 104 HA SER 104 -21.444 -15.539 -20.366 822 1HB SER 104 HB2 SER 104 -19.665 -15.388 -22.814 823 2HB SER 104 HB1 SER 104 -21.352 -15.902 -22.784 824 HG SER 104 HG SER 104 -20.335 -13.315 -22.129 825 H SER 105 HN SER 105 -18.162 -16.530 -20.274 826 HA SER 105 HA SER 105 -18.726 -19.347 -20.853 827 1HB SER 105 HB2 SER 105 -16.110 -18.085 -19.996 828 2HB SER 105 HB1 SER 105 -16.346 -19.666 -20.740 829 HG SER 105 HG SER 105 -16.703 -17.093 -21.911 830 H ALA 106 HN ALA 106 -16.790 -17.845 -18.262 831 HA ALA 106 HA ALA 106 -18.362 -18.585 -16.059 832 1HB ALA 106 HB1 ALA 106 -16.314 -20.617 -16.944 833 2HB ALA 106 HB3 ALA 106 -16.791 -20.469 -15.252 834 3HB ALA 106 HB2 ALA 106 -17.992 -20.887 -16.468 No H/Q in entry = 834 Start of MODEL 12 1 1H MET 1 HT2 MET 1 -8.562 -13.667 -15.233 2 2H MET 1 HT1 MET 1 -9.391 -14.377 -16.548 3 3H MET 1 HT3 MET 1 -7.770 -13.899 -16.717 4 HA MET 1 HA MET 1 -8.395 -11.953 -17.426 5 1HB MET 1 HB2 MET 1 -11.028 -13.250 -17.048 6 2HB MET 1 HB1 MET 1 -11.063 -11.492 -17.128 7 1HG MET 1 HG2 MET 1 -9.732 -13.272 -19.174 8 2HG MET 1 HG1 MET 1 -11.344 -12.591 -19.343 9 1HE MET 1 HE3 MET 1 -11.909 -10.260 -19.195 10 2HE MET 1 HE2 MET 1 -10.756 -9.220 -18.359 11 3HE MET 1 HE1 MET 1 -11.014 -9.026 -20.092 12 H GLU 2 HN GLU 2 -7.383 -10.624 -16.068 13 HA GLU 2 HA GLU 2 -8.891 -9.525 -13.765 14 1HB GLU 2 HB2 GLU 2 -5.917 -10.134 -13.873 15 2HB GLU 2 HB1 GLU 2 -6.749 -9.328 -12.550 16 1HG GLU 2 HG2 GLU 2 -6.922 -11.394 -11.655 17 2HG GLU 2 HG1 GLU 2 -8.244 -11.605 -12.801 18 H GLY 3 HN GLY 3 -8.947 -7.327 -13.708 19 1HA GLY 3 HA2 GLY 3 -7.016 -5.539 -14.640 20 2HA GLY 3 HA1 GLY 3 -8.142 -5.814 -15.970 21 H PHE 4 HN PHE 4 -8.061 -3.328 -15.201 22 HA PHE 4 HA PHE 4 -9.949 -2.719 -13.071 23 1HB PHE 4 HB2 PHE 4 -8.309 -1.096 -14.976 24 2HB PHE 4 HB1 PHE 4 -9.603 -0.341 -14.065 25 HD1 PHE 4 HD1 PHE 4 -9.597 -0.643 -11.525 26 HD2 PHE 4 HD2 PHE 4 -6.184 -1.347 -13.994 27 HE1 PHE 4 HE1 PHE 4 -8.128 -0.382 -9.576 28 HE2 PHE 4 HE2 PHE 4 -4.718 -1.080 -12.040 29 HZ PHE 4 HZ PHE 4 -5.685 -0.596 -9.828 30 H LEU 5 HN LEU 5 -11.958 -1.957 -13.288 31 HA LEU 5 HA LEU 5 -13.184 -1.476 -15.911 32 1HB LEU 5 HB2 LEU 5 -13.837 -3.748 -14.074 33 2HB LEU 5 HB1 LEU 5 -15.180 -2.905 -14.826 34 HG LEU 5 HG LEU 5 -12.889 -4.215 -16.295 35 1HD1 LEU 5 HD11 LEU 5 -15.631 -5.104 -15.529 36 2HD1 LEU 5 HD13 LEU 5 -14.971 -5.621 -17.083 37 3HD1 LEU 5 HD12 LEU 5 -14.120 -6.016 -15.585 38 1HD2 LEU 5 HD22 LEU 5 -15.290 -2.669 -17.224 39 2HD2 LEU 5 HD21 LEU 5 -13.601 -2.483 -17.701 40 3HD2 LEU 5 HD23 LEU 5 -14.525 -3.879 -18.254 41 H ASN 6 HN ASN 6 -14.895 -0.011 -15.756 42 HA ASN 6 HA ASN 6 -15.203 1.347 -13.169 43 1HB ASN 6 HB2 ASN 6 -16.463 2.012 -15.819 44 2HB ASN 6 HB1 ASN 6 -16.511 3.000 -14.385 45 1HD2 ASN 6 HD22 ASN 6 -13.351 4.420 -14.809 46 2HD2 ASN 6 HD21 ASN 6 -14.769 4.245 -13.824 47 H ARG 7 HN ARG 7 -16.770 0.773 -11.787 48 HA ARG 7 HA ARG 7 -19.011 -0.862 -12.837 49 1HB ARG 7 HB2 ARG 7 -17.480 -1.940 -11.185 50 2HB ARG 7 HB1 ARG 7 -17.948 -0.726 -10.003 51 1HG ARG 7 HG2 ARG 7 -20.247 -1.487 -10.050 52 2HG ARG 7 HG1 ARG 7 -19.894 -2.591 -11.374 53 1HD ARG 7 HD2 ARG 7 -19.841 -4.040 -9.569 54 2HD ARG 7 HD1 ARG 7 -18.137 -3.590 -9.683 55 HE ARG 7 HE ARG 7 -19.006 -1.737 -7.951 56 1HH1 ARG 7 HH11 ARG 7 -17.979 -4.833 -7.498 57 2HH1 ARG 7 HH12 ARG 7 -18.908 -5.190 -6.068 58 1HH2 ARG 7 HH21 ARG 7 -20.956 -2.351 -6.343 59 2HH2 ARG 7 HH22 ARG 7 -20.585 -3.778 -5.422 60 H LYS 8 HN LYS 8 -21.024 -0.227 -12.583 61 HA LYS 8 HA LYS 8 -21.743 1.925 -10.714 62 1HB LYS 8 HB2 LYS 8 -21.379 3.087 -12.787 63 2HB LYS 8 HB1 LYS 8 -22.298 1.903 -13.689 64 1HG LYS 8 HG2 LYS 8 -23.918 3.002 -11.557 65 2HG LYS 8 HG1 LYS 8 -23.233 4.300 -12.531 66 1HD LYS 8 HD2 LYS 8 -24.353 3.665 -14.435 67 2HD LYS 8 HD1 LYS 8 -24.405 1.970 -13.969 68 1HE LYS 8 HE2 LYS 8 -26.313 2.199 -12.720 69 2HE LYS 8 HE1 LYS 8 -25.965 3.875 -12.303 70 1HZ LYS 8 HZ2 LYS 8 -26.522 3.328 -15.108 71 2HZ LYS 8 HZ1 LYS 8 -27.832 3.187 -14.024 72 3HZ LYS 8 HZ3 LYS 8 -26.976 4.658 -14.140 73 H HIS 9 HN HIS 9 -23.215 0.973 -9.472 74 HA HIS 9 HA HIS 9 -24.773 -1.266 -10.424 75 1HB HIS 9 HB2 HIS 9 -25.662 -1.386 -8.147 76 2HB HIS 9 HB1 HIS 9 -23.911 -1.359 -8.170 77 HD1 HIS 9 HD1 HIS 9 -25.131 -0.712 -5.569 78 HD2 HIS 9 HD2 HIS 9 -24.437 2.237 -8.399 79 HE1 HIS 9 HE1 HIS 9 -25.066 1.432 -4.277 80 H GLU 10 HN GLU 10 -26.813 -1.312 -11.045 81 HA GLU 10 HA GLU 10 -28.311 1.217 -11.307 82 1HB GLU 10 HB2 GLU 10 -27.876 -0.175 -13.337 83 2HB GLU 10 HB1 GLU 10 -28.789 -1.485 -12.599 84 1HG GLU 10 HG2 GLU 10 -30.474 -0.563 -13.838 85 2HG GLU 10 HG1 GLU 10 -30.649 0.430 -12.394 86 H TRP 11 HN TRP 11 -28.722 -2.158 -10.369 87 HA TRP 11 HA TRP 11 -30.696 -1.422 -8.324 88 1HB TRP 11 HB2 TRP 11 -32.016 -2.109 -10.237 89 2HB TRP 11 HB1 TRP 11 -31.027 -3.540 -10.454 90 HD1 TRP 11 HD1 TRP 11 -33.640 -2.123 -7.931 91 HE1 TRP 11 HE1 TRP 11 -34.785 -4.134 -6.844 92 HE3 TRP 11 HE3 TRP 11 -30.880 -5.914 -9.947 93 HZ2 TRP 11 HZ2 TRP 11 -34.593 -6.936 -6.832 94 HZ3 TRP 11 HZ3 TRP 11 -31.423 -8.239 -9.376 95 HH2 TRP 11 HH2 TRP 11 -33.256 -8.753 -7.827 96 H GLU 12 HN GLU 12 -29.717 -2.005 -6.551 97 HA GLU 12 HA GLU 12 -28.452 -4.662 -6.315 98 1HB GLU 12 HB2 GLU 12 -26.793 -2.716 -6.688 99 2HB GLU 12 HB1 GLU 12 -27.254 -2.175 -5.076 100 1HG GLU 12 HG2 GLU 12 -26.527 -4.330 -4.144 101 2HG GLU 12 HG1 GLU 12 -26.114 -4.895 -5.758 102 H ALA 13 HN ALA 13 -30.920 -4.464 -5.524 103 HA ALA 13 HA ALA 13 -30.856 -4.791 -2.675 104 1HB ALA 13 HB1 ALA 13 -31.019 -2.336 -2.777 105 2HB ALA 13 HB3 ALA 13 -32.442 -2.468 -3.813 106 3HB ALA 13 HB2 ALA 13 -32.506 -3.028 -2.142 107 H HIS 14 HN HIS 14 -33.502 -4.753 -2.053 108 HA HIS 14 HA HIS 14 -34.521 -7.062 -3.400 109 1HB HIS 14 HB2 HIS 14 -36.361 -6.964 -1.891 110 2HB HIS 14 HB1 HIS 14 -34.922 -6.514 -0.994 111 HD1 HIS 14 HD1 HIS 14 -38.229 -5.663 -0.959 112 HD2 HIS 14 HD2 HIS 14 -34.833 -3.318 -1.318 113 HE1 HIS 14 HE1 HIS 14 -38.952 -3.354 -0.295 114 H ASN 15 HN ASN 15 -35.498 -3.643 -3.435 115 HA ASN 15 HA ASN 15 -36.396 -3.743 -6.143 116 1HB ASN 15 HB2 ASN 15 -38.323 -4.879 -4.965 117 2HB ASN 15 HB1 ASN 15 -38.574 -3.396 -4.054 118 1HD2 ASN 15 HD22 ASN 15 -39.297 -3.295 -8.119 119 2HD2 ASN 15 HD21 ASN 15 -38.036 -4.316 -7.486 120 H LYS 16 HN LYS 16 -34.527 -2.204 -5.176 121 HA LYS 16 HA LYS 16 -35.695 0.499 -5.173 122 1HB LYS 16 HB2 LYS 16 -33.666 -0.547 -3.175 123 2HB LYS 16 HB1 LYS 16 -33.948 1.166 -3.468 124 1HG LYS 16 HG2 LYS 16 -36.300 0.899 -2.806 125 2HG LYS 16 HG1 LYS 16 -36.024 -0.818 -2.510 126 1HD LYS 16 HD2 LYS 16 -34.733 -0.426 -0.618 127 2HD LYS 16 HD1 LYS 16 -34.293 1.203 -1.126 128 1HE LYS 16 HE2 LYS 16 -35.836 1.317 0.751 129 2HE LYS 16 HE1 LYS 16 -36.619 1.947 -0.696 130 1HZ LYS 16 HZ3 LYS 16 -37.630 -0.292 -0.972 131 2HZ LYS 16 HZ2 LYS 16 -37.013 -0.713 0.565 132 3HZ LYS 16 HZ1 LYS 16 -38.154 0.548 0.403 133 H LYS 17 HN LYS 17 -34.565 1.899 -6.451 134 HA LYS 17 HA LYS 17 -32.442 0.833 -8.104 135 1HB LYS 17 HB2 LYS 17 -34.370 2.656 -8.586 136 2HB LYS 17 HB1 LYS 17 -33.046 3.745 -8.178 137 1HG LYS 17 HG2 LYS 17 -31.835 3.195 -10.036 138 2HG LYS 17 HG1 LYS 17 -32.434 1.539 -10.073 139 1HD LYS 17 HD2 LYS 17 -33.313 2.713 -11.984 140 2HD LYS 17 HD1 LYS 17 -34.630 2.376 -10.866 141 1HE LYS 17 HE2 LYS 17 -34.838 4.639 -11.713 142 2HE LYS 17 HE1 LYS 17 -34.457 4.684 -9.995 143 1HZ LYS 17 HZ2 LYS 17 -32.182 4.741 -11.797 144 2HZ LYS 17 HZ1 LYS 17 -33.191 6.117 -11.831 145 3HZ LYS 17 HZ3 LYS 17 -32.475 5.629 -10.369 146 H ALA 18 HN ALA 18 -30.365 1.840 -8.368 147 HA ALA 18 HA ALA 18 -29.159 2.585 -5.802 148 1HB ALA 18 HB2 ALA 18 -28.182 1.487 -8.394 149 2HB ALA 18 HB1 ALA 18 -27.047 2.371 -7.381 150 3HB ALA 18 HB3 ALA 18 -27.863 0.942 -6.750 151 H SER 19 HN SER 19 -27.402 4.227 -5.853 152 HA SER 19 HA SER 19 -27.278 6.291 -7.795 153 1HB SER 19 HB2 SER 19 -28.319 8.051 -6.071 154 2HB SER 19 HB1 SER 19 -29.295 7.240 -7.289 155 HG SER 19 HG SER 19 -29.144 5.700 -5.077 156 H SER 20 HN SER 20 -26.626 5.185 -4.527 157 HA SER 20 HA SER 20 -24.967 7.258 -3.619 158 1HB SER 20 HB2 SER 20 -24.514 4.404 -2.814 159 2HB SER 20 HB1 SER 20 -24.445 5.870 -1.841 160 HG SER 20 HG SER 20 -26.677 5.990 -1.853 161 H ARG 21 HN ARG 21 -24.024 4.170 -5.203 162 HA ARG 21 HA ARG 21 -21.305 5.292 -5.611 163 1HB ARG 21 HB2 ARG 21 -22.116 2.377 -5.650 164 2HB ARG 21 HB1 ARG 21 -20.484 3.033 -5.673 165 1HG ARG 21 HG2 ARG 21 -21.689 4.146 -3.390 166 2HG ARG 21 HG1 ARG 21 -22.202 2.465 -3.413 167 1HD ARG 21 HD2 ARG 21 -20.152 2.597 -2.162 168 2HD ARG 21 HD1 ARG 21 -19.801 1.799 -3.693 169 HE ARG 21 HE ARG 21 -18.347 3.534 -4.180 170 1HH1 ARG 21 HH11 ARG 21 -20.249 5.831 -4.279 171 2HH1 ARG 21 HH12 ARG 21 -19.714 6.861 -2.981 172 1HH2 ARG 21 HH21 ARG 21 -17.849 4.307 -1.404 173 2HH2 ARG 21 HH22 ARG 21 -18.341 5.985 -1.325 174 H SER 22 HN SER 22 -22.297 6.451 -7.453 175 HA SER 22 HA SER 22 -22.925 4.808 -9.798 176 1HB SER 22 HB2 SER 22 -22.832 7.818 -9.746 177 2HB SER 22 HB1 SER 22 -23.773 6.753 -10.790 178 HG SER 22 HG SER 22 -24.169 7.329 -8.032 179 H TRP 23 HN TRP 23 -21.236 4.040 -10.840 180 HA TRP 23 HA TRP 23 -19.346 3.851 -12.055 181 1HB TRP 23 HB2 TRP 23 -19.753 6.830 -12.277 182 2HB TRP 23 HB1 TRP 23 -18.409 6.014 -13.063 183 HD1 TRP 23 HD1 TRP 23 -21.818 7.102 -13.874 184 HE1 TRP 23 HE1 TRP 23 -22.763 5.767 -15.844 185 HE3 TRP 23 HE3 TRP 23 -18.440 3.285 -14.031 186 HZ2 TRP 23 HZ2 TRP 23 -22.191 3.380 -17.267 187 HZ3 TRP 23 HZ3 TRP 23 -18.667 1.519 -15.692 188 HH2 TRP 23 HH2 TRP 23 -20.534 1.554 -17.317 189 H HIS 24 HN HIS 24 -17.940 2.969 -10.695 190 HA HIS 24 HA HIS 24 -15.873 4.719 -9.535 191 1HB HIS 24 HB2 HIS 24 -15.702 2.965 -7.639 192 2HB HIS 24 HB1 HIS 24 -16.966 4.180 -7.544 193 HD1 HIS 24 HD1 HIS 24 -19.404 3.364 -7.863 194 HD2 HIS 24 HD2 HIS 24 -16.603 0.323 -7.870 195 HE1 HIS 24 HE1 HIS 24 -20.737 1.255 -7.610 196 H ASN 25 HN ASN 25 -13.862 4.079 -10.025 197 HA ASN 25 HA ASN 25 -13.449 1.890 -11.858 198 1HB ASN 25 HB2 ASN 25 -12.186 4.053 -11.929 199 2HB ASN 25 HB1 ASN 25 -11.388 3.601 -10.425 200 1HD2 ASN 25 HD22 ASN 25 -8.866 2.413 -12.622 201 2HD2 ASN 25 HD21 ASN 25 -9.376 3.735 -11.620 202 H VAL 26 HN VAL 26 -13.511 -0.142 -11.132 203 HA VAL 26 HA VAL 26 -12.107 -0.824 -8.611 204 HB VAL 26 HB VAL 26 -14.695 -0.911 -8.698 205 1HG1 VAL 26 HG13 VAL 26 -14.686 -2.179 -10.906 206 2HG1 VAL 26 HG12 VAL 26 -14.206 -3.593 -9.966 207 3HG1 VAL 26 HG11 VAL 26 -15.744 -2.799 -9.637 208 1HG2 VAL 26 HG22 VAL 26 -13.183 -1.902 -6.947 209 2HG2 VAL 26 HG21 VAL 26 -14.759 -2.676 -7.132 210 3HG2 VAL 26 HG23 VAL 26 -13.323 -3.434 -7.819 211 H TYR 27 HN TYR 27 -11.250 -2.997 -8.534 212 HA TYR 27 HA TYR 27 -10.232 -3.892 -11.158 213 1HB TYR 27 HB2 TYR 27 -8.712 -3.243 -9.198 214 2HB TYR 27 HB1 TYR 27 -9.221 -4.744 -8.447 215 HD1 TYR 27 HD2 TYR 27 -8.557 -6.894 -9.375 216 HD2 TYR 27 HD1 TYR 27 -7.277 -3.235 -11.155 217 HE1 TYR 27 HE2 TYR 27 -6.859 -8.115 -10.661 218 HE2 TYR 27 HE1 TYR 27 -5.571 -4.459 -12.442 219 HH TYR 27 HH TYR 27 -4.907 -7.857 -11.858 220 H CYS 28 HN CYS 28 -11.353 -5.502 -12.036 221 HA CYS 28 HA CYS 28 -12.835 -7.404 -10.346 222 1HB CYS 28 HB2 CYS 28 -12.953 -6.924 -13.330 223 2HB CYS 28 HB1 CYS 28 -14.004 -7.998 -12.413 224 HG CYS 28 HG CYS 28 -14.035 -4.997 -11.664 225 H VAL 29 HN VAL 29 -12.476 -9.553 -10.347 226 HA VAL 29 HA VAL 29 -10.352 -10.708 -12.055 227 HB VAL 29 HB VAL 29 -10.613 -10.994 -9.049 228 1HG1 VAL 29 HG13 VAL 29 -9.187 -12.652 -11.065 229 2HG1 VAL 29 HG12 VAL 29 -8.354 -12.325 -9.546 230 3HG1 VAL 29 HG11 VAL 29 -9.928 -13.119 -9.537 231 1HG2 VAL 29 HG21 VAL 29 -8.526 -9.724 -10.809 232 2HG2 VAL 29 HG23 VAL 29 -9.478 -8.976 -9.525 233 3HG2 VAL 29 HG22 VAL 29 -8.227 -10.153 -9.123 234 H ILE 30 HN ILE 30 -11.316 -12.315 -13.167 235 HA ILE 30 HA ILE 30 -13.700 -13.652 -12.112 236 HB ILE 30 HB ILE 30 -12.269 -14.097 -14.744 237 1HG1 ILE 30 HG12 ILE 30 -14.638 -12.327 -14.096 238 2HG1 ILE 30 HG11 ILE 30 -13.030 -11.783 -14.552 239 1HG2 ILE 30 HG23 ILE 30 -14.837 -15.083 -13.565 240 2HG2 ILE 30 HG22 ILE 30 -14.725 -14.843 -15.308 241 3HG2 ILE 30 HG21 ILE 30 -13.620 -15.956 -14.501 242 1HD1 ILE 30 HD12 ILE 30 -14.835 -13.465 -16.304 243 2HD1 ILE 30 HD11 ILE 30 -14.639 -11.719 -16.442 244 3HD1 ILE 30 HD13 ILE 30 -13.270 -12.784 -16.754 245 H ASN 31 HN ASN 31 -13.697 -15.617 -11.187 246 HA ASN 31 HA ASN 31 -11.434 -17.451 -11.589 247 1HB ASN 31 HB2 ASN 31 -11.069 -15.962 -9.523 248 2HB ASN 31 HB1 ASN 31 -12.434 -16.809 -8.801 249 1HD2 ASN 31 HD22 ASN 31 -8.850 -18.733 -9.352 250 2HD2 ASN 31 HD21 ASN 31 -9.212 -17.249 -10.192 251 H ASN 32 HN ASN 32 -12.628 -18.978 -12.589 252 HA ASN 32 HA ASN 32 -14.048 -20.737 -12.868 253 1HB ASN 32 HB2 ASN 32 -13.210 -21.128 -10.441 254 2HB ASN 32 HB1 ASN 32 -14.812 -20.597 -9.950 255 1HD2 ASN 32 HD22 ASN 32 -14.639 -24.349 -10.458 256 2HD2 ASN 32 HD21 ASN 32 -13.635 -23.209 -9.610 257 H GLN 33 HN GLN 33 -16.420 -20.446 -10.568 258 HA GLN 33 HA GLN 33 -18.228 -19.098 -12.471 259 1HB GLN 33 HB2 GLN 33 -18.591 -21.477 -11.420 260 2HB GLN 33 HB1 GLN 33 -19.135 -20.574 -10.013 261 1HG GLN 33 HG2 GLN 33 -21.061 -21.118 -11.336 262 2HG GLN 33 HG1 GLN 33 -20.783 -19.387 -11.488 263 1HE2 GLN 33 HE22 GLN 33 -20.759 -19.600 -14.963 264 2HE2 GLN 33 HE21 GLN 33 -21.196 -18.747 -13.515 265 H GLU 34 HN GLU 34 -16.303 -17.809 -10.457 266 HA GLU 34 HA GLU 34 -18.258 -15.931 -9.292 267 1HB GLU 34 HB2 GLU 34 -15.997 -17.319 -7.849 268 2HB GLU 34 HB1 GLU 34 -16.705 -15.817 -7.264 269 1HG GLU 34 HG2 GLU 34 -18.735 -16.806 -6.732 270 2HG GLU 34 HG1 GLU 34 -18.514 -18.128 -7.878 271 H MET 35 HN MET 35 -17.259 -13.883 -8.675 272 HA MET 35 HA MET 35 -14.714 -13.257 -9.995 273 1HB MET 35 HB2 MET 35 -15.590 -11.287 -11.059 274 2HB MET 35 HB1 MET 35 -16.558 -12.662 -11.569 275 1HG MET 35 HG2 MET 35 -18.259 -12.050 -9.865 276 2HG MET 35 HG1 MET 35 -17.315 -10.622 -9.471 277 1HE MET 35 HE2 MET 35 -16.659 -8.847 -11.068 278 2HE MET 35 HE1 MET 35 -16.455 -9.543 -12.675 279 3HE MET 35 HE3 MET 35 -17.666 -8.285 -12.399 280 H GLY 36 HN GLY 36 -13.500 -11.802 -8.888 281 1HA GLY 36 HA2 GLY 36 -14.519 -10.918 -6.259 282 2HA GLY 36 HA1 GLY 36 -12.835 -11.194 -6.663 283 H PHE 37 HN PHE 37 -14.596 -8.820 -5.718 284 HA PHE 37 HA PHE 37 -13.738 -6.787 -7.699 285 1HB PHE 37 HB2 PHE 37 -15.808 -6.737 -5.494 286 2HB PHE 37 HB1 PHE 37 -15.269 -5.283 -6.329 287 HD1 PHE 37 HD1 PHE 37 -15.418 -5.334 -8.930 288 HD2 PHE 37 HD2 PHE 37 -17.601 -7.944 -6.350 289 HE1 PHE 37 HE1 PHE 37 -17.049 -5.752 -10.729 290 HE2 PHE 37 HE2 PHE 37 -19.228 -8.363 -8.156 291 HZ PHE 37 HZ PHE 37 -18.954 -7.268 -10.338 292 H TYR 38 HN TYR 38 -11.700 -6.241 -7.216 293 HA TYR 38 HA TYR 38 -10.986 -5.623 -4.399 294 1HB TYR 38 HB2 TYR 38 -9.218 -6.475 -6.706 295 2HB TYR 38 HB1 TYR 38 -8.658 -6.073 -5.087 296 HD1 TYR 38 HD1 TYR 38 -9.553 -7.475 -3.125 297 HD2 TYR 38 HD2 TYR 38 -9.899 -8.637 -7.214 298 HE1 TYR 38 HE1 TYR 38 -9.911 -9.810 -2.430 299 HE2 TYR 38 HE2 TYR 38 -10.264 -10.972 -6.526 300 HH TYR 38 HH TYR 38 -9.463 -12.208 -3.725 301 H LYS 39 HN LYS 39 -8.994 -4.062 -4.411 302 HA LYS 39 HA LYS 39 -9.894 -1.576 -5.596 303 1HB LYS 39 HB2 LYS 39 -8.805 -2.052 -3.232 304 2HB LYS 39 HB1 LYS 39 -7.299 -1.816 -4.118 305 1HG LYS 39 HG2 LYS 39 -7.877 0.406 -4.702 306 2HG LYS 39 HG1 LYS 39 -9.574 0.164 -4.291 307 1HD LYS 39 HD2 LYS 39 -8.881 -0.133 -1.900 308 2HD LYS 39 HD1 LYS 39 -7.244 0.307 -2.369 309 1HE LYS 39 HE2 LYS 39 -9.720 2.036 -2.571 310 2HE LYS 39 HE1 LYS 39 -8.356 2.267 -1.485 311 1HZ LYS 39 HZ3 LYS 39 -7.022 2.359 -3.692 312 2HZ LYS 39 HZ2 LYS 39 -8.535 2.751 -4.378 313 3HZ LYS 39 HZ1 LYS 39 -7.873 3.734 -3.150 314 H ASP 40 HN ASP 40 -7.146 -3.766 -5.971 315 HA ASP 40 HA ASP 40 -6.637 -2.936 -8.663 316 1HB ASP 40 HB2 ASP 40 -4.527 -1.901 -8.443 317 2HB ASP 40 HB1 ASP 40 -5.511 -1.127 -7.211 318 H ALA 41 HN ALA 41 -4.235 -3.924 -9.182 319 HA ALA 41 HA ALA 41 -4.536 -6.730 -9.096 320 1HB ALA 41 HB3 ALA 41 -2.101 -5.018 -9.652 321 2HB ALA 41 HB2 ALA 41 -2.163 -6.764 -9.913 322 3HB ALA 41 HB1 ALA 41 -3.222 -5.695 -10.835 323 H LYS 42 HN LYS 42 -2.701 -4.534 -6.998 324 HA LYS 42 HA LYS 42 -1.297 -6.559 -5.552 325 1HB LYS 42 HB2 LYS 42 -2.001 -3.744 -4.683 326 2HB LYS 42 HB1 LYS 42 -0.796 -4.788 -3.935 327 1HG LYS 42 HG2 LYS 42 0.321 -4.880 -6.237 328 2HG LYS 42 HG1 LYS 42 -0.729 -3.541 -6.679 329 1HD LYS 42 HD2 LYS 42 1.389 -3.599 -4.527 330 2HD LYS 42 HD1 LYS 42 1.360 -2.598 -5.975 331 1HE LYS 42 HE2 LYS 42 -0.559 -2.385 -3.633 332 2HE LYS 42 HE1 LYS 42 0.769 -1.287 -3.985 333 1HZ LYS 42 HZ3 LYS 42 -1.578 -1.753 -5.755 334 2HZ LYS 42 HZ2 LYS 42 -1.353 -0.412 -4.721 335 3HZ LYS 42 HZ1 LYS 42 -0.301 -0.653 -6.032 336 H SER 43 HN SER 43 -4.303 -4.737 -4.892 337 HA SER 43 HA SER 43 -4.895 -5.952 -2.399 338 1HB SER 43 HB2 SER 43 -6.872 -4.842 -4.398 339 2HB SER 43 HB1 SER 43 -7.100 -5.020 -2.659 340 HG SER 43 HG SER 43 -5.293 -3.276 -4.015 341 H ALA 44 HN ALA 44 -5.557 -6.921 -5.716 342 HA ALA 44 HA ALA 44 -7.381 -9.028 -5.110 343 1HB ALA 44 HB3 ALA 44 -5.750 -8.392 -7.573 344 2HB ALA 44 HB2 ALA 44 -6.913 -9.715 -7.487 345 3HB ALA 44 HB1 ALA 44 -7.457 -8.048 -7.295 346 H ALA 45 HN ALA 45 -3.923 -8.911 -5.907 347 HA ALA 45 HA ALA 45 -3.432 -11.703 -5.791 348 1HB ALA 45 HB2 ALA 45 -1.602 -9.318 -5.497 349 2HB ALA 45 HB1 ALA 45 -1.030 -10.985 -5.545 350 3HB ALA 45 HB3 ALA 45 -1.869 -10.301 -6.936 351 H SER 46 HN SER 46 -2.862 -9.124 -3.389 352 HA SER 46 HA SER 46 -1.944 -10.867 -1.320 353 1HB SER 46 HB2 SER 46 -3.142 -8.103 -1.020 354 2HB SER 46 HB1 SER 46 -2.084 -8.932 0.120 355 HG SER 46 HG SER 46 -0.772 -8.975 -2.142 356 H GLY 47 HN GLY 47 -5.122 -9.609 -2.209 357 1HA GLY 47 HA2 GLY 47 -7.186 -10.629 -1.774 358 2HA GLY 47 HA1 GLY 47 -6.433 -11.613 -0.524 359 H ILE 48 HN ILE 48 -6.912 -8.145 -1.186 360 HA ILE 48 HA ILE 48 -7.601 -7.683 1.650 361 HB ILE 48 HB ILE 48 -6.869 -5.667 -0.483 362 1HG1 ILE 48 HG12 ILE 48 -5.151 -6.869 1.702 363 2HG1 ILE 48 HG11 ILE 48 -4.987 -7.181 -0.024 364 1HG2 ILE 48 HG22 ILE 48 -8.208 -4.743 1.371 365 2HG2 ILE 48 HG21 ILE 48 -7.036 -5.383 2.526 366 3HG2 ILE 48 HG23 ILE 48 -6.554 -4.123 1.387 367 1HD1 ILE 48 HD11 ILE 48 -4.718 -4.610 -0.241 368 2HD1 ILE 48 HD13 ILE 48 -4.400 -4.653 1.495 369 3HD1 ILE 48 HD12 ILE 48 -3.362 -5.549 0.382 370 HA PRO 49 HA PRO 49 -11.812 -7.341 0.191 371 1HB PRO 49 HB2 PRO 49 -12.966 -6.596 2.538 372 2HB PRO 49 HB1 PRO 49 -12.469 -8.253 2.166 373 1HG PRO 49 HG2 PRO 49 -11.105 -6.198 3.839 374 2HG PRO 49 HG1 PRO 49 -11.238 -7.945 4.087 375 1HD PRO 49 HD2 PRO 49 -9.005 -6.698 3.088 376 2HD PRO 49 HD1 PRO 49 -9.426 -8.390 2.760 377 H TYR 50 HN TYR 50 -11.888 -5.640 -1.204 378 HA TYR 50 HA TYR 50 -11.638 -2.872 -0.378 379 1HB TYR 50 HB2 TYR 50 -10.838 -3.375 -2.557 380 2HB TYR 50 HB1 TYR 50 -12.300 -4.248 -2.983 381 HD1 TYR 50 HD1 TYR 50 -10.940 -0.872 -2.282 382 HD2 TYR 50 HD2 TYR 50 -14.146 -3.137 -3.962 383 HE1 TYR 50 HE1 TYR 50 -11.856 1.175 -3.299 384 HE2 TYR 50 HE2 TYR 50 -15.062 -1.082 -4.972 385 HH TYR 50 HH TYR 50 -14.339 1.109 -5.657 386 H HIS 51 HN HIS 51 -14.193 -5.169 -0.928 387 HA HIS 51 HA HIS 51 -16.244 -3.152 -0.210 388 1HB HIS 51 HB2 HIS 51 -16.042 -4.764 -2.591 389 2HB HIS 51 HB1 HIS 51 -17.431 -5.315 -1.668 390 HD1 HIS 51 HD1 HIS 51 -19.455 -4.233 -2.504 391 HD2 HIS 51 HD2 HIS 51 -16.242 -1.625 -2.599 392 HE1 HIS 51 HE1 HIS 51 -20.383 -2.092 -3.410 393 H SER 52 HN SER 52 -18.235 -4.253 0.675 394 HA SER 52 HA SER 52 -17.547 -5.908 2.910 395 1HB SER 52 HB2 SER 52 -20.362 -5.489 1.905 396 2HB SER 52 HB1 SER 52 -19.796 -5.691 3.564 397 HG SER 52 HG SER 52 -19.394 -3.434 1.859 398 H GLU 53 HN GLU 53 -19.039 -6.445 -0.221 399 HA GLU 53 HA GLU 53 -18.953 -9.384 0.161 400 1HB GLU 53 HB2 GLU 53 -20.480 -8.722 -2.158 401 2HB GLU 53 HB1 GLU 53 -21.037 -9.473 -0.675 402 1HG GLU 53 HG2 GLU 53 -22.424 -7.585 -0.984 403 2HG GLU 53 HG1 GLU 53 -21.294 -7.115 0.277 404 H VAL 54 HN VAL 54 -16.895 -9.790 -0.530 405 HA VAL 54 HA VAL 54 -15.797 -8.438 -2.858 406 HB VAL 54 HB VAL 54 -14.472 -10.709 -1.387 407 1HG1 VAL 54 HG12 VAL 54 -13.426 -8.319 -2.900 408 2HG1 VAL 54 HG11 VAL 54 -12.425 -9.485 -2.035 409 3HG1 VAL 54 HG13 VAL 54 -13.377 -10.001 -3.428 410 1HG2 VAL 54 HG22 VAL 54 -14.654 -7.806 -0.586 411 2HG2 VAL 54 HG21 VAL 54 -15.131 -9.216 0.362 412 3HG2 VAL 54 HG23 VAL 54 -13.428 -8.919 0.028 413 HA PRO 55 HA PRO 55 -16.106 -12.681 -4.915 414 1HB PRO 55 HB2 PRO 55 -17.043 -14.855 -3.593 415 2HB PRO 55 HB1 PRO 55 -15.368 -14.297 -3.499 416 1HG PRO 55 HG2 PRO 55 -17.469 -14.206 -1.466 417 2HG PRO 55 HG1 PRO 55 -15.720 -14.033 -1.277 418 1HD PRO 55 HD2 PRO 55 -17.747 -11.960 -1.386 419 2HD PRO 55 HD1 PRO 55 -16.022 -11.808 -1.025 420 H VAL 56 HN VAL 56 -17.679 -12.100 -6.323 421 HA VAL 56 HA VAL 56 -20.524 -12.513 -5.602 422 HB VAL 56 HB VAL 56 -19.270 -10.944 -7.863 423 1HG1 VAL 56 HG12 VAL 56 -22.105 -11.640 -7.218 424 2HG1 VAL 56 HG11 VAL 56 -21.750 -10.057 -7.914 425 3HG1 VAL 56 HG13 VAL 56 -21.302 -11.525 -8.786 426 1HG2 VAL 56 HG22 VAL 56 -20.364 -10.210 -5.173 427 2HG2 VAL 56 HG21 VAL 56 -18.902 -9.641 -5.980 428 3HG2 VAL 56 HG23 VAL 56 -20.483 -9.060 -6.503 429 H SER 57 HN SER 57 -21.665 -14.091 -6.545 430 HA SER 57 HA SER 57 -20.337 -16.064 -8.140 431 1HB SER 57 HB2 SER 57 -23.224 -16.286 -7.701 432 2HB SER 57 HB1 SER 57 -21.941 -17.434 -7.379 433 HG SER 57 HG SER 57 -21.917 -16.819 -5.369 434 H LEU 58 HN LEU 58 -20.459 -16.368 -10.282 435 HA LEU 58 HA LEU 58 -22.116 -14.605 -11.945 436 1HB LEU 58 HB2 LEU 58 -19.922 -16.603 -12.547 437 2HB LEU 58 HB1 LEU 58 -20.918 -15.910 -13.823 438 HG LEU 58 HG LEU 58 -19.303 -14.289 -11.865 439 1HD1 LEU 58 HD21 LEU 58 -18.069 -15.802 -13.616 440 2HD1 LEU 58 HD23 LEU 58 -18.597 -14.572 -14.767 441 3HD1 LEU 58 HD22 LEU 58 -17.572 -14.122 -13.398 442 1HD2 LEU 58 HD11 LEU 58 -21.052 -13.619 -14.194 443 2HD2 LEU 58 HD13 LEU 58 -20.971 -12.861 -12.607 444 3HD2 LEU 58 HD12 LEU 58 -19.694 -12.568 -13.787 445 H LYS 59 HN LYS 59 -23.849 -15.845 -10.643 446 HA LYS 59 HA LYS 59 -24.575 -18.494 -11.583 447 1HB LYS 59 HB2 LYS 59 -24.933 -17.662 -9.244 448 2HB LYS 59 HB1 LYS 59 -26.159 -16.567 -9.864 449 1HG LYS 59 HG2 LYS 59 -27.577 -18.267 -9.394 450 2HG LYS 59 HG1 LYS 59 -27.004 -18.942 -10.915 451 1HD LYS 59 HD2 LYS 59 -25.167 -20.073 -9.542 452 2HD LYS 59 HD1 LYS 59 -26.093 -19.620 -8.115 453 1HE LYS 59 HE2 LYS 59 -27.065 -21.342 -10.414 454 2HE LYS 59 HE1 LYS 59 -26.619 -21.913 -8.809 455 1HZ LYS 59 HZ1 LYS 59 -28.406 -20.251 -8.020 456 2HZ LYS 59 HZ3 LYS 59 -28.973 -20.343 -9.629 457 3HZ LYS 59 HZ2 LYS 59 -28.893 -21.752 -8.674 458 H GLU 60 HN GLU 60 -25.046 -18.386 -13.743 459 HA GLU 60 HA GLU 60 -26.182 -17.956 -15.680 460 1HB GLU 60 HB2 GLU 60 -28.495 -17.381 -13.797 461 2HB GLU 60 HB1 GLU 60 -28.614 -17.807 -15.504 462 1HG GLU 60 HG2 GLU 60 -27.412 -19.967 -14.942 463 2HG GLU 60 HG1 GLU 60 -27.612 -19.552 -13.241 464 H ALA 61 HN ALA 61 -24.585 -15.968 -15.224 465 HA ALA 61 HA ALA 61 -25.826 -13.394 -14.909 466 1HB ALA 61 HB2 ALA 61 -23.466 -13.910 -14.278 467 2HB ALA 61 HB1 ALA 61 -23.070 -14.035 -15.996 468 3HB ALA 61 HB3 ALA 61 -23.626 -12.497 -15.322 469 H ILE 62 HN ILE 62 -26.692 -12.116 -16.380 470 HA ILE 62 HA ILE 62 -26.588 -12.854 -19.234 471 HB ILE 62 HB ILE 62 -28.376 -10.866 -17.807 472 1HG1 ILE 62 HG12 ILE 62 -28.758 -13.244 -17.103 473 2HG1 ILE 62 HG11 ILE 62 -30.141 -12.496 -17.890 474 1HG2 ILE 62 HG21 ILE 62 -27.987 -11.596 -20.635 475 2HG2 ILE 62 HG23 ILE 62 -29.671 -11.516 -20.106 476 3HG2 ILE 62 HG22 ILE 62 -28.621 -10.111 -19.917 477 1HD1 ILE 62 HD12 ILE 62 -28.502 -13.734 -19.888 478 2HD1 ILE 62 HD11 ILE 62 -28.813 -14.896 -18.602 479 3HD1 ILE 62 HD13 ILE 62 -30.161 -14.119 -19.429 480 H CYS 63 HN CYS 63 -25.543 -11.567 -20.663 481 HA CYS 63 HA CYS 63 -24.544 -8.941 -19.730 482 1HB CYS 63 HB2 CYS 63 -22.920 -11.087 -19.926 483 2HB CYS 63 HB1 CYS 63 -22.817 -10.494 -21.573 484 HG CYS 63 HG CYS 63 -22.332 -8.159 -19.840 485 H GLU 64 HN GLU 64 -24.917 -7.308 -21.081 486 HA GLU 64 HA GLU 64 -25.594 -7.874 -23.915 487 1HB GLU 64 HB2 GLU 64 -26.956 -5.822 -22.155 488 2HB GLU 64 HB1 GLU 64 -27.346 -6.201 -23.827 489 1HG GLU 64 HG2 GLU 64 -28.209 -8.343 -23.247 490 2HG GLU 64 HG1 GLU 64 -27.541 -8.259 -21.620 491 H VAL 65 HN VAL 65 -25.086 -6.171 -25.369 492 HA VAL 65 HA VAL 65 -22.774 -4.582 -24.511 493 HB VAL 65 HB VAL 65 -23.946 -4.671 -27.291 494 1HG1 VAL 65 HG11 VAL 65 -22.169 -3.041 -26.869 495 2HG1 VAL 65 HG13 VAL 65 -21.126 -4.323 -26.250 496 3HG1 VAL 65 HG12 VAL 65 -21.601 -4.320 -27.949 497 1HG2 VAL 65 HG21 VAL 65 -22.372 -6.787 -25.858 498 2HG2 VAL 65 HG23 VAL 65 -23.757 -6.962 -26.933 499 3HG2 VAL 65 HG22 VAL 65 -22.173 -6.558 -27.597 500 H ALA 66 HN ALA 66 -22.718 -2.412 -24.367 501 HA ALA 66 HA ALA 66 -24.921 -0.719 -25.309 502 1HB ALA 66 HB3 ALA 66 -23.964 -0.793 -22.424 503 2HB ALA 66 HB2 ALA 66 -25.055 0.420 -23.102 504 3HB ALA 66 HB1 ALA 66 -25.566 -1.267 -22.996 505 H LEU 67 HN LEU 67 -22.730 -0.808 -26.643 506 HA LEU 67 HA LEU 67 -20.347 0.287 -25.953 507 1HB LEU 67 HB2 LEU 67 -21.679 -0.287 -28.360 508 2HB LEU 67 HB1 LEU 67 -21.127 1.371 -28.527 509 HG LEU 67 HG LEU 67 -18.862 0.524 -27.707 510 1HD1 LEU 67 HD12 LEU 67 -19.648 -1.624 -26.829 511 2HD1 LEU 67 HD11 LEU 67 -20.107 -2.118 -28.455 512 3HD1 LEU 67 HD13 LEU 67 -18.407 -1.853 -28.062 513 1HD2 LEU 67 HD21 LEU 67 -19.340 1.154 -30.041 514 2HD2 LEU 67 HD23 LEU 67 -18.202 -0.190 -29.943 515 3HD2 LEU 67 HD22 LEU 67 -19.890 -0.490 -30.361 516 H ASP 68 HN ASP 68 -22.918 2.272 -27.392 517 HA ASP 68 HA ASP 68 -21.677 4.718 -26.351 518 1HB ASP 68 HB2 ASP 68 -22.596 4.335 -28.763 519 2HB ASP 68 HB1 ASP 68 -24.170 4.648 -28.040 520 H TYR 69 HN TYR 69 -22.353 3.697 -24.131 521 HA TYR 69 HA TYR 69 -25.129 4.135 -23.399 522 1HB TYR 69 HB2 TYR 69 -23.931 2.303 -22.326 523 2HB TYR 69 HB1 TYR 69 -22.734 3.431 -21.695 524 HD1 TYR 69 HD1 TYR 69 -26.438 2.883 -21.671 525 HD2 TYR 69 HD2 TYR 69 -22.977 4.169 -19.529 526 HE1 TYR 69 HE1 TYR 69 -27.804 3.197 -19.649 527 HE2 TYR 69 HE2 TYR 69 -24.347 4.479 -17.506 528 HH TYR 69 HH TYR 69 -26.439 4.581 -16.692 529 H LYS 70 HN LYS 70 -22.275 5.908 -23.558 530 HA LYS 70 HA LYS 70 -23.549 8.258 -22.306 531 1HB LYS 70 HB2 LYS 70 -20.687 7.363 -21.849 532 2HB LYS 70 HB1 LYS 70 -21.368 8.897 -21.318 533 1HG LYS 70 HG2 LYS 70 -23.157 7.308 -20.176 534 2HG LYS 70 HG1 LYS 70 -21.845 6.140 -20.275 535 1HD LYS 70 HD2 LYS 70 -21.388 7.055 -18.216 536 2HD LYS 70 HD1 LYS 70 -20.443 8.136 -19.235 537 1HE LYS 70 HE2 LYS 70 -22.453 9.676 -19.285 538 2HE LYS 70 HE1 LYS 70 -23.190 8.643 -18.068 539 1HZ LYS 70 HZ3 LYS 70 -20.636 9.251 -17.161 540 2HZ LYS 70 HZ2 LYS 70 -21.317 10.714 -17.727 541 3HZ LYS 70 HZ1 LYS 70 -22.124 9.789 -16.539 542 H LYS 71 HN LYS 71 -20.268 7.937 -23.544 543 HA LYS 71 HA LYS 71 -20.918 9.033 -26.145 544 1HB LYS 71 HB2 LYS 71 -19.345 10.625 -24.114 545 2HB LYS 71 HB1 LYS 71 -19.281 10.933 -25.845 546 1HG LYS 71 HG2 LYS 71 -21.881 11.075 -25.659 547 2HG LYS 71 HG1 LYS 71 -21.568 11.330 -23.946 548 1HD LYS 71 HD2 LYS 71 -19.845 12.998 -25.588 549 2HD LYS 71 HD1 LYS 71 -21.543 13.261 -25.968 550 1HE LYS 71 HE2 LYS 71 -20.925 14.798 -24.231 551 2HE LYS 71 HE1 LYS 71 -21.973 13.575 -23.523 552 1HZ LYS 71 HZ1 LYS 71 -19.018 13.392 -23.407 553 2HZ LYS 71 HZ3 LYS 71 -19.944 14.170 -22.205 554 3HZ LYS 71 HZ2 LYS 71 -20.163 12.506 -22.504 555 H LYS 72 HN LYS 72 -18.111 8.970 -24.038 556 HA LYS 72 HA LYS 72 -16.593 7.456 -26.078 557 1HB LYS 72 HB2 LYS 72 -15.658 9.121 -23.729 558 2HB LYS 72 HB1 LYS 72 -14.594 8.134 -24.723 559 1HG LYS 72 HG2 LYS 72 -15.312 9.400 -26.726 560 2HG LYS 72 HG1 LYS 72 -16.300 10.435 -25.700 561 1HD LYS 72 HD2 LYS 72 -14.402 11.363 -24.623 562 2HD LYS 72 HD1 LYS 72 -13.338 10.105 -25.243 563 1HE LYS 72 HE2 LYS 72 -14.764 12.059 -27.060 564 2HE LYS 72 HE1 LYS 72 -13.175 12.390 -26.377 565 1HZ LYS 72 HZ1 LYS 72 -13.859 10.054 -28.086 566 2HZ LYS 72 HZ3 LYS 72 -13.029 11.451 -28.598 567 3HZ LYS 72 HZ2 LYS 72 -12.323 10.406 -27.447 568 H LYS 73 HN LYS 73 -15.273 5.708 -25.427 569 HA LYS 73 HA LYS 73 -14.685 3.809 -24.326 570 1HB LYS 73 HB2 LYS 73 -16.171 4.901 -21.929 571 2HB LYS 73 HB1 LYS 73 -15.151 3.474 -21.951 572 1HG LYS 73 HG2 LYS 73 -14.100 6.173 -22.784 573 2HG LYS 73 HG1 LYS 73 -14.100 5.647 -21.102 574 1HD LYS 73 HD2 LYS 73 -12.750 3.683 -21.714 575 2HD LYS 73 HD1 LYS 73 -12.772 4.182 -23.400 576 1HE LYS 73 HE2 LYS 73 -10.660 4.800 -22.328 577 2HE LYS 73 HE1 LYS 73 -11.557 6.230 -22.825 578 1HZ LYS 73 HZ1 LYS 73 -11.544 5.113 -20.076 579 2HZ LYS 73 HZ3 LYS 73 -10.584 6.423 -20.598 580 3HZ LYS 73 HZ2 LYS 73 -12.280 6.570 -20.584 581 H HIS 74 HN HIS 74 -15.464 1.827 -24.487 582 HA HIS 74 HA HIS 74 -18.244 1.486 -25.248 583 1HB HIS 74 HB2 HIS 74 -15.996 -0.538 -25.046 584 2HB HIS 74 HB1 HIS 74 -17.560 -0.803 -25.804 585 HD1 HIS 74 HD1 HIS 74 -16.515 2.515 -26.647 586 HD2 HIS 74 HD2 HIS 74 -15.648 -1.261 -28.085 587 HE1 HIS 74 HE1 HIS 74 -15.526 2.903 -28.908 588 H VAL 75 HN VAL 75 -19.782 1.165 -23.794 589 HA VAL 75 HA VAL 75 -19.126 -0.063 -21.187 590 HB VAL 75 HB VAL 75 -21.457 1.591 -22.163 591 1HG1 VAL 75 HG13 VAL 75 -21.165 0.097 -19.563 592 2HG1 VAL 75 HG12 VAL 75 -22.190 1.523 -19.720 593 3HG1 VAL 75 HG11 VAL 75 -22.524 0.085 -20.689 594 1HG2 VAL 75 HG21 VAL 75 -19.227 2.644 -21.523 595 2HG2 VAL 75 HG23 VAL 75 -20.673 3.280 -20.735 596 3HG2 VAL 75 HG22 VAL 75 -19.615 2.169 -19.867 597 H PHE 76 HN PHE 76 -20.559 -1.705 -20.310 598 HA PHE 76 HA PHE 76 -22.329 -3.084 -22.177 599 1HB PHE 76 HB2 PHE 76 -21.334 -5.249 -21.931 600 2HB PHE 76 HB1 PHE 76 -20.122 -4.143 -22.545 601 HD1 PHE 76 HD1 PHE 76 -18.219 -3.478 -21.165 602 HD2 PHE 76 HD2 PHE 76 -21.123 -6.266 -19.755 603 HE1 PHE 76 HE1 PHE 76 -16.655 -4.213 -19.407 604 HE2 PHE 76 HE2 PHE 76 -19.567 -7.000 -17.977 605 HZ PHE 76 HZ PHE 76 -17.322 -5.967 -17.810 606 H LYS 77 HN LYS 77 -23.894 -4.309 -21.185 607 HA LYS 77 HA LYS 77 -24.397 -3.636 -18.373 608 1HB LYS 77 HB2 LYS 77 -26.194 -3.188 -19.910 609 2HB LYS 77 HB1 LYS 77 -26.113 -4.815 -20.565 610 1HG LYS 77 HG2 LYS 77 -27.659 -5.477 -19.091 611 2HG LYS 77 HG1 LYS 77 -26.541 -5.126 -17.786 612 1HD LYS 77 HD2 LYS 77 -28.630 -3.966 -17.400 613 2HD LYS 77 HD1 LYS 77 -27.329 -2.816 -17.677 614 1HE LYS 77 HE2 LYS 77 -29.642 -2.453 -18.838 615 2HE LYS 77 HE1 LYS 77 -28.166 -2.151 -19.742 616 1HZ LYS 77 HZ3 LYS 77 -29.020 -4.871 -19.971 617 2HZ LYS 77 HZ2 LYS 77 -30.230 -3.791 -20.484 618 3HZ LYS 77 HZ1 LYS 77 -28.682 -3.737 -21.191 619 H LEU 78 HN LEU 78 -24.292 -5.075 -16.765 620 HA LEU 78 HA LEU 78 -24.035 -7.957 -17.385 621 1HB LEU 78 HB2 LEU 78 -21.817 -6.972 -16.841 622 2HB LEU 78 HB1 LEU 78 -22.455 -6.432 -15.299 623 HG LEU 78 HG LEU 78 -22.645 -8.592 -14.496 624 1HD1 LEU 78 HD12 LEU 78 -22.505 -9.507 -17.350 625 2HD1 LEU 78 HD11 LEU 78 -22.239 -10.615 -16.005 626 3HD1 LEU 78 HD13 LEU 78 -23.782 -9.783 -16.163 627 1HD2 LEU 78 HD23 LEU 78 -20.161 -7.944 -15.855 628 2HD2 LEU 78 HD22 LEU 78 -20.437 -8.532 -14.214 629 3HD2 LEU 78 HD21 LEU 78 -20.360 -9.671 -15.556 630 H ARG 79 HN ARG 79 -25.907 -8.705 -16.709 631 HA ARG 79 HA ARG 79 -27.065 -7.774 -14.151 632 1HB ARG 79 HB2 ARG 79 -28.508 -7.351 -16.031 633 2HB ARG 79 HB1 ARG 79 -28.321 -9.000 -16.614 634 1HG ARG 79 HG2 ARG 79 -29.309 -8.919 -13.868 635 2HG ARG 79 HG1 ARG 79 -30.356 -8.041 -14.978 636 1HD ARG 79 HD2 ARG 79 -30.117 -10.162 -16.487 637 2HD ARG 79 HD1 ARG 79 -29.607 -10.955 -14.997 638 HE ARG 79 HE ARG 79 -31.919 -9.712 -14.256 639 1HH1 ARG 79 HH21 ARG 79 -33.076 -9.725 -16.924 640 2HH1 ARG 79 HH22 ARG 79 -33.771 -11.323 -17.096 641 1HH2 ARG 79 HH11 ARG 79 -31.847 -12.706 -14.479 642 2HH2 ARG 79 HH12 ARG 79 -33.068 -13.039 -15.670 643 H LEU 80 HN LEU 80 -26.796 -9.104 -12.509 644 HA LEU 80 HA LEU 80 -26.227 -11.954 -12.927 645 1HB LEU 80 HB2 LEU 80 -26.354 -10.485 -10.288 646 2HB LEU 80 HB1 LEU 80 -25.565 -12.016 -10.641 647 HG LEU 80 HG LEU 80 -24.733 -9.295 -11.655 648 1HD1 LEU 80 HD11 LEU 80 -23.650 -11.139 -9.546 649 2HD1 LEU 80 HD13 LEU 80 -22.618 -9.950 -10.346 650 3HD1 LEU 80 HD12 LEU 80 -24.029 -9.417 -9.431 651 1HD2 LEU 80 HD22 LEU 80 -23.637 -12.047 -12.238 652 2HD2 LEU 80 HD21 LEU 80 -24.215 -10.837 -13.388 653 3HD2 LEU 80 HD23 LEU 80 -22.719 -10.564 -12.499 654 H SER 81 HN SER 81 -27.773 -13.452 -12.741 655 HA SER 81 HA SER 81 -30.498 -12.735 -12.209 656 1HB SER 81 HB2 SER 81 -29.259 -15.466 -12.577 657 2HB SER 81 HB1 SER 81 -30.983 -15.096 -12.623 658 HG SER 81 HG SER 81 -29.032 -14.687 -14.546 659 H ASP 82 HN ASP 82 -28.072 -13.214 -10.014 660 HA ASP 82 HA ASP 82 -29.592 -14.745 -8.060 661 1HB ASP 82 HB2 ASP 82 -27.687 -14.766 -6.720 662 2HB ASP 82 HB1 ASP 82 -27.008 -14.753 -8.340 663 H GLY 83 HN GLY 83 -29.255 -11.485 -9.024 664 1HA GLY 83 HA2 GLY 83 -31.173 -10.081 -8.188 665 2HA GLY 83 HA1 GLY 83 -30.583 -10.469 -6.575 666 H ASN 84 HN ASN 84 -29.165 -9.303 -9.688 667 HA ASN 84 HA ASN 84 -28.267 -6.848 -8.456 668 1HB ASN 84 HB2 ASN 84 -26.575 -9.022 -8.110 669 2HB ASN 84 HB1 ASN 84 -25.911 -8.235 -9.536 670 1HD2 ASN 84 HD22 ASN 84 -24.697 -6.814 -6.185 671 2HD2 ASN 84 HD21 ASN 84 -25.069 -8.453 -6.628 672 H GLU 85 HN GLU 85 -27.527 -5.331 -9.925 673 HA GLU 85 HA GLU 85 -27.347 -6.022 -12.782 674 1HB GLU 85 HB2 GLU 85 -29.301 -4.063 -11.572 675 2HB GLU 85 HB1 GLU 85 -28.787 -3.953 -13.255 676 1HG GLU 85 HG2 GLU 85 -29.617 -6.222 -13.673 677 2HG GLU 85 HG1 GLU 85 -30.098 -6.370 -11.986 678 H TYR 86 HN TYR 86 -25.367 -5.315 -13.281 679 HA TYR 86 HA TYR 86 -24.435 -2.679 -12.251 680 1HB TYR 86 HB2 TYR 86 -22.822 -5.146 -12.946 681 2HB TYR 86 HB1 TYR 86 -22.135 -3.587 -12.529 682 HD1 TYR 86 HD1 TYR 86 -23.030 -2.616 -10.204 683 HD2 TYR 86 HD2 TYR 86 -22.894 -6.749 -11.278 684 HE1 TYR 86 HE1 TYR 86 -23.086 -3.235 -7.826 685 HE2 TYR 86 HE2 TYR 86 -22.944 -7.363 -8.894 686 HH TYR 86 HH TYR 86 -22.625 -6.551 -6.761 687 H LEU 87 HN LEU 87 -23.181 -1.414 -13.638 688 HA LEU 87 HA LEU 87 -23.275 -2.036 -16.546 689 1HB LEU 87 HB2 LEU 87 -23.167 0.680 -15.189 690 2HB LEU 87 HB1 LEU 87 -23.105 0.406 -16.921 691 HG LEU 87 HG LEU 87 -25.411 0.082 -15.048 692 1HD1 LEU 87 HD12 LEU 87 -24.934 2.242 -16.240 693 2HD1 LEU 87 HD11 LEU 87 -25.246 1.390 -17.757 694 3HD1 LEU 87 HD13 LEU 87 -26.529 1.557 -16.555 695 1HD2 LEU 87 HD23 LEU 87 -25.038 -1.236 -17.727 696 2HD2 LEU 87 HD22 LEU 87 -25.584 -1.957 -16.208 697 3HD2 LEU 87 HD21 LEU 87 -26.638 -0.851 -17.087 698 H PHE 88 HN PHE 88 -21.262 -2.279 -17.443 699 HA PHE 88 HA PHE 88 -18.936 -1.425 -15.826 700 1HB PHE 88 HB2 PHE 88 -19.425 -3.901 -17.431 701 2HB PHE 88 HB1 PHE 88 -17.788 -3.368 -17.064 702 HD1 PHE 88 HD1 PHE 88 -17.260 -2.904 -14.548 703 HD2 PHE 88 HD2 PHE 88 -20.563 -5.239 -15.915 704 HE1 PHE 88 HE1 PHE 88 -17.405 -4.003 -12.346 705 HE2 PHE 88 HE2 PHE 88 -20.708 -6.323 -13.716 706 HZ PHE 88 HZ PHE 88 -19.112 -5.660 -11.906 707 H GLN 89 HN GLN 89 -17.440 -0.185 -16.737 708 HA GLN 89 HA GLN 89 -17.643 0.452 -19.627 709 1HB GLN 89 HB2 GLN 89 -17.827 2.284 -17.753 710 2HB GLN 89 HB1 GLN 89 -16.083 2.085 -17.658 711 1HG GLN 89 HG2 GLN 89 -16.000 2.482 -20.158 712 2HG GLN 89 HG1 GLN 89 -17.682 2.985 -20.041 713 1HE2 GLN 89 HE22 GLN 89 -14.905 5.259 -18.023 714 2HE2 GLN 89 HE21 GLN 89 -14.749 3.535 -18.092 715 H ALA 90 HN ALA 90 -16.119 -0.338 -20.876 716 HA ALA 90 HA ALA 90 -13.621 -1.407 -19.739 717 1HB ALA 90 HB1 ALA 90 -15.066 -2.755 -21.338 718 2HB ALA 90 HB3 ALA 90 -14.600 -1.608 -22.596 719 3HB ALA 90 HB2 ALA 90 -13.373 -2.595 -21.801 720 H LYS 91 HN LYS 91 -11.583 -0.922 -20.898 721 HA LYS 91 HA LYS 91 -11.456 1.936 -21.582 722 1HB LYS 91 HB2 LYS 91 -9.037 1.696 -21.363 723 2HB LYS 91 HB1 LYS 91 -9.872 1.097 -19.942 724 1HG LYS 91 HG2 LYS 91 -9.692 -1.195 -21.377 725 2HG LYS 91 HG1 LYS 91 -8.275 -0.363 -21.976 726 1HD LYS 91 HD2 LYS 91 -7.971 -1.931 -19.987 727 2HD LYS 91 HD1 LYS 91 -7.243 -0.336 -19.881 728 1HE LYS 91 HE2 LYS 91 -8.375 -1.119 -17.787 729 2HE LYS 91 HE1 LYS 91 -8.935 0.431 -18.379 730 1HZ LYS 91 HZ2 LYS 91 -10.515 -1.637 -19.481 731 2HZ LYS 91 HZ1 LYS 91 -10.439 -1.818 -17.789 732 3HZ LYS 91 HZ3 LYS 91 -10.984 -0.356 -18.456 733 H ASP 92 HN ASP 92 -11.076 -1.208 -23.048 734 HA ASP 92 HA ASP 92 -10.765 0.059 -25.712 735 1HB ASP 92 HB2 ASP 92 -8.579 -0.892 -24.799 736 2HB ASP 92 HB1 ASP 92 -9.329 -2.482 -24.906 737 H ASP 93 HN ASP 93 -11.536 -1.205 -27.470 738 HA ASP 93 HA ASP 93 -14.018 -2.508 -27.088 739 1HB ASP 93 HB2 ASP 93 -13.477 -1.379 -29.176 740 2HB ASP 93 HB1 ASP 93 -12.130 -2.470 -29.467 741 H GLU 94 HN GLU 94 -10.754 -3.751 -27.703 742 HA GLU 94 HA GLU 94 -11.379 -6.509 -27.914 743 1HB GLU 94 HB2 GLU 94 -8.844 -5.167 -26.938 744 2HB GLU 94 HB1 GLU 94 -8.991 -6.859 -27.408 745 1HG GLU 94 HG2 GLU 94 -9.927 -5.828 -29.654 746 2HG GLU 94 HG1 GLU 94 -9.053 -4.394 -29.119 747 H GLU 95 HN GLU 95 -10.722 -4.423 -25.164 748 HA GLU 95 HA GLU 95 -10.541 -6.433 -23.157 749 1HB GLU 95 HB2 GLU 95 -9.908 -3.887 -23.098 750 2HB GLU 95 HB1 GLU 95 -11.582 -3.674 -22.608 751 1HG GLU 95 HG2 GLU 95 -10.859 -5.688 -20.948 752 2HG GLU 95 HG1 GLU 95 -9.297 -4.898 -21.148 753 H MET 96 HN MET 96 -13.188 -4.290 -24.183 754 HA MET 96 HA MET 96 -15.236 -5.204 -22.508 755 1HB MET 96 HB2 MET 96 -15.178 -3.185 -24.105 756 2HB MET 96 HB1 MET 96 -15.680 -4.311 -25.357 757 1HG MET 96 HG2 MET 96 -17.469 -4.896 -23.383 758 2HG MET 96 HG1 MET 96 -17.198 -3.185 -23.089 759 1HE MET 96 HE3 MET 96 -17.755 -5.816 -25.744 760 2HE MET 96 HE2 MET 96 -18.936 -5.125 -26.853 761 3HE MET 96 HE1 MET 96 -17.236 -4.689 -27.004 762 H ASN 97 HN ASN 97 -14.272 -6.310 -25.740 763 HA ASN 97 HA ASN 97 -16.259 -8.272 -26.126 764 1HB ASN 97 HB2 ASN 97 -14.786 -7.368 -27.913 765 2HB ASN 97 HB1 ASN 97 -13.425 -8.236 -27.210 766 1HD2 ASN 97 HD22 ASN 97 -16.413 -10.413 -29.018 767 2HD2 ASN 97 HD21 ASN 97 -16.788 -8.930 -28.195 768 H THR 98 HN THR 98 -12.982 -8.534 -24.732 769 HA THR 98 HA THR 98 -13.081 -11.340 -24.245 770 HB THR 98 HB THR 98 -11.378 -9.339 -22.759 771 HG1 THR 98 HG1 THR 98 -11.008 -8.897 -24.897 772 1HG2 THR 98 HG21 THR 98 -11.439 -11.782 -22.039 773 2HG2 THR 98 HG23 THR 98 -10.701 -12.159 -23.598 774 3HG2 THR 98 HG22 THR 98 -9.850 -11.128 -22.440 775 H TRP 99 HN TRP 99 -13.901 -8.512 -22.245 776 HA TRP 99 HA TRP 99 -14.303 -9.861 -19.789 777 1HB TRP 99 HB2 TRP 99 -15.273 -7.258 -20.936 778 2HB TRP 99 HB1 TRP 99 -15.999 -7.856 -19.448 779 HD1 TRP 99 HD1 TRP 99 -13.348 -5.596 -20.454 780 HE1 TRP 99 HE1 TRP 99 -11.606 -5.313 -18.611 781 HE3 TRP 99 HE3 TRP 99 -14.593 -9.568 -17.443 782 HZ2 TRP 99 HZ2 TRP 99 -10.835 -6.559 -16.224 783 HZ3 TRP 99 HZ3 TRP 99 -13.296 -9.944 -15.386 784 HH2 TRP 99 HH2 TRP 99 -11.433 -8.461 -14.779 785 H ILE 100 HN ILE 100 -16.704 -8.873 -22.248 786 HA ILE 100 HA ILE 100 -18.940 -10.114 -21.062 787 HB ILE 100 HB ILE 100 -18.360 -9.454 -23.958 788 1HG1 ILE 100 HG12 ILE 100 -20.072 -7.958 -21.965 789 2HG1 ILE 100 HG11 ILE 100 -18.388 -7.563 -22.280 790 1HG2 ILE 100 HG21 ILE 100 -20.831 -10.487 -22.619 791 2HG2 ILE 100 HG23 ILE 100 -20.964 -9.408 -24.010 792 3HG2 ILE 100 HG22 ILE 100 -20.121 -10.946 -24.166 793 1HD1 ILE 100 HD12 ILE 100 -19.105 -7.425 -24.763 794 2HD1 ILE 100 HD11 ILE 100 -20.747 -7.333 -24.127 795 3HD1 ILE 100 HD13 ILE 100 -19.560 -6.102 -23.686 796 H GLN 101 HN GLN 101 -16.582 -11.344 -23.434 797 HA GLN 101 HA GLN 101 -17.848 -13.850 -23.903 798 1HB GLN 101 HB2 GLN 101 -15.062 -12.798 -24.316 799 2HB GLN 101 HB1 GLN 101 -15.417 -14.498 -24.593 800 1HG GLN 101 HG2 GLN 101 -17.052 -12.301 -25.872 801 2HG GLN 101 HG1 GLN 101 -15.576 -12.915 -26.613 802 1HE2 GLN 101 HE22 GLN 101 -18.403 -14.836 -28.028 803 2HE2 GLN 101 HE21 GLN 101 -17.877 -13.182 -28.010 804 H ALA 102 HN ALA 102 -15.271 -12.869 -21.631 805 HA ALA 102 HA ALA 102 -14.730 -15.424 -20.545 806 1HB ALA 102 HB1 ALA 102 -13.302 -13.398 -20.229 807 2HB ALA 102 HB3 ALA 102 -14.514 -12.760 -19.117 808 3HB ALA 102 HB2 ALA 102 -13.649 -14.249 -18.729 809 H ILE 103 HN ILE 103 -17.048 -12.919 -19.598 810 HA ILE 103 HA ILE 103 -18.083 -14.273 -17.291 811 HB ILE 103 HB ILE 103 -19.147 -12.034 -19.024 812 1HG1 ILE 103 HG12 ILE 103 -18.251 -11.793 -16.167 813 2HG1 ILE 103 HG11 ILE 103 -17.050 -11.838 -17.452 814 1HG2 ILE 103 HG21 ILE 103 -20.401 -13.455 -16.729 815 2HG2 ILE 103 HG23 ILE 103 -20.563 -11.701 -16.798 816 3HG2 ILE 103 HG22 ILE 103 -21.148 -12.692 -18.134 817 1HD1 ILE 103 HD13 ILE 103 -19.227 -9.971 -18.021 818 2HD1 ILE 103 HD12 ILE 103 -18.343 -9.581 -16.544 819 3HD1 ILE 103 HD11 ILE 103 -17.480 -9.726 -18.072 820 H SER 104 HN SER 104 -19.075 -14.068 -20.716 821 HA SER 104 HA SER 104 -21.494 -15.534 -20.512 822 1HB SER 104 HB2 SER 104 -19.604 -15.170 -22.850 823 2HB SER 104 HB1 SER 104 -21.220 -15.855 -22.964 824 HG SER 104 HG SER 104 -20.450 -13.200 -22.355 825 H SER 105 HN SER 105 -18.151 -16.526 -21.169 826 HA SER 105 HA SER 105 -18.861 -19.333 -21.445 827 1HB SER 105 HB2 SER 105 -16.129 -18.046 -21.349 828 2HB SER 105 HB1 SER 105 -16.510 -19.678 -21.900 829 HG SER 105 HG SER 105 -18.045 -17.889 -23.228 830 H ALA 106 HN ALA 106 -19.005 -17.642 -18.787 831 HA ALA 106 HA ALA 106 -17.264 -19.189 -17.024 832 1HB ALA 106 HB2 ALA 106 -17.776 -16.749 -16.641 833 2HB ALA 106 HB1 ALA 106 -19.433 -17.218 -16.267 834 3HB ALA 106 HB3 ALA 106 -18.105 -17.794 -15.257 No H/Q in entry = 834 Start of MODEL 13 1 1H MET 1 HT3 MET 1 -7.087 -12.376 -17.013 2 2H MET 1 HT2 MET 1 -7.564 -13.121 -18.470 3 3H MET 1 HT1 MET 1 -7.115 -11.472 -18.455 4 HA MET 1 HA MET 1 -9.442 -11.488 -18.568 5 1HB MET 1 HB2 MET 1 -9.433 -13.342 -16.168 6 2HB MET 1 HB1 MET 1 -10.853 -12.707 -16.994 7 1HG MET 1 HG2 MET 1 -10.816 -14.467 -18.364 8 2HG MET 1 HG1 MET 1 -9.259 -13.936 -18.981 9 1HE MET 1 HE2 MET 1 -11.142 -15.766 -16.265 10 2HE MET 1 HE1 MET 1 -10.944 -17.079 -17.422 11 3HE MET 1 HE3 MET 1 -10.131 -17.148 -15.853 12 H GLU 2 HN GLU 2 -7.810 -11.729 -15.426 13 HA GLU 2 HA GLU 2 -9.252 -9.813 -13.991 14 1HB GLU 2 HB2 GLU 2 -6.440 -10.881 -13.768 15 2HB GLU 2 HB1 GLU 2 -7.023 -9.632 -12.678 16 1HG GLU 2 HG2 GLU 2 -7.275 -11.882 -11.713 17 2HG GLU 2 HG1 GLU 2 -8.817 -11.066 -11.913 18 H GLY 3 HN GLY 3 -8.963 -7.631 -13.582 19 1HA GLY 3 HA2 GLY 3 -6.920 -5.935 -14.181 20 2HA GLY 3 HA1 GLY 3 -7.815 -6.007 -15.667 21 H PHE 4 HN PHE 4 -7.936 -3.636 -15.034 22 HA PHE 4 HA PHE 4 -9.871 -2.945 -12.972 23 1HB PHE 4 HB2 PHE 4 -8.109 -1.424 -14.851 24 2HB PHE 4 HB1 PHE 4 -9.458 -0.604 -14.078 25 HD1 PHE 4 HD1 PHE 4 -9.630 -0.682 -11.556 26 HD2 PHE 4 HD2 PHE 4 -6.085 -1.754 -13.683 27 HE1 PHE 4 HE1 PHE 4 -8.306 -0.371 -9.509 28 HE2 PHE 4 HE2 PHE 4 -4.761 -1.436 -11.629 29 HZ PHE 4 HZ PHE 4 -5.871 -0.741 -9.543 30 H LEU 5 HN LEU 5 -11.806 -1.850 -13.325 31 HA LEU 5 HA LEU 5 -12.956 -1.633 -15.994 32 1HB LEU 5 HB2 LEU 5 -13.696 -3.768 -14.049 33 2HB LEU 5 HB1 LEU 5 -15.033 -2.917 -14.805 34 HG LEU 5 HG LEU 5 -12.806 -4.331 -16.260 35 1HD1 LEU 5 HD12 LEU 5 -15.565 -5.127 -15.443 36 2HD1 LEU 5 HD11 LEU 5 -14.952 -5.693 -16.997 37 3HD1 LEU 5 HD13 LEU 5 -14.086 -6.085 -15.513 38 1HD2 LEU 5 HD22 LEU 5 -15.032 -2.576 -17.160 39 2HD2 LEU 5 HD21 LEU 5 -13.401 -2.749 -17.805 40 3HD2 LEU 5 HD23 LEU 5 -14.621 -3.968 -18.161 41 H ASN 6 HN ASN 6 -14.704 -0.185 -16.023 42 HA ASN 6 HA ASN 6 -15.034 1.474 -13.631 43 1HB ASN 6 HB2 ASN 6 -15.179 1.947 -16.444 44 2HB ASN 6 HB1 ASN 6 -16.780 2.240 -15.783 45 1HD2 ASN 6 HD22 ASN 6 -14.202 5.143 -15.471 46 2HD2 ASN 6 HD21 ASN 6 -14.297 3.916 -16.696 47 H ARG 7 HN ARG 7 -16.752 1.255 -12.268 48 HA ARG 7 HA ARG 7 -18.939 -0.561 -13.134 49 1HB ARG 7 HB2 ARG 7 -17.249 -1.417 -11.391 50 2HB ARG 7 HB1 ARG 7 -18.007 -0.276 -10.282 51 1HG ARG 7 HG2 ARG 7 -20.215 -1.369 -10.775 52 2HG ARG 7 HG1 ARG 7 -19.358 -2.559 -11.745 53 1HD ARG 7 HD2 ARG 7 -19.640 -3.592 -9.635 54 2HD ARG 7 HD1 ARG 7 -17.965 -3.038 -9.640 55 HE ARG 7 HE ARG 7 -19.329 -0.944 -8.522 56 1HH1 ARG 7 HH11 ARG 7 -20.637 -3.940 -7.841 57 2HH1 ARG 7 HH12 ARG 7 -20.293 -3.939 -6.138 58 1HH2 ARG 7 HH21 ARG 7 -18.117 -1.176 -6.341 59 2HH2 ARG 7 HH22 ARG 7 -18.834 -2.349 -5.274 60 H LYS 8 HN LYS 8 -20.965 -0.029 -12.705 61 HA LYS 8 HA LYS 8 -21.678 2.212 -10.971 62 1HB LYS 8 HB2 LYS 8 -21.281 3.202 -13.224 63 2HB LYS 8 HB1 LYS 8 -22.487 2.116 -13.892 64 1HG LYS 8 HG2 LYS 8 -23.807 3.336 -11.765 65 2HG LYS 8 HG1 LYS 8 -22.816 4.630 -12.430 66 1HD LYS 8 HD2 LYS 8 -24.474 4.919 -13.929 67 2HD LYS 8 HD1 LYS 8 -23.854 3.472 -14.707 68 1HE LYS 8 HE2 LYS 8 -26.130 3.008 -14.458 69 2HE LYS 8 HE1 LYS 8 -25.407 2.186 -13.079 70 1HZ LYS 8 HZ1 LYS 8 -26.542 4.924 -12.946 71 2HZ LYS 8 HZ3 LYS 8 -27.439 3.518 -12.595 72 3HZ LYS 8 HZ2 LYS 8 -26.084 3.924 -11.640 73 H HIS 9 HN HIS 9 -23.057 1.153 -9.675 74 HA HIS 9 HA HIS 9 -24.626 -1.079 -10.630 75 1HB HIS 9 HB2 HIS 9 -25.417 -1.292 -8.335 76 2HB HIS 9 HB1 HIS 9 -23.671 -1.182 -8.410 77 HD1 HIS 9 HD1 HIS 9 -24.973 -0.648 -5.786 78 HD2 HIS 9 HD2 HIS 9 -24.234 2.363 -8.535 79 HE1 HIS 9 HE1 HIS 9 -24.847 1.453 -4.436 80 H GLU 10 HN GLU 10 -26.629 -1.079 -11.339 81 HA GLU 10 HA GLU 10 -28.189 1.421 -11.272 82 1HB GLU 10 HB2 GLU 10 -27.721 0.405 -13.485 83 2HB GLU 10 HB1 GLU 10 -28.549 -1.062 -12.975 84 1HG GLU 10 HG2 GLU 10 -30.060 0.248 -14.329 85 2HG GLU 10 HG1 GLU 10 -30.640 0.271 -12.667 86 H TRP 11 HN TRP 11 -28.363 -2.022 -10.492 87 HA TRP 11 HA TRP 11 -30.392 -1.497 -8.490 88 1HB TRP 11 HB2 TRP 11 -31.697 -1.775 -10.582 89 2HB TRP 11 HB1 TRP 11 -30.964 -3.355 -10.810 90 HD1 TRP 11 HD1 TRP 11 -33.299 -1.562 -8.234 91 HE1 TRP 11 HE1 TRP 11 -34.824 -3.353 -7.231 92 HE3 TRP 11 HE3 TRP 11 -31.354 -5.745 -10.465 93 HZ2 TRP 11 HZ2 TRP 11 -35.174 -6.141 -7.333 94 HZ3 TRP 11 HZ3 TRP 11 -32.328 -7.939 -9.963 95 HH2 TRP 11 HH2 TRP 11 -34.220 -8.141 -8.409 96 H GLU 12 HN GLU 12 -30.503 -3.070 -6.959 97 HA GLU 12 HA GLU 12 -29.425 -5.680 -7.108 98 1HB GLU 12 HB2 GLU 12 -27.621 -5.293 -5.324 99 2HB GLU 12 HB1 GLU 12 -27.221 -4.836 -6.972 100 1HG GLU 12 HG2 GLU 12 -27.685 -2.481 -6.452 101 2HG GLU 12 HG1 GLU 12 -28.126 -2.925 -4.803 102 H ALA 13 HN ALA 13 -30.221 -2.901 -5.127 103 HA ALA 13 HA ALA 13 -31.369 -4.529 -2.981 104 1HB ALA 13 HB2 ALA 13 -31.022 -1.546 -3.382 105 2HB ALA 13 HB1 ALA 13 -31.904 -2.238 -2.022 106 3HB ALA 13 HB3 ALA 13 -30.185 -2.583 -2.227 107 H HIS 14 HN HIS 14 -33.493 -5.020 -2.929 108 HA HIS 14 HA HIS 14 -35.205 -4.374 -5.125 109 1HB HIS 14 HB2 HIS 14 -36.978 -5.451 -3.462 110 2HB HIS 14 HB1 HIS 14 -35.811 -6.425 -4.339 111 HD1 HIS 14 HD1 HIS 14 -33.804 -7.380 -2.979 112 HD2 HIS 14 HD2 HIS 14 -36.697 -5.525 -0.661 113 HE1 HIS 14 HE1 HIS 14 -33.321 -8.107 -0.633 114 H ASN 15 HN ASN 15 -35.646 -2.280 -5.320 115 HA ASN 15 HA ASN 15 -37.557 -1.059 -3.535 116 1HB ASN 15 HB2 ASN 15 -35.302 -0.533 -2.492 117 2HB ASN 15 HB1 ASN 15 -34.893 0.351 -3.954 118 1HD2 ASN 15 HD22 ASN 15 -37.226 2.025 -1.112 119 2HD2 ASN 15 HD21 ASN 15 -36.526 0.439 -0.961 120 H LYS 16 HN LYS 16 -35.311 0.687 -5.603 121 HA LYS 16 HA LYS 16 -37.198 0.698 -7.860 122 1HB LYS 16 HB2 LYS 16 -36.192 3.137 -6.384 123 2HB LYS 16 HB1 LYS 16 -36.736 3.218 -8.053 124 1HG LYS 16 HG2 LYS 16 -38.606 1.879 -6.197 125 2HG LYS 16 HG1 LYS 16 -38.343 3.585 -5.887 126 1HD LYS 16 HD2 LYS 16 -39.907 3.972 -7.451 127 2HD LYS 16 HD1 LYS 16 -38.687 3.519 -8.632 128 1HE LYS 16 HE2 LYS 16 -40.284 1.325 -7.369 129 2HE LYS 16 HE1 LYS 16 -41.084 2.350 -8.553 130 1HZ LYS 16 HZ2 LYS 16 -38.674 1.722 -9.694 131 2HZ LYS 16 HZ1 LYS 16 -39.191 0.275 -8.958 132 3HZ LYS 16 HZ3 LYS 16 -40.196 1.061 -10.089 133 H LYS 17 HN LYS 17 -34.120 2.121 -6.724 134 HA LYS 17 HA LYS 17 -32.524 0.712 -8.631 135 1HB LYS 17 HB2 LYS 17 -31.746 2.775 -9.875 136 2HB LYS 17 HB1 LYS 17 -33.352 2.196 -10.298 137 1HG LYS 17 HG2 LYS 17 -34.417 3.987 -9.260 138 2HG LYS 17 HG1 LYS 17 -33.056 4.312 -8.189 139 1HD LYS 17 HD2 LYS 17 -31.770 5.270 -9.957 140 2HD LYS 17 HD1 LYS 17 -32.912 4.710 -11.175 141 1HE LYS 17 HE2 LYS 17 -34.244 6.510 -10.910 142 2HE LYS 17 HE1 LYS 17 -34.189 6.393 -9.154 143 1HZ LYS 17 HZ3 LYS 17 -31.941 7.471 -10.750 144 2HZ LYS 17 HZ2 LYS 17 -33.218 8.450 -10.171 145 3HZ LYS 17 HZ1 LYS 17 -32.212 7.621 -9.072 146 H ALA 18 HN ALA 18 -30.261 1.219 -8.417 147 HA ALA 18 HA ALA 18 -29.607 2.270 -5.743 148 1HB ALA 18 HB2 ALA 18 -28.791 0.017 -6.346 149 2HB ALA 18 HB1 ALA 18 -27.893 0.710 -7.699 150 3HB ALA 18 HB3 ALA 18 -27.463 1.133 -6.042 151 H SER 19 HN SER 19 -28.931 4.293 -5.566 152 HA SER 19 HA SER 19 -27.184 5.469 -7.642 153 1HB SER 19 HB2 SER 19 -29.541 6.934 -6.426 154 2HB SER 19 HB1 SER 19 -28.426 7.540 -7.651 155 HG SER 19 HG SER 19 -29.282 5.391 -8.740 156 H SER 20 HN SER 20 -25.987 4.514 -5.578 157 HA SER 20 HA SER 20 -25.579 6.721 -3.646 158 1HB SER 20 HB2 SER 20 -24.454 4.659 -2.354 159 2HB SER 20 HB1 SER 20 -26.164 5.046 -2.209 160 HG SER 20 HG SER 20 -26.595 3.163 -3.040 161 H ARG 21 HN ARG 21 -24.028 4.292 -5.697 162 HA ARG 21 HA ARG 21 -21.471 5.775 -5.488 163 1HB ARG 21 HB2 ARG 21 -22.082 2.878 -5.415 164 2HB ARG 21 HB1 ARG 21 -20.734 3.330 -6.452 165 1HG ARG 21 HG2 ARG 21 -21.013 4.124 -3.544 166 2HG ARG 21 HG1 ARG 21 -20.041 2.777 -4.137 167 1HD ARG 21 HD2 ARG 21 -19.047 4.740 -5.694 168 2HD ARG 21 HD1 ARG 21 -19.541 5.706 -4.305 169 HE ARG 21 HE ARG 21 -17.391 3.732 -4.396 170 1HH1 ARG 21 HH11 ARG 21 -19.265 3.450 -1.852 171 2HH1 ARG 21 HH12 ARG 21 -18.357 4.403 -0.705 172 1HH2 ARG 21 HH21 ARG 21 -16.340 5.921 -3.180 173 2HH2 ARG 21 HH22 ARG 21 -16.692 5.836 -1.475 174 H SER 22 HN SER 22 -21.165 6.943 -7.259 175 HA SER 22 HA SER 22 -22.465 6.338 -9.788 176 1HB SER 22 HB2 SER 22 -20.622 8.374 -10.285 177 2HB SER 22 HB1 SER 22 -22.317 8.583 -9.866 178 HG SER 22 HG SER 22 -21.778 8.919 -7.752 179 H TRP 23 HN TRP 23 -20.719 6.856 -11.745 180 HA TRP 23 HA TRP 23 -19.364 4.504 -12.280 181 1HB TRP 23 HB2 TRP 23 -19.133 7.305 -13.331 182 2HB TRP 23 HB1 TRP 23 -17.965 6.100 -13.861 183 HD1 TRP 23 HD1 TRP 23 -21.315 7.410 -14.760 184 HE1 TRP 23 HE1 TRP 23 -22.468 5.834 -16.399 185 HE3 TRP 23 HE3 TRP 23 -18.264 3.331 -14.336 186 HZ2 TRP 23 HZ2 TRP 23 -22.163 3.208 -17.403 187 HZ3 TRP 23 HZ3 TRP 23 -18.737 1.330 -15.656 188 HH2 TRP 23 HH2 TRP 23 -20.671 1.257 -17.186 189 H HIS 24 HN HIS 24 -17.936 3.633 -10.865 190 HA HIS 24 HA HIS 24 -15.550 5.226 -10.116 191 1HB HIS 24 HB2 HIS 24 -15.379 3.771 -8.089 192 2HB HIS 24 HB1 HIS 24 -16.782 4.831 -8.094 193 HD1 HIS 24 HD1 HIS 24 -19.101 3.613 -8.696 194 HD2 HIS 24 HD2 HIS 24 -15.957 1.098 -7.750 195 HE1 HIS 24 HE1 HIS 24 -20.172 1.423 -8.135 196 H ASN 25 HN ASN 25 -13.575 4.334 -10.431 197 HA ASN 25 HA ASN 25 -13.424 2.000 -12.162 198 1HB ASN 25 HB2 ASN 25 -11.935 4.230 -12.100 199 2HB ASN 25 HB1 ASN 25 -10.952 3.244 -11.017 200 1HD2 ASN 25 HD22 ASN 25 -10.722 2.674 -14.968 201 2HD2 ASN 25 HD21 ASN 25 -11.450 4.045 -14.196 202 H VAL 26 HN VAL 26 -13.295 -0.010 -11.418 203 HA VAL 26 HA VAL 26 -12.039 -0.546 -8.793 204 HB VAL 26 HB VAL 26 -14.665 -0.492 -8.954 205 1HG1 VAL 26 HG12 VAL 26 -14.619 -2.123 -10.927 206 2HG1 VAL 26 HG11 VAL 26 -14.257 -3.365 -9.725 207 3HG1 VAL 26 HG13 VAL 26 -15.759 -2.448 -9.619 208 1HG2 VAL 26 HG22 VAL 26 -13.399 -1.119 -6.969 209 2HG2 VAL 26 HG21 VAL 26 -14.818 -2.144 -7.190 210 3HG2 VAL 26 HG23 VAL 26 -13.217 -2.763 -7.603 211 H TYR 27 HN TYR 27 -11.367 -2.804 -8.539 212 HA TYR 27 HA TYR 27 -10.400 -3.927 -11.091 213 1HB TYR 27 HB2 TYR 27 -8.832 -3.323 -9.151 214 2HB TYR 27 HB1 TYR 27 -9.479 -4.739 -8.341 215 HD1 TYR 27 HD1 TYR 27 -7.676 -3.598 -11.388 216 HD2 TYR 27 HD2 TYR 27 -8.743 -6.905 -8.904 217 HE1 TYR 27 HE1 TYR 27 -6.081 -5.036 -12.602 218 HE2 TYR 27 HE2 TYR 27 -7.139 -8.332 -10.107 219 HH TYR 27 HH TYR 27 -5.573 -7.292 -13.038 220 H CYS 28 HN CYS 28 -11.386 -5.648 -11.879 221 HA CYS 28 HA CYS 28 -13.096 -7.296 -10.111 222 1HB CYS 28 HB2 CYS 28 -13.224 -6.950 -13.113 223 2HB CYS 28 HB1 CYS 28 -14.353 -7.861 -12.116 224 HG CYS 28 HG CYS 28 -14.222 -4.984 -11.212 225 H VAL 29 HN VAL 29 -12.886 -9.468 -10.063 226 HA VAL 29 HA VAL 29 -10.789 -10.773 -11.691 227 HB VAL 29 HB VAL 29 -11.291 -11.147 -8.723 228 1HG1 VAL 29 HG12 VAL 29 -9.659 -12.670 -10.701 229 2HG1 VAL 29 HG11 VAL 29 -9.033 -12.472 -9.067 230 3HG1 VAL 29 HG13 VAL 29 -10.595 -13.252 -9.325 231 1HG2 VAL 29 HG21 VAL 29 -9.164 -9.700 -10.265 232 2HG2 VAL 29 HG23 VAL 29 -10.077 -9.171 -8.856 233 3HG2 VAL 29 HG22 VAL 29 -8.816 -10.388 -8.682 234 H ILE 30 HN ILE 30 -11.385 -12.721 -12.536 235 HA ILE 30 HA ILE 30 -14.032 -13.819 -11.729 236 HB ILE 30 HB ILE 30 -12.739 -14.163 -14.439 237 1HG1 ILE 30 HG12 ILE 30 -14.782 -12.065 -13.639 238 2HG1 ILE 30 HG11 ILE 30 -13.096 -11.752 -14.052 239 1HG2 ILE 30 HG21 ILE 30 -15.581 -14.496 -13.457 240 2HG2 ILE 30 HG23 ILE 30 -15.055 -14.692 -15.129 241 3HG2 ILE 30 HG22 ILE 30 -14.461 -15.793 -13.883 242 1HD1 ILE 30 HD12 ILE 30 -15.100 -13.025 -15.920 243 2HD1 ILE 30 HD11 ILE 30 -14.659 -11.316 -15.929 244 3HD1 ILE 30 HD13 ILE 30 -13.445 -12.539 -16.309 245 H ASN 31 HN ASN 31 -14.112 -15.927 -11.136 246 HA ASN 31 HA ASN 31 -11.980 -17.784 -11.843 247 1HB ASN 31 HB2 ASN 31 -11.259 -16.470 -9.740 248 2HB ASN 31 HB1 ASN 31 -12.523 -17.359 -8.901 249 1HD2 ASN 31 HD22 ASN 31 -9.029 -19.169 -9.889 250 2HD2 ASN 31 HD21 ASN 31 -9.380 -17.517 -10.308 251 H ASN 32 HN ASN 32 -13.108 -19.449 -12.540 252 HA ASN 32 HA ASN 32 -14.741 -21.032 -12.819 253 1HB ASN 32 HB2 ASN 32 -13.258 -21.742 -10.832 254 2HB ASN 32 HB1 ASN 32 -14.635 -21.330 -9.816 255 1HD2 ASN 32 HD22 ASN 32 -15.228 -24.837 -10.343 256 2HD2 ASN 32 HD21 ASN 32 -14.385 -23.700 -9.329 257 H GLN 33 HN GLN 33 -16.247 -19.143 -13.315 258 HA GLN 33 HA GLN 33 -18.327 -18.220 -13.293 259 1HB GLN 33 HB2 GLN 33 -18.902 -20.748 -11.752 260 2HB GLN 33 HB1 GLN 33 -20.156 -19.631 -12.279 261 1HG GLN 33 HG2 GLN 33 -18.359 -20.258 -14.465 262 2HG GLN 33 HG1 GLN 33 -19.009 -21.736 -13.764 263 1HE2 GLN 33 HE22 GLN 33 -22.277 -21.229 -14.955 264 2HE2 GLN 33 HE21 GLN 33 -21.233 -22.133 -13.893 265 H GLU 34 HN GLU 34 -16.451 -17.641 -10.949 266 HA GLU 34 HA GLU 34 -18.461 -16.232 -9.299 267 1HB GLU 34 HB2 GLU 34 -16.037 -17.712 -8.229 268 2HB GLU 34 HB1 GLU 34 -17.055 -16.638 -7.284 269 1HG GLU 34 HG2 GLU 34 -18.151 -19.073 -8.703 270 2HG GLU 34 HG1 GLU 34 -17.504 -19.142 -7.067 271 H MET 35 HN MET 35 -17.583 -14.221 -8.359 272 HA MET 35 HA MET 35 -14.979 -13.385 -9.405 273 1HB MET 35 HB2 MET 35 -15.829 -11.338 -10.395 274 2HB MET 35 HB1 MET 35 -16.599 -12.728 -11.146 275 1HG MET 35 HG2 MET 35 -18.638 -12.343 -9.989 276 2HG MET 35 HG1 MET 35 -17.893 -11.179 -8.901 277 1HE MET 35 HE3 MET 35 -19.744 -9.431 -9.296 278 2HE MET 35 HE2 MET 35 -20.187 -8.746 -10.861 279 3HE MET 35 HE1 MET 35 -20.635 -10.409 -10.473 280 H GLY 36 HN GLY 36 -14.425 -11.148 -8.598 281 1HA GLY 36 HA2 GLY 36 -15.610 -10.465 -6.020 282 2HA GLY 36 HA1 GLY 36 -13.921 -10.973 -6.012 283 H PHE 37 HN PHE 37 -15.044 -8.400 -5.296 284 HA PHE 37 HA PHE 37 -13.916 -6.609 -7.367 285 1HB PHE 37 HB2 PHE 37 -15.865 -6.069 -5.118 286 2HB PHE 37 HB1 PHE 37 -15.183 -4.828 -6.165 287 HD1 PHE 37 HD1 PHE 37 -15.437 -5.284 -8.746 288 HD2 PHE 37 HD2 PHE 37 -17.904 -7.014 -5.716 289 HE1 PHE 37 HE1 PHE 37 -17.188 -5.712 -10.417 290 HE2 PHE 37 HE2 PHE 37 -19.661 -7.435 -7.389 291 HZ PHE 37 HZ PHE 37 -19.308 -6.785 -9.739 292 H TYR 38 HN TYR 38 -11.949 -5.900 -6.982 293 HA TYR 38 HA TYR 38 -11.030 -5.502 -4.183 294 1HB TYR 38 HB2 TYR 38 -9.475 -6.554 -6.557 295 2HB TYR 38 HB1 TYR 38 -8.757 -6.119 -5.011 296 HD1 TYR 38 HD1 TYR 38 -9.298 -7.419 -2.973 297 HD2 TYR 38 HD2 TYR 38 -10.636 -8.603 -6.838 298 HE1 TYR 38 HE1 TYR 38 -9.777 -9.675 -2.115 299 HE2 TYR 38 HE2 TYR 38 -11.113 -10.864 -5.997 300 HH TYR 38 HH TYR 38 -11.681 -11.869 -3.645 301 H LYS 39 HN LYS 39 -8.836 -4.155 -4.363 302 HA LYS 39 HA LYS 39 -9.589 -1.593 -5.496 303 1HB LYS 39 HB2 LYS 39 -8.251 -2.284 -3.238 304 2HB LYS 39 HB1 LYS 39 -6.897 -1.944 -4.309 305 1HG LYS 39 HG2 LYS 39 -7.633 0.289 -4.694 306 2HG LYS 39 HG1 LYS 39 -9.202 -0.029 -3.958 307 1HD LYS 39 HD2 LYS 39 -7.957 -0.505 -1.801 308 2HD LYS 39 HD1 LYS 39 -6.519 0.137 -2.588 309 1HE LYS 39 HE2 LYS 39 -7.149 2.233 -2.142 310 2HE LYS 39 HE1 LYS 39 -8.685 1.988 -2.963 311 1HZ LYS 39 HZ3 LYS 39 -8.357 0.921 -0.251 312 2HZ LYS 39 HZ2 LYS 39 -8.594 2.605 -0.444 313 3HZ LYS 39 HZ1 LYS 39 -9.757 1.495 -1.026 314 H ASP 40 HN ASP 40 -7.003 -3.991 -5.952 315 HA ASP 40 HA ASP 40 -6.707 -3.310 -8.736 316 1HB ASP 40 HB2 ASP 40 -4.516 -2.454 -8.743 317 2HB ASP 40 HB1 ASP 40 -5.308 -1.571 -7.446 318 H ALA 41 HN ALA 41 -4.330 -4.479 -9.326 319 HA ALA 41 HA ALA 41 -4.885 -7.257 -9.202 320 1HB ALA 41 HB1 ALA 41 -3.591 -6.179 -11.010 321 2HB ALA 41 HB3 ALA 41 -2.277 -5.876 -9.872 322 3HB ALA 41 HB2 ALA 41 -2.716 -7.533 -10.289 323 H LYS 42 HN LYS 42 -2.709 -5.194 -7.304 324 HA LYS 42 HA LYS 42 -1.376 -7.296 -5.906 325 1HB LYS 42 HB2 LYS 42 -1.775 -4.366 -5.280 326 2HB LYS 42 HB1 LYS 42 -0.831 -5.442 -4.261 327 1HG LYS 42 HG2 LYS 42 0.596 -5.980 -6.242 328 2HG LYS 42 HG1 LYS 42 -0.307 -4.787 -7.167 329 1HD LYS 42 HD2 LYS 42 1.382 -3.418 -6.499 330 2HD LYS 42 HD1 LYS 42 0.380 -3.258 -5.062 331 1HE LYS 42 HE2 LYS 42 2.649 -5.234 -5.391 332 2HE LYS 42 HE1 LYS 42 2.758 -3.712 -4.516 333 1HZ LYS 42 HZ2 LYS 42 0.902 -4.562 -3.084 334 2HZ LYS 42 HZ1 LYS 42 1.116 -6.086 -3.826 335 3HZ LYS 42 HZ3 LYS 42 2.388 -5.394 -2.932 336 H SER 43 HN SER 43 -4.189 -5.268 -5.150 337 HA SER 43 HA SER 43 -4.744 -6.290 -2.568 338 1HB SER 43 HB2 SER 43 -6.712 -5.171 -4.564 339 2HB SER 43 HB1 SER 43 -6.921 -5.270 -2.818 340 HG SER 43 HG SER 43 -5.036 -3.681 -4.263 341 H ALA 44 HN ALA 44 -5.667 -7.385 -5.787 342 HA ALA 44 HA ALA 44 -7.556 -9.368 -4.934 343 1HB ALA 44 HB2 ALA 44 -6.102 -8.865 -7.530 344 2HB ALA 44 HB1 ALA 44 -7.214 -10.217 -7.314 345 3HB ALA 44 HB3 ALA 44 -7.796 -8.560 -7.150 346 H ALA 45 HN ALA 45 -4.138 -9.454 -5.915 347 HA ALA 45 HA ALA 45 -3.796 -12.269 -5.722 348 1HB ALA 45 HB2 ALA 45 -1.763 -10.030 -5.541 349 2HB ALA 45 HB1 ALA 45 -1.375 -11.745 -5.728 350 3HB ALA 45 HB3 ALA 45 -2.254 -10.897 -7.000 351 H SER 46 HN SER 46 -2.991 -9.642 -3.434 352 HA SER 46 HA SER 46 -2.055 -11.433 -1.383 353 1HB SER 46 HB2 SER 46 -2.847 -8.523 -1.177 354 2HB SER 46 HB1 SER 46 -1.892 -9.432 -0.007 355 HG SER 46 HG SER 46 -0.661 -9.813 -2.277 356 H GLY 47 HN GLY 47 -5.180 -10.296 -2.298 357 1HA GLY 47 HA2 GLY 47 -7.269 -10.931 -1.541 358 2HA GLY 47 HA1 GLY 47 -6.488 -11.910 -0.301 359 H ILE 48 HN ILE 48 -6.718 -8.448 -1.119 360 HA ILE 48 HA ILE 48 -7.160 -7.795 1.731 361 HB ILE 48 HB ILE 48 -6.443 -5.832 -0.442 362 1HG1 ILE 48 HG12 ILE 48 -4.548 -7.582 1.152 363 2HG1 ILE 48 HG11 ILE 48 -4.724 -7.533 -0.597 364 1HG2 ILE 48 HG23 ILE 48 -7.203 -4.925 1.699 365 2HG2 ILE 48 HG22 ILE 48 -5.954 -5.847 2.540 366 3HG2 ILE 48 HG21 ILE 48 -5.501 -4.558 1.425 367 1HD1 ILE 48 HD13 ILE 48 -4.125 -4.901 0.514 368 2HD1 ILE 48 HD12 ILE 48 -2.884 -6.096 0.896 369 3HD1 ILE 48 HD11 ILE 48 -3.323 -5.787 -0.785 370 HA PRO 49 HA PRO 49 -11.390 -6.943 0.568 371 1HB PRO 49 HB2 PRO 49 -12.135 -5.512 2.771 372 2HB PRO 49 HB1 PRO 49 -11.992 -7.274 2.735 373 1HG PRO 49 HG2 PRO 49 -10.075 -5.234 3.778 374 2HG PRO 49 HG1 PRO 49 -10.531 -6.803 4.464 375 1HD PRO 49 HD2 PRO 49 -8.219 -6.413 3.095 376 2HD PRO 49 HD1 PRO 49 -9.080 -7.965 3.098 377 H TYR 50 HN TYR 50 -12.461 -5.367 -0.518 378 HA TYR 50 HA TYR 50 -11.075 -2.893 -1.112 379 1HB TYR 50 HB2 TYR 50 -12.035 -4.064 -2.946 380 2HB TYR 50 HB1 TYR 50 -13.593 -4.190 -2.146 381 HD1 TYR 50 HD1 TYR 50 -11.212 -1.422 -2.992 382 HD2 TYR 50 HD2 TYR 50 -15.226 -2.877 -3.092 383 HE1 TYR 50 HE1 TYR 50 -11.941 0.655 -4.093 384 HE2 TYR 50 HE2 TYR 50 -15.953 -0.794 -4.187 385 HH TYR 50 HH TYR 50 -14.125 1.976 -4.269 386 H HIS 51 HN HIS 51 -14.445 -3.618 -0.136 387 HA HIS 51 HA HIS 51 -14.434 -1.245 1.624 388 1HB HIS 51 HB2 HIS 51 -15.910 -1.509 -0.891 389 2HB HIS 51 HB1 HIS 51 -16.989 -1.221 0.464 390 HD1 HIS 51 HD1 HIS 51 -17.218 1.122 1.211 391 HD2 HIS 51 HD2 HIS 51 -13.840 0.591 -1.124 392 HE1 HIS 51 HE1 HIS 51 -16.292 3.427 0.878 393 H SER 52 HN SER 52 -17.087 -3.312 0.512 394 HA SER 52 HA SER 52 -17.233 -4.578 3.183 395 1HB SER 52 HB2 SER 52 -19.894 -4.333 2.363 396 2HB SER 52 HB1 SER 52 -19.097 -3.408 3.630 397 HG SER 52 HG SER 52 -19.475 -2.685 0.899 398 H GLU 53 HN GLU 53 -19.018 -4.682 0.085 399 HA GLU 53 HA GLU 53 -19.197 -7.569 0.144 400 1HB GLU 53 HB2 GLU 53 -19.768 -6.030 -2.358 401 2HB GLU 53 HB1 GLU 53 -20.627 -7.387 -1.652 402 1HG GLU 53 HG2 GLU 53 -22.146 -5.756 -1.187 403 2HG GLU 53 HG1 GLU 53 -21.141 -5.567 0.247 404 H VAL 54 HN VAL 54 -17.439 -8.787 -0.307 405 HA VAL 54 HA VAL 54 -15.453 -7.755 -2.235 406 HB VAL 54 HB VAL 54 -14.764 -10.204 -0.738 407 1HG1 VAL 54 HG11 VAL 54 -13.403 -7.602 -1.402 408 2HG1 VAL 54 HG13 VAL 54 -12.655 -8.871 -0.431 409 3HG1 VAL 54 HG12 VAL 54 -13.112 -9.191 -2.104 410 1HG2 VAL 54 HG23 VAL 54 -15.164 -7.578 0.697 411 2HG2 VAL 54 HG22 VAL 54 -15.905 -9.129 1.085 412 3HG2 VAL 54 HG21 VAL 54 -14.175 -8.900 1.315 413 HA PRO 55 HA PRO 55 -16.420 -11.951 -4.167 414 1HB PRO 55 HB2 PRO 55 -17.701 -13.901 -2.773 415 2HB PRO 55 HB1 PRO 55 -15.976 -13.554 -2.605 416 1HG PRO 55 HG2 PRO 55 -18.124 -13.115 -0.689 417 2HG PRO 55 HG1 PRO 55 -16.372 -13.028 -0.447 418 1HD PRO 55 HD2 PRO 55 -18.292 -10.859 -0.919 419 2HD PRO 55 HD1 PRO 55 -16.633 -10.776 -0.304 420 H VAL 56 HN VAL 56 -17.907 -12.291 -5.740 421 HA VAL 56 HA VAL 56 -20.789 -12.140 -5.137 422 HB VAL 56 HB VAL 56 -19.362 -10.499 -7.242 423 1HG1 VAL 56 HG11 VAL 56 -22.284 -11.124 -6.886 424 2HG1 VAL 56 HG13 VAL 56 -21.741 -9.652 -7.691 425 3HG1 VAL 56 HG12 VAL 56 -21.303 -11.232 -8.350 426 1HG2 VAL 56 HG23 VAL 56 -20.748 -9.865 -4.673 427 2HG2 VAL 56 HG22 VAL 56 -19.258 -9.194 -5.346 428 3HG2 VAL 56 HG21 VAL 56 -20.823 -8.702 -5.995 429 H SER 57 HN SER 57 -21.981 -13.543 -6.356 430 HA SER 57 HA SER 57 -20.569 -15.619 -7.732 431 1HB SER 57 HB2 SER 57 -22.914 -16.520 -8.005 432 2HB SER 57 HB1 SER 57 -22.364 -16.289 -6.357 433 HG SER 57 HG SER 57 -23.600 -14.413 -6.226 434 H LEU 58 HN LEU 58 -20.627 -16.188 -9.854 435 HA LEU 58 HA LEU 58 -21.960 -14.409 -11.812 436 1HB LEU 58 HB2 LEU 58 -19.339 -14.206 -11.462 437 2HB LEU 58 HB1 LEU 58 -19.307 -15.681 -12.420 438 HG LEU 58 HG LEU 58 -20.754 -14.422 -14.108 439 1HD1 LEU 58 HD13 LEU 58 -19.799 -12.082 -12.458 440 2HD1 LEU 58 HD12 LEU 58 -20.518 -11.958 -14.067 441 3HD1 LEU 58 HD11 LEU 58 -21.472 -12.574 -12.716 442 1HD2 LEU 58 HD22 LEU 58 -17.882 -13.799 -13.528 443 2HD2 LEU 58 HD21 LEU 58 -18.563 -14.839 -14.779 444 3HD2 LEU 58 HD23 LEU 58 -18.692 -13.088 -14.922 445 H LYS 59 HN LYS 59 -22.994 -16.751 -10.710 446 HA LYS 59 HA LYS 59 -22.476 -19.041 -12.379 447 1HB LYS 59 HB2 LYS 59 -23.471 -18.777 -9.881 448 2HB LYS 59 HB1 LYS 59 -24.977 -18.884 -10.771 449 1HG LYS 59 HG2 LYS 59 -24.279 -21.087 -10.023 450 2HG LYS 59 HG1 LYS 59 -24.255 -20.999 -11.776 451 1HD LYS 59 HD2 LYS 59 -22.273 -22.142 -10.527 452 2HD LYS 59 HD1 LYS 59 -21.938 -21.081 -11.889 453 1HE LYS 59 HE2 LYS 59 -20.392 -20.591 -10.090 454 2HE LYS 59 HE1 LYS 59 -21.471 -19.228 -10.311 455 1HZ LYS 59 HZ1 LYS 59 -22.817 -20.179 -8.447 456 2HZ LYS 59 HZ3 LYS 59 -21.534 -21.264 -8.165 457 3HZ LYS 59 HZ2 LYS 59 -21.275 -19.583 -8.022 458 H GLU 60 HN GLU 60 -22.932 -18.695 -14.478 459 HA GLU 60 HA GLU 60 -24.120 -18.415 -16.408 460 1HB GLU 60 HB2 GLU 60 -26.582 -18.852 -14.694 461 2HB GLU 60 HB1 GLU 60 -26.455 -19.065 -16.436 462 1HG GLU 60 HG2 GLU 60 -24.946 -20.688 -14.364 463 2HG GLU 60 HG1 GLU 60 -26.384 -21.225 -15.226 464 H ALA 61 HN ALA 61 -23.249 -16.145 -15.793 465 HA ALA 61 HA ALA 61 -25.294 -14.160 -15.182 466 1HB ALA 61 HB3 ALA 61 -22.343 -13.958 -15.819 467 2HB ALA 61 HB2 ALA 61 -23.372 -12.565 -15.475 468 3HB ALA 61 HB1 ALA 61 -23.121 -13.794 -14.239 469 H ILE 62 HN ILE 62 -26.349 -12.921 -16.624 470 HA ILE 62 HA ILE 62 -25.867 -13.341 -19.496 471 HB ILE 62 HB ILE 62 -28.100 -11.861 -18.086 472 1HG1 ILE 62 HG12 ILE 62 -28.238 -14.585 -19.388 473 2HG1 ILE 62 HG11 ILE 62 -27.974 -14.360 -17.661 474 1HG2 ILE 62 HG23 ILE 62 -27.402 -12.295 -20.929 475 2HG2 ILE 62 HG22 ILE 62 -29.097 -12.535 -20.506 476 3HG2 ILE 62 HG21 ILE 62 -28.317 -10.989 -20.170 477 1HD1 ILE 62 HD11 ILE 62 -30.133 -12.840 -17.851 478 2HD1 ILE 62 HD13 ILE 62 -30.430 -13.834 -19.279 479 3HD1 ILE 62 HD12 ILE 62 -30.266 -14.591 -17.694 480 H CYS 63 HN CYS 63 -25.059 -11.765 -20.798 481 HA CYS 63 HA CYS 63 -24.507 -9.111 -19.596 482 1HB CYS 63 HB2 CYS 63 -22.533 -10.696 -19.807 483 2HB CYS 63 HB1 CYS 63 -22.703 -10.526 -21.548 484 HG CYS 63 HG CYS 63 -21.295 -8.596 -19.800 485 H GLU 64 HN GLU 64 -24.886 -7.361 -20.822 486 HA GLU 64 HA GLU 64 -25.779 -7.720 -23.628 487 1HB GLU 64 HB2 GLU 64 -27.027 -5.960 -21.501 488 2HB GLU 64 HB1 GLU 64 -27.446 -5.926 -23.211 489 1HG GLU 64 HG2 GLU 64 -28.119 -8.324 -23.050 490 2HG GLU 64 HG1 GLU 64 -27.783 -8.270 -21.317 491 H VAL 65 HN VAL 65 -24.949 -6.253 -25.046 492 HA VAL 65 HA VAL 65 -22.787 -4.546 -24.164 493 HB VAL 65 HB VAL 65 -24.043 -4.770 -26.908 494 1HG1 VAL 65 HG11 VAL 65 -21.479 -3.577 -25.883 495 2HG1 VAL 65 HG13 VAL 65 -21.634 -4.112 -27.557 496 3HG1 VAL 65 HG12 VAL 65 -22.698 -2.848 -26.932 497 1HG2 VAL 65 HG23 VAL 65 -22.385 -6.641 -25.412 498 2HG2 VAL 65 HG22 VAL 65 -23.256 -6.864 -26.930 499 3HG2 VAL 65 HG21 VAL 65 -21.642 -6.154 -26.934 500 H ALA 66 HN ALA 66 -22.758 -2.328 -24.025 501 HA ALA 66 HA ALA 66 -25.273 -0.868 -24.581 502 1HB ALA 66 HB1 ALA 66 -23.533 -0.672 -22.114 503 2HB ALA 66 HB3 ALA 66 -24.805 0.478 -22.522 504 3HB ALA 66 HB2 ALA 66 -25.207 -1.209 -22.200 505 H LEU 67 HN LEU 67 -24.500 -0.060 -26.485 506 HA LEU 67 HA LEU 67 -22.137 1.737 -26.378 507 1HB LEU 67 HB2 LEU 67 -23.118 -0.153 -28.352 508 2HB LEU 67 HB1 LEU 67 -22.960 1.453 -29.053 509 HG LEU 67 HG LEU 67 -20.662 1.600 -28.257 510 1HD1 LEU 67 HD12 LEU 67 -21.432 -0.865 -26.841 511 2HD1 LEU 67 HD11 LEU 67 -19.827 -0.885 -27.563 512 3HD1 LEU 67 HD13 LEU 67 -20.261 0.373 -26.401 513 1HD2 LEU 67 HD23 LEU 67 -21.078 0.678 -30.482 514 2HD2 LEU 67 HD22 LEU 67 -19.667 -0.079 -29.737 515 3HD2 LEU 67 HD21 LEU 67 -21.206 -0.940 -29.797 516 H ASP 68 HN ASP 68 -25.480 1.817 -26.208 517 HA ASP 68 HA ASP 68 -25.748 4.445 -27.522 518 1HB ASP 68 HB2 ASP 68 -28.158 4.066 -27.437 519 2HB ASP 68 HB1 ASP 68 -27.358 2.714 -28.231 520 H TYR 69 HN TYR 69 -24.924 3.360 -24.576 521 HA TYR 69 HA TYR 69 -26.625 4.894 -22.833 522 1HB TYR 69 HB2 TYR 69 -25.203 2.790 -22.307 523 2HB TYR 69 HB1 TYR 69 -23.851 3.901 -22.183 524 HD1 TYR 69 HD1 TYR 69 -27.402 3.958 -20.988 525 HD2 TYR 69 HD2 TYR 69 -23.260 4.283 -20.001 526 HE1 TYR 69 HE1 TYR 69 -27.994 4.388 -18.635 527 HE2 TYR 69 HE2 TYR 69 -23.858 4.718 -17.657 528 HH TYR 69 HH TYR 69 -26.958 5.523 -16.638 529 H LYS 70 HN LYS 70 -26.220 6.959 -21.966 530 HA LYS 70 HA LYS 70 -24.473 8.669 -23.510 531 1HB LYS 70 HB2 LYS 70 -26.403 9.148 -21.243 532 2HB LYS 70 HB1 LYS 70 -25.388 10.429 -21.896 533 1HG LYS 70 HG2 LYS 70 -27.226 10.732 -23.214 534 2HG LYS 70 HG1 LYS 70 -26.378 9.551 -24.197 535 1HD LYS 70 HD2 LYS 70 -27.860 8.009 -22.440 536 2HD LYS 70 HD1 LYS 70 -28.942 9.334 -22.826 537 1HE LYS 70 HE2 LYS 70 -27.481 7.786 -24.963 538 2HE LYS 70 HE1 LYS 70 -29.026 7.244 -24.325 539 1HZ LYS 70 HZ3 LYS 70 -29.860 9.545 -24.923 540 2HZ LYS 70 HZ2 LYS 70 -28.424 9.725 -25.823 541 3HZ LYS 70 HZ1 LYS 70 -29.537 8.488 -26.213 542 H LYS 71 HN LYS 71 -22.637 9.658 -22.905 543 HA LYS 71 HA LYS 71 -20.676 10.116 -21.834 544 1HB LYS 71 HB2 LYS 71 -22.174 11.037 -20.069 545 2HB LYS 71 HB1 LYS 71 -22.166 9.467 -19.276 546 1HG LYS 71 HG2 LYS 71 -20.562 10.916 -18.186 547 2HG LYS 71 HG1 LYS 71 -19.699 9.630 -19.017 548 1HD LYS 71 HD2 LYS 71 -18.697 11.059 -20.469 549 2HD LYS 71 HD1 LYS 71 -20.129 12.077 -20.623 550 1HE LYS 71 HE2 LYS 71 -18.477 12.079 -18.104 551 2HE LYS 71 HE1 LYS 71 -18.041 13.085 -19.481 552 1HZ LYS 71 HZ3 LYS 71 -20.233 14.102 -19.373 553 2HZ LYS 71 HZ2 LYS 71 -20.628 13.155 -18.011 554 3HZ LYS 71 HZ1 LYS 71 -19.373 14.312 -17.920 555 H LYS 72 HN LYS 72 -19.679 8.277 -22.849 556 HA LYS 72 HA LYS 72 -18.501 6.434 -21.016 557 1HB LYS 72 HB2 LYS 72 -19.500 4.365 -22.099 558 2HB LYS 72 HB1 LYS 72 -20.556 5.260 -21.020 559 1HG LYS 72 HG2 LYS 72 -21.954 4.832 -22.825 560 2HG LYS 72 HG1 LYS 72 -21.386 6.450 -23.191 561 1HD LYS 72 HD2 LYS 72 -19.768 5.569 -24.779 562 2HD LYS 72 HD1 LYS 72 -20.174 3.919 -24.320 563 1HE LYS 72 HE2 LYS 72 -21.319 4.338 -26.356 564 2HE LYS 72 HE1 LYS 72 -22.539 4.428 -25.092 565 1HZ LYS 72 HZ3 LYS 72 -22.107 6.921 -25.132 566 2HZ LYS 72 HZ2 LYS 72 -21.303 6.642 -26.609 567 3HZ LYS 72 HZ1 LYS 72 -22.951 6.260 -26.450 568 H LYS 73 HN LYS 73 -17.566 4.515 -22.330 569 HA LYS 73 HA LYS 73 -16.309 5.485 -24.835 570 1HB LYS 73 HB2 LYS 73 -15.115 3.612 -22.765 571 2HB LYS 73 HB1 LYS 73 -14.318 4.224 -24.209 572 1HG LYS 73 HG2 LYS 73 -15.331 6.036 -22.012 573 2HG LYS 73 HG1 LYS 73 -13.711 5.347 -22.010 574 1HD LYS 73 HD2 LYS 73 -13.638 6.353 -24.464 575 2HD LYS 73 HD1 LYS 73 -14.880 7.420 -23.817 576 1HE LYS 73 HE2 LYS 73 -12.782 8.517 -23.500 577 2HE LYS 73 HE1 LYS 73 -13.315 7.952 -21.918 578 1HZ LYS 73 HZ3 LYS 73 -11.652 6.096 -23.408 579 2HZ LYS 73 HZ2 LYS 73 -10.877 7.527 -22.901 580 3HZ LYS 73 HZ1 LYS 73 -11.618 6.503 -21.758 581 H HIS 74 HN HIS 74 -16.888 2.557 -22.941 582 HA HIS 74 HA HIS 74 -18.380 1.201 -25.035 583 1HB HIS 74 HB2 HIS 74 -15.548 0.501 -24.308 584 2HB HIS 74 HB1 HIS 74 -16.676 -0.817 -24.577 585 HD1 HIS 74 HD1 HIS 74 -14.710 1.759 -26.346 586 HD2 HIS 74 HD2 HIS 74 -17.611 -1.037 -27.286 587 HE1 HIS 74 HE1 HIS 74 -14.675 1.599 -28.841 588 H VAL 75 HN VAL 75 -20.118 0.772 -23.663 589 HA VAL 75 HA VAL 75 -19.504 -0.305 -20.968 590 HB VAL 75 HB VAL 75 -22.057 0.991 -21.924 591 1HG1 VAL 75 HG11 VAL 75 -21.071 0.237 -19.180 592 2HG1 VAL 75 HG13 VAL 75 -22.433 1.318 -19.461 593 3HG1 VAL 75 HG12 VAL 75 -22.509 -0.357 -20.006 594 1HG2 VAL 75 HG22 VAL 75 -19.530 2.200 -21.161 595 2HG2 VAL 75 HG21 VAL 75 -20.979 2.929 -21.862 596 3HG2 VAL 75 HG23 VAL 75 -20.859 2.715 -20.117 597 H PHE 76 HN PHE 76 -20.869 -1.924 -20.098 598 HA PHE 76 HA PHE 76 -22.649 -3.430 -21.809 599 1HB PHE 76 HB2 PHE 76 -21.525 -5.568 -21.568 600 2HB PHE 76 HB1 PHE 76 -20.511 -4.428 -22.424 601 HD1 PHE 76 HD1 PHE 76 -18.459 -3.551 -21.399 602 HD2 PHE 76 HD2 PHE 76 -20.903 -6.420 -19.394 603 HE1 PHE 76 HE1 PHE 76 -16.646 -3.968 -19.791 604 HE2 PHE 76 HE2 PHE 76 -19.082 -6.839 -17.788 605 HZ PHE 76 HZ PHE 76 -16.888 -5.770 -18.113 606 H LYS 77 HN LYS 77 -24.193 -4.391 -20.645 607 HA LYS 77 HA LYS 77 -24.194 -3.884 -17.754 608 1HB LYS 77 HB2 LYS 77 -26.586 -5.102 -18.976 609 2HB LYS 77 HB1 LYS 77 -26.445 -3.754 -17.859 610 1HG LYS 77 HG2 LYS 77 -25.534 -2.427 -19.886 611 2HG LYS 77 HG1 LYS 77 -26.221 -3.726 -20.857 612 1HD LYS 77 HD2 LYS 77 -27.765 -2.069 -18.847 613 2HD LYS 77 HD1 LYS 77 -27.762 -1.783 -20.583 614 1HE LYS 77 HE2 LYS 77 -28.445 -4.546 -19.776 615 2HE LYS 77 HE1 LYS 77 -29.600 -3.319 -19.274 616 1HZ LYS 77 HZ1 LYS 77 -28.719 -3.066 -22.012 617 2HZ LYS 77 HZ3 LYS 77 -29.574 -4.504 -21.682 618 3HZ LYS 77 HZ2 LYS 77 -30.288 -2.991 -21.350 619 H LEU 78 HN LEU 78 -23.936 -5.414 -16.293 620 HA LEU 78 HA LEU 78 -23.906 -8.247 -17.122 621 1HB LEU 78 HB2 LEU 78 -22.168 -6.671 -15.476 622 2HB LEU 78 HB1 LEU 78 -22.900 -7.911 -14.479 623 HG LEU 78 HG LEU 78 -21.352 -8.305 -17.034 624 1HD1 LEU 78 HD21 LEU 78 -20.745 -8.565 -14.149 625 2HD1 LEU 78 HD23 LEU 78 -20.138 -9.847 -15.195 626 3HD1 LEU 78 HD22 LEU 78 -19.682 -8.173 -15.505 627 1HD2 LEU 78 HD13 LEU 78 -23.329 -10.013 -15.755 628 2HD2 LEU 78 HD12 LEU 78 -22.551 -10.174 -17.334 629 3HD2 LEU 78 HD11 LEU 78 -21.757 -10.800 -15.883 630 H ARG 79 HN ARG 79 -25.744 -9.235 -16.711 631 HA ARG 79 HA ARG 79 -27.408 -8.396 -14.422 632 1HB ARG 79 HB2 ARG 79 -28.074 -9.910 -16.956 633 2HB ARG 79 HB1 ARG 79 -29.210 -9.623 -15.638 634 1HG ARG 79 HG2 ARG 79 -28.936 -7.208 -15.900 635 2HG ARG 79 HG1 ARG 79 -27.758 -7.464 -17.180 636 1HD ARG 79 HD2 ARG 79 -29.419 -8.356 -18.650 637 2HD ARG 79 HD1 ARG 79 -30.609 -8.461 -17.349 638 HE ARG 79 HE ARG 79 -29.573 -5.781 -17.976 639 1HH1 ARG 79 HH21 ARG 79 -31.931 -5.425 -16.599 640 2HH1 ARG 79 HH22 ARG 79 -33.239 -5.457 -17.762 641 1HH2 ARG 79 HH11 ARG 79 -31.286 -7.021 -20.268 642 2HH2 ARG 79 HH12 ARG 79 -32.861 -6.365 -19.879 643 H LEU 80 HN LEU 80 -26.739 -9.489 -12.727 644 HA LEU 80 HA LEU 80 -25.824 -12.234 -12.811 645 1HB LEU 80 HB2 LEU 80 -26.540 -10.653 -10.343 646 2HB LEU 80 HB1 LEU 80 -25.417 -11.996 -10.477 647 HG LEU 80 HG LEU 80 -25.071 -9.185 -11.528 648 1HD1 LEU 80 HD13 LEU 80 -24.610 -9.869 -9.069 649 2HD1 LEU 80 HD12 LEU 80 -23.175 -10.648 -9.735 650 3HD1 LEU 80 HD11 LEU 80 -23.408 -8.910 -9.937 651 1HD2 LEU 80 HD22 LEU 80 -23.493 -11.669 -12.132 652 2HD2 LEU 80 HD21 LEU 80 -24.107 -10.446 -13.248 653 3HD2 LEU 80 HD23 LEU 80 -22.748 -10.067 -12.187 654 H SER 81 HN SER 81 -26.962 -14.045 -12.255 655 HA SER 81 HA SER 81 -29.862 -13.860 -12.142 656 1HB SER 81 HB2 SER 81 -28.091 -16.300 -11.872 657 2HB SER 81 HB1 SER 81 -29.815 -16.278 -12.237 658 HG SER 81 HG SER 81 -27.849 -15.025 -13.879 659 H ASP 82 HN ASP 82 -28.582 -12.599 -9.964 660 HA ASP 82 HA ASP 82 -29.687 -14.125 -7.695 661 1HB ASP 82 HB2 ASP 82 -27.048 -14.171 -7.964 662 2HB ASP 82 HB1 ASP 82 -27.155 -12.545 -7.290 663 H GLY 83 HN GLY 83 -30.641 -11.907 -9.378 664 1HA GLY 83 HA2 GLY 83 -31.824 -9.957 -9.134 665 2HA GLY 83 HA1 GLY 83 -31.734 -10.211 -7.394 666 H ASN 84 HN ASN 84 -29.330 -9.469 -9.985 667 HA ASN 84 HA ASN 84 -28.587 -6.955 -8.663 668 1HB ASN 84 HB2 ASN 84 -26.986 -9.431 -8.606 669 2HB ASN 84 HB1 ASN 84 -26.109 -8.065 -9.285 670 1HD2 ASN 84 HD22 ASN 84 -27.500 -7.512 -5.450 671 2HD2 ASN 84 HD21 ASN 84 -28.547 -8.182 -6.666 672 H GLU 85 HN GLU 85 -27.839 -5.452 -10.115 673 HA GLU 85 HA GLU 85 -27.285 -6.258 -12.905 674 1HB GLU 85 HB2 GLU 85 -29.366 -4.275 -11.965 675 2HB GLU 85 HB1 GLU 85 -28.684 -4.216 -13.588 676 1HG GLU 85 HG2 GLU 85 -29.406 -6.624 -13.867 677 2HG GLU 85 HG1 GLU 85 -30.279 -6.465 -12.344 678 H TYR 86 HN TYR 86 -25.284 -5.490 -13.281 679 HA TYR 86 HA TYR 86 -24.502 -2.825 -12.205 680 1HB TYR 86 HB2 TYR 86 -22.819 -5.305 -12.615 681 2HB TYR 86 HB1 TYR 86 -22.151 -3.717 -12.274 682 HD1 TYR 86 HD1 TYR 86 -22.855 -2.572 -10.094 683 HD2 TYR 86 HD2 TYR 86 -23.454 -6.721 -10.884 684 HE1 TYR 86 HE1 TYR 86 -23.042 -3.007 -7.674 685 HE2 TYR 86 HE2 TYR 86 -23.637 -7.157 -8.471 686 HH TYR 86 HH TYR 86 -24.249 -4.911 -6.222 687 H LEU 87 HN LEU 87 -23.551 -1.396 -13.594 688 HA LEU 87 HA LEU 87 -23.386 -2.130 -16.454 689 1HB LEU 87 HB2 LEU 87 -23.339 0.577 -15.082 690 2HB LEU 87 HB1 LEU 87 -23.154 0.333 -16.813 691 HG LEU 87 HG LEU 87 -25.585 -0.163 -15.112 692 1HD1 LEU 87 HD12 LEU 87 -24.935 2.118 -16.186 693 2HD1 LEU 87 HD11 LEU 87 -25.460 1.361 -17.695 694 3HD1 LEU 87 HD13 LEU 87 -26.594 1.532 -16.351 695 1HD2 LEU 87 HD21 LEU 87 -24.906 -1.246 -17.826 696 2HD2 LEU 87 HD23 LEU 87 -25.672 -2.057 -16.460 697 3HD2 LEU 87 HD22 LEU 87 -26.578 -0.879 -17.404 698 H PHE 88 HN PHE 88 -21.406 -2.695 -17.161 699 HA PHE 88 HA PHE 88 -19.026 -1.661 -15.735 700 1HB PHE 88 HB2 PHE 88 -19.550 -4.226 -17.197 701 2HB PHE 88 HB1 PHE 88 -17.909 -3.654 -16.941 702 HD1 PHE 88 HD1 PHE 88 -17.135 -3.202 -14.582 703 HD2 PHE 88 HD2 PHE 88 -20.709 -5.328 -15.494 704 HE1 PHE 88 HE1 PHE 88 -17.145 -4.140 -12.317 705 HE2 PHE 88 HE2 PHE 88 -20.728 -6.284 -13.224 706 HZ PHE 88 HZ PHE 88 -18.954 -5.693 -11.632 707 H GLN 89 HN GLN 89 -17.359 -0.752 -16.907 708 HA GLN 89 HA GLN 89 -17.747 -0.458 -19.811 709 1HB GLN 89 HB2 GLN 89 -18.563 1.594 -19.333 710 2HB GLN 89 HB1 GLN 89 -17.822 1.642 -17.749 711 1HG GLN 89 HG2 GLN 89 -15.708 2.327 -18.656 712 2HG GLN 89 HG1 GLN 89 -16.275 2.047 -20.308 713 1HE2 GLN 89 HE22 GLN 89 -17.975 5.215 -18.297 714 2HE2 GLN 89 HE21 GLN 89 -17.661 3.717 -17.483 715 H ALA 90 HN ALA 90 -16.002 -0.699 -20.963 716 HA ALA 90 HA ALA 90 -13.398 -1.097 -19.641 717 1HB ALA 90 HB3 ALA 90 -14.434 -1.913 -22.367 718 2HB ALA 90 HB2 ALA 90 -12.806 -2.235 -21.771 719 3HB ALA 90 HB1 ALA 90 -14.196 -2.966 -20.974 720 H LYS 91 HN LYS 91 -11.532 -0.571 -21.323 721 HA LYS 91 HA LYS 91 -11.793 2.304 -21.922 722 1HB LYS 91 HB2 LYS 91 -9.358 0.522 -21.905 723 2HB LYS 91 HB1 LYS 91 -9.354 2.267 -22.111 724 1HG LYS 91 HG2 LYS 91 -9.226 2.491 -19.887 725 2HG LYS 91 HG1 LYS 91 -10.832 1.785 -19.758 726 1HD LYS 91 HD2 LYS 91 -9.186 0.622 -18.341 727 2HD LYS 91 HD1 LYS 91 -9.878 -0.441 -19.555 728 1HE LYS 91 HE2 LYS 91 -7.386 0.946 -20.359 729 2HE LYS 91 HE1 LYS 91 -7.209 -0.227 -19.060 730 1HZ LYS 91 HZ1 LYS 91 -8.814 -1.412 -20.986 731 2HZ LYS 91 HZ3 LYS 91 -7.532 -0.670 -21.828 732 3HZ LYS 91 HZ2 LYS 91 -7.197 -1.804 -20.591 733 H ASP 92 HN ASP 92 -11.126 -0.765 -23.558 734 HA ASP 92 HA ASP 92 -11.327 0.627 -26.176 735 1HB ASP 92 HB2 ASP 92 -8.978 -0.180 -25.511 736 2HB ASP 92 HB1 ASP 92 -9.600 -1.813 -25.712 737 H ASP 93 HN ASP 93 -12.059 -0.717 -27.943 738 HA ASP 93 HA ASP 93 -14.428 -2.187 -27.429 739 1HB ASP 93 HB2 ASP 93 -14.063 -0.981 -29.526 740 2HB ASP 93 HB1 ASP 93 -12.694 -2.014 -29.919 741 H GLU 94 HN GLU 94 -11.115 -3.181 -28.216 742 HA GLU 94 HA GLU 94 -11.576 -5.971 -28.460 743 1HB GLU 94 HB2 GLU 94 -9.063 -4.490 -27.644 744 2HB GLU 94 HB1 GLU 94 -9.138 -6.184 -28.133 745 1HG GLU 94 HG2 GLU 94 -10.063 -5.464 -30.337 746 2HG GLU 94 HG1 GLU 94 -9.843 -3.784 -29.849 747 H GLU 95 HN GLU 95 -10.776 -3.915 -25.702 748 HA GLU 95 HA GLU 95 -10.433 -5.987 -23.775 749 1HB GLU 95 HB2 GLU 95 -9.795 -3.442 -23.690 750 2HB GLU 95 HB1 GLU 95 -11.426 -3.246 -23.056 751 1HG GLU 95 HG2 GLU 95 -10.705 -5.197 -21.437 752 2HG GLU 95 HG1 GLU 95 -9.078 -4.672 -21.860 753 H MET 96 HN MET 96 -13.187 -3.892 -24.639 754 HA MET 96 HA MET 96 -15.091 -4.835 -22.805 755 1HB MET 96 HB2 MET 96 -15.308 -2.833 -24.316 756 2HB MET 96 HB1 MET 96 -15.646 -3.936 -25.645 757 1HG MET 96 HG2 MET 96 -17.530 -4.854 -24.123 758 2HG MET 96 HG1 MET 96 -17.289 -3.390 -23.184 759 1HE MET 96 HE2 MET 96 -17.916 -4.932 -26.560 760 2HE MET 96 HE1 MET 96 -18.954 -3.797 -27.419 761 3HE MET 96 HE3 MET 96 -17.204 -3.533 -27.365 762 H ASN 97 HN ASN 97 -14.283 -6.003 -26.055 763 HA ASN 97 HA ASN 97 -16.236 -8.046 -26.231 764 1HB ASN 97 HB2 ASN 97 -14.640 -6.976 -28.036 765 2HB ASN 97 HB1 ASN 97 -13.552 -8.277 -27.571 766 1HD2 ASN 97 HD22 ASN 97 -16.802 -8.998 -29.881 767 2HD2 ASN 97 HD21 ASN 97 -16.415 -7.418 -29.266 768 H THR 98 HN THR 98 -12.899 -8.033 -25.013 769 HA THR 98 HA THR 98 -12.699 -10.835 -24.531 770 HB THR 98 HB THR 98 -11.201 -8.607 -23.124 771 HG1 THR 98 HG1 THR 98 -10.966 -8.373 -25.365 772 1HG2 THR 98 HG23 THR 98 -10.965 -11.544 -23.174 773 2HG2 THR 98 HG22 THR 98 -9.455 -10.679 -23.456 774 3HG2 THR 98 HG21 THR 98 -10.383 -10.381 -21.986 775 H TRP 99 HN TRP 99 -13.683 -8.095 -22.482 776 HA TRP 99 HA TRP 99 -13.963 -9.516 -20.049 777 1HB TRP 99 HB2 TRP 99 -15.010 -6.918 -21.114 778 2HB TRP 99 HB1 TRP 99 -15.700 -7.560 -19.632 779 HD1 TRP 99 HD1 TRP 99 -12.956 -5.378 -20.752 780 HE1 TRP 99 HE1 TRP 99 -11.260 -5.042 -18.875 781 HE3 TRP 99 HE3 TRP 99 -14.448 -9.102 -17.564 782 HZ2 TRP 99 HZ2 TRP 99 -10.607 -6.176 -16.384 783 HZ3 TRP 99 HZ3 TRP 99 -13.231 -9.419 -15.441 784 HH2 TRP 99 HH2 TRP 99 -11.329 -7.968 -14.857 785 H ILE 100 HN ILE 100 -16.422 -8.646 -22.494 786 HA ILE 100 HA ILE 100 -18.636 -9.878 -21.264 787 HB ILE 100 HB ILE 100 -18.041 -9.267 -24.160 788 1HG1 ILE 100 HG12 ILE 100 -19.805 -7.891 -22.121 789 2HG1 ILE 100 HG11 ILE 100 -18.210 -7.341 -22.613 790 1HG2 ILE 100 HG21 ILE 100 -20.542 -10.364 -22.887 791 2HG2 ILE 100 HG23 ILE 100 -20.590 -9.432 -24.383 792 3HG2 ILE 100 HG22 ILE 100 -19.691 -10.945 -24.320 793 1HD1 ILE 100 HD12 ILE 100 -19.031 -7.090 -24.939 794 2HD1 ILE 100 HD11 ILE 100 -20.634 -7.603 -24.410 795 3HD1 ILE 100 HD13 ILE 100 -19.949 -6.095 -23.807 796 H GLN 101 HN GLN 101 -16.236 -11.200 -23.533 797 HA GLN 101 HA GLN 101 -17.519 -13.757 -23.802 798 1HB GLN 101 HB2 GLN 101 -14.722 -12.801 -24.439 799 2HB GLN 101 HB1 GLN 101 -15.291 -14.431 -24.790 800 1HG GLN 101 HG2 GLN 101 -16.674 -11.936 -25.812 801 2HG GLN 101 HG1 GLN 101 -15.422 -12.783 -26.721 802 1HE2 GLN 101 HE22 GLN 101 -18.859 -13.975 -27.698 803 2HE2 GLN 101 HE21 GLN 101 -18.124 -12.408 -27.558 804 H ALA 102 HN ALA 102 -14.833 -12.534 -21.807 805 HA ALA 102 HA ALA 102 -14.034 -14.955 -20.625 806 1HB ALA 102 HB1 ALA 102 -12.745 -12.871 -20.446 807 2HB ALA 102 HB3 ALA 102 -14.001 -12.178 -19.414 808 3HB ALA 102 HB2 ALA 102 -13.061 -13.564 -18.853 809 H ILE 103 HN ILE 103 -16.608 -12.712 -19.721 810 HA ILE 103 HA ILE 103 -17.322 -13.870 -17.227 811 HB ILE 103 HB ILE 103 -18.745 -12.154 -19.244 812 1HG1 ILE 103 HG12 ILE 103 -18.133 -11.371 -16.425 813 2HG1 ILE 103 HG11 ILE 103 -16.799 -11.470 -17.568 814 1HG2 ILE 103 HG23 ILE 103 -19.874 -13.367 -16.741 815 2HG2 ILE 103 HG22 ILE 103 -20.389 -11.767 -17.260 816 3HG2 ILE 103 HG21 ILE 103 -20.635 -13.152 -18.321 817 1HD1 ILE 103 HD13 ILE 103 -18.653 -10.039 -19.000 818 2HD1 ILE 103 HD12 ILE 103 -18.947 -9.486 -17.353 819 3HD1 ILE 103 HD11 ILE 103 -17.336 -9.334 -18.056 820 H SER 104 HN SER 104 -18.101 -14.746 -20.546 821 HA SER 104 HA SER 104 -20.140 -16.696 -19.694 822 1HB SER 104 HB2 SER 104 -19.209 -16.072 -22.501 823 2HB SER 104 HB1 SER 104 -20.690 -16.889 -22.012 824 HG SER 104 HG SER 104 -21.545 -14.986 -21.318 825 H SER 105 HN SER 105 -16.789 -16.612 -20.384 826 HA SER 105 HA SER 105 -16.705 -19.498 -21.055 827 1HB SER 105 HB2 SER 105 -14.433 -17.540 -21.365 828 2HB SER 105 HB1 SER 105 -14.635 -19.119 -22.122 829 HG SER 105 HG SER 105 -16.073 -16.722 -22.651 830 H ALA 106 HN ALA 106 -16.083 -17.386 -18.437 831 HA ALA 106 HA ALA 106 -14.448 -19.468 -17.096 832 1HB ALA 106 HB3 ALA 106 -13.075 -17.484 -17.770 833 2HB ALA 106 HB2 ALA 106 -14.105 -16.482 -16.744 834 3HB ALA 106 HB1 ALA 106 -13.123 -17.763 -16.029 No H/Q in entry = 834 Start of MODEL 14 1 1H MET 1 HT2 MET 1 -6.783 -12.727 -15.766 2 2H MET 1 HT1 MET 1 -7.498 -14.163 -15.190 3 3H MET 1 HT3 MET 1 -7.283 -13.930 -16.866 4 HA MET 1 HA MET 1 -8.967 -12.397 -17.033 5 1HB MET 1 HB2 MET 1 -9.811 -14.327 -14.851 6 2HB MET 1 HB1 MET 1 -10.916 -13.353 -15.814 7 1HG MET 1 HG2 MET 1 -10.201 -14.476 -17.845 8 2HG MET 1 HG1 MET 1 -8.995 -15.391 -16.951 9 1HE MET 1 HE2 MET 1 -9.525 -17.300 -15.232 10 2HE MET 1 HE1 MET 1 -10.730 -18.445 -15.817 11 3HE MET 1 HE3 MET 1 -9.471 -17.845 -16.906 12 H GLU 2 HN GLU 2 -7.477 -10.686 -15.933 13 HA GLU 2 HA GLU 2 -9.000 -9.508 -13.676 14 1HB GLU 2 HB2 GLU 2 -5.976 -9.509 -13.866 15 2HB GLU 2 HB1 GLU 2 -6.959 -8.798 -12.592 16 1HG GLU 2 HG2 GLU 2 -7.773 -11.061 -11.986 17 2HG GLU 2 HG1 GLU 2 -6.694 -11.747 -13.198 18 H GLY 3 HN GLY 3 -8.662 -7.185 -13.474 19 1HA GLY 3 HA2 GLY 3 -7.235 -5.440 -14.959 20 2HA GLY 3 HA1 GLY 3 -8.539 -5.876 -16.062 21 H PHE 4 HN PHE 4 -8.269 -3.279 -15.266 22 HA PHE 4 HA PHE 4 -10.149 -2.750 -13.076 23 1HB PHE 4 HB2 PHE 4 -8.297 -1.086 -14.721 24 2HB PHE 4 HB1 PHE 4 -9.675 -0.310 -13.972 25 HD1 PHE 4 HD1 PHE 4 -9.967 -0.490 -11.454 26 HD2 PHE 4 HD2 PHE 4 -6.356 -1.561 -13.474 27 HE1 PHE 4 HE1 PHE 4 -8.727 -0.339 -9.331 28 HE2 PHE 4 HE2 PHE 4 -5.119 -1.402 -11.352 29 HZ PHE 4 HZ PHE 4 -6.328 -0.717 -9.273 30 H LEU 5 HN LEU 5 -12.138 -1.933 -13.344 31 HA LEU 5 HA LEU 5 -13.165 -1.306 -16.027 32 1HB LEU 5 HB2 LEU 5 -14.168 -3.516 -14.227 33 2HB LEU 5 HB1 LEU 5 -15.245 -2.707 -15.352 34 HG LEU 5 HG LEU 5 -12.727 -4.175 -16.120 35 1HD1 LEU 5 HD13 LEU 5 -15.616 -4.955 -16.064 36 2HD1 LEU 5 HD12 LEU 5 -14.532 -5.656 -17.262 37 3HD1 LEU 5 HD11 LEU 5 -14.200 -5.869 -15.546 38 1HD2 LEU 5 HD21 LEU 5 -14.612 -2.446 -17.614 39 2HD2 LEU 5 HD23 LEU 5 -12.899 -2.770 -17.902 40 3HD2 LEU 5 HD22 LEU 5 -14.119 -3.941 -18.410 41 H ASN 6 HN ASN 6 -14.792 0.186 -15.996 42 HA ASN 6 HA ASN 6 -15.300 1.650 -13.536 43 1HB ASN 6 HB2 ASN 6 -15.282 2.317 -16.250 44 2HB ASN 6 HB1 ASN 6 -16.990 2.309 -15.842 45 1HD2 ASN 6 HD22 ASN 6 -15.655 5.713 -15.239 46 2HD2 ASN 6 HD21 ASN 6 -15.728 4.628 -16.594 47 H ARG 7 HN ARG 7 -16.826 0.941 -12.131 48 HA ARG 7 HA ARG 7 -19.010 -0.768 -13.182 49 1HB ARG 7 HB2 ARG 7 -17.314 -1.748 -11.578 50 2HB ARG 7 HB1 ARG 7 -17.985 -0.684 -10.348 51 1HG ARG 7 HG2 ARG 7 -20.193 -1.704 -10.627 52 2HG ARG 7 HG1 ARG 7 -19.579 -2.718 -11.927 53 1HD ARG 7 HD2 ARG 7 -19.721 -3.993 -9.842 54 2HD ARG 7 HD1 ARG 7 -18.039 -3.821 -10.338 55 HE ARG 7 HE ARG 7 -17.670 -2.751 -8.332 56 1HH1 ARG 7 HH21 ARG 7 -19.085 -0.208 -8.727 57 2HH1 ARG 7 HH22 ARG 7 -20.356 -0.234 -7.530 58 1HH2 ARG 7 HH11 ARG 7 -20.155 -3.719 -7.035 59 2HH2 ARG 7 HH12 ARG 7 -20.975 -2.257 -6.566 60 H LYS 8 HN LYS 8 -20.876 0.213 -13.321 61 HA LYS 8 HA LYS 8 -21.669 2.296 -11.366 62 1HB LYS 8 HB2 LYS 8 -21.711 2.706 -13.929 63 2HB LYS 8 HB1 LYS 8 -23.123 1.669 -13.929 64 1HG LYS 8 HG2 LYS 8 -23.950 3.251 -12.013 65 2HG LYS 8 HG1 LYS 8 -22.749 4.363 -12.656 66 1HD LYS 8 HD2 LYS 8 -24.231 4.995 -14.229 67 2HD LYS 8 HD1 LYS 8 -24.183 3.366 -14.888 68 1HE LYS 8 HE2 LYS 8 -26.018 2.673 -13.456 69 2HE LYS 8 HE1 LYS 8 -25.999 4.228 -12.626 70 1HZ LYS 8 HZ3 LYS 8 -26.461 4.069 -15.541 71 2HZ LYS 8 HZ2 LYS 8 -27.737 3.858 -14.436 72 3HZ LYS 8 HZ1 LYS 8 -26.859 5.321 -14.458 73 H HIS 9 HN HIS 9 -23.494 1.967 -10.150 74 HA HIS 9 HA HIS 9 -24.822 -0.666 -10.422 75 1HB HIS 9 HB2 HIS 9 -25.338 -0.477 -7.996 76 2HB HIS 9 HB1 HIS 9 -23.628 -0.609 -8.365 77 HD1 HIS 9 HD1 HIS 9 -24.337 0.421 -5.683 78 HD2 HIS 9 HD2 HIS 9 -23.899 2.957 -8.921 79 HE1 HIS 9 HE1 HIS 9 -23.749 2.640 -4.690 80 H GLU 10 HN GLU 10 -26.718 -0.487 -11.337 81 HA GLU 10 HA GLU 10 -28.353 1.943 -11.042 82 1HB GLU 10 HB2 GLU 10 -27.877 0.740 -13.281 83 2HB GLU 10 HB1 GLU 10 -29.017 -0.477 -12.719 84 1HG GLU 10 HG2 GLU 10 -30.456 0.905 -13.875 85 2HG GLU 10 HG1 GLU 10 -30.556 1.644 -12.277 86 H TRP 11 HN TRP 11 -28.431 -1.528 -10.450 87 HA TRP 11 HA TRP 11 -30.602 -1.198 -8.477 88 1HB TRP 11 HB2 TRP 11 -31.468 -2.055 -10.691 89 2HB TRP 11 HB1 TRP 11 -30.431 -3.456 -10.491 90 HD1 TRP 11 HD1 TRP 11 -33.466 -1.766 -8.712 91 HE1 TRP 11 HE1 TRP 11 -34.796 -3.630 -7.569 92 HE3 TRP 11 HE3 TRP 11 -30.405 -5.763 -9.671 93 HZ2 TRP 11 HZ2 TRP 11 -34.603 -6.391 -7.112 94 HZ3 TRP 11 HZ3 TRP 11 -31.043 -7.994 -8.850 95 HH2 TRP 11 HH2 TRP 11 -33.123 -8.307 -7.578 96 H GLU 12 HN GLU 12 -29.927 -1.983 -6.571 97 HA GLU 12 HA GLU 12 -28.204 -4.353 -6.456 98 1HB GLU 12 HB2 GLU 12 -26.667 -3.203 -4.838 99 2HB GLU 12 HB1 GLU 12 -26.558 -2.617 -6.495 100 1HG GLU 12 HG2 GLU 12 -27.882 -0.659 -5.949 101 2HG GLU 12 HG1 GLU 12 -28.171 -1.256 -4.316 102 H ALA 13 HN ALA 13 -30.998 -3.581 -5.710 103 HA ALA 13 HA ALA 13 -31.204 -5.067 -3.319 104 1HB ALA 13 HB3 ALA 13 -31.308 -2.066 -3.059 105 2HB ALA 13 HB2 ALA 13 -32.227 -3.102 -1.964 106 3HB ALA 13 HB1 ALA 13 -30.471 -3.236 -2.036 107 H HIS 14 HN HIS 14 -33.330 -5.640 -2.916 108 HA HIS 14 HA HIS 14 -35.148 -5.425 -5.101 109 1HB HIS 14 HB2 HIS 14 -35.418 -6.505 -2.294 110 2HB HIS 14 HB1 HIS 14 -36.780 -6.475 -3.408 111 HD1 HIS 14 HD1 HIS 14 -36.835 -8.226 -5.246 112 HD2 HIS 14 HD2 HIS 14 -33.306 -8.325 -3.081 113 HE1 HIS 14 HE1 HIS 14 -35.710 -10.352 -5.934 114 H ASN 15 HN ASN 15 -36.200 -3.631 -5.626 115 HA ASN 15 HA ASN 15 -37.639 -1.860 -5.521 116 1HB ASN 15 HB2 ASN 15 -38.748 -3.352 -3.681 117 2HB ASN 15 HB1 ASN 15 -38.033 -2.204 -2.552 118 1HD2 ASN 15 HD22 ASN 15 -40.631 0.062 -2.968 119 2HD2 ASN 15 HD21 ASN 15 -39.381 -0.627 -1.985 120 H LYS 16 HN LYS 16 -34.778 -1.616 -5.110 121 HA LYS 16 HA LYS 16 -34.704 1.112 -4.074 122 1HB LYS 16 HB2 LYS 16 -33.316 -1.205 -2.787 123 2HB LYS 16 HB1 LYS 16 -32.472 0.338 -2.857 124 1HG LYS 16 HG2 LYS 16 -34.559 1.364 -1.819 125 2HG LYS 16 HG1 LYS 16 -35.109 -0.285 -1.521 126 1HD LYS 16 HD2 LYS 16 -33.074 -0.732 -0.216 127 2HD LYS 16 HD1 LYS 16 -32.505 0.908 -0.518 128 1HE LYS 16 HE2 LYS 16 -35.217 0.620 0.683 129 2HE LYS 16 HE1 LYS 16 -33.845 0.213 1.708 130 1HZ LYS 16 HZ2 LYS 16 -33.665 2.715 0.220 131 2HZ LYS 16 HZ1 LYS 16 -34.797 2.665 1.500 132 3HZ LYS 16 HZ3 LYS 16 -33.159 2.345 1.799 133 H LYS 17 HN LYS 17 -33.058 2.334 -4.968 134 HA LYS 17 HA LYS 17 -31.227 1.018 -6.892 135 1HB LYS 17 HB2 LYS 17 -31.632 2.832 -8.506 136 2HB LYS 17 HB1 LYS 17 -33.083 1.891 -8.194 137 1HG LYS 17 HG2 LYS 17 -34.000 3.615 -6.793 138 2HG LYS 17 HG1 LYS 17 -32.490 4.518 -6.808 139 1HD LYS 17 HD2 LYS 17 -33.899 3.908 -9.391 140 2HD LYS 17 HD1 LYS 17 -34.462 5.240 -8.386 141 1HE LYS 17 HE2 LYS 17 -31.611 4.941 -9.360 142 2HE LYS 17 HE1 LYS 17 -32.833 5.910 -10.174 143 1HZ LYS 17 HZ3 LYS 17 -32.938 6.764 -7.589 144 2HZ LYS 17 HZ2 LYS 17 -31.274 6.516 -7.858 145 3HZ LYS 17 HZ1 LYS 17 -32.150 7.558 -8.881 146 H ALA 18 HN ALA 18 -29.709 2.905 -7.766 147 HA ALA 18 HA ALA 18 -28.322 3.927 -5.399 148 1HB ALA 18 HB2 ALA 18 -27.184 2.659 -7.286 149 2HB ALA 18 HB1 ALA 18 -27.413 4.100 -8.277 150 3HB ALA 18 HB3 ALA 18 -26.428 4.182 -6.815 151 H SER 19 HN SER 19 -27.005 6.127 -6.310 152 HA SER 19 HA SER 19 -29.028 8.173 -6.145 153 1HB SER 19 HB2 SER 19 -26.063 8.542 -6.636 154 2HB SER 19 HB1 SER 19 -27.201 9.722 -5.989 155 HG SER 19 HG SER 19 -26.423 8.943 -4.150 156 H SER 20 HN SER 20 -26.309 8.121 -8.488 157 HA SER 20 HA SER 20 -27.962 8.068 -10.808 158 1HB SER 20 HB2 SER 20 -27.441 10.496 -11.479 159 2HB SER 20 HB1 SER 20 -28.708 10.241 -10.283 160 HG SER 20 HG SER 20 -27.476 11.092 -8.730 161 H ARG 21 HN ARG 21 -25.266 10.264 -10.401 162 HA ARG 21 HA ARG 21 -23.704 8.930 -12.455 163 1HB ARG 21 HB2 ARG 21 -23.974 11.477 -11.991 164 2HB ARG 21 HB1 ARG 21 -22.743 11.224 -10.760 165 1HG ARG 21 HG2 ARG 21 -21.701 9.946 -13.007 166 2HG ARG 21 HG1 ARG 21 -22.480 11.375 -13.672 167 1HD ARG 21 HD2 ARG 21 -20.343 11.290 -11.530 168 2HD ARG 21 HD1 ARG 21 -20.188 11.928 -13.169 169 HE ARG 21 HE ARG 21 -22.140 13.496 -12.265 170 1HH1 ARG 21 HH11 ARG 21 -21.069 12.559 -9.430 171 2HH1 ARG 21 HH12 ARG 21 -20.123 13.965 -9.002 172 1HH2 ARG 21 HH21 ARG 21 -19.996 15.208 -12.303 173 2HH2 ARG 21 HH22 ARG 21 -19.476 15.451 -10.651 174 H SER 22 HN SER 22 -24.082 7.314 -10.117 175 HA SER 22 HA SER 22 -21.641 7.329 -8.549 176 1HB SER 22 HB2 SER 22 -23.763 5.180 -8.663 177 2HB SER 22 HB1 SER 22 -22.619 5.501 -7.363 178 HG SER 22 HG SER 22 -24.569 6.395 -6.744 179 H TRP 23 HN TRP 23 -19.967 6.990 -9.996 180 HA TRP 23 HA TRP 23 -19.836 4.345 -11.361 181 1HB TRP 23 HB2 TRP 23 -18.950 7.090 -12.204 182 2HB TRP 23 HB1 TRP 23 -18.028 5.697 -12.750 183 HD1 TRP 23 HD1 TRP 23 -21.286 7.553 -13.421 184 HE1 TRP 23 HE1 TRP 23 -22.479 6.421 -15.385 185 HE3 TRP 23 HE3 TRP 23 -18.407 3.330 -13.890 186 HZ2 TRP 23 HZ2 TRP 23 -22.251 4.065 -16.934 187 HZ3 TRP 23 HZ3 TRP 23 -18.942 1.697 -15.647 188 HH2 TRP 23 HH2 TRP 23 -20.847 2.062 -17.161 189 H HIS 24 HN HIS 24 -18.559 3.048 -10.181 190 HA HIS 24 HA HIS 24 -16.218 4.163 -8.756 191 1HB HIS 24 HB2 HIS 24 -17.861 3.043 -7.348 192 2HB HIS 24 HB1 HIS 24 -17.804 1.612 -8.368 193 HD1 HIS 24 HD1 HIS 24 -14.706 3.384 -7.135 194 HD2 HIS 24 HD2 HIS 24 -16.814 -0.117 -6.505 195 HE1 HIS 24 HE1 HIS 24 -13.241 2.008 -5.640 196 H ASN 25 HN ASN 25 -14.234 3.693 -9.504 197 HA ASN 25 HA ASN 25 -13.875 1.782 -11.702 198 1HB ASN 25 HB2 ASN 25 -12.773 4.109 -11.578 199 2HB ASN 25 HB1 ASN 25 -11.713 3.425 -10.349 200 1HD2 ASN 25 HD22 ASN 25 -9.638 2.779 -13.156 201 2HD2 ASN 25 HD21 ASN 25 -9.961 3.864 -11.833 202 H VAL 26 HN VAL 26 -14.005 -0.246 -10.898 203 HA VAL 26 HA VAL 26 -12.371 -0.951 -8.534 204 HB VAL 26 HB VAL 26 -14.951 -1.136 -8.579 205 1HG1 VAL 26 HG13 VAL 26 -14.972 -2.370 -10.780 206 2HG1 VAL 26 HG12 VAL 26 -14.364 -3.774 -9.900 207 3HG1 VAL 26 HG11 VAL 26 -15.934 -3.086 -9.486 208 1HG2 VAL 26 HG21 VAL 26 -13.221 -2.150 -6.938 209 2HG2 VAL 26 HG23 VAL 26 -14.895 -2.705 -6.905 210 3HG2 VAL 26 HG22 VAL 26 -13.657 -3.677 -7.709 211 H TYR 27 HN TYR 27 -11.409 -3.036 -8.473 212 HA TYR 27 HA TYR 27 -10.315 -3.912 -11.068 213 1HB TYR 27 HB2 TYR 27 -8.850 -3.277 -9.077 214 2HB TYR 27 HB1 TYR 27 -9.443 -4.728 -8.287 215 HD1 TYR 27 HD1 TYR 27 -7.475 -3.447 -11.125 216 HD2 TYR 27 HD2 TYR 27 -8.617 -6.887 -8.881 217 HE1 TYR 27 HE1 TYR 27 -5.696 -4.746 -12.217 218 HE2 TYR 27 HE2 TYR 27 -6.841 -8.194 -9.985 219 HH TYR 27 HH TYR 27 -5.233 -8.211 -11.508 220 H CYS 28 HN CYS 28 -11.582 -5.433 -11.977 221 HA CYS 28 HA CYS 28 -13.042 -7.373 -10.328 222 1HB CYS 28 HB2 CYS 28 -13.081 -7.017 -13.332 223 2HB CYS 28 HB1 CYS 28 -14.223 -7.928 -12.351 224 HG CYS 28 HG CYS 28 -14.053 -4.908 -11.759 225 H VAL 29 HN VAL 29 -12.605 -9.503 -10.243 226 HA VAL 29 HA VAL 29 -10.511 -10.668 -11.969 227 HB VAL 29 HB VAL 29 -10.647 -10.951 -8.957 228 1HG1 VAL 29 HG12 VAL 29 -9.225 -12.443 -11.061 229 2HG1 VAL 29 HG11 VAL 29 -8.224 -11.939 -9.699 230 3HG1 VAL 29 HG13 VAL 29 -9.660 -12.928 -9.422 231 1HG2 VAL 29 HG21 VAL 29 -8.797 -9.387 -10.751 232 2HG2 VAL 29 HG23 VAL 29 -9.745 -8.811 -9.379 233 3HG2 VAL 29 HG22 VAL 29 -8.354 -9.859 -9.107 234 H ILE 30 HN ILE 30 -11.548 -12.291 -13.013 235 HA ILE 30 HA ILE 30 -13.816 -13.668 -11.792 236 HB ILE 30 HB ILE 30 -12.609 -14.499 -14.410 237 1HG1 ILE 30 HG12 ILE 30 -14.330 -12.034 -13.992 238 2HG1 ILE 30 HG11 ILE 30 -12.665 -12.061 -14.568 239 1HG2 ILE 30 HG22 ILE 30 -14.651 -15.550 -13.171 240 2HG2 ILE 30 HG21 ILE 30 -15.519 -14.146 -13.797 241 3HG2 ILE 30 HG23 ILE 30 -14.736 -15.266 -14.912 242 1HD1 ILE 30 HD11 ILE 30 -14.748 -13.608 -16.073 243 2HD1 ILE 30 HD13 ILE 30 -14.644 -11.860 -16.281 244 3HD1 ILE 30 HD12 ILE 30 -13.253 -12.875 -16.659 245 H ASN 31 HN ASN 31 -13.713 -15.625 -10.819 246 HA ASN 31 HA ASN 31 -11.283 -17.270 -11.172 247 1HB ASN 31 HB2 ASN 31 -11.419 -15.805 -8.985 248 2HB ASN 31 HB1 ASN 31 -12.556 -17.038 -8.452 249 1HD2 ASN 31 HD22 ASN 31 -10.015 -19.228 -7.534 250 2HD2 ASN 31 HD21 ASN 31 -11.648 -18.667 -7.360 251 H ASN 32 HN ASN 32 -13.608 -17.683 -12.560 252 HA ASN 32 HA ASN 32 -15.043 -19.341 -13.181 253 1HB ASN 32 HB2 ASN 32 -12.998 -20.719 -12.468 254 2HB ASN 32 HB1 ASN 32 -13.906 -21.095 -11.005 255 1HD2 ASN 32 HD22 ASN 32 -15.922 -23.484 -12.555 256 2HD2 ASN 32 HD21 ASN 32 -15.418 -22.682 -11.098 257 H GLN 33 HN GLN 33 -17.152 -19.235 -12.843 258 HA GLN 33 HA GLN 33 -19.210 -19.363 -11.873 259 1HB GLN 33 HB2 GLN 33 -18.020 -21.361 -10.681 260 2HB GLN 33 HB1 GLN 33 -18.071 -20.307 -9.269 261 1HG GLN 33 HG2 GLN 33 -20.496 -20.130 -9.443 262 2HG GLN 33 HG1 GLN 33 -20.479 -21.068 -10.936 263 1HE2 GLN 33 HE22 GLN 33 -19.806 -22.952 -7.344 264 2HE2 GLN 33 HE21 GLN 33 -19.485 -21.250 -7.532 265 H GLU 34 HN GLU 34 -16.675 -17.700 -10.117 266 HA GLU 34 HA GLU 34 -18.582 -15.635 -9.289 267 1HB GLU 34 HB2 GLU 34 -17.549 -15.557 -7.033 268 2HB GLU 34 HB1 GLU 34 -18.373 -17.078 -7.359 269 1HG GLU 34 HG2 GLU 34 -16.207 -18.140 -7.895 270 2HG GLU 34 HG1 GLU 34 -15.382 -16.630 -7.521 271 H MET 35 HN MET 35 -17.560 -13.619 -8.740 272 HA MET 35 HA MET 35 -14.829 -13.262 -9.819 273 1HB MET 35 HB2 MET 35 -15.484 -11.221 -10.912 274 2HB MET 35 HB1 MET 35 -16.549 -12.508 -11.466 275 1HG MET 35 HG2 MET 35 -18.245 -11.741 -9.784 276 2HG MET 35 HG1 MET 35 -17.196 -10.378 -9.420 277 1HE MET 35 HE3 MET 35 -16.306 -8.801 -11.079 278 2HE MET 35 HE2 MET 35 -16.251 -9.454 -12.718 279 3HE MET 35 HE1 MET 35 -17.310 -8.093 -12.353 280 H GLY 36 HN GLY 36 -13.549 -11.847 -8.702 281 1HA GLY 36 HA2 GLY 36 -14.560 -10.906 -6.091 282 2HA GLY 36 HA1 GLY 36 -12.880 -11.223 -6.492 283 H PHE 37 HN PHE 37 -14.616 -8.802 -5.587 284 HA PHE 37 HA PHE 37 -13.701 -6.805 -7.569 285 1HB PHE 37 HB2 PHE 37 -15.756 -6.672 -5.353 286 2HB PHE 37 HB1 PHE 37 -15.200 -5.257 -6.237 287 HD1 PHE 37 HD1 PHE 37 -15.199 -5.724 -8.942 288 HD2 PHE 37 HD2 PHE 37 -17.784 -7.522 -6.051 289 HE1 PHE 37 HE1 PHE 37 -16.863 -6.171 -10.701 290 HE2 PHE 37 HE2 PHE 37 -19.444 -7.965 -7.818 291 HZ PHE 37 HZ PHE 37 -18.983 -7.295 -10.141 292 H TYR 38 HN TYR 38 -11.607 -6.432 -7.050 293 HA TYR 38 HA TYR 38 -10.904 -5.819 -4.237 294 1HB TYR 38 HB2 TYR 38 -9.138 -6.571 -6.577 295 2HB TYR 38 HB1 TYR 38 -8.578 -6.226 -4.946 296 HD1 TYR 38 HD1 TYR 38 -9.174 -7.734 -3.073 297 HD2 TYR 38 HD2 TYR 38 -10.066 -8.693 -7.135 298 HE1 TYR 38 HE1 TYR 38 -9.512 -10.087 -2.442 299 HE2 TYR 38 HE2 TYR 38 -10.394 -11.054 -6.508 300 HH TYR 38 HH TYR 38 -11.111 -12.186 -3.937 301 H LYS 39 HN LYS 39 -8.873 -4.287 -4.241 302 HA LYS 39 HA LYS 39 -9.766 -1.737 -5.295 303 1HB LYS 39 HB2 LYS 39 -8.774 -2.169 -2.979 304 2HB LYS 39 HB1 LYS 39 -7.210 -2.299 -3.782 305 1HG LYS 39 HG2 LYS 39 -7.159 -0.057 -4.359 306 2HG LYS 39 HG1 LYS 39 -8.912 0.108 -4.310 307 1HD LYS 39 HD2 LYS 39 -8.807 0.869 -2.210 308 2HD LYS 39 HD1 LYS 39 -8.015 -0.614 -1.688 309 1HE LYS 39 HE2 LYS 39 -6.560 1.728 -2.930 310 2HE LYS 39 HE1 LYS 39 -6.736 1.489 -1.194 311 1HZ LYS 39 HZ2 LYS 39 -5.770 -0.893 -1.946 312 2HZ LYS 39 HZ1 LYS 39 -5.014 0.128 -3.083 313 3HZ LYS 39 HZ3 LYS 39 -4.804 0.407 -1.414 314 H ASP 40 HN ASP 40 -7.117 -4.008 -5.859 315 HA ASP 40 HA ASP 40 -6.649 -3.101 -8.521 316 1HB ASP 40 HB2 ASP 40 -4.512 -2.099 -8.343 317 2HB ASP 40 HB1 ASP 40 -5.474 -1.316 -7.098 318 H ALA 41 HN ALA 41 -4.115 -4.041 -8.981 319 HA ALA 41 HA ALA 41 -4.469 -6.862 -9.029 320 1HB ALA 41 HB3 ALA 41 -3.124 -5.565 -10.678 321 2HB ALA 41 HB2 ALA 41 -1.897 -5.315 -9.432 322 3HB ALA 41 HB1 ALA 41 -2.261 -6.947 -10.004 323 H LYS 42 HN LYS 42 -2.562 -4.735 -6.923 324 HA LYS 42 HA LYS 42 -1.153 -6.757 -5.498 325 1HB LYS 42 HB2 LYS 42 -1.983 -3.967 -4.651 326 2HB LYS 42 HB1 LYS 42 -0.855 -4.983 -3.768 327 1HG LYS 42 HG2 LYS 42 0.558 -5.064 -5.865 328 2HG LYS 42 HG1 LYS 42 -0.503 -3.836 -6.544 329 1HD LYS 42 HD2 LYS 42 0.445 -3.127 -3.870 330 2HD LYS 42 HD1 LYS 42 1.768 -3.379 -5.003 331 1HE LYS 42 HE2 LYS 42 1.083 -1.042 -5.009 332 2HE LYS 42 HE1 LYS 42 0.735 -1.776 -6.568 333 1HZ LYS 42 HZ3 LYS 42 -1.585 -2.140 -5.670 334 2HZ LYS 42 HZ2 LYS 42 -1.160 -1.069 -4.412 335 3HZ LYS 42 HZ1 LYS 42 -1.146 -0.529 -6.028 336 H SER 43 HN SER 43 -4.200 -5.050 -4.851 337 HA SER 43 HA SER 43 -4.862 -6.268 -2.386 338 1HB SER 43 HB2 SER 43 -5.915 -4.210 -3.236 339 2HB SER 43 HB1 SER 43 -6.686 -5.132 -4.521 340 HG SER 43 HG SER 43 -7.301 -6.352 -2.263 341 H ALA 44 HN ALA 44 -5.447 -7.258 -5.730 342 HA ALA 44 HA ALA 44 -7.187 -9.463 -5.067 343 1HB ALA 44 HB3 ALA 44 -5.694 -8.774 -7.609 344 2HB ALA 44 HB2 ALA 44 -6.892 -10.063 -7.456 345 3HB ALA 44 HB1 ALA 44 -7.372 -8.381 -7.231 346 H ALA 45 HN ALA 45 -3.789 -9.183 -6.115 347 HA ALA 45 HA ALA 45 -3.161 -11.932 -6.095 348 1HB ALA 45 HB3 ALA 45 -1.776 -10.259 -7.213 349 2HB ALA 45 HB2 ALA 45 -1.337 -9.561 -5.654 350 3HB ALA 45 HB1 ALA 45 -0.818 -11.196 -6.070 351 H SER 46 HN SER 46 -2.629 -9.457 -3.570 352 HA SER 46 HA SER 46 -1.511 -11.313 -1.684 353 1HB SER 46 HB2 SER 46 -2.734 -8.624 -1.058 354 2HB SER 46 HB1 SER 46 -1.508 -9.497 -0.140 355 HG SER 46 HG SER 46 -1.141 -7.747 -2.113 356 H GLY 47 HN GLY 47 -4.754 -10.457 -2.533 357 1HA GLY 47 HA2 GLY 47 -6.773 -11.363 -1.875 358 2HA GLY 47 HA1 GLY 47 -5.894 -12.437 -0.788 359 H ILE 48 HN ILE 48 -6.655 -8.980 -1.147 360 HA ILE 48 HA ILE 48 -6.989 -8.760 1.788 361 HB ILE 48 HB ILE 48 -6.265 -6.712 -0.311 362 1HG1 ILE 48 HG12 ILE 48 -4.756 -7.425 2.199 363 2HG1 ILE 48 HG11 ILE 48 -4.526 -8.313 0.697 364 1HG2 ILE 48 HG22 ILE 48 -7.030 -6.300 2.576 365 2HG2 ILE 48 HG21 ILE 48 -6.096 -5.121 1.656 366 3HG2 ILE 48 HG23 ILE 48 -7.732 -5.540 1.148 367 1HD1 ILE 48 HD12 ILE 48 -4.279 -5.318 0.804 368 2HD1 ILE 48 HD11 ILE 48 -2.917 -6.377 1.169 369 3HD1 ILE 48 HD13 ILE 48 -3.671 -6.428 -0.426 370 HA PRO 49 HA PRO 49 -11.347 -8.341 0.798 371 1HB PRO 49 HB2 PRO 49 -12.235 -7.799 3.309 372 2HB PRO 49 HB1 PRO 49 -11.792 -9.419 2.753 373 1HG PRO 49 HG2 PRO 49 -10.231 -7.487 4.411 374 2HG PRO 49 HG1 PRO 49 -10.372 -9.245 4.570 375 1HD PRO 49 HD2 PRO 49 -8.227 -7.994 3.426 376 2HD PRO 49 HD1 PRO 49 -8.739 -9.639 2.995 377 H TYR 50 HN TYR 50 -11.335 -6.483 -0.453 378 HA TYR 50 HA TYR 50 -10.960 -3.832 0.582 379 1HB TYR 50 HB2 TYR 50 -10.440 -4.400 -1.745 380 2HB TYR 50 HB1 TYR 50 -12.128 -4.794 -2.038 381 HD1 TYR 50 HD1 TYR 50 -10.474 -1.899 -0.330 382 HD2 TYR 50 HD2 TYR 50 -13.021 -3.239 -3.486 383 HE1 TYR 50 HE1 TYR 50 -10.911 0.435 -0.970 384 HE2 TYR 50 HE2 TYR 50 -13.452 -0.904 -4.123 385 HH TYR 50 HH TYR 50 -13.406 1.381 -2.885 386 H HIS 51 HN HIS 51 -13.748 -5.854 -0.136 387 HA HIS 51 HA HIS 51 -15.555 -3.862 1.122 388 1HB HIS 51 HB2 HIS 51 -15.781 -5.381 -1.432 389 2HB HIS 51 HB1 HIS 51 -17.239 -5.307 -0.457 390 HD1 HIS 51 HD1 HIS 51 -18.549 -3.749 -1.924 391 HD2 HIS 51 HD2 HIS 51 -14.853 -2.182 -0.897 392 HE1 HIS 51 HE1 HIS 51 -18.615 -1.364 -2.680 393 H SER 52 HN SER 52 -17.736 -5.169 1.653 394 HA SER 52 HA SER 52 -17.058 -7.053 3.704 395 1HB SER 52 HB2 SER 52 -19.823 -6.593 2.576 396 2HB SER 52 HB1 SER 52 -19.386 -7.123 4.197 397 HG SER 52 HG SER 52 -19.926 -4.711 3.579 398 H GLU 53 HN GLU 53 -18.910 -7.367 0.678 399 HA GLU 53 HA GLU 53 -18.344 -10.287 0.603 400 1HB GLU 53 HB2 GLU 53 -20.562 -8.631 -0.639 401 2HB GLU 53 HB1 GLU 53 -20.267 -10.318 -1.036 402 1HG GLU 53 HG2 GLU 53 -20.792 -9.336 1.778 403 2HG GLU 53 HG1 GLU 53 -22.062 -9.908 0.697 404 H VAL 54 HN VAL 54 -16.268 -9.981 -0.295 405 HA VAL 54 HA VAL 54 -15.833 -8.395 -2.642 406 HB VAL 54 HB VAL 54 -14.093 -10.472 -1.308 407 1HG1 VAL 54 HG13 VAL 54 -13.635 -8.742 -3.695 408 2HG1 VAL 54 HG12 VAL 54 -12.290 -9.081 -2.608 409 3HG1 VAL 54 HG11 VAL 54 -13.137 -10.406 -3.407 410 1HG2 VAL 54 HG23 VAL 54 -14.647 -7.641 -0.820 411 2HG2 VAL 54 HG22 VAL 54 -13.940 -8.860 0.245 412 3HG2 VAL 54 HG21 VAL 54 -12.930 -8.026 -0.940 413 HA PRO 55 HA PRO 55 -15.935 -12.493 -5.048 414 1HB PRO 55 HB2 PRO 55 -16.584 -14.824 -3.830 415 2HB PRO 55 HB1 PRO 55 -14.947 -14.162 -3.870 416 1HG PRO 55 HG2 PRO 55 -16.829 -14.351 -1.627 417 2HG PRO 55 HG1 PRO 55 -15.074 -14.138 -1.608 418 1HD PRO 55 HD2 PRO 55 -17.116 -12.145 -1.258 419 2HD PRO 55 HD1 PRO 55 -15.358 -11.952 -1.177 420 H VAL 56 HN VAL 56 -17.724 -11.784 -6.153 421 HA VAL 56 HA VAL 56 -20.419 -12.470 -5.157 422 HB VAL 56 HB VAL 56 -19.670 -10.728 -7.513 423 1HG1 VAL 56 HG13 VAL 56 -22.228 -11.172 -5.967 424 2HG1 VAL 56 HG12 VAL 56 -21.979 -9.797 -7.042 425 3HG1 VAL 56 HG11 VAL 56 -21.939 -11.442 -7.687 426 1HG2 VAL 56 HG23 VAL 56 -20.042 -10.068 -4.600 427 2HG2 VAL 56 HG22 VAL 56 -18.723 -9.606 -5.679 428 3HG2 VAL 56 HG21 VAL 56 -20.317 -8.867 -5.865 429 H SER 57 HN SER 57 -21.750 -13.830 -6.251 430 HA SER 57 HA SER 57 -20.639 -15.829 -7.911 431 1HB SER 57 HB2 SER 57 -23.545 -15.256 -7.464 432 2HB SER 57 HB1 SER 57 -22.797 -16.789 -7.854 433 HG SER 57 HG SER 57 -22.477 -15.301 -5.441 434 H LEU 58 HN LEU 58 -20.535 -16.062 -10.005 435 HA LEU 58 HA LEU 58 -21.936 -14.191 -11.836 436 1HB LEU 58 HB2 LEU 58 -19.312 -14.126 -11.550 437 2HB LEU 58 HB1 LEU 58 -19.359 -15.579 -12.541 438 HG LEU 58 HG LEU 58 -20.807 -14.203 -14.160 439 1HD1 LEU 58 HD13 LEU 58 -20.522 -12.267 -12.137 440 2HD1 LEU 58 HD12 LEU 58 -19.535 -11.709 -13.491 441 3HD1 LEU 58 HD11 LEU 58 -21.245 -12.064 -13.731 442 1HD2 LEU 58 HD21 LEU 58 -17.889 -14.084 -13.705 443 2HD2 LEU 58 HD23 LEU 58 -18.800 -14.648 -15.106 444 3HD2 LEU 58 HD22 LEU 58 -18.549 -12.919 -14.848 445 H LYS 59 HN LYS 59 -22.793 -16.782 -10.737 446 HA LYS 59 HA LYS 59 -22.498 -18.945 -12.510 447 1HB LYS 59 HB2 LYS 59 -23.434 -18.816 -10.096 448 2HB LYS 59 HB1 LYS 59 -24.973 -18.456 -10.865 449 1HG LYS 59 HG2 LYS 59 -24.264 -20.633 -12.292 450 2HG LYS 59 HG1 LYS 59 -23.412 -20.983 -10.792 451 1HD LYS 59 HD2 LYS 59 -25.324 -21.694 -9.872 452 2HD LYS 59 HD1 LYS 59 -26.024 -20.094 -10.081 453 1HE LYS 59 HE2 LYS 59 -26.053 -22.326 -12.126 454 2HE LYS 59 HE1 LYS 59 -27.420 -21.808 -11.145 455 1HZ LYS 59 HZ3 LYS 59 -26.158 -19.712 -12.680 456 2HZ LYS 59 HZ2 LYS 59 -26.898 -20.930 -13.612 457 3HZ LYS 59 HZ1 LYS 59 -27.802 -20.052 -12.451 458 H GLU 60 HN GLU 60 -22.767 -18.293 -14.640 459 HA GLU 60 HA GLU 60 -23.848 -17.976 -16.624 460 1HB GLU 60 HB2 GLU 60 -26.399 -18.602 -15.122 461 2HB GLU 60 HB1 GLU 60 -26.122 -18.716 -16.856 462 1HG GLU 60 HG2 GLU 60 -24.427 -20.483 -16.450 463 2HG GLU 60 HG1 GLU 60 -24.775 -20.397 -14.724 464 H ALA 61 HN ALA 61 -23.145 -15.682 -15.771 465 HA ALA 61 HA ALA 61 -25.271 -13.832 -15.171 466 1HB ALA 61 HB3 ALA 61 -22.350 -13.513 -15.846 467 2HB ALA 61 HB2 ALA 61 -23.422 -12.128 -15.627 468 3HB ALA 61 HB1 ALA 61 -23.157 -13.256 -14.296 469 H ILE 62 HN ILE 62 -26.478 -12.687 -16.530 470 HA ILE 62 HA ILE 62 -26.209 -13.053 -19.419 471 HB ILE 62 HB ILE 62 -28.260 -11.556 -17.767 472 1HG1 ILE 62 HG12 ILE 62 -28.582 -14.202 -19.184 473 2HG1 ILE 62 HG11 ILE 62 -28.143 -14.073 -17.484 474 1HG2 ILE 62 HG23 ILE 62 -27.936 -11.958 -20.711 475 2HG2 ILE 62 HG22 ILE 62 -29.566 -11.963 -20.035 476 3HG2 ILE 62 HG21 ILE 62 -28.526 -10.554 -19.818 477 1HD1 ILE 62 HD13 ILE 62 -30.225 -12.694 -17.139 478 2HD1 ILE 62 HD12 ILE 62 -30.692 -13.117 -18.791 479 3HD1 ILE 62 HD11 ILE 62 -30.511 -14.380 -17.575 480 H CYS 63 HN CYS 63 -25.596 -11.412 -20.840 481 HA CYS 63 HA CYS 63 -24.894 -8.797 -19.646 482 1HB CYS 63 HB2 CYS 63 -22.943 -10.393 -19.812 483 2HB CYS 63 HB1 CYS 63 -23.116 -10.292 -21.561 484 HG CYS 63 HG CYS 63 -21.812 -8.224 -21.477 485 H GLU 64 HN GLU 64 -25.287 -7.044 -20.849 486 HA GLU 64 HA GLU 64 -26.220 -7.387 -23.647 487 1HB GLU 64 HB2 GLU 64 -27.252 -5.162 -21.919 488 2HB GLU 64 HB1 GLU 64 -27.999 -5.932 -23.316 489 1HG GLU 64 HG2 GLU 64 -28.275 -8.012 -21.893 490 2HG GLU 64 HG1 GLU 64 -27.751 -7.051 -20.509 491 H VAL 65 HN VAL 65 -25.021 -6.269 -25.070 492 HA VAL 65 HA VAL 65 -22.860 -4.579 -24.175 493 HB VAL 65 HB VAL 65 -23.844 -5.149 -26.977 494 1HG1 VAL 65 HG12 VAL 65 -21.347 -3.863 -25.893 495 2HG1 VAL 65 HG11 VAL 65 -21.357 -4.668 -27.463 496 3HG1 VAL 65 HG13 VAL 65 -22.422 -3.294 -27.171 497 1HG2 VAL 65 HG23 VAL 65 -21.799 -6.547 -25.252 498 2HG2 VAL 65 HG22 VAL 65 -23.292 -7.224 -25.892 499 3HG2 VAL 65 HG21 VAL 65 -21.973 -6.811 -26.986 500 H ALA 66 HN ALA 66 -22.637 -2.447 -24.213 501 HA ALA 66 HA ALA 66 -24.721 -0.681 -25.363 502 1HB ALA 66 HB1 ALA 66 -25.041 -0.836 -22.915 503 2HB ALA 66 HB3 ALA 66 -23.364 -0.349 -22.669 504 3HB ALA 66 HB2 ALA 66 -24.513 0.771 -23.404 505 H LEU 67 HN LEU 67 -23.184 -0.664 -27.151 506 HA LEU 67 HA LEU 67 -20.491 0.086 -26.978 507 1HB LEU 67 HB2 LEU 67 -22.140 -0.651 -29.016 508 2HB LEU 67 HB1 LEU 67 -21.904 1.052 -29.382 509 HG LEU 67 HG LEU 67 -19.363 0.415 -28.871 510 1HD1 LEU 67 HD13 LEU 67 -19.919 -1.918 -28.290 511 2HD1 LEU 67 HD12 LEU 67 -20.524 -2.166 -29.928 512 3HD1 LEU 67 HD11 LEU 67 -18.814 -1.813 -29.661 513 1HD2 LEU 67 HD23 LEU 67 -20.502 1.270 -31.024 514 2HD2 LEU 67 HD22 LEU 67 -18.965 0.415 -31.169 515 3HD2 LEU 67 HD21 LEU 67 -20.478 -0.418 -31.531 516 H ASP 68 HN ASP 68 -23.359 2.095 -26.964 517 HA ASP 68 HA ASP 68 -21.697 4.430 -26.288 518 1HB ASP 68 HB2 ASP 68 -22.341 4.473 -28.773 519 2HB ASP 68 HB1 ASP 68 -24.005 4.692 -28.238 520 H TYR 69 HN TYR 69 -22.388 4.003 -24.166 521 HA TYR 69 HA TYR 69 -25.230 4.028 -23.530 522 1HB TYR 69 HB2 TYR 69 -23.845 2.493 -22.309 523 2HB TYR 69 HB1 TYR 69 -22.736 3.781 -21.837 524 HD1 TYR 69 HD1 TYR 69 -26.435 3.160 -21.638 525 HD2 TYR 69 HD2 TYR 69 -22.871 4.381 -19.627 526 HE1 TYR 69 HE1 TYR 69 -27.727 3.540 -19.576 527 HE2 TYR 69 HE2 TYR 69 -24.170 4.761 -17.569 528 HH TYR 69 HH TYR 69 -27.669 4.565 -17.519 529 H LYS 70 HN LYS 70 -24.423 6.309 -24.837 530 HA LYS 70 HA LYS 70 -24.762 8.545 -24.845 531 1HB LYS 70 HB2 LYS 70 -25.697 8.326 -21.985 532 2HB LYS 70 HB1 LYS 70 -26.089 9.577 -23.161 533 1HG LYS 70 HG2 LYS 70 -26.938 7.441 -24.543 534 2HG LYS 70 HG1 LYS 70 -27.143 6.811 -22.912 535 1HD LYS 70 HD2 LYS 70 -28.414 8.953 -22.388 536 2HD LYS 70 HD1 LYS 70 -28.402 9.270 -24.120 537 1HE LYS 70 HE2 LYS 70 -30.057 7.419 -22.561 538 2HE LYS 70 HE1 LYS 70 -30.338 8.111 -24.155 539 1HZ LYS 70 HZ2 LYS 70 -28.815 6.440 -25.087 540 2HZ LYS 70 HZ1 LYS 70 -28.664 5.743 -23.533 541 3HZ LYS 70 HZ3 LYS 70 -30.168 5.744 -24.324 542 H LYS 71 HN LYS 71 -23.676 7.980 -21.494 543 HA LYS 71 HA LYS 71 -21.984 10.285 -21.508 544 1HB LYS 71 HB2 LYS 71 -22.118 8.005 -19.537 545 2HB LYS 71 HB1 LYS 71 -21.256 9.520 -19.287 546 1HG LYS 71 HG2 LYS 71 -24.242 9.205 -19.673 547 2HG LYS 71 HG1 LYS 71 -23.411 9.602 -18.170 548 1HD LYS 71 HD2 LYS 71 -22.437 11.580 -19.680 549 2HD LYS 71 HD1 LYS 71 -23.933 11.305 -20.569 550 1HE LYS 71 HE2 LYS 71 -25.258 11.770 -18.632 551 2HE LYS 71 HE1 LYS 71 -23.853 11.727 -17.571 552 1HZ LYS 71 HZ2 LYS 71 -24.117 13.709 -19.762 553 2HZ LYS 71 HZ1 LYS 71 -24.728 13.987 -18.189 554 3HZ LYS 71 HZ3 LYS 71 -23.062 13.737 -18.423 555 H LYS 72 HN LYS 72 -21.300 6.837 -21.606 556 HA LYS 72 HA LYS 72 -18.637 7.451 -22.714 557 1HB LYS 72 HB2 LYS 72 -19.234 5.481 -20.504 558 2HB LYS 72 HB1 LYS 72 -17.701 5.573 -21.366 559 1HG LYS 72 HG2 LYS 72 -17.632 8.033 -20.656 560 2HG LYS 72 HG1 LYS 72 -18.935 7.631 -19.539 561 1HD LYS 72 HD2 LYS 72 -17.583 6.101 -18.344 562 2HD LYS 72 HD1 LYS 72 -16.351 6.089 -19.600 563 1HE LYS 72 HE2 LYS 72 -16.965 8.700 -18.309 564 2HE LYS 72 HE1 LYS 72 -16.077 7.512 -17.363 565 1HZ LYS 72 HZ2 LYS 72 -14.893 7.539 -19.865 566 2HZ LYS 72 HZ1 LYS 72 -15.151 9.177 -19.457 567 3HZ LYS 72 HZ3 LYS 72 -14.263 8.169 -18.412 568 H LYS 73 HN LYS 73 -17.688 5.704 -23.928 569 HA LYS 73 HA LYS 73 -19.671 4.021 -25.249 570 1HB LYS 73 HB2 LYS 73 -17.937 3.865 -27.053 571 2HB LYS 73 HB1 LYS 73 -18.550 5.492 -26.782 572 1HG LYS 73 HG2 LYS 73 -16.568 6.167 -25.655 573 2HG LYS 73 HG1 LYS 73 -16.015 4.508 -25.476 574 1HD LYS 73 HD2 LYS 73 -14.699 5.334 -27.216 575 2HD LYS 73 HD1 LYS 73 -15.965 4.435 -28.042 576 1HE LYS 73 HE2 LYS 73 -16.818 7.159 -27.630 577 2HE LYS 73 HE1 LYS 73 -15.237 7.151 -28.401 578 1HZ LYS 73 HZ3 LYS 73 -16.365 5.367 -29.910 579 2HZ LYS 73 HZ2 LYS 73 -17.806 6.123 -29.391 580 3HZ LYS 73 HZ1 LYS 73 -16.606 7.025 -30.204 581 H HIS 74 HN HIS 74 -18.995 1.967 -25.883 582 HA HIS 74 HA HIS 74 -18.333 -0.186 -25.523 583 1HB HIS 74 HB2 HIS 74 -15.808 1.202 -24.594 584 2HB HIS 74 HB1 HIS 74 -15.960 -0.540 -24.780 585 HD1 HIS 74 HD1 HIS 74 -14.458 1.978 -26.558 586 HD2 HIS 74 HD2 HIS 74 -17.300 -0.827 -27.679 587 HE1 HIS 74 HE1 HIS 74 -14.328 1.872 -29.057 588 H VAL 75 HN VAL 75 -20.108 0.246 -23.879 589 HA VAL 75 HA VAL 75 -19.206 -0.529 -21.165 590 HB VAL 75 HB VAL 75 -21.609 1.083 -22.072 591 1HG1 VAL 75 HG13 VAL 75 -20.986 -0.105 -19.372 592 2HG1 VAL 75 HG12 VAL 75 -22.032 1.307 -19.565 593 3HG1 VAL 75 HG11 VAL 75 -22.474 -0.226 -20.314 594 1HG2 VAL 75 HG23 VAL 75 -19.441 2.289 -21.905 595 2HG2 VAL 75 HG22 VAL 75 -20.670 2.889 -20.795 596 3HG2 VAL 75 HG21 VAL 75 -19.375 1.848 -20.203 597 H PHE 76 HN PHE 76 -20.544 -2.160 -20.121 598 HA PHE 76 HA PHE 76 -22.528 -3.484 -21.821 599 1HB PHE 76 HB2 PHE 76 -21.632 -5.717 -21.388 600 2HB PHE 76 HB1 PHE 76 -20.538 -4.735 -22.339 601 HD1 PHE 76 HD1 PHE 76 -18.400 -4.002 -21.447 602 HD2 PHE 76 HD2 PHE 76 -21.040 -6.433 -19.130 603 HE1 PHE 76 HE1 PHE 76 -16.548 -4.556 -19.917 604 HE2 PHE 76 HE2 PHE 76 -19.191 -6.988 -17.593 605 HZ PHE 76 HZ PHE 76 -16.934 -6.047 -17.993 606 H LYS 77 HN LYS 77 -24.232 -4.115 -20.790 607 HA LYS 77 HA LYS 77 -24.528 -3.581 -17.947 608 1HB LYS 77 HB2 LYS 77 -26.260 -2.951 -19.616 609 2HB LYS 77 HB1 LYS 77 -26.510 -4.654 -19.963 610 1HG LYS 77 HG2 LYS 77 -27.827 -4.939 -18.165 611 2HG LYS 77 HG1 LYS 77 -26.683 -4.118 -17.105 612 1HD LYS 77 HD2 LYS 77 -27.938 -2.271 -17.078 613 2HD LYS 77 HD1 LYS 77 -27.974 -2.191 -18.833 614 1HE LYS 77 HE2 LYS 77 -29.735 -4.159 -17.421 615 2HE LYS 77 HE1 LYS 77 -30.199 -2.463 -17.447 616 1HZ LYS 77 HZ3 LYS 77 -29.720 -2.750 -19.994 617 2HZ LYS 77 HZ2 LYS 77 -30.032 -4.388 -19.654 618 3HZ LYS 77 HZ1 LYS 77 -31.214 -3.204 -19.316 619 H LEU 78 HN LEU 78 -23.683 -5.081 -16.682 620 HA LEU 78 HA LEU 78 -23.863 -7.939 -17.341 621 1HB LEU 78 HB2 LEU 78 -21.689 -6.952 -16.677 622 2HB LEU 78 HB1 LEU 78 -22.369 -6.540 -15.113 623 HG LEU 78 HG LEU 78 -22.586 -8.780 -14.512 624 1HD1 LEU 78 HD11 LEU 78 -22.178 -9.393 -17.412 625 2HD1 LEU 78 HD13 LEU 78 -21.946 -10.623 -16.170 626 3HD1 LEU 78 HD12 LEU 78 -23.519 -9.856 -16.361 627 1HD2 LEU 78 HD21 LEU 78 -20.012 -7.973 -15.648 628 2HD2 LEU 78 HD23 LEU 78 -20.412 -8.568 -14.036 629 3HD2 LEU 78 HD22 LEU 78 -20.196 -9.703 -15.363 630 H ARG 79 HN ARG 79 -25.662 -8.879 -16.706 631 HA ARG 79 HA ARG 79 -27.035 -8.089 -14.219 632 1HB ARG 79 HB2 ARG 79 -27.929 -9.782 -16.571 633 2HB ARG 79 HB1 ARG 79 -28.907 -9.440 -15.147 634 1HG ARG 79 HG2 ARG 79 -28.888 -7.078 -15.630 635 2HG ARG 79 HG1 ARG 79 -27.752 -7.311 -16.951 636 1HD ARG 79 HD2 ARG 79 -29.463 -7.586 -18.371 637 2HD ARG 79 HD1 ARG 79 -29.969 -9.017 -17.469 638 HE ARG 79 HE ARG 79 -30.913 -6.785 -16.053 639 1HH1 ARG 79 HH21 ARG 79 -31.212 -6.392 -19.290 640 2HH1 ARG 79 HH22 ARG 79 -32.924 -6.706 -19.405 641 1HH2 ARG 79 HH11 ARG 79 -33.161 -8.097 -16.180 642 2HH2 ARG 79 HH12 ARG 79 -34.036 -7.704 -17.639 643 H LEU 80 HN LEU 80 -26.335 -9.175 -12.513 644 HA LEU 80 HA LEU 80 -25.125 -11.809 -12.699 645 1HB LEU 80 HB2 LEU 80 -25.778 -10.130 -10.267 646 2HB LEU 80 HB1 LEU 80 -24.739 -11.553 -10.299 647 HG LEU 80 HG LEU 80 -24.255 -8.917 -11.708 648 1HD1 LEU 80 HD13 LEU 80 -23.011 -10.259 -9.320 649 2HD1 LEU 80 HD12 LEU 80 -22.195 -8.974 -10.214 650 3HD1 LEU 80 HD11 LEU 80 -23.742 -8.656 -9.427 651 1HD2 LEU 80 HD22 LEU 80 -22.797 -11.545 -11.859 652 2HD2 LEU 80 HD21 LEU 80 -23.333 -10.498 -13.175 653 3HD2 LEU 80 HD23 LEU 80 -21.972 -10.015 -12.160 654 H SER 81 HN SER 81 -25.935 -13.725 -11.902 655 HA SER 81 HA SER 81 -28.832 -13.884 -11.521 656 1HB SER 81 HB2 SER 81 -27.393 -15.475 -12.994 657 2HB SER 81 HB1 SER 81 -26.925 -16.226 -11.471 658 HG SER 81 HG SER 81 -29.662 -15.784 -12.033 659 H ASP 82 HN ASP 82 -27.732 -12.489 -9.528 660 HA ASP 82 HA ASP 82 -27.914 -14.270 -7.170 661 1HB ASP 82 HB2 ASP 82 -25.530 -13.637 -7.618 662 2HB ASP 82 HB1 ASP 82 -25.980 -11.941 -7.469 663 H GLY 83 HN GLY 83 -27.744 -10.845 -8.091 664 1HA GLY 83 HA2 GLY 83 -30.199 -9.866 -7.712 665 2HA GLY 83 HA1 GLY 83 -29.647 -10.038 -6.042 666 H ASN 84 HN ASN 84 -28.435 -8.848 -9.205 667 HA ASN 84 HA ASN 84 -27.908 -6.211 -8.285 668 1HB ASN 84 HB2 ASN 84 -25.801 -8.197 -7.832 669 2HB ASN 84 HB1 ASN 84 -25.255 -6.912 -8.899 670 1HD2 ASN 84 HD22 ASN 84 -25.754 -4.344 -6.389 671 2HD2 ASN 84 HD21 ASN 84 -26.074 -4.640 -8.063 672 H GLU 85 HN GLU 85 -27.368 -4.884 -9.990 673 HA GLU 85 HA GLU 85 -26.803 -6.064 -12.631 674 1HB GLU 85 HB2 GLU 85 -28.988 -4.063 -11.991 675 2HB GLU 85 HB1 GLU 85 -28.408 -4.394 -13.621 676 1HG GLU 85 HG2 GLU 85 -29.008 -6.806 -13.274 677 2HG GLU 85 HG1 GLU 85 -29.738 -6.355 -11.735 678 H TYR 86 HN TYR 86 -24.926 -5.212 -13.211 679 HA TYR 86 HA TYR 86 -24.288 -2.409 -12.453 680 1HB TYR 86 HB2 TYR 86 -22.376 -4.720 -12.858 681 2HB TYR 86 HB1 TYR 86 -21.926 -3.078 -12.439 682 HD1 TYR 86 HD1 TYR 86 -23.204 -2.175 -10.227 683 HD2 TYR 86 HD2 TYR 86 -22.336 -6.252 -11.164 684 HE1 TYR 86 HE1 TYR 86 -23.263 -2.738 -7.838 685 HE2 TYR 86 HE2 TYR 86 -22.396 -6.808 -8.765 686 HH TYR 86 HH TYR 86 -23.693 -5.518 -6.583 687 H LEU 87 HN LEU 87 -23.072 -1.175 -13.900 688 HA LEU 87 HA LEU 87 -23.095 -2.057 -16.738 689 1HB LEU 87 HB2 LEU 87 -22.792 0.802 -15.786 690 2HB LEU 87 HB1 LEU 87 -23.113 0.233 -17.414 691 HG LEU 87 HG LEU 87 -24.990 0.272 -15.071 692 1HD1 LEU 87 HD12 LEU 87 -24.510 2.252 -16.745 693 2HD1 LEU 87 HD11 LEU 87 -25.599 1.341 -17.791 694 3HD1 LEU 87 HD13 LEU 87 -26.150 1.898 -16.205 695 1HD2 LEU 87 HD22 LEU 87 -25.150 -1.287 -17.625 696 2HD2 LEU 87 HD21 LEU 87 -25.587 -1.778 -15.986 697 3HD2 LEU 87 HD23 LEU 87 -26.618 -0.660 -16.877 698 H PHE 88 HN PHE 88 -21.124 -2.689 -17.382 699 HA PHE 88 HA PHE 88 -18.756 -1.650 -15.963 700 1HB PHE 88 HB2 PHE 88 -19.334 -4.193 -17.417 701 2HB PHE 88 HB1 PHE 88 -17.674 -3.672 -17.159 702 HD1 PHE 88 HD1 PHE 88 -17.075 -3.006 -14.679 703 HD2 PHE 88 HD2 PHE 88 -20.361 -5.482 -15.798 704 HE1 PHE 88 HE1 PHE 88 -17.139 -3.957 -12.407 705 HE2 PHE 88 HE2 PHE 88 -20.441 -6.420 -13.533 706 HZ PHE 88 HZ PHE 88 -18.784 -5.624 -11.814 707 H GLN 89 HN GLN 89 -17.529 -0.228 -16.937 708 HA GLN 89 HA GLN 89 -17.687 0.140 -19.867 709 1HB GLN 89 HB2 GLN 89 -18.256 2.033 -18.260 710 2HB GLN 89 HB1 GLN 89 -16.556 2.050 -17.831 711 1HG GLN 89 HG2 GLN 89 -16.907 2.101 -20.716 712 2HG GLN 89 HG1 GLN 89 -17.769 3.429 -19.939 713 1HE2 GLN 89 HE22 GLN 89 -13.976 3.956 -20.603 714 2HE2 GLN 89 HE21 GLN 89 -15.094 2.966 -21.478 715 H ALA 90 HN ALA 90 -15.987 -0.450 -21.081 716 HA ALA 90 HA ALA 90 -13.365 -0.962 -19.782 717 1HB ALA 90 HB1 ALA 90 -14.673 -2.795 -21.125 718 2HB ALA 90 HB3 ALA 90 -14.064 -1.934 -22.540 719 3HB ALA 90 HB2 ALA 90 -12.933 -2.614 -21.370 720 H LYS 91 HN LYS 91 -11.440 -0.428 -21.079 721 HA LYS 91 HA LYS 91 -11.691 2.239 -22.217 722 1HB LYS 91 HB2 LYS 91 -9.057 1.744 -22.453 723 2HB LYS 91 HB1 LYS 91 -9.808 2.329 -20.979 724 1HG LYS 91 HG2 LYS 91 -9.702 -0.625 -21.322 725 2HG LYS 91 HG1 LYS 91 -8.177 0.199 -21.055 726 1HD LYS 91 HD2 LYS 91 -9.051 1.228 -19.013 727 2HD LYS 91 HD1 LYS 91 -10.614 0.470 -19.282 728 1HE LYS 91 HE2 LYS 91 -8.916 -0.599 -17.602 729 2HE LYS 91 HE1 LYS 91 -9.867 -1.631 -18.658 730 1HZ LYS 91 HZ3 LYS 91 -7.228 -0.722 -19.588 731 2HZ LYS 91 HZ2 LYS 91 -7.311 -1.961 -18.414 732 3HZ LYS 91 HZ1 LYS 91 -8.063 -2.171 -19.921 733 H ASP 92 HN ASP 92 -10.935 -1.003 -23.394 734 HA ASP 92 HA ASP 92 -10.770 0.083 -26.162 735 1HB ASP 92 HB2 ASP 92 -8.657 -0.982 -25.170 736 2HB ASP 92 HB1 ASP 92 -9.517 -2.516 -25.269 737 H ASP 93 HN ASP 93 -11.701 -1.134 -27.835 738 HA ASP 93 HA ASP 93 -14.216 -2.333 -27.238 739 1HB ASP 93 HB2 ASP 93 -14.271 -2.826 -29.710 740 2HB ASP 93 HB1 ASP 93 -14.018 -1.139 -29.292 741 H GLU 94 HN GLU 94 -11.035 -3.640 -28.034 742 HA GLU 94 HA GLU 94 -11.901 -6.361 -28.387 743 1HB GLU 94 HB2 GLU 94 -9.198 -5.125 -27.837 744 2HB GLU 94 HB1 GLU 94 -9.437 -6.858 -28.037 745 1HG GLU 94 HG2 GLU 94 -10.363 -4.869 -30.110 746 2HG GLU 94 HG1 GLU 94 -8.730 -5.531 -30.114 747 H GLU 95 HN GLU 95 -10.648 -4.449 -25.702 748 HA GLU 95 HA GLU 95 -10.431 -6.516 -23.765 749 1HB GLU 95 HB2 GLU 95 -9.618 -3.991 -23.759 750 2HB GLU 95 HB1 GLU 95 -11.168 -3.722 -22.969 751 1HG GLU 95 HG2 GLU 95 -10.543 -5.478 -21.297 752 2HG GLU 95 HG1 GLU 95 -8.948 -5.558 -22.049 753 H MET 96 HN MET 96 -13.008 -4.214 -24.571 754 HA MET 96 HA MET 96 -14.922 -4.878 -22.637 755 1HB MET 96 HB2 MET 96 -14.987 -2.944 -24.245 756 2HB MET 96 HB1 MET 96 -15.462 -4.069 -25.508 757 1HG MET 96 HG2 MET 96 -17.335 -4.694 -23.700 758 2HG MET 96 HG1 MET 96 -17.015 -3.047 -23.183 759 1HE MET 96 HE1 MET 96 -17.481 -5.327 -26.056 760 2HE MET 96 HE3 MET 96 -19.089 -4.835 -26.597 761 3HE MET 96 HE2 MET 96 -17.654 -4.227 -27.421 762 H ASN 97 HN ASN 97 -14.389 -6.240 -25.881 763 HA ASN 97 HA ASN 97 -16.513 -8.137 -25.790 764 1HB ASN 97 HB2 ASN 97 -15.437 -7.365 -27.898 765 2HB ASN 97 HB1 ASN 97 -13.972 -8.237 -27.449 766 1HD2 ASN 97 HD22 ASN 97 -17.341 -10.361 -28.526 767 2HD2 ASN 97 HD21 ASN 97 -17.473 -8.746 -27.879 768 H THR 98 HN THR 98 -13.015 -8.409 -25.120 769 HA THR 98 HA THR 98 -12.856 -11.147 -24.553 770 HB THR 98 HB THR 98 -11.294 -8.906 -23.245 771 HG1 THR 98 HG1 THR 98 -11.040 -8.689 -25.422 772 1HG2 THR 98 HG23 THR 98 -10.623 -11.831 -23.642 773 2HG2 THR 98 HG22 THR 98 -9.510 -10.607 -23.034 774 3HG2 THR 98 HG21 THR 98 -10.943 -11.033 -22.101 775 H TRP 99 HN TRP 99 -13.672 -8.435 -22.400 776 HA TRP 99 HA TRP 99 -13.896 -9.895 -19.983 777 1HB TRP 99 HB2 TRP 99 -14.873 -7.244 -20.976 778 2HB TRP 99 HB1 TRP 99 -15.591 -7.888 -19.508 779 HD1 TRP 99 HD1 TRP 99 -12.797 -5.742 -20.551 780 HE1 TRP 99 HE1 TRP 99 -11.093 -5.514 -18.658 781 HE3 TRP 99 HE3 TRP 99 -14.323 -9.568 -17.498 782 HZ2 TRP 99 HZ2 TRP 99 -10.450 -6.746 -16.240 783 HZ3 TRP 99 HZ3 TRP 99 -13.097 -9.987 -15.404 784 HH2 TRP 99 HH2 TRP 99 -11.170 -8.587 -14.780 785 H ILE 100 HN ILE 100 -16.387 -8.874 -22.323 786 HA ILE 100 HA ILE 100 -18.618 -10.041 -21.081 787 HB ILE 100 HB ILE 100 -18.043 -9.367 -23.967 788 1HG1 ILE 100 HG12 ILE 100 -19.800 -8.018 -21.909 789 2HG1 ILE 100 HG11 ILE 100 -18.152 -7.528 -22.267 790 1HG2 ILE 100 HG22 ILE 100 -20.599 -10.369 -22.708 791 2HG2 ILE 100 HG21 ILE 100 -20.569 -9.460 -24.221 792 3HG2 ILE 100 HG23 ILE 100 -19.751 -11.019 -24.112 793 1HD1 ILE 100 HD13 ILE 100 -19.625 -7.730 -24.725 794 2HD1 ILE 100 HD12 ILE 100 -20.520 -6.724 -23.584 795 3HD1 ILE 100 HD11 ILE 100 -18.859 -6.313 -24.010 796 H GLN 101 HN GLN 101 -16.374 -11.412 -23.498 797 HA GLN 101 HA GLN 101 -17.758 -13.884 -23.833 798 1HB GLN 101 HB2 GLN 101 -14.861 -13.136 -24.307 799 2HB GLN 101 HB1 GLN 101 -15.555 -14.701 -24.726 800 1HG GLN 101 HG2 GLN 101 -17.363 -13.045 -25.906 801 2HG GLN 101 HG1 GLN 101 -15.913 -12.060 -26.032 802 1HE2 GLN 101 HE22 GLN 101 -14.288 -14.933 -27.836 803 2HE2 GLN 101 HE21 GLN 101 -14.072 -14.252 -26.256 804 H ALA 102 HN ALA 102 -15.099 -12.893 -21.669 805 HA ALA 102 HA ALA 102 -14.648 -15.441 -20.478 806 1HB ALA 102 HB1 ALA 102 -13.042 -13.580 -20.297 807 2HB ALA 102 HB3 ALA 102 -14.198 -12.678 -19.319 808 3HB ALA 102 HB2 ALA 102 -13.507 -14.180 -18.707 809 H ILE 103 HN ILE 103 -16.746 -12.728 -19.678 810 HA ILE 103 HA ILE 103 -17.815 -13.748 -17.244 811 HB ILE 103 HB ILE 103 -18.639 -11.613 -19.193 812 1HG1 ILE 103 HG12 ILE 103 -17.968 -11.306 -16.275 813 2HG1 ILE 103 HG11 ILE 103 -16.700 -11.433 -17.488 814 1HG2 ILE 103 HG23 ILE 103 -20.182 -12.543 -16.773 815 2HG2 ILE 103 HG22 ILE 103 -20.327 -10.916 -17.429 816 3HG2 ILE 103 HG21 ILE 103 -20.768 -12.300 -18.426 817 1HD1 ILE 103 HD11 ILE 103 -18.918 -9.377 -17.524 818 2HD1 ILE 103 HD13 ILE 103 -17.275 -9.083 -16.960 819 3HD1 ILE 103 HD12 ILE 103 -17.566 -9.476 -18.652 820 H SER 104 HN SER 104 -18.678 -14.136 -20.644 821 HA SER 104 HA SER 104 -21.258 -15.291 -20.261 822 1HB SER 104 HB2 SER 104 -19.311 -15.576 -22.566 823 2HB SER 104 HB1 SER 104 -20.991 -16.101 -22.589 824 HG SER 104 HG SER 104 -20.087 -13.428 -22.170 825 H SER 105 HN SER 105 -17.983 -16.638 -20.439 826 HA SER 105 HA SER 105 -18.774 -19.397 -20.420 827 1HB SER 105 HB2 SER 105 -16.119 -18.425 -19.385 828 2HB SER 105 HB1 SER 105 -16.496 -19.903 -20.266 829 HG SER 105 HG SER 105 -15.445 -17.934 -21.380 830 H ALA 106 HN ALA 106 -17.534 -17.190 -17.913 831 HA ALA 106 HA ALA 106 -17.635 -17.180 -15.635 832 1HB ALA 106 HB2 ALA 106 -20.092 -17.225 -16.210 833 2HB ALA 106 HB1 ALA 106 -20.058 -18.963 -15.916 834 3HB ALA 106 HB3 ALA 106 -19.681 -17.841 -14.609 No H/Q in entry = 834 Start of MODEL 15 1 1H MET 1 HT3 MET 1 -7.752 -13.142 -15.902 2 2H MET 1 HT2 MET 1 -8.162 -14.105 -17.256 3 3H MET 1 HT1 MET 1 -7.309 -12.645 -17.465 4 HA MET 1 HA MET 1 -9.328 -11.867 -17.996 5 1HB MET 1 HB2 MET 1 -10.460 -13.930 -16.080 6 2HB MET 1 HB1 MET 1 -11.441 -12.731 -16.919 7 1HG MET 1 HG2 MET 1 -11.002 -13.660 -19.025 8 2HG MET 1 HG1 MET 1 -9.632 -14.591 -18.434 9 1HE MET 1 HE2 MET 1 -10.005 -16.838 -19.081 10 2HE MET 1 HE1 MET 1 -9.909 -17.111 -17.343 11 3HE MET 1 HE3 MET 1 -11.149 -17.932 -18.299 12 H GLU 2 HN GLU 2 -7.427 -11.040 -16.041 13 HA GLU 2 HA GLU 2 -9.074 -9.699 -13.984 14 1HB GLU 2 HB2 GLU 2 -6.185 -10.545 -14.118 15 2HB GLU 2 HB1 GLU 2 -6.734 -9.349 -12.953 16 1HG GLU 2 HG2 GLU 2 -6.699 -11.562 -11.930 17 2HG GLU 2 HG1 GLU 2 -8.351 -10.976 -12.051 18 H GLY 3 HN GLY 3 -8.850 -7.479 -13.675 19 1HA GLY 3 HA2 GLY 3 -7.021 -5.711 -14.663 20 2HA GLY 3 HA1 GLY 3 -8.137 -5.934 -16.005 21 H PHE 4 HN PHE 4 -7.973 -3.467 -15.129 22 HA PHE 4 HA PHE 4 -9.847 -2.819 -13.019 23 1HB PHE 4 HB2 PHE 4 -8.110 -1.284 -14.898 24 2HB PHE 4 HB1 PHE 4 -9.490 -0.451 -14.200 25 HD1 PHE 4 HD1 PHE 4 -9.750 -0.742 -11.568 26 HD2 PHE 4 HD2 PHE 4 -6.115 -1.250 -13.757 27 HE1 PHE 4 HE1 PHE 4 -8.446 -0.348 -9.511 28 HE2 PHE 4 HE2 PHE 4 -4.829 -0.859 -11.708 29 HZ PHE 4 HZ PHE 4 -6.057 -0.379 -9.546 30 H LEU 5 HN LEU 5 -11.811 -1.756 -13.274 31 HA LEU 5 HA LEU 5 -13.058 -1.485 -15.888 32 1HB LEU 5 HB2 LEU 5 -13.632 -3.745 -14.056 33 2HB LEU 5 HB1 LEU 5 -15.052 -2.877 -14.614 34 HG LEU 5 HG LEU 5 -12.953 -4.158 -16.361 35 1HD1 LEU 5 HD12 LEU 5 -15.779 -4.890 -15.632 36 2HD1 LEU 5 HD11 LEU 5 -14.976 -5.532 -17.064 37 3HD1 LEU 5 HD13 LEU 5 -14.319 -5.862 -15.461 38 1HD2 LEU 5 HD23 LEU 5 -15.175 -2.285 -16.954 39 2HD2 LEU 5 HD22 LEU 5 -13.603 -2.460 -17.742 40 3HD2 LEU 5 HD21 LEU 5 -14.897 -3.611 -18.081 41 H ASN 6 HN ASN 6 -14.844 -0.109 -15.826 42 HA ASN 6 HA ASN 6 -15.177 1.472 -13.364 43 1HB ASN 6 HB2 ASN 6 -15.090 2.246 -15.982 44 2HB ASN 6 HB1 ASN 6 -16.828 2.075 -15.763 45 1HD2 ASN 6 HD22 ASN 6 -15.894 5.560 -14.901 46 2HD2 ASN 6 HD21 ASN 6 -15.788 4.542 -16.302 47 H ARG 7 HN ARG 7 -16.915 1.143 -12.003 48 HA ARG 7 HA ARG 7 -19.053 -0.691 -12.962 49 1HB ARG 7 HB2 ARG 7 -17.465 -1.655 -11.274 50 2HB ARG 7 HB1 ARG 7 -18.049 -0.456 -10.120 51 1HG ARG 7 HG2 ARG 7 -20.246 -1.372 -10.131 52 2HG ARG 7 HG1 ARG 7 -19.916 -2.329 -11.574 53 1HD ARG 7 HD2 ARG 7 -19.737 -3.964 -9.965 54 2HD ARG 7 HD1 ARG 7 -18.060 -3.423 -10.043 55 HE ARG 7 HE ARG 7 -18.622 -1.977 -8.051 56 1HH1 ARG 7 HH21 ARG 7 -21.234 -2.121 -7.181 57 2HH1 ARG 7 HH22 ARG 7 -21.424 -3.600 -6.269 58 1HH2 ARG 7 HH11 ARG 7 -18.452 -5.045 -7.490 59 2HH2 ARG 7 HH12 ARG 7 -19.816 -5.262 -6.428 60 H LYS 8 HN LYS 8 -21.058 -0.038 -12.824 61 HA LYS 8 HA LYS 8 -21.908 2.010 -10.900 62 1HB LYS 8 HB2 LYS 8 -21.368 3.281 -12.907 63 2HB LYS 8 HB1 LYS 8 -22.323 2.201 -13.899 64 1HG LYS 8 HG2 LYS 8 -24.070 3.123 -11.874 65 2HG LYS 8 HG1 LYS 8 -23.146 4.531 -12.375 66 1HD LYS 8 HD2 LYS 8 -24.476 4.740 -14.164 67 2HD LYS 8 HD1 LYS 8 -23.865 3.205 -14.758 68 1HE LYS 8 HE2 LYS 8 -26.254 3.054 -14.698 69 2HE LYS 8 HE1 LYS 8 -25.622 2.028 -13.413 70 1HZ LYS 8 HZ2 LYS 8 -26.169 4.726 -12.573 71 2HZ LYS 8 HZ1 LYS 8 -27.546 3.893 -13.124 72 3HZ LYS 8 HZ3 LYS 8 -26.615 3.245 -11.859 73 H HIS 9 HN HIS 9 -23.498 0.980 -9.848 74 HA HIS 9 HA HIS 9 -24.953 -1.209 -10.997 75 1HB HIS 9 HB2 HIS 9 -26.286 -1.113 -8.874 76 2HB HIS 9 HB1 HIS 9 -24.562 -1.345 -8.667 77 HD1 HIS 9 HD1 HIS 9 -25.727 -0.480 -6.223 78 HD2 HIS 9 HD2 HIS 9 -24.782 2.347 -9.100 79 HE1 HIS 9 HE1 HIS 9 -25.516 1.677 -4.974 80 H GLU 10 HN GLU 10 -26.977 -1.274 -11.831 81 HA GLU 10 HA GLU 10 -28.275 1.309 -12.428 82 1HB GLU 10 HB2 GLU 10 -27.841 -1.167 -13.920 83 2HB GLU 10 HB1 GLU 10 -29.528 -0.673 -13.947 84 1HG GLU 10 HG2 GLU 10 -27.216 1.141 -14.646 85 2HG GLU 10 HG1 GLU 10 -28.169 0.257 -15.829 86 H TRP 11 HN TRP 11 -29.030 -2.009 -11.435 87 HA TRP 11 HA TRP 11 -31.329 -1.026 -9.872 88 1HB TRP 11 HB2 TRP 11 -32.388 -1.784 -11.862 89 2HB TRP 11 HB1 TRP 11 -31.329 -3.176 -11.994 90 HD1 TRP 11 HD1 TRP 11 -34.462 -1.966 -10.078 91 HE1 TRP 11 HE1 TRP 11 -35.594 -4.024 -9.063 92 HE3 TRP 11 HE3 TRP 11 -30.965 -5.555 -11.164 93 HZ2 TRP 11 HZ2 TRP 11 -35.119 -6.766 -8.750 94 HZ3 TRP 11 HZ3 TRP 11 -31.374 -7.879 -10.479 95 HH2 TRP 11 HH2 TRP 11 -33.437 -8.482 -9.278 96 H GLU 12 HN GLU 12 -31.363 -1.913 -7.878 97 HA GLU 12 HA GLU 12 -30.367 -4.532 -7.263 98 1HB GLU 12 HB2 GLU 12 -28.544 -3.736 -5.725 99 2HB GLU 12 HB1 GLU 12 -28.198 -3.530 -7.435 100 1HG GLU 12 HG2 GLU 12 -28.136 -1.266 -7.289 101 2HG GLU 12 HG1 GLU 12 -29.516 -1.196 -6.195 102 H ALA 13 HN ALA 13 -32.811 -3.050 -6.823 103 HA ALA 13 HA ALA 13 -33.111 -3.533 -3.986 104 1HB ALA 13 HB1 ALA 13 -32.175 -1.196 -4.103 105 2HB ALA 13 HB3 ALA 13 -33.641 -0.718 -4.963 106 3HB ALA 13 HB2 ALA 13 -33.745 -1.330 -3.312 107 H HIS 14 HN HIS 14 -34.457 -5.076 -5.209 108 HA HIS 14 HA HIS 14 -36.448 -5.930 -5.923 109 1HB HIS 14 HB2 HIS 14 -37.294 -3.735 -4.060 110 2HB HIS 14 HB1 HIS 14 -38.508 -4.680 -4.909 111 HD1 HIS 14 HD1 HIS 14 -38.058 -7.413 -4.611 112 HD2 HIS 14 HD2 HIS 14 -36.619 -4.886 -1.665 113 HE1 HIS 14 HE1 HIS 14 -37.736 -8.873 -2.601 114 H ASN 15 HN ASN 15 -37.752 -2.649 -5.904 115 HA ASN 15 HA ASN 15 -37.891 -2.662 -8.861 116 1HB ASN 15 HB2 ASN 15 -40.056 -3.427 -7.828 117 2HB ASN 15 HB1 ASN 15 -40.174 -1.858 -7.035 118 1HD2 ASN 15 HD22 ASN 15 -41.945 -0.653 -9.792 119 2HD2 ASN 15 HD21 ASN 15 -41.838 -0.910 -8.071 120 H LYS 16 HN LYS 16 -35.902 -1.330 -7.884 121 HA LYS 16 HA LYS 16 -36.587 1.487 -8.224 122 1HB LYS 16 HB2 LYS 16 -35.642 0.298 -5.663 123 2HB LYS 16 HB1 LYS 16 -34.853 1.789 -6.165 124 1HG LYS 16 HG2 LYS 16 -37.024 2.907 -6.311 125 2HG LYS 16 HG1 LYS 16 -37.837 1.411 -5.863 126 1HD LYS 16 HD2 LYS 16 -36.949 1.451 -3.666 127 2HD LYS 16 HD1 LYS 16 -35.749 2.666 -4.090 128 1HE LYS 16 HE2 LYS 16 -37.502 3.692 -2.781 129 2HE LYS 16 HE1 LYS 16 -37.561 4.321 -4.424 130 1HZ LYS 16 HZ2 LYS 16 -39.221 2.090 -4.368 131 2HZ LYS 16 HZ1 LYS 16 -39.571 2.983 -2.959 132 3HZ LYS 16 HZ3 LYS 16 -39.676 3.734 -4.481 133 H LYS 17 HN LYS 17 -34.902 2.653 -9.109 134 HA LYS 17 HA LYS 17 -32.654 1.127 -10.182 135 1HB LYS 17 HB2 LYS 17 -33.683 3.929 -10.654 136 2HB LYS 17 HB1 LYS 17 -32.158 3.366 -11.329 137 1HG LYS 17 HG2 LYS 17 -34.726 1.849 -11.758 138 2HG LYS 17 HG1 LYS 17 -34.257 3.183 -12.808 139 1HD LYS 17 HD2 LYS 17 -32.061 1.975 -13.177 140 2HD LYS 17 HD1 LYS 17 -32.762 0.597 -12.334 141 1HE LYS 17 HE2 LYS 17 -34.410 0.270 -14.005 142 2HE LYS 17 HE1 LYS 17 -34.101 1.847 -14.730 143 1HZ LYS 17 HZ2 LYS 17 -31.798 0.981 -15.206 144 2HZ LYS 17 HZ1 LYS 17 -32.394 -0.573 -14.813 145 3HZ LYS 17 HZ3 LYS 17 -33.067 0.292 -16.119 146 H ALA 18 HN ALA 18 -30.456 1.911 -9.984 147 HA ALA 18 HA ALA 18 -29.920 3.229 -7.384 148 1HB ALA 18 HB3 ALA 18 -29.238 0.804 -7.698 149 2HB ALA 18 HB2 ALA 18 -28.056 1.383 -8.871 150 3HB ALA 18 HB1 ALA 18 -27.963 1.910 -7.188 151 H SER 19 HN SER 19 -29.147 5.205 -7.541 152 HA SER 19 HA SER 19 -27.259 5.910 -9.702 153 1HB SER 19 HB2 SER 19 -29.474 7.773 -8.828 154 2HB SER 19 HB1 SER 19 -28.372 7.953 -10.188 155 HG SER 19 HG SER 19 -30.577 6.195 -9.907 156 H SER 20 HN SER 20 -26.801 5.210 -6.932 157 HA SER 20 HA SER 20 -26.096 7.739 -5.609 158 1HB SER 20 HB2 SER 20 -25.264 5.717 -3.931 159 2HB SER 20 HB1 SER 20 -26.821 6.529 -3.849 160 HG SER 20 HG SER 20 -26.974 4.198 -3.924 161 H ARG 21 HN ARG 21 -24.075 8.514 -5.612 162 HA ARG 21 HA ARG 21 -21.804 8.706 -5.827 163 1HB ARG 21 HB2 ARG 21 -21.582 5.696 -6.074 164 2HB ARG 21 HB1 ARG 21 -20.351 6.841 -5.564 165 1HG ARG 21 HG2 ARG 21 -21.888 7.397 -3.594 166 2HG ARG 21 HG1 ARG 21 -22.812 5.970 -4.050 167 1HD ARG 21 HD2 ARG 21 -20.519 4.741 -3.949 168 2HD ARG 21 HD1 ARG 21 -20.002 6.137 -3.000 169 HE ARG 21 HE ARG 21 -22.455 4.725 -2.175 170 1HH1 ARG 21 HH11 ARG 21 -21.634 6.409 -0.090 171 2HH1 ARG 21 HH12 ARG 21 -20.511 5.486 0.879 172 1HH2 ARG 21 HH21 ARG 21 -19.878 3.112 -1.641 173 2HH2 ARG 21 HH22 ARG 21 -19.526 3.596 0.000 174 H SER 22 HN SER 22 -22.841 6.009 -7.870 175 HA SER 22 HA SER 22 -22.817 5.589 -10.067 176 1HB SER 22 HB2 SER 22 -22.534 8.568 -10.431 177 2HB SER 22 HB1 SER 22 -23.159 7.397 -11.582 178 HG SER 22 HG SER 22 -24.374 8.493 -9.314 179 H TRP 23 HN TRP 23 -21.294 4.629 -11.118 180 HA TRP 23 HA TRP 23 -19.341 4.017 -12.065 181 1HB TRP 23 HB2 TRP 23 -19.266 6.992 -12.565 182 2HB TRP 23 HB1 TRP 23 -18.059 5.888 -13.215 183 HD1 TRP 23 HD1 TRP 23 -21.267 7.396 -14.230 184 HE1 TRP 23 HE1 TRP 23 -22.356 6.022 -16.093 185 HE3 TRP 23 HE3 TRP 23 -18.436 3.154 -13.954 186 HZ2 TRP 23 HZ2 TRP 23 -22.061 3.470 -17.313 187 HZ3 TRP 23 HZ3 TRP 23 -18.857 1.305 -15.491 188 HH2 TRP 23 HH2 TRP 23 -20.659 1.450 -17.165 189 H HIS 24 HN HIS 24 -18.055 3.071 -10.678 190 HA HIS 24 HA HIS 24 -16.050 4.682 -9.216 191 1HB HIS 24 HB2 HIS 24 -17.928 3.577 -7.826 192 2HB HIS 24 HB1 HIS 24 -17.175 2.044 -8.252 193 HD1 HIS 24 HD1 HIS 24 -16.740 5.029 -6.107 194 HD2 HIS 24 HD2 HIS 24 -14.675 1.578 -7.057 195 HE1 HIS 24 HE1 HIS 24 -14.953 4.848 -4.353 196 H ASN 25 HN ASN 25 -13.975 4.043 -9.570 197 HA ASN 25 HA ASN 25 -13.451 2.010 -11.576 198 1HB ASN 25 HB2 ASN 25 -12.201 4.232 -11.324 199 2HB ASN 25 HB1 ASN 25 -11.390 3.514 -9.933 200 1HD2 ASN 25 HD22 ASN 25 -9.029 1.923 -11.925 201 2HD2 ASN 25 HD21 ASN 25 -9.483 2.615 -10.407 202 H VAL 26 HN VAL 26 -13.327 -0.096 -11.065 203 HA VAL 26 HA VAL 26 -12.092 -0.899 -8.498 204 HB VAL 26 HB VAL 26 -14.675 -0.942 -8.606 205 1HG1 VAL 26 HG13 VAL 26 -14.666 -2.105 -10.866 206 2HG1 VAL 26 HG12 VAL 26 -14.235 -3.576 -9.989 207 3HG1 VAL 26 HG11 VAL 26 -15.758 -2.752 -9.644 208 1HG2 VAL 26 HG22 VAL 26 -13.084 -2.092 -6.943 209 2HG2 VAL 26 HG21 VAL 26 -14.760 -2.624 -7.019 210 3HG2 VAL 26 HG23 VAL 26 -13.501 -3.575 -7.807 211 H TYR 27 HN TYR 27 -11.242 -3.055 -8.489 212 HA TYR 27 HA TYR 27 -10.224 -3.901 -11.133 213 1HB TYR 27 HB2 TYR 27 -8.708 -3.291 -9.144 214 2HB TYR 27 HB1 TYR 27 -9.224 -4.808 -8.436 215 HD1 TYR 27 HD1 TYR 27 -7.267 -3.239 -11.106 216 HD2 TYR 27 HD2 TYR 27 -8.516 -6.938 -9.377 217 HE1 TYR 27 HE1 TYR 27 -5.556 -4.432 -12.417 218 HE2 TYR 27 HE2 TYR 27 -6.808 -8.128 -10.689 219 HH TYR 27 HH TYR 27 -4.453 -7.397 -11.787 220 H CYS 28 HN CYS 28 -11.324 -5.510 -12.038 221 HA CYS 28 HA CYS 28 -12.903 -7.357 -10.385 222 1HB CYS 28 HB2 CYS 28 -12.853 -6.878 -13.373 223 2HB CYS 28 HB1 CYS 28 -13.913 -8.020 -12.551 224 HG CYS 28 HG CYS 28 -14.105 -5.044 -11.723 225 H VAL 29 HN VAL 29 -12.579 -9.487 -10.275 226 HA VAL 29 HA VAL 29 -10.425 -10.772 -11.833 227 HB VAL 29 HB VAL 29 -10.854 -11.006 -8.842 228 1HG1 VAL 29 HG13 VAL 29 -9.286 -12.595 -10.774 229 2HG1 VAL 29 HG12 VAL 29 -8.434 -12.134 -9.302 230 3HG1 VAL 29 HG11 VAL 29 -9.943 -13.047 -9.201 231 1HG2 VAL 29 HG23 VAL 29 -8.761 -9.577 -10.461 232 2HG2 VAL 29 HG22 VAL 29 -9.801 -8.931 -9.188 233 3HG2 VAL 29 HG21 VAL 29 -8.500 -10.048 -8.784 234 H ILE 30 HN ILE 30 -10.909 -12.876 -12.436 235 HA ILE 30 HA ILE 30 -13.527 -13.959 -11.528 236 HB ILE 30 HB ILE 30 -12.202 -14.627 -14.151 237 1HG1 ILE 30 HG12 ILE 30 -14.149 -12.393 -13.545 238 2HG1 ILE 30 HG11 ILE 30 -12.535 -12.244 -14.234 239 1HG2 ILE 30 HG21 ILE 30 -13.948 -16.155 -13.289 240 2HG2 ILE 30 HG23 ILE 30 -15.081 -14.800 -13.237 241 3HG2 ILE 30 HG22 ILE 30 -14.433 -15.356 -14.783 242 1HD1 ILE 30 HD11 ILE 30 -13.580 -13.865 -16.076 243 2HD1 ILE 30 HD13 ILE 30 -15.077 -13.114 -15.523 244 3HD1 ILE 30 HD12 ILE 30 -13.774 -12.114 -16.164 245 H ASN 31 HN ASN 31 -13.315 -15.689 -10.263 246 HA ASN 31 HA ASN 31 -10.939 -17.438 -10.595 247 1HB ASN 31 HB2 ASN 31 -11.509 -16.045 -8.364 248 2HB ASN 31 HB1 ASN 31 -12.483 -17.473 -8.033 249 1HD2 ASN 31 HD22 ASN 31 -9.663 -19.657 -7.738 250 2HD2 ASN 31 HD21 ASN 31 -11.345 -19.581 -8.156 251 H ASN 32 HN ASN 32 -13.226 -17.745 -12.198 252 HA ASN 32 HA ASN 32 -14.535 -19.402 -13.059 253 1HB ASN 32 HB2 ASN 32 -12.600 -20.868 -12.316 254 2HB ASN 32 HB1 ASN 32 -13.534 -21.235 -10.867 255 1HD2 ASN 32 HD22 ASN 32 -14.850 -22.621 -14.513 256 2HD2 ASN 32 HD21 ASN 32 -13.869 -21.189 -14.414 257 H GLN 33 HN GLN 33 -16.604 -18.970 -12.857 258 HA GLN 33 HA GLN 33 -18.753 -18.961 -12.127 259 1HB GLN 33 HB2 GLN 33 -17.682 -21.254 -10.918 260 2HB GLN 33 HB1 GLN 33 -18.547 -20.423 -9.633 261 1HG GLN 33 HG2 GLN 33 -20.284 -21.629 -10.515 262 2HG GLN 33 HG1 GLN 33 -20.417 -20.189 -11.520 263 1HE2 GLN 33 HE22 GLN 33 -18.534 -22.016 -14.212 264 2HE2 GLN 33 HE21 GLN 33 -18.195 -20.635 -13.226 265 H GLU 34 HN GLU 34 -16.266 -17.993 -9.912 266 HA GLU 34 HA GLU 34 -18.118 -16.112 -8.588 267 1HB GLU 34 HB2 GLU 34 -16.341 -18.103 -7.421 268 2HB GLU 34 HB1 GLU 34 -15.902 -16.486 -6.887 269 1HG GLU 34 HG2 GLU 34 -17.473 -17.045 -5.294 270 2HG GLU 34 HG1 GLU 34 -18.479 -16.211 -6.472 271 H MET 35 HN MET 35 -17.559 -14.026 -8.740 272 HA MET 35 HA MET 35 -14.866 -13.349 -9.782 273 1HB MET 35 HB2 MET 35 -15.793 -11.416 -10.841 274 2HB MET 35 HB1 MET 35 -16.792 -12.789 -11.301 275 1HG MET 35 HG2 MET 35 -18.448 -12.150 -9.597 276 2HG MET 35 HG1 MET 35 -17.453 -10.775 -9.142 277 1HE MET 35 HE2 MET 35 -16.743 -8.978 -10.593 278 2HE MET 35 HE1 MET 35 -16.651 -9.421 -12.298 279 3HE MET 35 HE3 MET 35 -17.815 -8.202 -11.757 280 H GLY 36 HN GLY 36 -13.747 -11.671 -8.783 281 1HA GLY 36 HA2 GLY 36 -14.771 -10.847 -6.121 282 2HA GLY 36 HA1 GLY 36 -13.086 -11.190 -6.464 283 H PHE 37 HN PHE 37 -14.681 -8.751 -5.547 284 HA PHE 37 HA PHE 37 -13.786 -6.765 -7.556 285 1HB PHE 37 HB2 PHE 37 -15.800 -6.628 -5.306 286 2HB PHE 37 HB1 PHE 37 -15.243 -5.210 -6.186 287 HD1 PHE 37 HD1 PHE 37 -15.549 -5.198 -8.743 288 HD2 PHE 37 HD2 PHE 37 -17.583 -7.887 -6.119 289 HE1 PHE 37 HE1 PHE 37 -17.245 -5.613 -10.478 290 HE2 PHE 37 HE2 PHE 37 -19.281 -8.296 -7.856 291 HZ PHE 37 HZ PHE 37 -19.111 -7.126 -10.051 292 H TYR 38 HN TYR 38 -11.733 -6.263 -7.103 293 HA TYR 38 HA TYR 38 -10.960 -5.663 -4.299 294 1HB TYR 38 HB2 TYR 38 -9.284 -6.611 -6.638 295 2HB TYR 38 HB1 TYR 38 -8.650 -6.154 -5.066 296 HD1 TYR 38 HD1 TYR 38 -9.418 -7.454 -3.017 297 HD2 TYR 38 HD2 TYR 38 -10.083 -8.770 -7.016 298 HE1 TYR 38 HE1 TYR 38 -9.788 -9.746 -2.201 299 HE2 TYR 38 HE2 TYR 38 -10.449 -11.065 -6.210 300 HH TYR 38 HH TYR 38 -10.237 -12.454 -4.436 301 H LYS 39 HN LYS 39 -8.847 -4.160 -4.433 302 HA LYS 39 HA LYS 39 -9.793 -1.655 -5.586 303 1HB LYS 39 HB2 LYS 39 -8.835 -1.908 -3.249 304 2HB LYS 39 HB1 LYS 39 -7.256 -2.101 -4.004 305 1HG LYS 39 HG2 LYS 39 -7.262 0.101 -4.844 306 2HG LYS 39 HG1 LYS 39 -9.004 0.265 -4.652 307 1HD LYS 39 HD2 LYS 39 -8.344 1.484 -2.830 308 2HD LYS 39 HD1 LYS 39 -8.395 -0.111 -2.087 309 1HE LYS 39 HE2 LYS 39 -6.325 0.948 -1.450 310 2HE LYS 39 HE1 LYS 39 -5.956 -0.362 -2.568 311 1HZ LYS 39 HZ1 LYS 39 -6.388 2.202 -3.834 312 2HZ LYS 39 HZ3 LYS 39 -5.030 2.139 -2.804 313 3HZ LYS 39 HZ2 LYS 39 -5.172 1.033 -4.093 314 H ASP 40 HN ASP 40 -6.959 -3.764 -5.899 315 HA ASP 40 HA ASP 40 -6.526 -2.930 -8.627 316 1HB ASP 40 HB2 ASP 40 -4.458 -1.876 -8.444 317 2HB ASP 40 HB1 ASP 40 -5.344 -1.207 -7.078 318 H ALA 41 HN ALA 41 -4.076 -3.896 -9.132 319 HA ALA 41 HA ALA 41 -4.433 -6.698 -9.232 320 1HB ALA 41 HB3 ALA 41 -3.114 -5.363 -10.867 321 2HB ALA 41 HB2 ALA 41 -1.865 -5.143 -9.638 322 3HB ALA 41 HB1 ALA 41 -2.236 -6.760 -10.247 323 H LYS 42 HN LYS 42 -2.469 -4.650 -7.102 324 HA LYS 42 HA LYS 42 -1.132 -6.793 -5.755 325 1HB LYS 42 HB2 LYS 42 -1.642 -3.949 -4.842 326 2HB LYS 42 HB1 LYS 42 -0.499 -5.074 -4.115 327 1HG LYS 42 HG2 LYS 42 0.050 -4.973 -6.914 328 2HG LYS 42 HG1 LYS 42 -0.105 -3.317 -6.330 329 1HD LYS 42 HD2 LYS 42 1.650 -3.555 -4.787 330 2HD LYS 42 HD1 LYS 42 1.559 -5.316 -4.825 331 1HE LYS 42 HE2 LYS 42 3.541 -4.323 -6.026 332 2HE LYS 42 HE1 LYS 42 2.551 -5.411 -6.993 333 1HZ LYS 42 HZ3 LYS 42 2.075 -2.505 -7.041 334 2HZ LYS 42 HZ2 LYS 42 3.283 -3.213 -8.008 335 3HZ LYS 42 HZ1 LYS 42 1.659 -3.682 -8.202 336 H SER 43 HN SER 43 -4.034 -4.865 -5.040 337 HA SER 43 HA SER 43 -4.621 -6.002 -2.510 338 1HB SER 43 HB2 SER 43 -6.735 -4.922 -2.696 339 2HB SER 43 HB1 SER 43 -5.563 -3.866 -3.479 340 HG SER 43 HG SER 43 -6.351 -5.364 -5.408 341 H ALA 44 HN ALA 44 -5.381 -7.000 -5.795 342 HA ALA 44 HA ALA 44 -7.294 -9.026 -5.118 343 1HB ALA 44 HB2 ALA 44 -5.715 -8.404 -7.615 344 2HB ALA 44 HB1 ALA 44 -6.796 -9.796 -7.509 345 3HB ALA 44 HB3 ALA 44 -7.438 -8.164 -7.316 346 H ALA 45 HN ALA 45 -3.833 -9.067 -5.940 347 HA ALA 45 HA ALA 45 -3.483 -11.886 -5.776 348 1HB ALA 45 HB1 ALA 45 -1.951 -10.187 -6.902 349 2HB ALA 45 HB3 ALA 45 -1.328 -9.829 -5.287 350 3HB ALA 45 HB2 ALA 45 -1.165 -11.452 -5.960 351 H SER 46 HN SER 46 -3.124 -9.278 -3.413 352 HA SER 46 HA SER 46 -2.094 -10.957 -1.316 353 1HB SER 46 HB2 SER 46 -1.954 -8.323 -1.728 354 2HB SER 46 HB1 SER 46 -3.401 -8.329 -0.728 355 HG SER 46 HG SER 46 -2.204 -9.423 0.899 356 H GLY 47 HN GLY 47 -5.284 -9.558 -2.091 357 1HA GLY 47 HA2 GLY 47 -7.349 -10.643 -1.689 358 2HA GLY 47 HA1 GLY 47 -6.586 -11.615 -0.437 359 H ILE 48 HN ILE 48 -7.135 -8.162 -1.151 360 HA ILE 48 HA ILE 48 -7.682 -7.655 1.708 361 HB ILE 48 HB ILE 48 -7.287 -5.533 -0.397 362 1HG1 ILE 48 HG12 ILE 48 -5.114 -7.013 1.108 363 2HG1 ILE 48 HG11 ILE 48 -5.354 -7.004 -0.634 364 1HG2 ILE 48 HG21 ILE 48 -8.106 -4.894 1.851 365 2HG2 ILE 48 HG23 ILE 48 -6.647 -5.587 2.557 366 3HG2 ILE 48 HG22 ILE 48 -6.530 -4.197 1.480 367 1HD1 ILE 48 HD11 ILE 48 -4.985 -4.516 -0.596 368 2HD1 ILE 48 HD13 ILE 48 -4.532 -4.673 1.105 369 3HD1 ILE 48 HD12 ILE 48 -3.572 -5.476 -0.143 370 HA PRO 49 HA PRO 49 -11.996 -7.397 0.448 371 1HB PRO 49 HB2 PRO 49 -13.040 -6.640 2.849 372 2HB PRO 49 HB1 PRO 49 -12.536 -8.293 2.473 373 1HG PRO 49 HG2 PRO 49 -11.126 -6.201 4.052 374 2HG PRO 49 HG1 PRO 49 -11.212 -7.947 4.323 375 1HD PRO 49 HD2 PRO 49 -9.059 -6.654 3.200 376 2HD PRO 49 HD1 PRO 49 -9.448 -8.366 2.932 377 H TYR 50 HN TYR 50 -11.568 -5.588 -0.968 378 HA TYR 50 HA TYR 50 -11.504 -2.871 -0.080 379 1HB TYR 50 HB2 TYR 50 -10.544 -3.642 -2.228 380 2HB TYR 50 HB1 TYR 50 -12.163 -3.986 -2.814 381 HD1 TYR 50 HD1 TYR 50 -10.660 -1.062 -0.999 382 HD2 TYR 50 HD2 TYR 50 -12.762 -2.465 -4.447 383 HE1 TYR 50 HE1 TYR 50 -10.862 1.250 -1.824 384 HE2 TYR 50 HE2 TYR 50 -12.955 -0.150 -5.267 385 HH TYR 50 HH TYR 50 -12.957 2.246 -4.039 386 H HIS 51 HN HIS 51 -14.062 -5.038 -1.117 387 HA HIS 51 HA HIS 51 -16.114 -2.967 -0.563 388 1HB HIS 51 HB2 HIS 51 -15.804 -4.950 -2.749 389 2HB HIS 51 HB1 HIS 51 -17.415 -4.865 -2.056 390 HD1 HIS 51 HD1 HIS 51 -18.816 -3.454 -3.469 391 HD2 HIS 51 HD2 HIS 51 -14.975 -1.926 -3.208 392 HE1 HIS 51 HE1 HIS 51 -18.859 -1.350 -4.828 393 H SER 52 HN SER 52 -18.292 -4.156 -0.041 394 HA SER 52 HA SER 52 -17.831 -5.764 2.336 395 1HB SER 52 HB2 SER 52 -20.523 -5.847 2.035 396 2HB SER 52 HB1 SER 52 -19.672 -4.502 2.787 397 HG SER 52 HG SER 52 -20.811 -4.686 0.198 398 H GLU 53 HN GLU 53 -19.779 -6.257 -0.598 399 HA GLU 53 HA GLU 53 -19.662 -9.169 -0.303 400 1HB GLU 53 HB2 GLU 53 -20.987 -7.607 -2.533 401 2HB GLU 53 HB1 GLU 53 -21.325 -9.248 -2.001 402 1HG GLU 53 HG2 GLU 53 -23.046 -8.297 -0.882 403 2HG GLU 53 HG1 GLU 53 -21.813 -7.868 0.300 404 H VAL 54 HN VAL 54 -17.271 -8.974 -0.584 405 HA VAL 54 HA VAL 54 -16.045 -8.137 -2.968 406 HB VAL 54 HB VAL 54 -14.733 -10.394 -1.586 407 1HG1 VAL 54 HG13 VAL 54 -13.774 -8.719 -3.282 408 2HG1 VAL 54 HG12 VAL 54 -13.705 -7.598 -1.919 409 3HG1 VAL 54 HG11 VAL 54 -12.811 -9.118 -1.859 410 1HG2 VAL 54 HG21 VAL 54 -15.546 -7.912 -0.099 411 2HG2 VAL 54 HG23 VAL 54 -15.737 -9.594 0.390 412 3HG2 VAL 54 HG22 VAL 54 -14.134 -8.862 0.357 413 HA PRO 55 HA PRO 55 -16.403 -12.548 -4.682 414 1HB PRO 55 HB2 PRO 55 -17.491 -14.548 -3.208 415 2HB PRO 55 HB1 PRO 55 -15.797 -14.060 -3.082 416 1HG PRO 55 HG2 PRO 55 -17.998 -13.661 -1.190 417 2HG PRO 55 HG1 PRO 55 -16.254 -13.600 -0.913 418 1HD PRO 55 HD2 PRO 55 -18.095 -11.410 -1.266 419 2HD PRO 55 HD1 PRO 55 -16.363 -11.349 -0.909 420 H VAL 56 HN VAL 56 -17.889 -12.346 -6.250 421 HA VAL 56 HA VAL 56 -20.778 -12.527 -5.577 422 HB VAL 56 HB VAL 56 -19.385 -10.961 -7.759 423 1HG1 VAL 56 HG13 VAL 56 -22.246 -11.763 -7.431 424 2HG1 VAL 56 HG12 VAL 56 -21.877 -10.170 -8.084 425 3HG1 VAL 56 HG11 VAL 56 -21.279 -11.616 -8.899 426 1HG2 VAL 56 HG22 VAL 56 -20.767 -10.257 -5.206 427 2HG2 VAL 56 HG21 VAL 56 -19.293 -9.589 -5.912 428 3HG2 VAL 56 HG23 VAL 56 -20.870 -9.138 -6.567 429 H SER 57 HN SER 57 -21.871 -14.156 -6.506 430 HA SER 57 HA SER 57 -20.484 -16.149 -8.027 431 1HB SER 57 HB2 SER 57 -23.374 -15.889 -7.254 432 2HB SER 57 HB1 SER 57 -22.605 -17.333 -7.870 433 HG SER 57 HG SER 57 -21.189 -17.248 -6.012 434 H LEU 58 HN LEU 58 -20.081 -15.825 -10.098 435 HA LEU 58 HA LEU 58 -21.878 -14.326 -11.850 436 1HB LEU 58 HB2 LEU 58 -19.281 -14.212 -11.783 437 2HB LEU 58 HB1 LEU 58 -19.338 -15.715 -12.692 438 HG LEU 58 HG LEU 58 -20.940 -14.436 -14.273 439 1HD1 LEU 58 HD12 LEU 58 -20.688 -12.443 -12.406 440 2HD1 LEU 58 HD11 LEU 58 -19.513 -11.948 -13.627 441 3HD1 LEU 58 HD13 LEU 58 -21.202 -12.206 -14.073 442 1HD2 LEU 58 HD23 LEU 58 -17.988 -14.312 -14.039 443 2HD2 LEU 58 HD22 LEU 58 -19.000 -14.932 -15.346 444 3HD2 LEU 58 HD21 LEU 58 -18.731 -13.196 -15.187 445 H LYS 59 HN LYS 59 -23.263 -16.416 -11.016 446 HA LYS 59 HA LYS 59 -23.006 -18.698 -12.827 447 1HB LYS 59 HB2 LYS 59 -23.599 -18.878 -10.361 448 2HB LYS 59 HB1 LYS 59 -25.162 -18.182 -10.771 449 1HG LYS 59 HG2 LYS 59 -25.524 -20.057 -12.380 450 2HG LYS 59 HG1 LYS 59 -24.012 -20.775 -11.830 451 1HD LYS 59 HD2 LYS 59 -25.635 -21.888 -10.565 452 2HD LYS 59 HD1 LYS 59 -25.039 -20.650 -9.466 453 1HE LYS 59 HE2 LYS 59 -27.226 -20.145 -9.165 454 2HE LYS 59 HE1 LYS 59 -27.077 -19.309 -10.708 455 1HZ LYS 59 HZ1 LYS 59 -27.830 -22.166 -10.525 456 2HZ LYS 59 HZ3 LYS 59 -28.975 -20.917 -10.476 457 3HZ LYS 59 HZ2 LYS 59 -27.992 -21.112 -11.860 458 H GLU 60 HN GLU 60 -23.841 -18.513 -14.813 459 HA GLU 60 HA GLU 60 -25.176 -17.942 -16.591 460 1HB GLU 60 HB2 GLU 60 -27.383 -17.864 -14.526 461 2HB GLU 60 HB1 GLU 60 -27.569 -18.094 -16.261 462 1HG GLU 60 HG2 GLU 60 -26.807 -20.285 -16.195 463 2HG GLU 60 HG1 GLU 60 -25.876 -20.035 -14.719 464 H ALA 61 HN ALA 61 -23.796 -15.780 -15.809 465 HA ALA 61 HA ALA 61 -25.590 -13.525 -15.332 466 1HB ALA 61 HB3 ALA 61 -23.315 -13.733 -14.277 467 2HB ALA 61 HB2 ALA 61 -22.620 -13.470 -15.881 468 3HB ALA 61 HB1 ALA 61 -23.602 -12.215 -15.125 469 H ILE 62 HN ILE 62 -26.485 -12.360 -16.896 470 HA ILE 62 HA ILE 62 -25.754 -12.815 -19.696 471 HB ILE 62 HB ILE 62 -27.954 -11.076 -18.557 472 1HG1 ILE 62 HG12 ILE 62 -28.113 -13.942 -19.520 473 2HG1 ILE 62 HG11 ILE 62 -28.208 -13.428 -17.841 474 1HG2 ILE 62 HG22 ILE 62 -27.164 -11.927 -21.308 475 2HG2 ILE 62 HG21 ILE 62 -28.882 -11.757 -20.948 476 3HG2 ILE 62 HG23 ILE 62 -27.796 -10.381 -20.745 477 1HD1 ILE 62 HD13 ILE 62 -30.102 -12.092 -19.669 478 2HD1 ILE 62 HD12 ILE 62 -30.373 -13.819 -19.423 479 3HD1 ILE 62 HD11 ILE 62 -30.351 -12.723 -18.042 480 H CYS 63 HN CYS 63 -24.786 -11.336 -20.987 481 HA CYS 63 HA CYS 63 -24.058 -8.706 -19.820 482 1HB CYS 63 HB2 CYS 63 -22.350 -10.849 -20.666 483 2HB CYS 63 HB1 CYS 63 -22.117 -9.488 -21.740 484 HG CYS 63 HG CYS 63 -20.726 -9.590 -19.293 485 H GLU 64 HN GLU 64 -25.179 -7.217 -20.882 486 HA GLU 64 HA GLU 64 -25.780 -7.541 -23.760 487 1HB GLU 64 HB2 GLU 64 -26.904 -5.553 -21.771 488 2HB GLU 64 HB1 GLU 64 -27.454 -5.807 -23.425 489 1HG GLU 64 HG2 GLU 64 -28.284 -8.001 -22.898 490 2HG GLU 64 HG1 GLU 64 -27.522 -7.974 -21.308 491 H VAL 65 HN VAL 65 -25.065 -6.026 -25.254 492 HA VAL 65 HA VAL 65 -22.794 -4.390 -24.443 493 HB VAL 65 HB VAL 65 -24.050 -4.542 -27.187 494 1HG1 VAL 65 HG11 VAL 65 -21.274 -3.854 -26.194 495 2HG1 VAL 65 HG13 VAL 65 -21.693 -4.086 -27.891 496 3HG1 VAL 65 HG12 VAL 65 -22.431 -2.769 -26.978 497 1HG2 VAL 65 HG22 VAL 65 -23.608 -6.832 -26.442 498 2HG2 VAL 65 HG21 VAL 65 -22.475 -6.348 -27.702 499 3HG2 VAL 65 HG23 VAL 65 -21.953 -6.381 -26.021 500 H ALA 66 HN ALA 66 -22.708 -2.203 -24.319 501 HA ALA 66 HA ALA 66 -25.037 -0.564 -25.095 502 1HB ALA 66 HB3 ALA 66 -25.277 -1.083 -22.679 503 2HB ALA 66 HB2 ALA 66 -23.673 -0.411 -22.383 504 3HB ALA 66 HB1 ALA 66 -24.979 0.632 -22.961 505 H LEU 67 HN LEU 67 -23.547 -0.099 -26.853 506 HA LEU 67 HA LEU 67 -21.056 1.265 -26.343 507 1HB LEU 67 HB2 LEU 67 -21.724 -0.161 -28.391 508 2HB LEU 67 HB1 LEU 67 -22.554 1.286 -28.955 509 HG LEU 67 HG LEU 67 -20.274 2.459 -28.492 510 1HD1 LEU 67 HD11 LEU 67 -19.221 0.584 -27.326 511 2HD1 LEU 67 HD13 LEU 67 -19.375 -0.409 -28.774 512 3HD1 LEU 67 HD12 LEU 67 -18.321 1.007 -28.781 513 1HD2 LEU 67 HD23 LEU 67 -21.349 1.117 -30.782 514 2HD2 LEU 67 HD22 LEU 67 -20.371 2.581 -30.705 515 3HD2 LEU 67 HD21 LEU 67 -19.590 1.002 -30.803 516 H ASP 68 HN ASP 68 -24.351 2.219 -27.210 517 HA ASP 68 HA ASP 68 -23.609 5.065 -27.256 518 1HB ASP 68 HB2 ASP 68 -25.183 3.795 -28.950 519 2HB ASP 68 HB1 ASP 68 -26.409 4.076 -27.719 520 H TYR 69 HN TYR 69 -23.239 4.191 -24.759 521 HA TYR 69 HA TYR 69 -25.645 4.920 -23.191 522 1HB TYR 69 HB2 TYR 69 -24.536 2.768 -22.599 523 2HB TYR 69 HB1 TYR 69 -23.059 3.652 -22.233 524 HD1 TYR 69 HD1 TYR 69 -26.685 3.530 -21.344 525 HD2 TYR 69 HD2 TYR 69 -22.718 4.429 -20.044 526 HE1 TYR 69 HE1 TYR 69 -27.525 3.960 -19.070 527 HE2 TYR 69 HE2 TYR 69 -23.566 4.857 -17.764 528 HH TYR 69 HH TYR 69 -27.028 4.552 -16.983 529 H LYS 70 HN LYS 70 -25.519 7.151 -23.536 530 HA LYS 70 HA LYS 70 -25.001 9.303 -22.980 531 1HB LYS 70 HB2 LYS 70 -22.810 8.242 -21.178 532 2HB LYS 70 HB1 LYS 70 -23.601 9.812 -21.119 533 1HG LYS 70 HG2 LYS 70 -25.778 8.505 -20.723 534 2HG LYS 70 HG1 LYS 70 -24.741 7.122 -20.380 535 1HD LYS 70 HD2 LYS 70 -23.689 8.266 -18.558 536 2HD LYS 70 HD1 LYS 70 -24.476 9.785 -18.970 537 1HE LYS 70 HE2 LYS 70 -25.865 7.262 -18.011 538 2HE LYS 70 HE1 LYS 70 -25.557 8.702 -17.046 539 1HZ LYS 70 HZ1 LYS 70 -26.842 9.635 -19.270 540 2HZ LYS 70 HZ3 LYS 70 -27.655 8.189 -18.895 541 3HZ LYS 70 HZ2 LYS 70 -27.522 9.422 -17.720 542 H LYS 71 HN LYS 71 -24.371 9.764 -25.037 543 HA LYS 71 HA LYS 71 -22.977 10.694 -26.587 544 1HB LYS 71 HB2 LYS 71 -21.585 11.367 -24.536 545 2HB LYS 71 HB1 LYS 71 -20.553 9.995 -24.914 546 1HG LYS 71 HG2 LYS 71 -20.299 10.956 -27.243 547 2HG LYS 71 HG1 LYS 71 -21.146 12.382 -26.662 548 1HD LYS 71 HD2 LYS 71 -18.499 11.310 -25.660 549 2HD LYS 71 HD1 LYS 71 -18.759 12.792 -26.572 550 1HE LYS 71 HE2 LYS 71 -19.724 12.232 -23.752 551 2HE LYS 71 HE1 LYS 71 -18.420 13.316 -24.218 552 1HZ LYS 71 HZ3 LYS 71 -20.673 14.078 -25.664 553 2HZ LYS 71 HZ2 LYS 71 -21.170 13.861 -24.048 554 3HZ LYS 71 HZ1 LYS 71 -19.888 14.927 -24.412 555 H LYS 72 HN LYS 72 -20.266 8.719 -26.011 556 HA LYS 72 HA LYS 72 -21.166 6.373 -27.411 557 1HB LYS 72 HB2 LYS 72 -20.561 8.382 -29.119 558 2HB LYS 72 HB1 LYS 72 -18.943 7.733 -28.878 559 1HG LYS 72 HG2 LYS 72 -19.796 6.565 -30.741 560 2HG LYS 72 HG1 LYS 72 -19.946 5.442 -29.396 561 1HD LYS 72 HD2 LYS 72 -22.193 5.382 -29.564 562 2HD LYS 72 HD1 LYS 72 -22.313 7.133 -29.716 563 1HE LYS 72 HE2 LYS 72 -21.710 6.955 -32.097 564 2HE LYS 72 HE1 LYS 72 -21.596 5.206 -31.942 565 1HZ LYS 72 HZ1 LYS 72 -24.086 5.941 -30.957 566 2HZ LYS 72 HZ3 LYS 72 -23.876 6.808 -32.401 567 3HZ LYS 72 HZ2 LYS 72 -23.741 5.110 -32.407 568 H LYS 73 HN LYS 73 -20.323 5.095 -25.835 569 HA LYS 73 HA LYS 73 -17.413 5.238 -25.318 570 1HB LYS 73 HB2 LYS 73 -19.441 4.373 -23.249 571 2HB LYS 73 HB1 LYS 73 -17.754 4.819 -23.012 572 1HG LYS 73 HG2 LYS 73 -18.250 7.145 -23.481 573 2HG LYS 73 HG1 LYS 73 -19.911 6.743 -23.909 574 1HD LYS 73 HD2 LYS 73 -20.024 7.603 -21.716 575 2HD LYS 73 HD1 LYS 73 -20.196 5.860 -21.561 576 1HE LYS 73 HE2 LYS 73 -18.321 5.668 -20.335 577 2HE LYS 73 HE1 LYS 73 -17.405 6.710 -21.420 578 1HZ LYS 73 HZ1 LYS 73 -18.393 8.644 -20.338 579 2HZ LYS 73 HZ3 LYS 73 -19.260 7.628 -19.285 580 3HZ LYS 73 HZ2 LYS 73 -17.555 7.673 -19.213 581 H HIS 74 HN HIS 74 -17.525 2.981 -23.617 582 HA HIS 74 HA HIS 74 -18.405 0.731 -25.321 583 1HB HIS 74 HB2 HIS 74 -15.621 1.275 -24.275 584 2HB HIS 74 HB1 HIS 74 -16.166 -0.374 -24.551 585 HD1 HIS 74 HD1 HIS 74 -15.733 2.850 -26.488 586 HD2 HIS 74 HD2 HIS 74 -15.853 -1.232 -27.146 587 HE1 HIS 74 HE1 HIS 74 -15.166 2.571 -28.910 588 H VAL 75 HN VAL 75 -20.127 0.786 -23.712 589 HA VAL 75 HA VAL 75 -19.340 -0.299 -21.069 590 HB VAL 75 HB VAL 75 -21.750 1.343 -21.891 591 1HG1 VAL 75 HG12 VAL 75 -21.124 -0.036 -19.291 592 2HG1 VAL 75 HG11 VAL 75 -22.180 1.374 -19.372 593 3HG1 VAL 75 HG13 VAL 75 -22.610 -0.099 -20.245 594 1HG2 VAL 75 HG22 VAL 75 -19.417 2.423 -21.493 595 2HG2 VAL 75 HG21 VAL 75 -20.845 3.143 -20.748 596 3HG2 VAL 75 HG23 VAL 75 -19.767 2.120 -19.791 597 H PHE 76 HN PHE 76 -20.703 -1.933 -20.170 598 HA PHE 76 HA PHE 76 -22.614 -3.238 -21.951 599 1HB PHE 76 HB2 PHE 76 -21.670 -5.453 -21.648 600 2HB PHE 76 HB1 PHE 76 -20.516 -4.400 -22.441 601 HD1 PHE 76 HD2 PHE 76 -21.283 -6.265 -19.385 602 HD2 PHE 76 HD1 PHE 76 -18.444 -3.759 -21.359 603 HE1 PHE 76 HE2 PHE 76 -19.574 -6.897 -17.721 604 HE2 PHE 76 HE1 PHE 76 -16.729 -4.397 -19.707 605 HZ PHE 76 HZ PHE 76 -17.293 -5.964 -17.882 606 H LYS 77 HN LYS 77 -24.234 -4.242 -20.899 607 HA LYS 77 HA LYS 77 -24.483 -3.642 -18.035 608 1HB LYS 77 HB2 LYS 77 -26.690 -4.837 -19.665 609 2HB LYS 77 HB1 LYS 77 -26.774 -3.719 -18.312 610 1HG LYS 77 HG2 LYS 77 -25.600 -2.053 -19.930 611 2HG LYS 77 HG1 LYS 77 -26.161 -3.146 -21.192 612 1HD LYS 77 HD2 LYS 77 -27.922 -1.822 -19.112 613 2HD LYS 77 HD1 LYS 77 -27.739 -1.282 -20.776 614 1HE LYS 77 HE2 LYS 77 -29.663 -2.533 -20.962 615 2HE LYS 77 HE1 LYS 77 -28.456 -3.754 -21.349 616 1HZ LYS 77 HZ2 LYS 77 -28.708 -3.845 -18.610 617 2HZ LYS 77 HZ1 LYS 77 -30.302 -3.661 -19.180 618 3HZ LYS 77 HZ3 LYS 77 -29.351 -4.958 -19.736 619 H LEU 78 HN LEU 78 -23.752 -5.137 -16.739 620 HA LEU 78 HA LEU 78 -23.916 -7.988 -17.419 621 1HB LEU 78 HB2 LEU 78 -21.745 -7.061 -16.702 622 2HB LEU 78 HB1 LEU 78 -22.459 -6.561 -15.182 623 HG LEU 78 HG LEU 78 -22.709 -8.730 -14.446 624 1HD1 LEU 78 HD13 LEU 78 -22.450 -9.556 -17.308 625 2HD1 LEU 78 HD12 LEU 78 -22.115 -10.706 -16.013 626 3HD1 LEU 78 HD11 LEU 78 -23.704 -9.962 -16.135 627 1HD2 LEU 78 HD22 LEU 78 -20.129 -8.051 -15.602 628 2HD2 LEU 78 HD21 LEU 78 -20.530 -8.642 -13.991 629 3HD2 LEU 78 HD23 LEU 78 -20.343 -9.780 -15.324 630 H ARG 79 HN ARG 79 -25.742 -8.898 -16.839 631 HA ARG 79 HA ARG 79 -27.131 -8.116 -14.340 632 1HB ARG 79 HB2 ARG 79 -28.353 -7.935 -16.542 633 2HB ARG 79 HB1 ARG 79 -28.214 -9.676 -16.699 634 1HG ARG 79 HG2 ARG 79 -29.282 -9.347 -14.155 635 2HG ARG 79 HG1 ARG 79 -30.058 -8.075 -15.088 636 1HD ARG 79 HD2 ARG 79 -31.452 -9.544 -16.022 637 2HD ARG 79 HD1 ARG 79 -30.092 -10.466 -16.660 638 HE ARG 79 HE ARG 79 -30.036 -11.622 -14.437 639 1HH1 ARG 79 HH21 ARG 79 -32.420 -9.604 -13.664 640 2HH1 ARG 79 HH22 ARG 79 -33.731 -10.756 -13.555 641 1HH2 ARG 79 HH11 ARG 79 -31.923 -13.350 -15.121 642 2HH2 ARG 79 HH12 ARG 79 -33.429 -12.908 -14.350 643 H LEU 80 HN LEU 80 -26.963 -9.508 -12.667 644 HA LEU 80 HA LEU 80 -25.690 -12.075 -12.927 645 1HB LEU 80 HB2 LEU 80 -27.159 -10.688 -10.689 646 2HB LEU 80 HB1 LEU 80 -26.536 -12.321 -10.502 647 HG LEU 80 HG LEU 80 -24.797 -10.041 -11.413 648 1HD1 LEU 80 HD13 LEU 80 -25.361 -10.913 -8.580 649 2HD1 LEU 80 HD12 LEU 80 -24.034 -9.848 -9.058 650 3HD1 LEU 80 HD11 LEU 80 -25.702 -9.335 -9.298 651 1HD2 LEU 80 HD21 LEU 80 -24.344 -12.784 -11.235 652 2HD2 LEU 80 HD23 LEU 80 -23.127 -11.522 -11.395 653 3HD2 LEU 80 HD22 LEU 80 -23.572 -12.114 -9.797 654 H SER 81 HN SER 81 -26.881 -14.087 -11.946 655 HA SER 81 HA SER 81 -28.905 -14.948 -13.635 656 1HB SER 81 HB2 SER 81 -29.249 -16.479 -11.335 657 2HB SER 81 HB1 SER 81 -28.154 -16.818 -12.667 658 HG SER 81 HG SER 81 -26.499 -16.318 -11.461 659 H ASP 82 HN ASP 82 -29.167 -13.581 -10.398 660 HA ASP 82 HA ASP 82 -31.713 -12.403 -10.818 661 1HB ASP 82 HB2 ASP 82 -32.364 -14.860 -10.617 662 2HB ASP 82 HB1 ASP 82 -31.773 -14.807 -8.962 663 H GLY 83 HN GLY 83 -30.114 -10.756 -9.968 664 1HA GLY 83 HA2 GLY 83 -30.322 -10.545 -7.068 665 2HA GLY 83 HA1 GLY 83 -28.682 -10.705 -7.695 666 H ASN 84 HN ASN 84 -27.925 -9.050 -9.236 667 HA ASN 84 HA ASN 84 -29.327 -6.452 -9.085 668 1HB ASN 84 HB2 ASN 84 -26.431 -7.070 -8.421 669 2HB ASN 84 HB1 ASN 84 -27.005 -5.437 -8.748 670 1HD2 ASN 84 HD22 ASN 84 -26.985 -5.873 -5.093 671 2HD2 ASN 84 HD21 ASN 84 -25.822 -5.899 -6.376 672 H GLU 85 HN GLU 85 -28.459 -4.909 -10.638 673 HA GLU 85 HA GLU 85 -27.343 -6.124 -13.109 674 1HB GLU 85 HB2 GLU 85 -29.532 -4.115 -12.667 675 2HB GLU 85 HB1 GLU 85 -28.557 -4.013 -14.132 676 1HG GLU 85 HG2 GLU 85 -29.175 -6.237 -14.786 677 2HG GLU 85 HG1 GLU 85 -29.973 -6.529 -13.239 678 H TYR 86 HN TYR 86 -25.351 -5.333 -13.580 679 HA TYR 86 HA TYR 86 -24.577 -2.664 -12.506 680 1HB TYR 86 HB2 TYR 86 -22.814 -5.091 -12.896 681 2HB TYR 86 HB1 TYR 86 -22.300 -3.525 -12.283 682 HD1 TYR 86 HD1 TYR 86 -23.360 -2.691 -10.109 683 HD2 TYR 86 HD2 TYR 86 -23.572 -6.748 -11.436 684 HE1 TYR 86 HE1 TYR 86 -23.822 -3.424 -7.808 685 HE2 TYR 86 HE2 TYR 86 -24.036 -7.474 -9.130 686 HH TYR 86 HH TYR 86 -23.686 -6.681 -6.829 687 H LEU 87 HN LEU 87 -23.572 -1.262 -13.848 688 HA LEU 87 HA LEU 87 -23.269 -1.997 -16.694 689 1HB LEU 87 HB2 LEU 87 -23.194 0.712 -15.326 690 2HB LEU 87 HB1 LEU 87 -23.000 0.448 -17.054 691 HG LEU 87 HG LEU 87 -25.453 0.076 -15.368 692 1HD1 LEU 87 HD12 LEU 87 -24.872 2.291 -16.409 693 2HD1 LEU 87 HD11 LEU 87 -25.093 1.525 -17.981 694 3HD1 LEU 87 HD13 LEU 87 -26.450 1.637 -16.860 695 1HD2 LEU 87 HD21 LEU 87 -24.836 -1.131 -18.046 696 2HD2 LEU 87 HD23 LEU 87 -25.570 -1.891 -16.634 697 3HD2 LEU 87 HD22 LEU 87 -26.494 -0.732 -17.586 698 H PHE 88 HN PHE 88 -21.272 -2.386 -17.453 699 HA PHE 88 HA PHE 88 -18.948 -1.523 -15.839 700 1HB PHE 88 HB2 PHE 88 -19.506 -4.030 -17.364 701 2HB PHE 88 HB1 PHE 88 -17.848 -3.521 -17.073 702 HD1 PHE 88 HD1 PHE 88 -17.232 -2.959 -14.599 703 HD2 PHE 88 HD2 PHE 88 -20.598 -5.327 -15.758 704 HE1 PHE 88 HE1 PHE 88 -17.299 -3.961 -12.352 705 HE2 PHE 88 HE2 PHE 88 -20.676 -6.314 -13.506 706 HZ PHE 88 HZ PHE 88 -19.035 -5.635 -11.805 707 H GLN 89 HN GLN 89 -17.635 -0.113 -16.771 708 HA GLN 89 HA GLN 89 -17.818 0.358 -19.683 709 1HB GLN 89 HB2 GLN 89 -18.114 2.238 -17.924 710 2HB GLN 89 HB1 GLN 89 -16.371 2.125 -17.728 711 1HG GLN 89 HG2 GLN 89 -16.553 2.264 -20.441 712 2HG GLN 89 HG1 GLN 89 -17.959 3.219 -19.978 713 1HE2 GLN 89 HE22 GLN 89 -14.745 5.263 -20.144 714 2HE2 GLN 89 HE21 GLN 89 -15.416 4.065 -21.207 715 H ALA 90 HN ALA 90 -16.278 -0.384 -20.939 716 HA ALA 90 HA ALA 90 -13.698 -1.276 -19.812 717 1HB ALA 90 HB2 ALA 90 -15.105 -1.862 -22.429 718 2HB ALA 90 HB1 ALA 90 -13.478 -2.424 -22.042 719 3HB ALA 90 HB3 ALA 90 -14.854 -2.969 -21.080 720 H LYS 91 HN LYS 91 -11.751 -0.852 -21.157 721 HA LYS 91 HA LYS 91 -11.721 1.955 -22.015 722 1HB LYS 91 HB2 LYS 91 -9.481 -0.033 -21.609 723 2HB LYS 91 HB1 LYS 91 -9.271 1.666 -22.026 724 1HG LYS 91 HG2 LYS 91 -9.405 2.240 -19.877 725 2HG LYS 91 HG1 LYS 91 -10.997 1.500 -19.748 726 1HD LYS 91 HD2 LYS 91 -9.485 0.523 -18.106 727 2HD LYS 91 HD1 LYS 91 -9.928 -0.686 -19.307 728 1HE LYS 91 HE2 LYS 91 -7.542 0.770 -20.106 729 2HE LYS 91 HE1 LYS 91 -7.337 0.054 -18.513 730 1HZ LYS 91 HZ2 LYS 91 -8.455 -1.964 -19.891 731 2HZ LYS 91 HZ1 LYS 91 -7.515 -1.217 -21.096 732 3HZ LYS 91 HZ3 LYS 91 -6.776 -1.758 -19.660 733 H ASP 92 HN ASP 92 -11.032 -1.262 -23.358 734 HA ASP 92 HA ASP 92 -11.013 -0.062 -26.077 735 1HB ASP 92 HB2 ASP 92 -8.751 -0.864 -25.250 736 2HB ASP 92 HB1 ASP 92 -9.411 -2.496 -25.265 737 H ASP 93 HN ASP 93 -11.752 -1.393 -27.779 738 HA ASP 93 HA ASP 93 -14.160 -2.796 -27.330 739 1HB ASP 93 HB2 ASP 93 -13.602 -1.671 -29.451 740 2HB ASP 93 HB1 ASP 93 -12.334 -2.854 -29.756 741 H GLU 94 HN GLU 94 -10.818 -3.916 -27.776 742 HA GLU 94 HA GLU 94 -11.381 -6.712 -27.974 743 1HB GLU 94 HB2 GLU 94 -8.950 -5.106 -27.213 744 2HB GLU 94 HB1 GLU 94 -8.954 -6.860 -27.049 745 1HG GLU 94 HG2 GLU 94 -9.717 -6.922 -29.499 746 2HG GLU 94 HG1 GLU 94 -9.257 -5.220 -29.564 747 H GLU 95 HN GLU 95 -10.682 -4.542 -25.296 748 HA GLU 95 HA GLU 95 -10.637 -6.419 -23.183 749 1HB GLU 95 HB2 GLU 95 -10.032 -3.822 -23.342 750 2HB GLU 95 HB1 GLU 95 -11.671 -3.661 -22.716 751 1HG GLU 95 HG2 GLU 95 -11.023 -5.270 -20.886 752 2HG GLU 95 HG1 GLU 95 -9.365 -5.148 -21.466 753 H MET 96 HN MET 96 -13.238 -4.345 -24.454 754 HA MET 96 HA MET 96 -15.311 -5.111 -22.721 755 1HB MET 96 HB2 MET 96 -15.396 -3.175 -24.259 756 2HB MET 96 HB1 MET 96 -15.520 -4.276 -25.624 757 1HG MET 96 HG2 MET 96 -17.667 -4.991 -25.013 758 2HG MET 96 HG1 MET 96 -17.496 -4.406 -23.363 759 1HE MET 96 HE3 MET 96 -17.249 -3.026 -27.073 760 2HE MET 96 HE2 MET 96 -18.857 -3.712 -26.852 761 3HE MET 96 HE1 MET 96 -18.674 -1.976 -27.069 762 H ASN 97 HN ASN 97 -14.363 -6.422 -25.886 763 HA ASN 97 HA ASN 97 -16.345 -8.438 -26.096 764 1HB ASN 97 HB2 ASN 97 -14.806 -7.540 -27.930 765 2HB ASN 97 HB1 ASN 97 -13.553 -8.583 -27.265 766 1HD2 ASN 97 HD22 ASN 97 -14.727 -10.930 -29.617 767 2HD2 ASN 97 HD21 ASN 97 -13.479 -9.804 -29.185 768 H THR 98 HN THR 98 -13.029 -8.489 -24.799 769 HA THR 98 HA THR 98 -12.901 -11.241 -24.146 770 HB THR 98 HB THR 98 -11.489 -8.916 -22.822 771 HG1 THR 98 HG1 THR 98 -11.065 -8.950 -25.030 772 1HG2 THR 98 HG23 THR 98 -11.105 -11.891 -22.707 773 2HG2 THR 98 HG22 THR 98 -9.716 -10.817 -22.545 774 3HG2 THR 98 HG21 THR 98 -11.054 -10.706 -21.401 775 H TRP 99 HN TRP 99 -13.910 -8.408 -22.207 776 HA TRP 99 HA TRP 99 -14.350 -9.786 -19.772 777 1HB TRP 99 HB2 TRP 99 -15.319 -7.177 -20.909 778 2HB TRP 99 HB1 TRP 99 -16.022 -7.781 -19.415 779 HD1 TRP 99 HD1 TRP 99 -13.401 -5.494 -20.457 780 HE1 TRP 99 HE1 TRP 99 -11.647 -5.190 -18.626 781 HE3 TRP 99 HE3 TRP 99 -14.527 -9.500 -17.448 782 HZ2 TRP 99 HZ2 TRP 99 -10.802 -6.438 -16.266 783 HZ3 TRP 99 HZ3 TRP 99 -13.183 -9.888 -15.423 784 HH2 TRP 99 HH2 TRP 99 -11.338 -8.374 -14.834 785 H ILE 100 HN ILE 100 -16.616 -8.926 -22.401 786 HA ILE 100 HA ILE 100 -18.919 -10.096 -21.249 787 HB ILE 100 HB ILE 100 -18.174 -9.461 -24.105 788 1HG1 ILE 100 HG12 ILE 100 -20.103 -8.152 -22.172 789 2HG1 ILE 100 HG11 ILE 100 -18.483 -7.570 -22.535 790 1HG2 ILE 100 HG23 ILE 100 -20.667 -10.740 -23.033 791 2HG2 ILE 100 HG22 ILE 100 -20.767 -9.635 -24.400 792 3HG2 ILE 100 HG21 ILE 100 -19.776 -11.086 -24.519 793 1HD1 ILE 100 HD12 ILE 100 -19.360 -7.631 -25.028 794 2HD1 ILE 100 HD11 ILE 100 -20.938 -7.528 -24.237 795 3HD1 ILE 100 HD13 ILE 100 -19.735 -6.268 -23.971 796 H GLN 101 HN GLN 101 -16.588 -11.433 -23.614 797 HA GLN 101 HA GLN 101 -17.803 -13.969 -23.909 798 1HB GLN 101 HB2 GLN 101 -14.982 -12.977 -24.310 799 2HB GLN 101 HB1 GLN 101 -15.413 -14.662 -24.582 800 1HG GLN 101 HG2 GLN 101 -17.170 -13.900 -26.191 801 2HG GLN 101 HG1 GLN 101 -16.588 -12.249 -25.994 802 1HE2 GLN 101 HE22 GLN 101 -14.962 -13.745 -28.987 803 2HE2 GLN 101 HE21 GLN 101 -16.589 -13.414 -28.473 804 H ALA 102 HN ALA 102 -15.305 -12.823 -21.655 805 HA ALA 102 HA ALA 102 -14.799 -15.321 -20.385 806 1HB ALA 102 HB3 ALA 102 -14.424 -12.491 -19.366 807 2HB ALA 102 HB2 ALA 102 -13.766 -13.939 -18.603 808 3HB ALA 102 HB1 ALA 102 -13.223 -13.469 -20.213 809 H ILE 103 HN ILE 103 -17.068 -12.699 -19.755 810 HA ILE 103 HA ILE 103 -18.083 -13.697 -17.282 811 HB ILE 103 HB ILE 103 -19.013 -11.671 -19.296 812 1HG1 ILE 103 HG12 ILE 103 -18.553 -11.181 -16.380 813 2HG1 ILE 103 HG11 ILE 103 -17.164 -11.410 -17.436 814 1HG2 ILE 103 HG21 ILE 103 -20.547 -12.636 -16.888 815 2HG2 ILE 103 HG23 ILE 103 -20.798 -11.055 -17.624 816 3HG2 ILE 103 HG22 ILE 103 -21.107 -12.515 -18.561 817 1HD1 ILE 103 HD11 ILE 103 -18.705 -9.603 -18.851 818 2HD1 ILE 103 HD13 ILE 103 -18.955 -9.113 -17.173 819 3HD1 ILE 103 HD12 ILE 103 -17.322 -9.202 -17.832 820 H SER 104 HN SER 104 -19.005 -14.154 -20.680 821 HA SER 104 HA SER 104 -21.445 -15.545 -20.216 822 1HB SER 104 HB2 SER 104 -19.544 -15.690 -22.573 823 2HB SER 104 HB1 SER 104 -21.208 -16.264 -22.553 824 HG SER 104 HG SER 104 -21.359 -13.797 -21.703 825 H SER 105 HN SER 105 -18.077 -16.561 -20.449 826 HA SER 105 HA SER 105 -18.674 -19.394 -20.366 827 1HB SER 105 HB2 SER 105 -15.999 -18.073 -19.890 828 2HB SER 105 HB1 SER 105 -16.312 -19.723 -20.424 829 HG SER 105 HG SER 105 -16.558 -17.298 -21.869 830 H ALA 106 HN ALA 106 -17.663 -16.891 -18.104 831 HA ALA 106 HA ALA 106 -17.662 -16.732 -15.842 832 1HB ALA 106 HB1 ALA 106 -19.928 -17.902 -16.218 833 2HB ALA 106 HB3 ALA 106 -19.119 -19.360 -15.643 834 3HB ALA 106 HB2 ALA 106 -19.234 -17.942 -14.601 No H/Q in entry = 834 Start of MODEL 16 1 1H MET 1 HT2 MET 1 -9.146 -14.316 -15.576 2 2H MET 1 HT1 MET 1 -10.514 -14.546 -16.564 3 3H MET 1 HT3 MET 1 -8.956 -14.776 -17.211 4 HA MET 1 HA MET 1 -8.531 -12.593 -17.440 5 1HB MET 1 HB2 MET 1 -11.405 -13.165 -17.799 6 2HB MET 1 HB1 MET 1 -11.026 -11.452 -17.643 7 1HG MET 1 HG2 MET 1 -9.517 -13.260 -19.522 8 2HG MET 1 HG1 MET 1 -11.007 -12.462 -20.000 9 1HE MET 1 HE2 MET 1 -11.451 -10.080 -19.893 10 2HE MET 1 HE1 MET 1 -10.511 -9.235 -18.665 11 3HE MET 1 HE3 MET 1 -10.275 -8.862 -20.378 12 H GLU 2 HN GLU 2 -7.935 -10.868 -16.305 13 HA GLU 2 HA GLU 2 -9.522 -9.843 -14.086 14 1HB GLU 2 HB2 GLU 2 -8.399 -11.106 -12.612 15 2HB GLU 2 HB1 GLU 2 -7.120 -11.494 -13.729 16 1HG GLU 2 HG2 GLU 2 -7.122 -8.740 -12.651 17 2HG GLU 2 HG1 GLU 2 -6.779 -10.032 -11.514 18 H GLY 3 HN GLY 3 -9.110 -7.696 -13.643 19 1HA GLY 3 HA2 GLY 3 -6.956 -6.099 -14.333 20 2HA GLY 3 HA1 GLY 3 -7.967 -6.156 -15.772 21 H PHE 4 HN PHE 4 -7.851 -3.775 -15.084 22 HA PHE 4 HA PHE 4 -9.662 -2.924 -12.972 23 1HB PHE 4 HB2 PHE 4 -7.981 -1.531 -15.027 24 2HB PHE 4 HB1 PHE 4 -9.248 -0.645 -14.201 25 HD1 PHE 4 HD1 PHE 4 -9.244 -0.771 -11.599 26 HD2 PHE 4 HD2 PHE 4 -5.856 -1.646 -14.058 27 HE1 PHE 4 HE1 PHE 4 -7.744 -0.325 -9.699 28 HE2 PHE 4 HE2 PHE 4 -4.361 -1.202 -12.151 29 HZ PHE 4 HZ PHE 4 -5.305 -0.536 -9.976 30 H LEU 5 HN LEU 5 -11.634 -1.930 -13.258 31 HA LEU 5 HA LEU 5 -12.841 -1.680 -15.898 32 1HB LEU 5 HB2 LEU 5 -13.473 -3.879 -14.005 33 2HB LEU 5 HB1 LEU 5 -14.866 -3.025 -14.655 34 HG LEU 5 HG LEU 5 -12.691 -4.351 -16.269 35 1HD1 LEU 5 HD12 LEU 5 -15.374 -5.196 -15.333 36 2HD1 LEU 5 HD11 LEU 5 -14.912 -5.645 -16.974 37 3HD1 LEU 5 HD13 LEU 5 -13.916 -6.151 -15.612 38 1HD2 LEU 5 HD21 LEU 5 -14.926 -2.541 -17.018 39 2HD2 LEU 5 HD23 LEU 5 -13.340 -2.762 -17.770 40 3HD2 LEU 5 HD22 LEU 5 -14.628 -3.932 -18.054 41 H ASN 6 HN ASN 6 -14.571 -0.262 -15.894 42 HA ASN 6 HA ASN 6 -14.944 1.383 -13.487 43 1HB ASN 6 HB2 ASN 6 -14.951 1.930 -16.251 44 2HB ASN 6 HB1 ASN 6 -16.630 2.082 -15.758 45 1HD2 ASN 6 HD22 ASN 6 -14.018 4.986 -14.889 46 2HD2 ASN 6 HD21 ASN 6 -13.668 3.628 -15.912 47 H ARG 7 HN ARG 7 -16.599 0.968 -12.103 48 HA ARG 7 HA ARG 7 -18.811 -0.769 -13.065 49 1HB ARG 7 HB2 ARG 7 -17.193 -1.823 -11.472 50 2HB ARG 7 HB1 ARG 7 -17.679 -0.639 -10.267 51 1HG ARG 7 HG2 ARG 7 -19.913 -1.493 -10.196 52 2HG ARG 7 HG1 ARG 7 -19.646 -2.483 -11.629 53 1HD ARG 7 HD2 ARG 7 -19.536 -3.984 -9.794 54 2HD ARG 7 HD1 ARG 7 -17.862 -3.712 -10.275 55 HE ARG 7 HE ARG 7 -17.753 -2.066 -8.381 56 1HH1 ARG 7 HH21 ARG 7 -19.641 -1.517 -6.713 57 2HH1 ARG 7 HH22 ARG 7 -20.041 -2.885 -5.712 58 1HH2 ARG 7 HH11 ARG 7 -18.474 -5.213 -7.831 59 2HH2 ARG 7 HH12 ARG 7 -19.408 -5.007 -6.378 60 H LYS 8 HN LYS 8 -20.851 -0.297 -12.569 61 HA LYS 8 HA LYS 8 -21.548 1.842 -10.683 62 1HB LYS 8 HB2 LYS 8 -21.289 2.922 -12.935 63 2HB LYS 8 HB1 LYS 8 -22.523 1.840 -13.556 64 1HG LYS 8 HG2 LYS 8 -23.681 2.986 -11.278 65 2HG LYS 8 HG1 LYS 8 -22.807 4.307 -12.042 66 1HD LYS 8 HD2 LYS 8 -24.602 4.554 -13.370 67 2HD LYS 8 HD1 LYS 8 -24.068 3.090 -14.186 68 1HE LYS 8 HE2 LYS 8 -25.511 1.717 -12.847 69 2HE LYS 8 HE1 LYS 8 -25.878 3.052 -11.763 70 1HZ LYS 8 HZ1 LYS 8 -26.907 4.178 -13.736 71 2HZ LYS 8 HZ3 LYS 8 -26.763 2.698 -14.567 72 3HZ LYS 8 HZ2 LYS 8 -27.726 2.793 -13.170 73 H HIS 9 HN HIS 9 -22.976 0.813 -9.366 74 HA HIS 9 HA HIS 9 -24.379 -1.552 -10.180 75 1HB HIS 9 HB2 HIS 9 -25.513 -0.404 -7.780 76 2HB HIS 9 HB1 HIS 9 -24.662 -1.920 -7.991 77 HD1 HIS 9 HD1 HIS 9 -23.097 -1.960 -6.076 78 HD2 HIS 9 HD2 HIS 9 -23.085 1.727 -7.955 79 HE1 HIS 9 HE1 HIS 9 -21.282 -0.663 -4.946 80 H GLU 10 HN GLU 10 -26.224 -1.646 -11.256 81 HA GLU 10 HA GLU 10 -27.879 0.693 -11.715 82 1HB GLU 10 HB2 GLU 10 -27.991 -2.189 -12.619 83 2HB GLU 10 HB1 GLU 10 -29.183 -0.992 -13.071 84 1HG GLU 10 HG2 GLU 10 -26.506 -0.008 -13.561 85 2HG GLU 10 HG1 GLU 10 -26.761 -1.550 -14.371 86 H TRP 11 HN TRP 11 -27.907 -2.306 -9.961 87 HA TRP 11 HA TRP 11 -29.962 -1.440 -8.143 88 1HB TRP 11 HB2 TRP 11 -31.374 -2.314 -9.951 89 2HB TRP 11 HB1 TRP 11 -30.449 -3.807 -9.987 90 HD1 TRP 11 HD1 TRP 11 -32.714 -1.875 -7.439 91 HE1 TRP 11 HE1 TRP 11 -33.922 -3.626 -6.030 92 HE3 TRP 11 HE3 TRP 11 -30.619 -6.129 -9.331 93 HZ2 TRP 11 HZ2 TRP 11 -34.018 -6.418 -5.727 94 HZ3 TRP 11 HZ3 TRP 11 -31.319 -8.316 -8.446 95 HH2 TRP 11 HH2 TRP 11 -33.001 -8.468 -6.659 96 H GLU 12 HN GLU 12 -29.239 -2.120 -6.232 97 HA GLU 12 HA GLU 12 -28.030 -4.745 -5.870 98 1HB GLU 12 HB2 GLU 12 -26.186 -3.179 -6.619 99 2HB GLU 12 HB1 GLU 12 -26.451 -2.266 -5.139 100 1HG GLU 12 HG2 GLU 12 -26.092 -4.560 -3.950 101 2HG GLU 12 HG1 GLU 12 -25.384 -5.062 -5.484 102 H ALA 13 HN ALA 13 -29.952 -4.933 -4.656 103 HA ALA 13 HA ALA 13 -29.905 -5.045 -2.002 104 1HB ALA 13 HB3 ALA 13 -30.612 -2.193 -2.718 105 2HB ALA 13 HB2 ALA 13 -31.179 -2.945 -1.224 106 3HB ALA 13 HB1 ALA 13 -29.454 -2.772 -1.518 107 H HIS 14 HN HIS 14 -32.495 -2.970 -2.776 108 HA HIS 14 HA HIS 14 -34.229 -4.779 -4.105 109 1HB HIS 14 HB2 HIS 14 -33.985 -5.380 -1.393 110 2HB HIS 14 HB1 HIS 14 -35.445 -4.405 -1.457 111 HD1 HIS 14 HD1 HIS 14 -37.514 -5.495 -2.434 112 HD2 HIS 14 HD2 HIS 14 -34.119 -7.816 -2.947 113 HE1 HIS 14 HE1 HIS 14 -38.347 -7.699 -3.287 114 H ASN 15 HN ASN 15 -36.568 -3.967 -3.901 115 HA ASN 15 HA ASN 15 -38.158 -2.317 -3.925 116 1HB ASN 15 HB2 ASN 15 -36.759 -1.168 -2.051 117 2HB ASN 15 HB1 ASN 15 -36.139 -0.142 -3.342 118 1HD2 ASN 15 HD22 ASN 15 -39.982 0.279 -2.024 119 2HD2 ASN 15 HD21 ASN 15 -38.988 -1.053 -1.515 120 H LYS 16 HN LYS 16 -35.366 -0.385 -5.017 121 HA LYS 16 HA LYS 16 -35.620 -0.969 -7.767 122 1HB LYS 16 HB2 LYS 16 -36.581 1.263 -8.486 123 2HB LYS 16 HB1 LYS 16 -37.726 0.123 -7.803 124 1HG LYS 16 HG2 LYS 16 -38.319 1.591 -6.230 125 2HG LYS 16 HG1 LYS 16 -36.654 1.726 -5.680 126 1HD LYS 16 HD2 LYS 16 -36.353 3.308 -7.727 127 2HD LYS 16 HD1 LYS 16 -38.110 3.405 -7.694 128 1HE LYS 16 HE2 LYS 16 -36.118 4.379 -5.678 129 2HE LYS 16 HE1 LYS 16 -37.506 5.215 -6.361 130 1HZ LYS 16 HZ1 LYS 16 -38.882 3.510 -5.109 131 2HZ LYS 16 HZ3 LYS 16 -37.457 3.161 -4.239 132 3HZ LYS 16 HZ2 LYS 16 -38.125 4.732 -4.198 133 H LYS 17 HN LYS 17 -33.859 -0.328 -8.771 134 HA LYS 17 HA LYS 17 -31.827 0.576 -9.207 135 1HB LYS 17 HB2 LYS 17 -32.805 3.088 -7.864 136 2HB LYS 17 HB1 LYS 17 -31.627 2.937 -9.165 137 1HG LYS 17 HG2 LYS 17 -33.735 1.762 -10.356 138 2HG LYS 17 HG1 LYS 17 -34.595 2.855 -9.278 139 1HD LYS 17 HD2 LYS 17 -32.520 3.602 -11.358 140 2HD LYS 17 HD1 LYS 17 -34.243 3.957 -11.408 141 1HE LYS 17 HE2 LYS 17 -32.257 5.060 -9.408 142 2HE LYS 17 HE1 LYS 17 -32.978 5.940 -10.750 143 1HZ LYS 17 HZ3 LYS 17 -35.163 5.088 -9.509 144 2HZ LYS 17 HZ2 LYS 17 -34.112 5.220 -8.168 145 3HZ LYS 17 HZ1 LYS 17 -34.408 6.573 -9.166 146 H ALA 18 HN ALA 18 -30.205 2.370 -8.045 147 HA ALA 18 HA ALA 18 -29.680 1.769 -5.261 148 1HB ALA 18 HB3 ALA 18 -27.964 0.643 -7.488 149 2HB ALA 18 HB2 ALA 18 -27.344 0.893 -5.851 150 3HB ALA 18 HB1 ALA 18 -28.689 -0.214 -6.128 151 H SER 19 HN SER 19 -27.906 3.080 -4.440 152 HA SER 19 HA SER 19 -26.760 5.116 -6.203 153 1HB SER 19 HB2 SER 19 -27.561 6.870 -4.395 154 2HB SER 19 HB1 SER 19 -28.623 6.396 -5.716 155 HG SER 19 HG SER 19 -28.722 4.873 -3.353 156 H SER 20 HN SER 20 -25.410 3.080 -5.048 157 HA SER 20 HA SER 20 -24.240 3.884 -2.513 158 1HB SER 20 HB2 SER 20 -22.687 1.815 -3.472 159 2HB SER 20 HB1 SER 20 -24.098 1.642 -2.436 160 HG SER 20 HG SER 20 -25.023 0.614 -4.022 161 H ARG 21 HN ARG 21 -22.827 3.129 -5.710 162 HA ARG 21 HA ARG 21 -21.112 5.504 -5.559 163 1HB ARG 21 HB2 ARG 21 -20.008 3.369 -4.494 164 2HB ARG 21 HB1 ARG 21 -19.781 2.875 -6.163 165 1HG ARG 21 HG2 ARG 21 -17.797 3.996 -5.720 166 2HG ARG 21 HG1 ARG 21 -18.765 5.272 -6.456 167 1HD ARG 21 HD2 ARG 21 -17.726 6.197 -4.503 168 2HD ARG 21 HD1 ARG 21 -19.437 5.987 -4.133 169 HE ARG 21 HE ARG 21 -17.546 3.853 -3.333 170 1HH1 ARG 21 HH11 ARG 21 -19.936 3.335 -1.996 171 2HH1 ARG 21 HH12 ARG 21 -19.935 4.296 -0.535 172 1HH2 ARG 21 HH21 ARG 21 -17.356 6.446 -1.649 173 2HH2 ARG 21 HH22 ARG 21 -18.402 6.034 -0.316 174 H SER 22 HN SER 22 -22.011 6.372 -7.347 175 HA SER 22 HA SER 22 -22.587 4.880 -9.739 176 1HB SER 22 HB2 SER 22 -22.456 7.883 -9.517 177 2HB SER 22 HB1 SER 22 -23.435 6.905 -10.608 178 HG SER 22 HG SER 22 -23.729 7.224 -7.790 179 H TRP 23 HN TRP 23 -21.015 4.134 -10.962 180 HA TRP 23 HA TRP 23 -19.206 3.937 -12.299 181 1HB TRP 23 HB2 TRP 23 -19.743 6.886 -12.487 182 2HB TRP 23 HB1 TRP 23 -18.308 6.218 -13.246 183 HD1 TRP 23 HD1 TRP 23 -21.538 7.230 -14.349 184 HE1 TRP 23 HE1 TRP 23 -22.383 5.841 -16.326 185 HE3 TRP 23 HE3 TRP 23 -18.366 3.216 -14.040 186 HZ2 TRP 23 HZ2 TRP 23 -21.828 3.377 -17.582 187 HZ3 TRP 23 HZ3 TRP 23 -18.579 1.385 -15.642 188 HH2 TRP 23 HH2 TRP 23 -20.297 1.451 -17.408 189 H HIS 24 HN HIS 24 -17.918 3.068 -10.674 190 HA HIS 24 HA HIS 24 -15.736 4.843 -9.720 191 1HB HIS 24 HB2 HIS 24 -15.504 3.287 -7.768 192 2HB HIS 24 HB1 HIS 24 -16.989 4.223 -7.761 193 HD1 HIS 24 HD1 HIS 24 -19.180 2.812 -8.562 194 HD2 HIS 24 HD2 HIS 24 -15.860 0.584 -7.509 195 HE1 HIS 24 HE1 HIS 24 -20.051 0.502 -8.176 196 H ASN 25 HN ASN 25 -13.678 4.113 -10.076 197 HA ASN 25 HA ASN 25 -13.337 1.909 -11.936 198 1HB ASN 25 HB2 ASN 25 -12.023 4.109 -11.981 199 2HB ASN 25 HB1 ASN 25 -11.134 3.494 -10.590 200 1HD2 ASN 25 HD22 ASN 25 -8.899 1.919 -12.754 201 2HD2 ASN 25 HD21 ASN 25 -9.172 2.940 -11.378 202 H VAL 26 HN VAL 26 -13.256 -0.109 -11.233 203 HA VAL 26 HA VAL 26 -11.928 -0.718 -8.659 204 HB VAL 26 HB VAL 26 -14.537 -0.711 -8.758 205 1HG1 VAL 26 HG11 VAL 26 -14.578 -2.127 -10.851 206 2HG1 VAL 26 HG13 VAL 26 -14.099 -3.493 -9.839 207 3HG1 VAL 26 HG12 VAL 26 -15.625 -2.659 -9.539 208 1HG2 VAL 26 HG21 VAL 26 -12.902 -1.697 -6.991 209 2HG2 VAL 26 HG23 VAL 26 -14.606 -2.140 -6.957 210 3HG2 VAL 26 HG22 VAL 26 -13.421 -3.254 -7.644 211 H TYR 27 HN TYR 27 -11.323 -3.018 -8.484 212 HA TYR 27 HA TYR 27 -10.217 -4.015 -11.032 213 1HB TYR 27 HB2 TYR 27 -8.883 -3.532 -8.788 214 2HB TYR 27 HB1 TYR 27 -9.462 -5.130 -8.355 215 HD1 TYR 27 HD1 TYR 27 -7.347 -3.220 -10.665 216 HD2 TYR 27 HD2 TYR 27 -8.628 -7.100 -9.451 217 HE1 TYR 27 HE1 TYR 27 -5.505 -4.224 -11.941 218 HE2 TYR 27 HE2 TYR 27 -6.790 -8.113 -10.733 219 HH TYR 27 HH TYR 27 -5.026 -7.747 -12.066 220 H CYS 28 HN CYS 28 -11.043 -5.821 -11.920 221 HA CYS 28 HA CYS 28 -12.876 -7.509 -10.296 222 1HB CYS 28 HB2 CYS 28 -12.983 -6.914 -13.265 223 2HB CYS 28 HB1 CYS 28 -14.093 -7.957 -12.379 224 HG CYS 28 HG CYS 28 -13.949 -5.004 -11.480 225 H VAL 29 HN VAL 29 -12.436 -9.633 -10.185 226 HA VAL 29 HA VAL 29 -10.507 -10.835 -12.082 227 HB VAL 29 HB VAL 29 -10.512 -11.327 -9.097 228 1HG1 VAL 29 HG12 VAL 29 -9.349 -12.742 -11.279 229 2HG1 VAL 29 HG11 VAL 29 -8.047 -11.979 -10.370 230 3HG1 VAL 29 HG13 VAL 29 -9.177 -13.053 -9.549 231 1HG2 VAL 29 HG21 VAL 29 -8.910 -9.413 -10.756 232 2HG2 VAL 29 HG23 VAL 29 -9.698 -9.157 -9.197 233 3HG2 VAL 29 HG22 VAL 29 -8.227 -10.124 -9.293 234 H ILE 30 HN ILE 30 -11.457 -12.506 -13.057 235 HA ILE 30 HA ILE 30 -13.792 -13.846 -11.897 236 HB ILE 30 HB ILE 30 -12.352 -14.368 -14.515 237 1HG1 ILE 30 HG12 ILE 30 -14.737 -12.585 -13.969 238 2HG1 ILE 30 HG11 ILE 30 -13.125 -12.043 -14.424 239 1HG2 ILE 30 HG22 ILE 30 -13.863 -16.179 -13.681 240 2HG2 ILE 30 HG21 ILE 30 -15.197 -15.020 -13.731 241 3HG2 ILE 30 HG23 ILE 30 -14.365 -15.473 -15.218 242 1HD1 ILE 30 HD13 ILE 30 -13.424 -13.488 -16.528 243 2HD1 ILE 30 HD12 ILE 30 -15.134 -13.540 -16.092 244 3HD1 ILE 30 HD11 ILE 30 -14.356 -11.994 -16.429 245 H ASN 31 HN ASN 31 -13.612 -15.693 -10.742 246 HA ASN 31 HA ASN 31 -11.241 -17.426 -11.097 247 1HB ASN 31 HB2 ASN 31 -10.986 -15.740 -9.167 248 2HB ASN 31 HB1 ASN 31 -12.242 -16.660 -8.346 249 1HD2 ASN 31 HD22 ASN 31 -10.118 -19.278 -7.421 250 2HD2 ASN 31 HD21 ASN 31 -11.719 -18.592 -7.408 251 H ASN 32 HN ASN 32 -11.947 -19.356 -11.553 252 HA ASN 32 HA ASN 32 -13.064 -21.324 -11.556 253 1HB ASN 32 HB2 ASN 32 -12.616 -21.251 -9.116 254 2HB ASN 32 HB1 ASN 32 -14.171 -20.463 -8.871 255 1HD2 ASN 32 HD22 ASN 32 -15.865 -23.493 -8.714 256 2HD2 ASN 32 HD21 ASN 32 -15.713 -21.831 -8.247 257 H GLN 33 HN GLN 33 -15.604 -19.597 -9.768 258 HA GLN 33 HA GLN 33 -17.314 -19.614 -12.189 259 1HB GLN 33 HB2 GLN 33 -17.551 -21.608 -10.441 260 2HB GLN 33 HB1 GLN 33 -18.514 -20.422 -9.572 261 1HG GLN 33 HG2 GLN 33 -20.222 -21.160 -10.842 262 2HG GLN 33 HG1 GLN 33 -19.515 -20.174 -12.118 263 1HE2 GLN 33 HE22 GLN 33 -18.946 -22.938 -14.151 264 2HE2 GLN 33 HE21 GLN 33 -19.248 -21.231 -13.975 265 H GLU 34 HN GLU 34 -16.130 -17.913 -9.520 266 HA GLU 34 HA GLU 34 -18.348 -15.953 -9.644 267 1HB GLU 34 HB2 GLU 34 -17.531 -15.349 -7.283 268 2HB GLU 34 HB1 GLU 34 -18.446 -16.835 -7.481 269 1HG GLU 34 HG2 GLU 34 -15.462 -17.000 -7.663 270 2HG GLU 34 HG1 GLU 34 -16.189 -16.768 -6.075 271 H MET 35 HN MET 35 -17.656 -13.734 -9.035 272 HA MET 35 HA MET 35 -14.956 -13.113 -10.078 273 1HB MET 35 HB2 MET 35 -15.806 -11.148 -11.112 274 2HB MET 35 HB1 MET 35 -16.875 -12.458 -11.589 275 1HG MET 35 HG2 MET 35 -18.462 -11.767 -9.825 276 2HG MET 35 HG1 MET 35 -17.415 -10.412 -9.433 277 1HE MET 35 HE3 MET 35 -16.589 -8.772 -11.099 278 2HE MET 35 HE2 MET 35 -16.684 -9.318 -12.774 279 3HE MET 35 HE1 MET 35 -17.685 -7.974 -12.231 280 H GLY 36 HN GLY 36 -13.703 -11.912 -8.798 281 1HA GLY 36 HA2 GLY 36 -14.804 -10.997 -6.212 282 2HA GLY 36 HA1 GLY 36 -13.128 -11.426 -6.522 283 H PHE 37 HN PHE 37 -14.914 -8.899 -5.788 284 HA PHE 37 HA PHE 37 -13.732 -6.943 -7.643 285 1HB PHE 37 HB2 PHE 37 -15.778 -6.654 -5.438 286 2HB PHE 37 HB1 PHE 37 -15.165 -5.323 -6.413 287 HD1 PHE 37 HD1 PHE 37 -15.411 -5.553 -8.985 288 HD2 PHE 37 HD2 PHE 37 -17.668 -7.841 -6.164 289 HE1 PHE 37 HE1 PHE 37 -17.113 -6.011 -10.707 290 HE2 PHE 37 HE2 PHE 37 -19.363 -8.292 -7.884 291 HZ PHE 37 HZ PHE 37 -19.093 -7.376 -10.158 292 H TYR 38 HN TYR 38 -11.953 -5.885 -7.132 293 HA TYR 38 HA TYR 38 -11.159 -5.547 -4.295 294 1HB TYR 38 HB2 TYR 38 -9.311 -6.352 -6.552 295 2HB TYR 38 HB1 TYR 38 -8.841 -6.049 -4.886 296 HD1 TYR 38 HD1 TYR 38 -9.375 -7.640 -3.131 297 HD2 TYR 38 HD2 TYR 38 -10.427 -8.401 -7.188 298 HE1 TYR 38 HE1 TYR 38 -9.753 -10.008 -2.580 299 HE2 TYR 38 HE2 TYR 38 -10.803 -10.777 -6.644 300 HH TYR 38 HH TYR 38 -10.808 -11.941 -3.350 301 H LYS 39 HN LYS 39 -9.325 -3.909 -4.135 302 HA LYS 39 HA LYS 39 -10.157 -1.459 -5.386 303 1HB LYS 39 HB2 LYS 39 -9.201 -1.662 -3.070 304 2HB LYS 39 HB1 LYS 39 -7.628 -1.963 -3.801 305 1HG LYS 39 HG2 LYS 39 -7.316 0.255 -3.869 306 2HG LYS 39 HG1 LYS 39 -8.600 0.358 -5.064 307 1HD LYS 39 HD2 LYS 39 -10.192 1.002 -3.503 308 2HD LYS 39 HD1 LYS 39 -9.327 0.264 -2.156 309 1HE LYS 39 HE2 LYS 39 -8.173 2.617 -3.638 310 2HE LYS 39 HE1 LYS 39 -9.347 2.851 -2.349 311 1HZ LYS 39 HZ3 LYS 39 -7.121 1.079 -1.754 312 2HZ LYS 39 HZ2 LYS 39 -6.737 2.739 -1.936 313 3HZ LYS 39 HZ1 LYS 39 -7.885 2.241 -0.774 314 H ASP 40 HN ASP 40 -7.163 -3.401 -5.617 315 HA ASP 40 HA ASP 40 -6.805 -2.626 -8.391 316 1HB ASP 40 HB2 ASP 40 -4.829 -1.416 -8.191 317 2HB ASP 40 HB1 ASP 40 -5.757 -0.814 -6.831 318 H ALA 41 HN ALA 41 -4.181 -3.432 -8.717 319 HA ALA 41 HA ALA 41 -4.395 -6.254 -8.845 320 1HB ALA 41 HB2 ALA 41 -1.958 -4.472 -9.083 321 2HB ALA 41 HB1 ALA 41 -2.030 -6.171 -9.550 322 3HB ALA 41 HB3 ALA 41 -3.013 -4.981 -10.403 323 H LYS 42 HN LYS 42 -2.778 -4.110 -6.504 324 HA LYS 42 HA LYS 42 -1.402 -6.164 -5.070 325 1HB LYS 42 HB2 LYS 42 -2.279 -3.423 -4.136 326 2HB LYS 42 HB1 LYS 42 -1.117 -4.464 -3.326 327 1HG LYS 42 HG2 LYS 42 -0.073 -4.344 -5.860 328 2HG LYS 42 HG1 LYS 42 -0.784 -2.742 -5.690 329 1HD LYS 42 HD2 LYS 42 0.463 -2.391 -3.611 330 2HD LYS 42 HD1 LYS 42 1.150 -4.005 -3.737 331 1HE LYS 42 HE2 LYS 42 2.825 -2.532 -4.555 332 2HE LYS 42 HE1 LYS 42 2.119 -3.292 -5.975 333 1HZ LYS 42 HZ2 LYS 42 1.268 -0.640 -4.958 334 2HZ LYS 42 HZ1 LYS 42 2.479 -0.853 -6.148 335 3HZ LYS 42 HZ3 LYS 42 0.882 -1.354 -6.460 336 H SER 43 HN SER 43 -4.493 -4.452 -4.472 337 HA SER 43 HA SER 43 -5.184 -5.859 -2.107 338 1HB SER 43 HB2 SER 43 -6.987 -4.523 -4.131 339 2HB SER 43 HB1 SER 43 -7.445 -5.003 -2.497 340 HG SER 43 HG SER 43 -5.330 -3.608 -2.076 341 H ALA 44 HN ALA 44 -5.718 -6.573 -5.521 342 HA ALA 44 HA ALA 44 -7.483 -8.803 -5.121 343 1HB ALA 44 HB1 ALA 44 -5.786 -8.045 -7.513 344 2HB ALA 44 HB3 ALA 44 -7.066 -9.261 -7.508 345 3HB ALA 44 HB2 ALA 44 -7.461 -7.566 -7.231 346 H ALA 45 HN ALA 45 -3.991 -8.434 -5.539 347 HA ALA 45 HA ALA 45 -3.394 -11.235 -5.722 348 1HB ALA 45 HB3 ALA 45 -1.667 -8.826 -5.118 349 2HB ALA 45 HB2 ALA 45 -1.041 -10.465 -5.310 350 3HB ALA 45 HB1 ALA 45 -1.841 -9.663 -6.663 351 H SER 46 HN SER 46 -3.135 -8.845 -3.082 352 HA SER 46 HA SER 46 -2.119 -10.634 -1.130 353 1HB SER 46 HB2 SER 46 -2.253 -8.002 -1.228 354 2HB SER 46 HB1 SER 46 -3.765 -8.247 -0.370 355 HG SER 46 HG SER 46 -2.692 -9.093 1.339 356 H GLY 47 HN GLY 47 -5.435 -9.475 -1.777 357 1HA GLY 47 HA2 GLY 47 -7.336 -10.954 -1.598 358 2HA GLY 47 HA1 GLY 47 -6.512 -11.808 -0.292 359 H ILE 48 HN ILE 48 -7.097 -8.391 -0.982 360 HA ILE 48 HA ILE 48 -8.256 -8.011 1.714 361 HB ILE 48 HB ILE 48 -6.712 -6.181 -0.124 362 1HG1 ILE 48 HG12 ILE 48 -6.143 -6.894 2.752 363 2HG1 ILE 48 HG11 ILE 48 -5.526 -7.841 1.402 364 1HG2 ILE 48 HG22 ILE 48 -8.375 -5.515 2.292 365 2HG2 ILE 48 HG21 ILE 48 -6.975 -4.537 1.857 366 3HG2 ILE 48 HG23 ILE 48 -8.319 -4.703 0.726 367 1HD1 ILE 48 HD11 ILE 48 -5.062 -4.871 1.600 368 2HD1 ILE 48 HD13 ILE 48 -3.981 -6.044 2.355 369 3HD1 ILE 48 HD12 ILE 48 -4.203 -6.057 0.607 370 HA PRO 49 HA PRO 49 -11.945 -7.421 -0.788 371 1HB PRO 49 HB2 PRO 49 -13.692 -6.975 1.251 372 2HB PRO 49 HB1 PRO 49 -13.130 -8.576 0.752 373 1HG PRO 49 HG2 PRO 49 -12.240 -6.876 3.033 374 2HG PRO 49 HG1 PRO 49 -12.469 -8.631 2.959 375 1HD PRO 49 HD2 PRO 49 -10.028 -7.413 2.814 376 2HD PRO 49 HD1 PRO 49 -10.381 -8.988 2.073 377 H TYR 50 HN TYR 50 -12.973 -5.746 -1.673 378 HA TYR 50 HA TYR 50 -12.207 -3.034 -0.948 379 1HB TYR 50 HB2 TYR 50 -12.146 -3.738 -3.282 380 2HB TYR 50 HB1 TYR 50 -13.848 -4.161 -3.230 381 HD1 TYR 50 HD1 TYR 50 -11.812 -1.168 -2.279 382 HD2 TYR 50 HD2 TYR 50 -15.178 -2.690 -4.427 383 HE1 TYR 50 HE1 TYR 50 -12.396 1.115 -2.987 384 HE2 TYR 50 HE2 TYR 50 -15.753 -0.400 -5.133 385 HH TYR 50 HH TYR 50 -15.313 2.004 -4.135 386 H HIS 51 HN HIS 51 -15.250 -4.767 -1.552 387 HA HIS 51 HA HIS 51 -16.714 -2.878 0.210 388 1HB HIS 51 HB2 HIS 51 -17.532 -4.428 -2.255 389 2HB HIS 51 HB1 HIS 51 -18.739 -3.901 -1.094 390 HD1 HIS 51 HD1 HIS 51 -19.501 -2.590 -3.382 391 HD2 HIS 51 HD2 HIS 51 -16.180 -1.119 -1.390 392 HE1 HIS 51 HE1 HIS 51 -19.230 -0.238 -4.204 393 H SER 52 HN SER 52 -18.990 -4.432 0.594 394 HA SER 52 HA SER 52 -18.098 -6.295 2.622 395 1HB SER 52 HB2 SER 52 -20.974 -6.026 1.798 396 2HB SER 52 HB1 SER 52 -20.284 -6.284 3.400 397 HG SER 52 HG SER 52 -20.998 -3.971 2.257 398 H GLU 53 HN GLU 53 -19.952 -6.481 -0.410 399 HA GLU 53 HA GLU 53 -19.635 -9.428 -0.454 400 1HB GLU 53 HB2 GLU 53 -21.471 -7.561 -1.976 401 2HB GLU 53 HB1 GLU 53 -21.312 -9.279 -2.330 402 1HG GLU 53 HG2 GLU 53 -21.716 -9.197 0.433 403 2HG GLU 53 HG1 GLU 53 -22.783 -7.937 -0.182 404 H VAL 54 HN VAL 54 -17.487 -9.510 -1.095 405 HA VAL 54 HA VAL 54 -16.648 -8.142 -3.536 406 HB VAL 54 HB VAL 54 -15.246 -9.569 -1.318 407 1HG1 VAL 54 HG11 VAL 54 -14.196 -9.301 -4.117 408 2HG1 VAL 54 HG13 VAL 54 -13.112 -9.239 -2.732 409 3HG1 VAL 54 HG12 VAL 54 -14.089 -10.676 -3.020 410 1HG2 VAL 54 HG23 VAL 54 -15.057 -6.913 -2.698 411 2HG2 VAL 54 HG22 VAL 54 -15.424 -7.261 -1.007 412 3HG2 VAL 54 HG21 VAL 54 -13.792 -7.498 -1.626 413 HA PRO 55 HA PRO 55 -16.224 -12.590 -5.173 414 1HB PRO 55 HB2 PRO 55 -16.835 -14.737 -3.629 415 2HB PRO 55 HB1 PRO 55 -15.241 -13.974 -3.646 416 1HG PRO 55 HG2 PRO 55 -17.364 -13.846 -1.598 417 2HG PRO 55 HG1 PRO 55 -15.612 -13.683 -1.420 418 1HD PRO 55 HD2 PRO 55 -17.515 -11.598 -1.468 419 2HD PRO 55 HD1 PRO 55 -15.753 -11.438 -1.530 420 H VAL 56 HN VAL 56 -18.031 -11.926 -6.387 421 HA VAL 56 HA VAL 56 -20.704 -12.832 -5.502 422 HB VAL 56 HB VAL 56 -19.886 -10.908 -7.688 423 1HG1 VAL 56 HG13 VAL 56 -22.595 -11.831 -6.726 424 2HG1 VAL 56 HG12 VAL 56 -22.357 -10.335 -7.625 425 3HG1 VAL 56 HG11 VAL 56 -21.948 -11.880 -8.369 426 1HG2 VAL 56 HG21 VAL 56 -21.055 -10.475 -4.933 427 2HG2 VAL 56 HG23 VAL 56 -19.469 -9.959 -5.512 428 3HG2 VAL 56 HG22 VAL 56 -20.929 -9.220 -6.169 429 H SER 57 HN SER 57 -21.870 -14.309 -6.639 430 HA SER 57 HA SER 57 -20.571 -16.225 -8.207 431 1HB SER 57 HB2 SER 57 -23.498 -15.664 -7.866 432 2HB SER 57 HB1 SER 57 -22.813 -17.145 -8.494 433 HG SER 57 HG SER 57 -21.933 -16.204 -5.996 434 H LEU 58 HN LEU 58 -20.235 -16.448 -10.317 435 HA LEU 58 HA LEU 58 -21.558 -14.620 -12.239 436 1HB LEU 58 HB2 LEU 58 -19.023 -14.303 -11.643 437 2HB LEU 58 HB1 LEU 58 -18.786 -15.715 -12.665 438 HG LEU 58 HG LEU 58 -20.109 -14.477 -14.452 439 1HD1 LEU 58 HD13 LEU 58 -19.916 -12.372 -12.352 440 2HD1 LEU 58 HD12 LEU 58 -19.732 -11.878 -14.037 441 3HD1 LEU 58 HD11 LEU 58 -21.199 -12.700 -13.511 442 1HD2 LEU 58 HD23 LEU 58 -17.383 -13.689 -13.485 443 2HD2 LEU 58 HD22 LEU 58 -17.840 -14.647 -14.894 444 3HD2 LEU 58 HD21 LEU 58 -18.084 -12.900 -14.900 445 H LYS 59 HN LYS 59 -22.329 -17.338 -11.371 446 HA LYS 59 HA LYS 59 -21.669 -19.092 -13.602 447 1HB LYS 59 HB2 LYS 59 -22.056 -19.745 -11.100 448 2HB LYS 59 HB1 LYS 59 -23.761 -19.705 -11.522 449 1HG LYS 59 HG2 LYS 59 -22.074 -21.194 -13.425 450 2HG LYS 59 HG1 LYS 59 -22.104 -21.873 -11.804 451 1HD LYS 59 HD2 LYS 59 -24.750 -21.094 -12.864 452 2HD LYS 59 HD1 LYS 59 -23.955 -22.397 -13.744 453 1HE LYS 59 HE2 LYS 59 -24.187 -22.431 -10.734 454 2HE LYS 59 HE1 LYS 59 -25.474 -23.041 -11.769 455 1HZ LYS 59 HZ3 LYS 59 -23.719 -24.472 -12.834 456 2HZ LYS 59 HZ2 LYS 59 -22.703 -24.050 -11.529 457 3HZ LYS 59 HZ1 LYS 59 -24.157 -24.883 -11.239 458 H GLU 60 HN GLU 60 -22.573 -18.496 -15.458 459 HA GLU 60 HA GLU 60 -24.117 -18.125 -17.084 460 1HB GLU 60 HB2 GLU 60 -26.182 -19.027 -15.064 461 2HB GLU 60 HB1 GLU 60 -26.387 -18.923 -16.806 462 1HG GLU 60 HG2 GLU 60 -24.089 -20.510 -16.418 463 2HG GLU 60 HG1 GLU 60 -25.254 -21.067 -15.222 464 H ALA 61 HN ALA 61 -23.321 -15.900 -16.402 465 HA ALA 61 HA ALA 61 -25.418 -14.155 -15.291 466 1HB ALA 61 HB1 ALA 61 -22.768 -14.121 -14.865 467 2HB ALA 61 HB3 ALA 61 -22.812 -13.078 -16.292 468 3HB ALA 61 HB2 ALA 61 -23.740 -12.649 -14.849 469 H ILE 62 HN ILE 62 -26.607 -12.787 -16.539 470 HA ILE 62 HA ILE 62 -26.406 -13.032 -19.445 471 HB ILE 62 HB ILE 62 -28.345 -11.408 -17.789 472 1HG1 ILE 62 HG12 ILE 62 -29.751 -13.554 -18.730 473 2HG1 ILE 62 HG11 ILE 62 -28.200 -14.296 -18.359 474 1HG2 ILE 62 HG21 ILE 62 -28.000 -11.900 -20.673 475 2HG2 ILE 62 HG23 ILE 62 -29.647 -12.098 -20.072 476 3HG2 ILE 62 HG22 ILE 62 -28.800 -10.570 -19.833 477 1HD1 ILE 62 HD11 ILE 62 -28.406 -13.052 -16.090 478 2HD1 ILE 62 HD13 ILE 62 -30.106 -12.884 -16.524 479 3HD1 ILE 62 HD12 ILE 62 -29.395 -14.490 -16.352 480 H CYS 63 HN CYS 63 -25.600 -11.504 -20.776 481 HA CYS 63 HA CYS 63 -24.829 -8.891 -19.619 482 1HB CYS 63 HB2 CYS 63 -22.955 -10.665 -19.848 483 2HB CYS 63 HB1 CYS 63 -23.064 -10.340 -21.573 484 HG CYS 63 HG CYS 63 -22.690 -7.791 -19.962 485 H GLU 64 HN GLU 64 -24.847 -7.140 -20.971 486 HA GLU 64 HA GLU 64 -25.770 -7.466 -23.760 487 1HB GLU 64 HB2 GLU 64 -27.019 -5.615 -21.705 488 2HB GLU 64 HB1 GLU 64 -27.365 -5.592 -23.431 489 1HG GLU 64 HG2 GLU 64 -27.974 -8.098 -23.101 490 2HG GLU 64 HG1 GLU 64 -28.081 -7.685 -21.391 491 H VAL 65 HN VAL 65 -25.280 -5.582 -25.092 492 HA VAL 65 HA VAL 65 -22.902 -4.137 -24.106 493 HB VAL 65 HB VAL 65 -23.993 -4.277 -26.918 494 1HG1 VAL 65 HG11 VAL 65 -21.414 -3.290 -25.718 495 2HG1 VAL 65 HG13 VAL 65 -21.515 -3.782 -27.408 496 3HG1 VAL 65 HG12 VAL 65 -22.516 -2.455 -26.818 497 1HG2 VAL 65 HG21 VAL 65 -22.422 -6.223 -25.357 498 2HG2 VAL 65 HG23 VAL 65 -23.433 -6.462 -26.783 499 3HG2 VAL 65 HG22 VAL 65 -21.785 -5.857 -26.959 500 H ALA 66 HN ALA 66 -22.766 -1.951 -24.022 501 HA ALA 66 HA ALA 66 -25.149 -0.311 -24.671 502 1HB ALA 66 HB3 ALA 66 -23.426 -0.130 -22.180 503 2HB ALA 66 HB2 ALA 66 -24.702 1.002 -22.618 504 3HB ALA 66 HB1 ALA 66 -25.102 -0.677 -22.240 505 H LEU 67 HN LEU 67 -24.175 0.358 -26.571 506 HA LEU 67 HA LEU 67 -21.495 1.409 -26.694 507 1HB LEU 67 HB2 LEU 67 -23.275 0.396 -28.530 508 2HB LEU 67 HB1 LEU 67 -23.349 2.118 -28.876 509 HG LEU 67 HG LEU 67 -21.680 1.161 -30.272 510 1HD1 LEU 67 HD23 LEU 67 -21.196 3.358 -29.083 511 2HD1 LEU 67 HD22 LEU 67 -20.070 2.439 -28.080 512 3HD1 LEU 67 HD21 LEU 67 -19.830 2.531 -29.826 513 1HD2 LEU 67 HD13 LEU 67 -21.275 -0.902 -29.013 514 2HD2 LEU 67 HD12 LEU 67 -19.763 -0.110 -29.445 515 3HD2 LEU 67 HD11 LEU 67 -20.382 0.008 -27.795 516 H ASP 68 HN ASP 68 -24.738 2.844 -26.542 517 HA ASP 68 HA ASP 68 -23.513 5.540 -26.294 518 1HB ASP 68 HB2 ASP 68 -24.856 5.150 -28.361 519 2HB ASP 68 HB1 ASP 68 -26.262 4.828 -27.350 520 H TYR 69 HN TYR 69 -23.319 5.015 -23.971 521 HA TYR 69 HA TYR 69 -25.845 5.500 -22.505 522 1HB TYR 69 HB2 TYR 69 -24.952 3.195 -22.179 523 2HB TYR 69 HB1 TYR 69 -23.478 3.884 -21.521 524 HD1 TYR 69 HD1 TYR 69 -27.185 4.163 -21.049 525 HD2 TYR 69 HD2 TYR 69 -23.322 4.067 -19.230 526 HE1 TYR 69 HE1 TYR 69 -28.231 4.232 -18.820 527 HE2 TYR 69 HE2 TYR 69 -24.372 4.146 -17.004 528 HH TYR 69 HH TYR 69 -26.353 4.634 -15.898 529 H LYS 70 HN LYS 70 -24.921 7.759 -23.130 530 HA LYS 70 HA LYS 70 -24.228 9.783 -22.323 531 1HB LYS 70 HB2 LYS 70 -23.252 8.458 -19.783 532 2HB LYS 70 HB1 LYS 70 -23.760 10.124 -20.030 533 1HG LYS 70 HG2 LYS 70 -26.047 8.933 -20.735 534 2HG LYS 70 HG1 LYS 70 -25.429 7.670 -19.676 535 1HD LYS 70 HD2 LYS 70 -25.449 9.063 -17.793 536 2HD LYS 70 HD1 LYS 70 -25.500 10.533 -18.760 537 1HE LYS 70 HE2 LYS 70 -27.759 8.529 -18.708 538 2HE LYS 70 HE1 LYS 70 -27.668 9.899 -17.604 539 1HZ LYS 70 HZ2 LYS 70 -27.326 11.162 -19.888 540 2HZ LYS 70 HZ1 LYS 70 -28.242 9.839 -20.461 541 3HZ LYS 70 HZ3 LYS 70 -28.873 10.835 -19.235 542 H LYS 71 HN LYS 71 -21.904 7.365 -21.135 543 HA LYS 71 HA LYS 71 -19.652 8.932 -22.189 544 1HB LYS 71 HB2 LYS 71 -19.662 6.292 -20.676 545 2HB LYS 71 HB1 LYS 71 -18.250 7.267 -21.066 546 1HG LYS 71 HG2 LYS 71 -19.503 9.150 -19.753 547 2HG LYS 71 HG1 LYS 71 -20.442 7.822 -19.082 548 1HD LYS 71 HD2 LYS 71 -17.476 7.535 -19.048 549 2HD LYS 71 HD1 LYS 71 -18.180 8.717 -17.950 550 1HE LYS 71 HE2 LYS 71 -19.522 7.057 -16.873 551 2HE LYS 71 HE1 LYS 71 -19.137 5.855 -18.100 552 1HZ LYS 71 HZ1 LYS 71 -16.702 6.348 -17.286 553 2HZ LYS 71 HZ3 LYS 71 -17.505 6.831 -15.861 554 3HZ LYS 71 HZ2 LYS 71 -17.699 5.249 -16.467 555 H LYS 72 HN LYS 72 -19.961 8.729 -24.388 556 HA LYS 72 HA LYS 72 -20.580 6.312 -25.753 557 1HB LYS 72 HB2 LYS 72 -19.348 8.856 -26.842 558 2HB LYS 72 HB1 LYS 72 -20.119 7.582 -27.782 559 1HG LYS 72 HG2 LYS 72 -22.262 8.022 -26.714 560 2HG LYS 72 HG1 LYS 72 -21.518 9.212 -25.654 561 1HD LYS 72 HD2 LYS 72 -22.645 10.390 -27.423 562 2HD LYS 72 HD1 LYS 72 -20.909 10.576 -27.641 563 1HE LYS 72 HE2 LYS 72 -22.062 10.122 -29.773 564 2HE LYS 72 HE1 LYS 72 -20.908 8.854 -29.376 565 1HZ LYS 72 HZ2 LYS 72 -23.466 8.246 -28.300 566 2HZ LYS 72 HZ1 LYS 72 -23.578 8.551 -29.972 567 3HZ LYS 72 HZ3 LYS 72 -22.510 7.354 -29.403 568 H LYS 73 HN LYS 73 -18.955 4.985 -24.664 569 HA LYS 73 HA LYS 73 -16.392 4.926 -26.149 570 1HB LYS 73 HB2 LYS 73 -16.839 4.362 -23.200 571 2HB LYS 73 HB1 LYS 73 -15.337 4.048 -24.070 572 1HG LYS 73 HG2 LYS 73 -14.908 6.334 -24.382 573 2HG LYS 73 HG1 LYS 73 -16.571 6.797 -24.044 574 1HD LYS 73 HD2 LYS 73 -16.270 6.799 -21.801 575 2HD LYS 73 HD1 LYS 73 -15.192 5.407 -21.832 576 1HE LYS 73 HE2 LYS 73 -14.352 8.138 -22.810 577 2HE LYS 73 HE1 LYS 73 -14.159 7.632 -21.135 578 1HZ LYS 73 HZ3 LYS 73 -13.038 5.571 -22.356 579 2HZ LYS 73 HZ2 LYS 73 -12.720 6.778 -23.524 580 3HZ LYS 73 HZ1 LYS 73 -12.166 6.970 -21.921 581 H HIS 74 HN HIS 74 -17.161 2.635 -23.686 582 HA HIS 74 HA HIS 74 -18.518 0.725 -25.363 583 1HB HIS 74 HB2 HIS 74 -15.572 0.573 -24.936 584 2HB HIS 74 HB1 HIS 74 -16.460 -0.924 -24.703 585 HD1 HIS 74 HD1 HIS 74 -14.691 0.721 -27.221 586 HD2 HIS 74 HD2 HIS 74 -18.343 -1.236 -27.175 587 HE1 HIS 74 HE1 HIS 74 -15.146 0.131 -29.610 588 H VAL 75 HN VAL 75 -20.039 0.720 -23.735 589 HA VAL 75 HA VAL 75 -19.212 -0.306 -21.081 590 HB VAL 75 HB VAL 75 -21.623 1.343 -21.895 591 1HG1 VAL 75 HG11 VAL 75 -20.934 0.024 -19.279 592 2HG1 VAL 75 HG13 VAL 75 -21.977 1.443 -19.357 593 3HG1 VAL 75 HG12 VAL 75 -22.452 -0.042 -20.178 594 1HG2 VAL 75 HG21 VAL 75 -19.432 2.550 -21.686 595 2HG2 VAL 75 HG23 VAL 75 -20.692 3.105 -20.583 596 3HG2 VAL 75 HG22 VAL 75 -19.402 2.061 -19.991 597 H PHE 76 HN PHE 76 -20.566 -1.950 -20.133 598 HA PHE 76 HA PHE 76 -22.558 -3.213 -21.864 599 1HB PHE 76 HB2 PHE 76 -21.602 -5.460 -21.542 600 2HB PHE 76 HB1 PHE 76 -20.568 -4.414 -22.496 601 HD1 PHE 76 HD1 PHE 76 -18.450 -3.560 -21.578 602 HD2 PHE 76 HD2 PHE 76 -20.883 -6.321 -19.411 603 HE1 PHE 76 HE1 PHE 76 -16.565 -4.035 -20.064 604 HE2 PHE 76 HE2 PHE 76 -18.997 -6.796 -17.898 605 HZ PHE 76 HZ PHE 76 -16.801 -5.759 -18.308 606 H LYS 77 HN LYS 77 -24.186 -4.129 -20.794 607 HA LYS 77 HA LYS 77 -24.354 -3.644 -17.918 608 1HB LYS 77 HB2 LYS 77 -26.183 -2.962 -19.474 609 2HB LYS 77 HB1 LYS 77 -26.459 -4.665 -19.830 610 1HG LYS 77 HG2 LYS 77 -27.272 -5.126 -17.697 611 2HG LYS 77 HG1 LYS 77 -26.512 -3.704 -16.989 612 1HD LYS 77 HD2 LYS 77 -28.164 -2.267 -17.733 613 2HD LYS 77 HD1 LYS 77 -28.589 -3.297 -19.097 614 1HE LYS 77 HE2 LYS 77 -30.295 -4.143 -17.922 615 2HE LYS 77 HE1 LYS 77 -29.158 -4.783 -16.745 616 1HZ LYS 77 HZ1 LYS 77 -29.343 -2.163 -16.065 617 2HZ LYS 77 HZ3 LYS 77 -30.937 -2.550 -16.542 618 3HZ LYS 77 HZ2 LYS 77 -30.174 -3.449 -15.313 619 H LEU 78 HN LEU 78 -24.484 -5.181 -16.407 620 HA LEU 78 HA LEU 78 -24.319 -8.025 -17.223 621 1HB LEU 78 HB2 LEU 78 -22.406 -6.418 -15.819 622 2HB LEU 78 HB1 LEU 78 -23.034 -7.611 -14.696 623 HG LEU 78 HG LEU 78 -21.814 -8.157 -17.395 624 1HD1 LEU 78 HD23 LEU 78 -20.834 -8.322 -14.581 625 2HD1 LEU 78 HD22 LEU 78 -20.237 -9.492 -15.755 626 3HD1 LEU 78 HD21 LEU 78 -20.004 -7.765 -16.033 627 1HD2 LEU 78 HD11 LEU 78 -23.644 -9.750 -15.871 628 2HD2 LEU 78 HD13 LEU 78 -22.845 -10.131 -17.397 629 3HD2 LEU 78 HD12 LEU 78 -22.066 -10.533 -15.867 630 H ARG 79 HN ARG 79 -25.890 -9.228 -16.421 631 HA ARG 79 HA ARG 79 -27.323 -8.386 -13.954 632 1HB ARG 79 HB2 ARG 79 -28.660 -8.514 -16.151 633 2HB ARG 79 HB1 ARG 79 -28.409 -10.252 -16.073 634 1HG ARG 79 HG2 ARG 79 -29.429 -10.193 -13.760 635 2HG ARG 79 HG1 ARG 79 -29.855 -8.514 -14.066 636 1HD ARG 79 HD2 ARG 79 -30.677 -10.438 -16.165 637 2HD ARG 79 HD1 ARG 79 -31.490 -10.619 -14.611 638 HE ARG 79 HE ARG 79 -31.455 -8.061 -16.157 639 1HH1 ARG 79 HH21 ARG 79 -32.633 -7.115 -13.887 640 2HH1 ARG 79 HH22 ARG 79 -34.286 -7.678 -13.841 641 1HH2 ARG 79 HH11 ARG 79 -33.773 -10.222 -16.227 642 2HH2 ARG 79 HH12 ARG 79 -34.940 -9.451 -15.174 643 H LEU 80 HN LEU 80 -26.174 -9.433 -12.439 644 HA LEU 80 HA LEU 80 -25.012 -12.033 -12.817 645 1HB LEU 80 HB2 LEU 80 -25.393 -10.560 -10.206 646 2HB LEU 80 HB1 LEU 80 -24.206 -11.803 -10.579 647 HG LEU 80 HG LEU 80 -24.311 -8.973 -11.612 648 1HD1 LEU 80 HD11 LEU 80 -23.292 -9.389 -9.383 649 2HD1 LEU 80 HD13 LEU 80 -22.140 -10.480 -10.150 650 3HD1 LEU 80 HD12 LEU 80 -22.138 -8.767 -10.566 651 1HD2 LEU 80 HD22 LEU 80 -22.808 -11.346 -12.652 652 2HD2 LEU 80 HD21 LEU 80 -23.630 -10.065 -13.544 653 3HD2 LEU 80 HD23 LEU 80 -22.093 -9.735 -12.746 654 H SER 81 HN SER 81 -25.603 -13.977 -11.984 655 HA SER 81 HA SER 81 -28.384 -14.478 -11.481 656 1HB SER 81 HB2 SER 81 -27.265 -16.844 -10.927 657 2HB SER 81 HB1 SER 81 -27.477 -16.270 -12.577 658 HG SER 81 HG SER 81 -25.374 -16.794 -12.561 659 H ASP 82 HN ASP 82 -26.120 -13.174 -9.535 660 HA ASP 82 HA ASP 82 -26.685 -14.587 -7.042 661 1HB ASP 82 HB2 ASP 82 -24.448 -13.438 -7.767 662 2HB ASP 82 HB1 ASP 82 -25.241 -11.944 -7.281 663 H GLY 83 HN GLY 83 -27.949 -12.010 -8.900 664 1HA GLY 83 HA2 GLY 83 -30.099 -11.066 -8.499 665 2HA GLY 83 HA1 GLY 83 -29.843 -11.261 -6.766 666 H ASN 84 HN ASN 84 -27.743 -9.820 -9.300 667 HA ASN 84 HA ASN 84 -28.093 -7.129 -8.165 668 1HB ASN 84 HB2 ASN 84 -25.471 -8.645 -8.231 669 2HB ASN 84 HB1 ASN 84 -25.526 -6.884 -8.242 670 1HD2 ASN 84 HD22 ASN 84 -25.403 -8.507 -4.743 671 2HD2 ASN 84 HD21 ASN 84 -24.668 -9.015 -6.225 672 H GLU 85 HN GLU 85 -27.448 -5.483 -9.615 673 HA GLU 85 HA GLU 85 -26.851 -6.343 -12.396 674 1HB GLU 85 HB2 GLU 85 -28.865 -4.331 -11.389 675 2HB GLU 85 HB1 GLU 85 -28.244 -4.288 -13.037 676 1HG GLU 85 HG2 GLU 85 -28.987 -6.709 -13.250 677 2HG GLU 85 HG1 GLU 85 -29.837 -6.489 -11.721 678 H TYR 86 HN TYR 86 -25.210 -5.229 -13.379 679 HA TYR 86 HA TYR 86 -24.268 -2.673 -12.220 680 1HB TYR 86 HB2 TYR 86 -22.490 -5.055 -12.792 681 2HB TYR 86 HB1 TYR 86 -21.927 -3.452 -12.353 682 HD1 TYR 86 HD1 TYR 86 -22.253 -2.593 -10.068 683 HD2 TYR 86 HD2 TYR 86 -23.293 -6.588 -11.156 684 HE1 TYR 86 HE1 TYR 86 -22.264 -3.241 -7.693 685 HE2 TYR 86 HE2 TYR 86 -23.302 -7.230 -8.782 686 HH TYR 86 HH TYR 86 -23.101 -4.890 -6.230 687 H LEU 87 HN LEU 87 -22.986 -1.423 -13.615 688 HA LEU 87 HA LEU 87 -23.086 -2.114 -16.502 689 1HB LEU 87 HB2 LEU 87 -22.944 0.607 -15.162 690 2HB LEU 87 HB1 LEU 87 -22.800 0.337 -16.892 691 HG LEU 87 HG LEU 87 -25.200 -0.029 -15.141 692 1HD1 LEU 87 HD11 LEU 87 -24.456 1.702 -17.452 693 2HD1 LEU 87 HD13 LEU 87 -26.153 1.308 -17.173 694 3HD1 LEU 87 HD12 LEU 87 -25.225 2.136 -15.922 695 1HD2 LEU 87 HD23 LEU 87 -24.680 -1.219 -17.845 696 2HD2 LEU 87 HD22 LEU 87 -25.303 -2.001 -16.391 697 3HD2 LEU 87 HD21 LEU 87 -26.315 -0.866 -17.283 698 H PHE 88 HN PHE 88 -21.119 -2.507 -17.378 699 HA PHE 88 HA PHE 88 -18.726 -1.649 -15.872 700 1HB PHE 88 HB2 PHE 88 -19.316 -4.154 -17.397 701 2HB PHE 88 HB1 PHE 88 -17.662 -3.653 -17.064 702 HD1 PHE 88 HD1 PHE 88 -16.960 -3.308 -14.653 703 HD2 PHE 88 HD2 PHE 88 -20.602 -5.242 -15.765 704 HE1 PHE 88 HE1 PHE 88 -17.102 -4.330 -12.421 705 HE2 PHE 88 HE2 PHE 88 -20.740 -6.270 -13.533 706 HZ PHE 88 HZ PHE 88 -19.003 -5.765 -11.839 707 H GLN 89 HN GLN 89 -17.246 -0.459 -16.881 708 HA GLN 89 HA GLN 89 -17.515 -0.006 -19.803 709 1HB GLN 89 HB2 GLN 89 -17.967 1.952 -18.250 710 2HB GLN 89 HB1 GLN 89 -16.271 1.880 -17.810 711 1HG GLN 89 HG2 GLN 89 -15.670 2.176 -20.215 712 2HG GLN 89 HG1 GLN 89 -17.379 2.400 -20.572 713 1HE2 GLN 89 HE22 GLN 89 -15.235 5.314 -18.658 714 2HE2 GLN 89 HE21 GLN 89 -14.618 3.698 -18.841 715 H ALA 90 HN ALA 90 -15.861 -0.535 -21.038 716 HA ALA 90 HA ALA 90 -13.312 -1.406 -19.814 717 1HB ALA 90 HB2 ALA 90 -14.720 -2.036 -22.406 718 2HB ALA 90 HB1 ALA 90 -12.987 -2.335 -22.225 719 3HB ALA 90 HB3 ALA 90 -14.143 -3.143 -21.162 720 H LYS 91 HN LYS 91 -11.397 -1.043 -21.443 721 HA LYS 91 HA LYS 91 -11.343 1.852 -22.044 722 1HB LYS 91 HB2 LYS 91 -8.928 0.069 -22.160 723 2HB LYS 91 HB1 LYS 91 -9.021 1.796 -21.859 724 1HG LYS 91 HG2 LYS 91 -9.005 1.447 -19.660 725 2HG LYS 91 HG1 LYS 91 -10.451 0.453 -19.779 726 1HD LYS 91 HD2 LYS 91 -8.765 -1.390 -20.612 727 2HD LYS 91 HD1 LYS 91 -7.569 -0.377 -19.817 728 1HE LYS 91 HE2 LYS 91 -8.355 -2.140 -18.339 729 2HE LYS 91 HE1 LYS 91 -8.810 -0.559 -17.715 730 1HZ LYS 91 HZ1 LYS 91 -10.636 -2.230 -19.325 731 2HZ LYS 91 HZ3 LYS 91 -10.552 -2.341 -17.635 732 3HZ LYS 91 HZ2 LYS 91 -11.025 -0.870 -18.355 733 H ASP 92 HN ASP 92 -10.427 -1.276 -23.436 734 HA ASP 92 HA ASP 92 -10.382 -0.060 -26.146 735 1HB ASP 92 HB2 ASP 92 -8.322 -1.244 -25.255 736 2HB ASP 92 HB1 ASP 92 -9.245 -2.740 -25.322 737 H ASP 93 HN ASP 93 -11.311 -1.136 -27.901 738 HA ASP 93 HA ASP 93 -13.921 -2.183 -27.590 739 1HB ASP 93 HB2 ASP 93 -12.883 -1.038 -29.627 740 2HB ASP 93 HB1 ASP 93 -12.098 -2.571 -29.986 741 H GLU 94 HN GLU 94 -10.806 -3.742 -28.240 742 HA GLU 94 HA GLU 94 -11.709 -6.417 -28.510 743 1HB GLU 94 HB2 GLU 94 -9.464 -5.504 -29.193 744 2HB GLU 94 HB1 GLU 94 -9.016 -5.475 -27.491 745 1HG GLU 94 HG2 GLU 94 -9.511 -7.963 -27.429 746 2HG GLU 94 HG1 GLU 94 -9.676 -7.899 -29.183 747 H GLU 95 HN GLU 95 -10.596 -4.526 -25.733 748 HA GLU 95 HA GLU 95 -10.553 -6.541 -23.770 749 1HB GLU 95 HB2 GLU 95 -9.752 -4.059 -23.680 750 2HB GLU 95 HB1 GLU 95 -11.396 -3.732 -23.141 751 1HG GLU 95 HG2 GLU 95 -10.798 -5.784 -21.498 752 2HG GLU 95 HG1 GLU 95 -9.174 -5.162 -21.759 753 H MET 96 HN MET 96 -13.156 -4.276 -24.676 754 HA MET 96 HA MET 96 -15.110 -5.099 -22.843 755 1HB MET 96 HB2 MET 96 -15.102 -3.117 -24.533 756 2HB MET 96 HB1 MET 96 -15.840 -4.270 -25.640 757 1HG MET 96 HG2 MET 96 -17.467 -4.724 -23.627 758 2HG MET 96 HG1 MET 96 -16.905 -3.157 -23.065 759 1HE MET 96 HE3 MET 96 -17.925 -5.049 -26.154 760 2HE MET 96 HE2 MET 96 -19.604 -4.799 -25.688 761 3HE MET 96 HE1 MET 96 -18.949 -3.947 -27.083 762 H ASN 97 HN ASN 97 -14.416 -6.309 -26.113 763 HA ASN 97 HA ASN 97 -16.495 -8.239 -26.253 764 1HB ASN 97 HB2 ASN 97 -15.061 -7.310 -28.157 765 2HB ASN 97 HB1 ASN 97 -13.810 -8.436 -27.637 766 1HD2 ASN 97 HD22 ASN 97 -15.390 -10.392 -30.175 767 2HD2 ASN 97 HD21 ASN 97 -14.167 -9.185 -29.903 768 H THR 98 HN THR 98 -13.130 -8.418 -25.134 769 HA THR 98 HA THR 98 -13.028 -11.208 -24.613 770 HB THR 98 HB THR 98 -11.479 -9.069 -23.143 771 HG1 THR 98 HG1 THR 98 -11.270 -8.651 -25.346 772 1HG2 THR 98 HG23 THR 98 -10.908 -11.961 -23.801 773 2HG2 THR 98 HG22 THR 98 -9.689 -10.836 -23.202 774 3HG2 THR 98 HG21 THR 98 -11.092 -11.229 -22.205 775 H TRP 99 HN TRP 99 -13.906 -8.425 -22.560 776 HA TRP 99 HA TRP 99 -14.233 -9.829 -20.125 777 1HB TRP 99 HB2 TRP 99 -15.213 -7.210 -21.207 778 2HB TRP 99 HB1 TRP 99 -15.905 -7.822 -19.711 779 HD1 TRP 99 HD1 TRP 99 -13.187 -5.636 -20.821 780 HE1 TRP 99 HE1 TRP 99 -11.419 -5.356 -19.003 781 HE3 TRP 99 HE3 TRP 99 -14.505 -9.485 -17.678 782 HZ2 TRP 99 HZ2 TRP 99 -10.659 -6.539 -16.576 783 HZ3 TRP 99 HZ3 TRP 99 -13.203 -9.838 -15.621 784 HH2 TRP 99 HH2 TRP 99 -11.299 -8.377 -15.072 785 H ILE 100 HN ILE 100 -16.711 -8.774 -22.478 786 HA ILE 100 HA ILE 100 -18.955 -9.905 -21.276 787 HB ILE 100 HB ILE 100 -18.311 -9.374 -24.173 788 1HG1 ILE 100 HG12 ILE 100 -20.124 -7.934 -22.226 789 2HG1 ILE 100 HG11 ILE 100 -18.468 -7.455 -22.573 790 1HG2 ILE 100 HG22 ILE 100 -20.805 -10.495 -22.927 791 2HG2 ILE 100 HG21 ILE 100 -20.923 -9.437 -24.332 792 3HG2 ILE 100 HG23 ILE 100 -20.014 -10.944 -24.438 793 1HD1 ILE 100 HD13 ILE 100 -20.673 -7.643 -24.634 794 2HD1 ILE 100 HD12 ILE 100 -20.139 -6.151 -23.858 795 3HD1 ILE 100 HD11 ILE 100 -19.034 -7.045 -24.902 796 H GLN 101 HN GLN 101 -16.790 -11.392 -23.697 797 HA GLN 101 HA GLN 101 -18.180 -13.888 -23.795 798 1HB GLN 101 HB2 GLN 101 -15.414 -13.040 -24.657 799 2HB GLN 101 HB1 GLN 101 -16.008 -14.688 -24.858 800 1HG GLN 101 HG2 GLN 101 -17.994 -13.701 -26.096 801 2HG GLN 101 HG1 GLN 101 -17.136 -12.161 -26.082 802 1HE2 GLN 101 HE22 GLN 101 -15.536 -13.040 -29.049 803 2HE2 GLN 101 HE21 GLN 101 -16.421 -11.875 -28.111 804 H ALA 102 HN ALA 102 -15.327 -12.755 -21.987 805 HA ALA 102 HA ALA 102 -14.662 -15.239 -20.775 806 1HB ALA 102 HB1 ALA 102 -14.127 -12.409 -19.843 807 2HB ALA 102 HB3 ALA 102 -13.381 -13.859 -19.166 808 3HB ALA 102 HB2 ALA 102 -13.067 -13.405 -20.843 809 H ILE 103 HN ILE 103 -16.885 -12.659 -19.866 810 HA ILE 103 HA ILE 103 -17.468 -13.580 -17.223 811 HB ILE 103 HB ILE 103 -18.779 -11.688 -19.153 812 1HG1 ILE 103 HG12 ILE 103 -17.894 -11.047 -16.363 813 2HG1 ILE 103 HG11 ILE 103 -16.687 -11.250 -17.628 814 1HG2 ILE 103 HG22 ILE 103 -19.920 -12.628 -16.527 815 2HG2 ILE 103 HG21 ILE 103 -20.326 -11.066 -17.232 816 3HG2 ILE 103 HG23 ILE 103 -20.712 -12.547 -18.103 817 1HD1 ILE 103 HD11 ILE 103 -18.199 -9.588 -18.966 818 2HD1 ILE 103 HD13 ILE 103 -18.823 -9.170 -17.374 819 3HD1 ILE 103 HD12 ILE 103 -17.107 -8.968 -17.727 820 H SER 104 HN SER 104 -19.039 -14.036 -20.378 821 HA SER 104 HA SER 104 -21.236 -15.589 -19.435 822 1HB SER 104 HB2 SER 104 -20.045 -15.589 -22.215 823 2HB SER 104 HB1 SER 104 -21.684 -16.047 -21.757 824 HG SER 104 HG SER 104 -20.509 -13.449 -21.641 825 H SER 105 HN SER 105 -18.011 -16.429 -20.618 826 HA SER 105 HA SER 105 -18.537 -19.287 -20.632 827 1HB SER 105 HB2 SER 105 -15.845 -17.943 -20.876 828 2HB SER 105 HB1 SER 105 -16.331 -19.532 -21.467 829 HG SER 105 HG SER 105 -16.988 -16.967 -22.472 830 H ALA 106 HN ALA 106 -16.778 -16.986 -18.585 831 HA ALA 106 HA ALA 106 -15.940 -17.092 -16.478 832 1HB ALA 106 HB3 ALA 106 -18.263 -18.009 -16.040 833 2HB ALA 106 HB2 ALA 106 -17.545 -19.619 -16.083 834 3HB ALA 106 HB1 ALA 106 -17.026 -18.453 -14.864 No H/Q in entry = 834 Start of MODEL 17 1 1H MET 1 HT2 MET 1 -8.757 -13.460 -15.237 2 2H MET 1 HT1 MET 1 -9.853 -14.061 -16.398 3 3H MET 1 HT3 MET 1 -8.185 -14.019 -16.744 4 HA MET 1 HA MET 1 -8.244 -11.948 -17.430 5 1HB MET 1 HB2 MET 1 -10.766 -13.025 -17.890 6 2HB MET 1 HB1 MET 1 -11.130 -11.463 -17.170 7 1HG MET 1 HG2 MET 1 -9.374 -11.964 -19.576 8 2HG MET 1 HG1 MET 1 -10.993 -11.276 -19.590 9 1HE MET 1 HE1 MET 1 -11.191 -9.019 -20.213 10 2HE MET 1 HE3 MET 1 -9.928 -7.782 -20.124 11 3HE MET 1 HE2 MET 1 -9.697 -9.208 -21.134 12 H GLU 2 HN GLU 2 -7.160 -10.936 -15.795 13 HA GLU 2 HA GLU 2 -8.754 -9.604 -13.680 14 1HB GLU 2 HB2 GLU 2 -5.893 -10.598 -13.713 15 2HB GLU 2 HB1 GLU 2 -6.536 -9.548 -12.459 16 1HG GLU 2 HG2 GLU 2 -6.695 -11.769 -11.616 17 2HG GLU 2 HG1 GLU 2 -8.318 -11.266 -12.052 18 H GLY 3 HN GLY 3 -8.655 -7.443 -13.508 19 1HA GLY 3 HA2 GLY 3 -6.607 -5.700 -14.086 20 2HA GLY 3 HA1 GLY 3 -7.495 -5.834 -15.571 21 H PHE 4 HN PHE 4 -7.654 -3.425 -14.887 22 HA PHE 4 HA PHE 4 -9.677 -2.834 -12.885 23 1HB PHE 4 HB2 PHE 4 -7.942 -1.191 -14.696 24 2HB PHE 4 HB1 PHE 4 -9.316 -0.457 -13.883 25 HD1 PHE 4 HD1 PHE 4 -9.450 -0.505 -11.383 26 HD2 PHE 4 HD2 PHE 4 -5.922 -1.623 -13.521 27 HE1 PHE 4 HE1 PHE 4 -8.112 -0.192 -9.349 28 HE2 PHE 4 HE2 PHE 4 -4.591 -1.312 -11.471 29 HZ PHE 4 HZ PHE 4 -5.683 -0.591 -9.389 30 H LEU 5 HN LEU 5 -11.656 -1.946 -13.244 31 HA LEU 5 HA LEU 5 -12.741 -1.679 -15.953 32 1HB LEU 5 HB2 LEU 5 -13.385 -3.883 -14.088 33 2HB LEU 5 HB1 LEU 5 -14.793 -3.024 -14.699 34 HG LEU 5 HG LEU 5 -12.642 -4.323 -16.361 35 1HD1 LEU 5 HD13 LEU 5 -15.442 -5.100 -15.600 36 2HD1 LEU 5 HD12 LEU 5 -14.705 -5.690 -17.092 37 3HD1 LEU 5 HD11 LEU 5 -13.962 -6.063 -15.536 38 1HD2 LEU 5 HD23 LEU 5 -14.840 -2.448 -17.038 39 2HD2 LEU 5 HD22 LEU 5 -13.288 -2.714 -17.838 40 3HD2 LEU 5 HD21 LEU 5 -14.622 -3.833 -18.107 41 H ASN 6 HN ASN 6 -14.537 -0.302 -16.023 42 HA ASN 6 HA ASN 6 -14.962 1.354 -13.633 43 1HB ASN 6 HB2 ASN 6 -15.099 1.747 -16.516 44 2HB ASN 6 HB1 ASN 6 -16.567 2.296 -15.734 45 1HD2 ASN 6 HD22 ASN 6 -14.620 5.292 -15.594 46 2HD2 ASN 6 HD21 ASN 6 -15.698 4.382 -16.600 47 H ARG 7 HN ARG 7 -16.640 0.948 -12.306 48 HA ARG 7 HA ARG 7 -18.859 -0.743 -13.331 49 1HB ARG 7 HB2 ARG 7 -17.437 -1.880 -11.676 50 2HB ARG 7 HB1 ARG 7 -17.739 -0.586 -10.518 51 1HG ARG 7 HG2 ARG 7 -20.057 -1.157 -10.356 52 2HG ARG 7 HG1 ARG 7 -19.957 -2.224 -11.752 53 1HD ARG 7 HD2 ARG 7 -19.940 -3.745 -9.993 54 2HD ARG 7 HD1 ARG 7 -18.216 -3.539 -10.308 55 HE ARG 7 HE ARG 7 -18.540 -1.704 -8.414 56 1HH1 ARG 7 HH21 ARG 7 -20.755 -2.182 -6.912 57 2HH1 ARG 7 HH22 ARG 7 -20.452 -3.591 -5.942 58 1HH2 ARG 7 HH11 ARG 7 -17.791 -4.758 -7.914 59 2HH2 ARG 7 HH12 ARG 7 -18.776 -5.073 -6.522 60 H LYS 8 HN LYS 8 -20.843 -0.019 -13.205 61 HA LYS 8 HA LYS 8 -21.498 2.325 -11.510 62 1HB LYS 8 HB2 LYS 8 -21.380 2.876 -13.926 63 2HB LYS 8 HB1 LYS 8 -22.607 1.678 -14.249 64 1HG LYS 8 HG2 LYS 8 -23.621 3.343 -12.193 65 2HG LYS 8 HG1 LYS 8 -22.910 4.412 -13.392 66 1HD LYS 8 HD2 LYS 8 -24.456 3.878 -15.001 67 2HD LYS 8 HD1 LYS 8 -24.626 2.216 -14.436 68 1HE LYS 8 HE2 LYS 8 -26.104 2.819 -12.707 69 2HE LYS 8 HE1 LYS 8 -25.657 4.518 -12.801 70 1HZ LYS 8 HZ2 LYS 8 -26.689 4.528 -15.068 71 2HZ LYS 8 HZ1 LYS 8 -27.303 2.969 -14.715 72 3HZ LYS 8 HZ3 LYS 8 -27.767 4.296 -13.764 73 H HIS 9 HN HIS 9 -23.008 1.839 -10.071 74 HA HIS 9 HA HIS 9 -24.475 -0.674 -10.301 75 1HB HIS 9 HB2 HIS 9 -25.169 -0.198 -7.957 76 2HB HIS 9 HB1 HIS 9 -23.444 -0.363 -8.196 77 HD1 HIS 9 HD1 HIS 9 -24.237 0.974 -5.700 78 HD2 HIS 9 HD2 HIS 9 -23.738 3.135 -9.199 79 HE1 HIS 9 HE1 HIS 9 -23.751 3.319 -4.962 80 H GLU 10 HN GLU 10 -26.337 -0.724 -11.285 81 HA GLU 10 HA GLU 10 -28.017 1.641 -11.609 82 1HB GLU 10 HB2 GLU 10 -27.571 -0.107 -13.420 83 2HB GLU 10 HB1 GLU 10 -28.613 -1.188 -12.503 84 1HG GLU 10 HG2 GLU 10 -30.084 -0.240 -14.061 85 2HG GLU 10 HG1 GLU 10 -30.359 0.730 -12.618 86 H TRP 11 HN TRP 11 -28.108 -1.516 -10.037 87 HA TRP 11 HA TRP 11 -29.948 -0.562 -8.013 88 1HB TRP 11 HB2 TRP 11 -31.501 -1.258 -9.784 89 2HB TRP 11 HB1 TRP 11 -30.707 -2.822 -9.885 90 HD1 TRP 11 HD1 TRP 11 -32.453 -0.784 -7.018 91 HE1 TRP 11 HE1 TRP 11 -33.862 -2.427 -5.670 92 HE3 TRP 11 HE3 TRP 11 -31.371 -5.133 -9.483 93 HZ2 TRP 11 HZ2 TRP 11 -34.461 -5.152 -5.611 94 HZ3 TRP 11 HZ3 TRP 11 -32.427 -7.226 -8.724 95 HH2 TRP 11 HH2 TRP 11 -33.941 -7.242 -6.808 96 H GLU 12 HN GLU 12 -29.496 -1.521 -6.130 97 HA GLU 12 HA GLU 12 -28.619 -4.211 -5.848 98 1HB GLU 12 HB2 GLU 12 -26.378 -3.624 -4.793 99 2HB GLU 12 HB1 GLU 12 -26.454 -3.484 -6.544 100 1HG GLU 12 HG2 GLU 12 -26.553 -1.109 -6.450 101 2HG GLU 12 HG1 GLU 12 -26.872 -1.112 -4.716 102 H ALA 13 HN ALA 13 -30.722 -2.698 -4.838 103 HA ALA 13 HA ALA 13 -30.428 -3.103 -1.995 104 1HB ALA 13 HB2 ALA 13 -29.467 -0.837 -2.204 105 2HB ALA 13 HB1 ALA 13 -30.924 -0.294 -3.039 106 3HB ALA 13 HB3 ALA 13 -31.012 -0.791 -1.351 107 H HIS 14 HN HIS 14 -32.378 -3.663 -1.165 108 HA HIS 14 HA HIS 14 -34.637 -3.954 -2.902 109 1HB HIS 14 HB2 HIS 14 -35.775 -4.539 -0.584 110 2HB HIS 14 HB1 HIS 14 -34.669 -5.649 -1.368 111 HD1 HIS 14 HD1 HIS 14 -32.153 -5.611 -0.399 112 HD2 HIS 14 HD2 HIS 14 -35.042 -3.829 1.978 113 HE1 HIS 14 HE1 HIS 14 -31.117 -5.447 1.875 114 H ASN 15 HN ASN 15 -35.054 -1.844 -3.598 115 HA ASN 15 HA ASN 15 -37.047 -0.404 -2.140 116 1HB ASN 15 HB2 ASN 15 -35.045 0.418 -0.930 117 2HB ASN 15 HB1 ASN 15 -34.327 0.925 -2.451 118 1HD2 ASN 15 HD22 ASN 15 -35.714 4.094 -2.061 119 2HD2 ASN 15 HD21 ASN 15 -34.358 3.082 -2.460 120 H LYS 16 HN LYS 16 -34.752 1.286 -4.175 121 HA LYS 16 HA LYS 16 -35.924 0.663 -6.702 122 1HB LYS 16 HB2 LYS 16 -36.661 3.127 -7.081 123 2HB LYS 16 HB1 LYS 16 -37.753 2.027 -6.252 124 1HG LYS 16 HG2 LYS 16 -37.376 3.007 -4.163 125 2HG LYS 16 HG1 LYS 16 -35.860 3.739 -4.672 126 1HD LYS 16 HD2 LYS 16 -36.892 5.536 -5.648 127 2HD LYS 16 HD1 LYS 16 -38.303 4.597 -6.134 128 1HE LYS 16 HE2 LYS 16 -37.746 5.306 -3.248 129 2HE LYS 16 HE1 LYS 16 -38.654 6.368 -4.317 130 1HZ LYS 16 HZ1 LYS 16 -39.505 3.586 -4.229 131 2HZ LYS 16 HZ3 LYS 16 -39.790 4.514 -2.822 132 3HZ LYS 16 HZ2 LYS 16 -40.433 5.010 -4.328 133 H LYS 17 HN LYS 17 -34.045 0.516 -7.711 134 HA LYS 17 HA LYS 17 -32.048 1.058 -8.683 135 1HB LYS 17 HB2 LYS 17 -32.521 3.918 -7.818 136 2HB LYS 17 HB1 LYS 17 -31.478 3.337 -9.111 137 1HG LYS 17 HG2 LYS 17 -33.904 2.266 -9.836 138 2HG LYS 17 HG1 LYS 17 -34.391 3.787 -9.098 139 1HD LYS 17 HD2 LYS 17 -34.068 4.417 -11.306 140 2HD LYS 17 HD1 LYS 17 -32.516 4.830 -10.583 141 1HE LYS 17 HE2 LYS 17 -32.114 3.691 -12.685 142 2HE LYS 17 HE1 LYS 17 -31.619 2.631 -11.372 143 1HZ LYS 17 HZ1 LYS 17 -34.320 2.426 -12.530 144 2HZ LYS 17 HZ3 LYS 17 -32.991 1.662 -13.271 145 3HZ LYS 17 HZ2 LYS 17 -33.423 1.257 -11.675 146 H ALA 18 HN ALA 18 -29.906 2.446 -8.059 147 HA ALA 18 HA ALA 18 -29.062 1.298 -5.518 148 1HB ALA 18 HB3 ALA 18 -27.752 1.179 -7.693 149 2HB ALA 18 HB2 ALA 18 -27.382 2.888 -7.461 150 3HB ALA 18 HB1 ALA 18 -26.844 1.698 -6.273 151 H SER 19 HN SER 19 -27.053 3.032 -4.769 152 HA SER 19 HA SER 19 -28.477 4.999 -3.245 153 1HB SER 19 HB2 SER 19 -25.664 5.494 -3.128 154 2HB SER 19 HB1 SER 19 -26.693 4.743 -1.914 155 HG SER 19 HG SER 19 -24.829 3.464 -2.775 156 H SER 20 HN SER 20 -26.432 5.051 -6.112 157 HA SER 20 HA SER 20 -27.458 7.569 -6.977 158 1HB SER 20 HB2 SER 20 -25.039 8.578 -7.062 159 2HB SER 20 HB1 SER 20 -25.980 8.696 -5.580 160 HG SER 20 HG SER 20 -23.729 7.121 -6.158 161 H ARG 21 HN ARG 21 -26.223 8.311 -8.980 162 HA ARG 21 HA ARG 21 -25.758 5.985 -10.720 163 1HB ARG 21 HB2 ARG 21 -27.308 7.978 -11.258 164 2HB ARG 21 HB1 ARG 21 -25.834 8.898 -11.536 165 1HG ARG 21 HG2 ARG 21 -25.205 6.917 -13.117 166 2HG ARG 21 HG1 ARG 21 -26.931 6.562 -13.067 167 1HD ARG 21 HD2 ARG 21 -25.747 9.236 -13.845 168 2HD ARG 21 HD1 ARG 21 -26.284 8.007 -14.988 169 HE ARG 21 HE ARG 21 -28.162 9.176 -13.003 170 1HH1 ARG 21 HH11 ARG 21 -29.504 7.289 -14.761 171 2HH1 ARG 21 HH12 ARG 21 -30.020 8.248 -16.121 172 1HH2 ARG 21 HH21 ARG 21 -27.811 10.907 -15.438 173 2HH2 ARG 21 HH22 ARG 21 -29.056 10.313 -16.512 174 H SER 22 HN SER 22 -23.754 5.982 -9.066 175 HA SER 22 HA SER 22 -21.556 7.704 -9.814 176 1HB SER 22 HB2 SER 22 -21.424 5.242 -8.078 177 2HB SER 22 HB1 SER 22 -20.355 6.643 -8.066 178 HG SER 22 HG SER 22 -21.979 6.575 -6.345 179 H TRP 23 HN TRP 23 -19.563 7.037 -10.622 180 HA TRP 23 HA TRP 23 -19.425 4.477 -12.114 181 1HB TRP 23 HB2 TRP 23 -19.168 7.279 -13.121 182 2HB TRP 23 HB1 TRP 23 -17.970 6.136 -13.709 183 HD1 TRP 23 HD1 TRP 23 -21.463 7.295 -14.413 184 HE1 TRP 23 HE1 TRP 23 -22.546 5.753 -16.149 185 HE3 TRP 23 HE3 TRP 23 -18.076 3.465 -14.429 186 HZ2 TRP 23 HZ2 TRP 23 -22.070 3.264 -17.370 187 HZ3 TRP 23 HZ3 TRP 23 -18.446 1.537 -15.908 188 HH2 TRP 23 HH2 TRP 23 -20.419 1.430 -17.369 189 H HIS 24 HN HIS 24 -18.063 3.551 -10.596 190 HA HIS 24 HA HIS 24 -15.569 4.970 -9.886 191 1HB HIS 24 HB2 HIS 24 -17.122 4.197 -8.053 192 2HB HIS 24 HB1 HIS 24 -16.781 2.539 -8.541 193 HD1 HIS 24 HD1 HIS 24 -15.358 5.374 -6.629 194 HD2 HIS 24 HD2 HIS 24 -14.110 1.675 -7.993 195 HE1 HIS 24 HE1 HIS 24 -13.225 4.919 -5.403 196 H ASN 25 HN ASN 25 -13.587 4.048 -10.189 197 HA ASN 25 HA ASN 25 -13.405 1.846 -12.130 198 1HB ASN 25 HB2 ASN 25 -12.101 4.061 -12.307 199 2HB ASN 25 HB1 ASN 25 -11.106 3.453 -10.987 200 1HD2 ASN 25 HD22 ASN 25 -10.892 1.742 -14.711 201 2HD2 ASN 25 HD21 ASN 25 -12.261 2.697 -14.250 202 H VAL 26 HN VAL 26 -13.600 -0.072 -11.168 203 HA VAL 26 HA VAL 26 -12.056 -0.647 -8.703 204 HB VAL 26 HB VAL 26 -14.635 -0.684 -8.708 205 1HG1 VAL 26 HG12 VAL 26 -14.686 -2.056 -10.870 206 2HG1 VAL 26 HG11 VAL 26 -14.304 -3.442 -9.848 207 3HG1 VAL 26 HG13 VAL 26 -15.786 -2.525 -9.576 208 1HG2 VAL 26 HG21 VAL 26 -12.975 -1.740 -7.028 209 2HG2 VAL 26 HG23 VAL 26 -14.671 -2.219 -6.981 210 3HG2 VAL 26 HG22 VAL 26 -13.479 -3.270 -7.747 211 H TYR 27 HN TYR 27 -11.354 -2.935 -8.502 212 HA TYR 27 HA TYR 27 -10.251 -3.917 -11.054 213 1HB TYR 27 HB2 TYR 27 -8.878 -3.474 -8.901 214 2HB TYR 27 HB1 TYR 27 -9.577 -4.974 -8.316 215 HD1 TYR 27 HD1 TYR 27 -7.707 -3.574 -11.225 216 HD2 TYR 27 HD2 TYR 27 -8.546 -6.995 -8.816 217 HE1 TYR 27 HE1 TYR 27 -5.989 -4.854 -12.443 218 HE2 TYR 27 HE2 TYR 27 -6.814 -8.270 -10.025 219 HH TYR 27 HH TYR 27 -5.341 -8.269 -11.687 220 H CYS 28 HN CYS 28 -10.923 -5.802 -11.943 221 HA CYS 28 HA CYS 28 -12.849 -7.472 -10.414 222 1HB CYS 28 HB2 CYS 28 -12.763 -6.912 -13.389 223 2HB CYS 28 HB1 CYS 28 -13.908 -7.974 -12.575 224 HG CYS 28 HG CYS 28 -13.953 -5.095 -11.543 225 H VAL 29 HN VAL 29 -12.353 -9.548 -10.191 226 HA VAL 29 HA VAL 29 -10.250 -10.766 -11.888 227 HB VAL 29 HB VAL 29 -10.704 -11.017 -8.905 228 1HG1 VAL 29 HG11 VAL 29 -9.150 -12.774 -10.769 229 2HG1 VAL 29 HG13 VAL 29 -8.538 -12.489 -9.142 230 3HG1 VAL 29 HG12 VAL 29 -10.129 -13.205 -9.367 231 1HG2 VAL 29 HG23 VAL 29 -8.776 -9.572 -10.589 232 2HG2 VAL 29 HG22 VAL 29 -9.294 -9.267 -8.932 233 3HG2 VAL 29 HG21 VAL 29 -8.058 -10.482 -9.260 234 H ILE 30 HN ILE 30 -10.650 -12.856 -12.588 235 HA ILE 30 HA ILE 30 -13.302 -14.025 -11.888 236 HB ILE 30 HB ILE 30 -11.695 -14.340 -14.438 237 1HG1 ILE 30 HG12 ILE 30 -14.194 -12.732 -13.851 238 2HG1 ILE 30 HG11 ILE 30 -12.617 -12.096 -14.306 239 1HG2 ILE 30 HG21 ILE 30 -14.286 -15.522 -13.475 240 2HG2 ILE 30 HG23 ILE 30 -13.995 -15.284 -15.195 241 3HG2 ILE 30 HG22 ILE 30 -12.917 -16.313 -14.259 242 1HD1 ILE 30 HD13 ILE 30 -12.913 -13.564 -16.441 243 2HD1 ILE 30 HD12 ILE 30 -14.624 -13.548 -16.000 244 3HD1 ILE 30 HD11 ILE 30 -13.782 -12.034 -16.325 245 H ASN 31 HN ASN 31 -13.118 -15.802 -10.639 246 HA ASN 31 HA ASN 31 -10.886 -17.673 -11.102 247 1HB ASN 31 HB2 ASN 31 -10.200 -16.105 -9.315 248 2HB ASN 31 HB1 ASN 31 -11.618 -16.567 -8.379 249 1HD2 ASN 31 HD22 ASN 31 -8.390 -19.077 -8.637 250 2HD2 ASN 31 HD21 ASN 31 -8.573 -17.734 -9.725 251 H ASN 32 HN ASN 32 -12.164 -19.247 -11.875 252 HA ASN 32 HA ASN 32 -13.564 -21.047 -11.935 253 1HB ASN 32 HB2 ASN 32 -12.965 -20.925 -8.974 254 2HB ASN 32 HB1 ASN 32 -13.838 -22.253 -9.729 255 1HD2 ASN 32 HD22 ASN 32 -9.800 -21.944 -10.149 256 2HD2 ASN 32 HD21 ASN 32 -10.744 -20.729 -9.344 257 H GLN 33 HN GLN 33 -15.375 -19.740 -12.662 258 HA GLN 33 HA GLN 33 -17.599 -19.277 -12.717 259 1HB GLN 33 HB2 GLN 33 -17.766 -20.936 -10.204 260 2HB GLN 33 HB1 GLN 33 -19.113 -20.468 -11.225 261 1HG GLN 33 HG2 GLN 33 -18.788 -22.264 -12.519 262 2HG GLN 33 HG1 GLN 33 -17.185 -21.674 -12.934 263 1HE2 GLN 33 HE22 GLN 33 -16.306 -24.875 -11.609 264 2HE2 GLN 33 HE21 GLN 33 -16.776 -24.032 -13.062 265 H GLU 34 HN GLU 34 -15.761 -18.240 -10.036 266 HA GLU 34 HA GLU 34 -17.860 -16.315 -9.231 267 1HB GLU 34 HB2 GLU 34 -15.555 -17.454 -7.639 268 2HB GLU 34 HB1 GLU 34 -16.625 -16.173 -7.074 269 1HG GLU 34 HG2 GLU 34 -18.560 -17.734 -7.357 270 2HG GLU 34 HG1 GLU 34 -17.418 -19.015 -7.767 271 H MET 35 HN MET 35 -17.227 -14.187 -8.808 272 HA MET 35 HA MET 35 -14.607 -13.365 -9.882 273 1HB MET 35 HB2 MET 35 -15.596 -11.447 -10.936 274 2HB MET 35 HB1 MET 35 -16.459 -12.872 -11.494 275 1HG MET 35 HG2 MET 35 -18.223 -12.402 -9.806 276 2HG MET 35 HG1 MET 35 -17.392 -10.911 -9.397 277 1HE MET 35 HE3 MET 35 -16.756 -9.145 -11.079 278 2HE MET 35 HE2 MET 35 -16.581 -9.851 -12.687 279 3HE MET 35 HE1 MET 35 -17.825 -8.636 -12.395 280 H GLY 36 HN GLY 36 -13.575 -11.784 -8.729 281 1HA GLY 36 HA2 GLY 36 -14.875 -10.913 -6.208 282 2HA GLY 36 HA1 GLY 36 -13.177 -11.352 -6.327 283 H PHE 37 HN PHE 37 -15.008 -8.799 -5.906 284 HA PHE 37 HA PHE 37 -13.664 -6.952 -7.763 285 1HB PHE 37 HB2 PHE 37 -15.834 -6.496 -5.706 286 2HB PHE 37 HB1 PHE 37 -15.144 -5.246 -6.733 287 HD1 PHE 37 HD1 PHE 37 -15.380 -5.485 -9.261 288 HD2 PHE 37 HD2 PHE 37 -17.595 -7.849 -6.474 289 HE1 PHE 37 HE1 PHE 37 -17.009 -6.040 -11.027 290 HE2 PHE 37 HE2 PHE 37 -19.223 -8.400 -8.242 291 HZ PHE 37 HZ PHE 37 -18.922 -7.486 -10.526 292 H TYR 38 HN TYR 38 -11.914 -5.875 -7.155 293 HA TYR 38 HA TYR 38 -11.322 -5.502 -4.276 294 1HB TYR 38 HB2 TYR 38 -9.350 -6.438 -6.373 295 2HB TYR 38 HB1 TYR 38 -8.980 -6.085 -4.691 296 HD1 TYR 38 HD1 TYR 38 -9.959 -7.507 -2.892 297 HD2 TYR 38 HD2 TYR 38 -10.245 -8.545 -7.017 298 HE1 TYR 38 HE1 TYR 38 -10.471 -9.833 -2.264 299 HE2 TYR 38 HE2 TYR 38 -10.751 -10.873 -6.395 300 HH TYR 38 HH TYR 38 -10.220 -12.377 -4.310 301 H LYS 39 HN LYS 39 -9.231 -4.068 -4.151 302 HA LYS 39 HA LYS 39 -9.894 -1.528 -5.331 303 1HB LYS 39 HB2 LYS 39 -8.930 -1.801 -3.038 304 2HB LYS 39 HB1 LYS 39 -7.414 -2.309 -3.771 305 1HG LYS 39 HG2 LYS 39 -6.936 -0.185 -4.577 306 2HG LYS 39 HG1 LYS 39 -8.628 0.303 -4.605 307 1HD LYS 39 HD2 LYS 39 -7.595 1.507 -2.822 308 2HD LYS 39 HD1 LYS 39 -8.583 0.251 -2.080 309 1HE LYS 39 HE2 LYS 39 -6.372 -1.151 -2.112 310 2HE LYS 39 HE1 LYS 39 -5.591 0.416 -2.301 311 1HZ LYS 39 HZ2 LYS 39 -6.782 1.152 -0.284 312 2HZ LYS 39 HZ1 LYS 39 -7.359 -0.440 -0.082 313 3HZ LYS 39 HZ3 LYS 39 -5.690 -0.129 0.004 314 H ASP 40 HN ASP 40 -7.338 -3.926 -5.771 315 HA ASP 40 HA ASP 40 -6.873 -3.208 -8.502 316 1HB ASP 40 HB2 ASP 40 -4.681 -2.337 -8.395 317 2HB ASP 40 HB1 ASP 40 -5.582 -1.424 -7.190 318 H ALA 41 HN ALA 41 -4.313 -4.273 -8.767 319 HA ALA 41 HA ALA 41 -4.805 -7.072 -8.760 320 1HB ALA 41 HB1 ALA 41 -3.318 -5.801 -10.366 321 2HB ALA 41 HB3 ALA 41 -2.116 -5.723 -9.073 322 3HB ALA 41 HB2 ALA 41 -2.622 -7.288 -9.715 323 H LYS 42 HN LYS 42 -2.926 -4.944 -6.612 324 HA LYS 42 HA LYS 42 -1.663 -6.980 -5.070 325 1HB LYS 42 HB2 LYS 42 -2.411 -4.151 -4.286 326 2HB LYS 42 HB1 LYS 42 -1.311 -5.200 -3.400 327 1HG LYS 42 HG2 LYS 42 0.086 -5.330 -5.505 328 2HG LYS 42 HG1 LYS 42 -0.923 -4.044 -6.158 329 1HD LYS 42 HD2 LYS 42 0.837 -3.915 -3.699 330 2HD LYS 42 HD1 LYS 42 1.068 -3.050 -5.215 331 1HE LYS 42 HE2 LYS 42 -1.203 -2.633 -3.249 332 2HE LYS 42 HE1 LYS 42 0.167 -1.558 -3.500 333 1HZ LYS 42 HZ3 LYS 42 -0.567 -1.218 -5.786 334 2HZ LYS 42 HZ2 LYS 42 -1.923 -2.217 -5.516 335 3HZ LYS 42 HZ1 LYS 42 -1.763 -0.744 -4.668 336 H SER 43 HN SER 43 -4.602 -5.054 -4.500 337 HA SER 43 HA SER 43 -5.394 -6.236 -2.064 338 1HB SER 43 HB2 SER 43 -6.291 -4.116 -2.840 339 2HB SER 43 HB1 SER 43 -7.013 -4.896 -4.243 340 HG SER 43 HG SER 43 -7.803 -6.061 -1.897 341 H ALA 44 HN ALA 44 -5.898 -7.239 -5.401 342 HA ALA 44 HA ALA 44 -7.859 -9.269 -4.821 343 1HB ALA 44 HB3 ALA 44 -7.757 -8.147 -7.004 344 2HB ALA 44 HB2 ALA 44 -6.161 -8.847 -7.290 345 3HB ALA 44 HB1 ALA 44 -7.580 -9.895 -7.164 346 H ALA 45 HN ALA 45 -4.370 -9.255 -5.490 347 HA ALA 45 HA ALA 45 -3.996 -12.067 -5.501 348 1HB ALA 45 HB3 ALA 45 -2.063 -9.805 -4.957 349 2HB ALA 45 HB2 ALA 45 -1.586 -11.497 -5.146 350 3HB ALA 45 HB1 ALA 45 -2.335 -10.636 -6.490 351 H SER 46 HN SER 46 -3.553 -9.652 -2.916 352 HA SER 46 HA SER 46 -2.735 -11.554 -0.936 353 1HB SER 46 HB2 SER 46 -3.860 -8.771 -0.543 354 2HB SER 46 HB1 SER 46 -2.918 -9.702 0.621 355 HG SER 46 HG SER 46 -1.167 -9.669 -0.918 356 H GLY 47 HN GLY 47 -5.846 -10.267 -1.956 357 1HA GLY 47 HA2 GLY 47 -7.956 -11.204 -1.601 358 2HA GLY 47 HA1 GLY 47 -7.254 -12.303 -0.417 359 H ILE 48 HN ILE 48 -7.947 -8.835 -0.895 360 HA ILE 48 HA ILE 48 -8.603 -8.598 1.991 361 HB ILE 48 HB ILE 48 -7.515 -6.516 0.083 362 1HG1 ILE 48 HG12 ILE 48 -6.209 -7.755 2.516 363 2HG1 ILE 48 HG11 ILE 48 -5.874 -8.233 0.856 364 1HG2 ILE 48 HG21 ILE 48 -9.043 -5.506 1.704 365 2HG2 ILE 48 HG23 ILE 48 -8.165 -6.278 3.027 366 3HG2 ILE 48 HG22 ILE 48 -7.377 -5.044 2.045 367 1HD1 ILE 48 HD12 ILE 48 -5.608 -5.354 1.647 368 2HD1 ILE 48 HD11 ILE 48 -4.321 -6.497 2.032 369 3HD1 ILE 48 HD13 ILE 48 -4.796 -6.240 0.353 370 HA PRO 49 HA PRO 49 -12.700 -7.722 0.408 371 1HB PRO 49 HB2 PRO 49 -13.839 -6.843 2.723 372 2HB PRO 49 HB1 PRO 49 -13.542 -8.549 2.362 373 1HG PRO 49 HG2 PRO 49 -11.984 -6.682 4.092 374 2HG PRO 49 HG1 PRO 49 -12.356 -8.398 4.327 375 1HD PRO 49 HD2 PRO 49 -9.945 -7.482 3.419 376 2HD PRO 49 HD1 PRO 49 -10.588 -9.092 3.044 377 H TYR 50 HN TYR 50 -12.807 -6.010 -0.924 378 HA TYR 50 HA TYR 50 -11.778 -3.433 -0.351 379 1HB TYR 50 HB2 TYR 50 -11.971 -4.390 -2.617 380 2HB TYR 50 HB1 TYR 50 -13.717 -4.253 -2.520 381 HD1 TYR 50 HD1 TYR 50 -10.965 -1.908 -1.583 382 HD2 TYR 50 HD2 TYR 50 -14.407 -2.605 -4.023 383 HE1 TYR 50 HE1 TYR 50 -10.820 0.389 -2.456 384 HE2 TYR 50 HE2 TYR 50 -14.251 -0.309 -4.885 385 HH TYR 50 HH TYR 50 -12.861 2.064 -3.564 386 H HIS 51 HN HIS 51 -15.212 -4.298 -0.979 387 HA HIS 51 HA HIS 51 -16.024 -2.487 1.172 388 1HB HIS 51 HB2 HIS 51 -17.575 -1.236 -0.199 389 2HB HIS 51 HB1 HIS 51 -15.951 -1.078 -0.842 390 HD1 HIS 51 HD1 HIS 51 -18.875 -0.872 -2.295 391 HD2 HIS 51 HD2 HIS 51 -16.013 -3.824 -2.759 392 HE1 HIS 51 HE1 HIS 51 -19.341 -1.878 -4.537 393 H SER 52 HN SER 52 -18.800 -2.690 -0.233 394 HA SER 52 HA SER 52 -19.810 -4.788 1.397 395 1HB SER 52 HB2 SER 52 -21.946 -4.300 0.008 396 2HB SER 52 HB1 SER 52 -21.301 -3.027 1.039 397 HG SER 52 HG SER 52 -21.872 -2.651 -1.390 398 H GLU 53 HN GLU 53 -20.514 -4.550 -2.053 399 HA GLU 53 HA GLU 53 -20.680 -7.420 -2.320 400 1HB GLU 53 HB2 GLU 53 -20.822 -5.349 -4.517 401 2HB GLU 53 HB1 GLU 53 -21.446 -6.995 -4.556 402 1HG GLU 53 HG2 GLU 53 -22.448 -4.744 -2.790 403 2HG GLU 53 HG1 GLU 53 -23.261 -5.390 -4.211 404 H VAL 54 HN VAL 54 -18.479 -7.936 -1.764 405 HA VAL 54 HA VAL 54 -16.429 -7.268 -3.752 406 HB VAL 54 HB VAL 54 -16.356 -8.361 -0.966 407 1HG1 VAL 54 HG13 VAL 54 -14.212 -8.743 -3.040 408 2HG1 VAL 54 HG12 VAL 54 -13.855 -8.678 -1.317 409 3HG1 VAL 54 HG11 VAL 54 -14.907 -9.944 -1.947 410 1HG2 VAL 54 HG22 VAL 54 -16.213 -5.912 -1.576 411 2HG2 VAL 54 HG21 VAL 54 -14.934 -6.552 -0.544 412 3HG2 VAL 54 HG23 VAL 54 -14.625 -6.283 -2.257 413 HA PRO 55 HA PRO 55 -16.669 -11.942 -4.434 414 1HB PRO 55 HB2 PRO 55 -17.994 -13.576 -2.714 415 2HB PRO 55 HB1 PRO 55 -16.351 -12.990 -2.430 416 1HG PRO 55 HG2 PRO 55 -18.810 -12.305 -1.034 417 2HG PRO 55 HG1 PRO 55 -17.136 -11.967 -0.577 418 1HD PRO 55 HD2 PRO 55 -19.087 -10.212 -1.874 419 2HD PRO 55 HD1 PRO 55 -17.538 -9.812 -1.123 420 H VAL 56 HN VAL 56 -17.894 -12.368 -6.215 421 HA VAL 56 HA VAL 56 -20.823 -12.668 -5.934 422 HB VAL 56 HB VAL 56 -19.395 -11.053 -8.060 423 1HG1 VAL 56 HG11 VAL 56 -22.229 -12.033 -7.884 424 2HG1 VAL 56 HG13 VAL 56 -21.839 -10.537 -8.729 425 3HG1 VAL 56 HG12 VAL 56 -21.126 -12.060 -9.261 426 1HG2 VAL 56 HG23 VAL 56 -21.193 -10.320 -5.765 427 2HG2 VAL 56 HG22 VAL 56 -19.602 -9.675 -6.170 428 3HG2 VAL 56 HG21 VAL 56 -20.998 -9.260 -7.160 429 H SER 57 HN SER 57 -21.716 -14.251 -7.231 430 HA SER 57 HA SER 57 -19.835 -16.091 -8.530 431 1HB SER 57 HB2 SER 57 -22.632 -16.382 -7.498 432 2HB SER 57 HB1 SER 57 -21.789 -17.629 -8.379 433 HG SER 57 HG SER 57 -20.742 -18.133 -6.622 434 H LEU 58 HN LEU 58 -19.871 -16.375 -10.698 435 HA LEU 58 HA LEU 58 -21.771 -14.845 -12.318 436 1HB LEU 58 HB2 LEU 58 -19.267 -16.401 -12.992 437 2HB LEU 58 HB1 LEU 58 -20.303 -15.676 -14.216 438 HG LEU 58 HG LEU 58 -19.080 -14.105 -11.947 439 1HD1 LEU 58 HD21 LEU 58 -17.277 -15.056 -13.301 440 2HD1 LEU 58 HD23 LEU 58 -18.035 -14.435 -14.767 441 3HD1 LEU 58 HD22 LEU 58 -17.402 -13.317 -13.558 442 1HD2 LEU 58 HD11 LEU 58 -20.665 -13.429 -14.386 443 2HD2 LEU 58 HD13 LEU 58 -20.794 -12.795 -12.748 444 3HD2 LEU 58 HD12 LEU 58 -19.472 -12.273 -13.791 445 H LYS 59 HN LYS 59 -23.271 -16.573 -11.144 446 HA LYS 59 HA LYS 59 -23.514 -19.062 -12.691 447 1HB LYS 59 HB2 LYS 59 -23.757 -19.097 -10.207 448 2HB LYS 59 HB1 LYS 59 -25.171 -18.062 -10.352 449 1HG LYS 59 HG2 LYS 59 -26.498 -19.749 -11.157 450 2HG LYS 59 HG1 LYS 59 -25.165 -20.546 -11.983 451 1HD LYS 59 HD2 LYS 59 -25.398 -20.520 -8.972 452 2HD LYS 59 HD1 LYS 59 -26.177 -21.757 -9.955 453 1HE LYS 59 HE2 LYS 59 -23.209 -21.151 -9.913 454 2HE LYS 59 HE1 LYS 59 -23.987 -22.507 -9.103 455 1HZ LYS 59 HZ2 LYS 59 -24.024 -22.040 -12.044 456 2HZ LYS 59 HZ1 LYS 59 -22.970 -23.108 -11.237 457 3HZ LYS 59 HZ3 LYS 59 -24.650 -23.393 -11.216 458 H GLU 60 HN GLU 60 -24.271 -18.501 -14.660 459 HA GLU 60 HA GLU 60 -25.719 -17.891 -16.312 460 1HB GLU 60 HB2 GLU 60 -27.812 -17.755 -14.119 461 2HB GLU 60 HB1 GLU 60 -28.110 -17.847 -15.852 462 1HG GLU 60 HG2 GLU 60 -26.561 -20.042 -15.563 463 2HG GLU 60 HG1 GLU 60 -27.278 -19.983 -13.953 464 H ALA 61 HN ALA 61 -24.099 -15.898 -15.415 465 HA ALA 61 HA ALA 61 -25.495 -13.504 -14.685 466 1HB ALA 61 HB3 ALA 61 -22.992 -14.009 -14.360 467 2HB ALA 61 HB2 ALA 61 -22.801 -13.578 -16.061 468 3HB ALA 61 HB1 ALA 61 -23.424 -12.392 -14.912 469 H ILE 62 HN ILE 62 -26.820 -12.398 -15.987 470 HA ILE 62 HA ILE 62 -26.752 -12.821 -18.873 471 HB ILE 62 HB ILE 62 -28.545 -10.948 -17.318 472 1HG1 ILE 62 HG12 ILE 62 -29.213 -13.758 -18.200 473 2HG1 ILE 62 HG11 ILE 62 -28.664 -13.378 -16.571 474 1HG2 ILE 62 HG21 ILE 62 -28.169 -11.424 -20.101 475 2HG2 ILE 62 HG23 ILE 62 -29.742 -12.088 -19.643 476 3HG2 ILE 62 HG22 ILE 62 -29.368 -10.394 -19.313 477 1HD1 ILE 62 HD13 ILE 62 -31.075 -12.104 -17.876 478 2HD1 ILE 62 HD12 ILE 62 -31.152 -13.501 -16.803 479 3HD1 ILE 62 HD11 ILE 62 -30.566 -11.951 -16.193 480 H CYS 63 HN CYS 63 -25.721 -11.575 -20.252 481 HA CYS 63 HA CYS 63 -24.774 -8.907 -19.379 482 1HB CYS 63 HB2 CYS 63 -23.037 -10.744 -19.517 483 2HB CYS 63 HB1 CYS 63 -23.336 -10.790 -21.250 484 HG CYS 63 HG CYS 63 -22.474 -8.073 -20.057 485 H GLU 64 HN GLU 64 -24.708 -7.287 -20.928 486 HA GLU 64 HA GLU 64 -25.837 -7.787 -23.593 487 1HB GLU 64 HB2 GLU 64 -27.427 -6.788 -21.502 488 2HB GLU 64 HB1 GLU 64 -26.975 -5.360 -22.425 489 1HG GLU 64 HG2 GLU 64 -28.148 -7.866 -23.660 490 2HG GLU 64 HG1 GLU 64 -29.108 -6.468 -23.173 491 H VAL 65 HN VAL 65 -25.335 -6.088 -25.083 492 HA VAL 65 HA VAL 65 -22.886 -4.618 -24.376 493 HB VAL 65 HB VAL 65 -24.056 -4.613 -27.130 494 1HG1 VAL 65 HG12 VAL 65 -21.860 -3.483 -26.299 495 2HG1 VAL 65 HG11 VAL 65 -21.201 -5.117 -26.381 496 3HG1 VAL 65 HG13 VAL 65 -21.856 -4.355 -27.831 497 1HG2 VAL 65 HG22 VAL 65 -22.820 -7.010 -25.788 498 2HG2 VAL 65 HG21 VAL 65 -24.338 -6.919 -26.686 499 3HG2 VAL 65 HG23 VAL 65 -22.799 -6.790 -27.540 500 H ALA 66 HN ALA 66 -22.732 -2.413 -24.409 501 HA ALA 66 HA ALA 66 -25.143 -0.813 -25.060 502 1HB ALA 66 HB2 ALA 66 -23.573 -0.899 -22.507 503 2HB ALA 66 HB1 ALA 66 -24.261 0.638 -23.035 504 3HB ALA 66 HB3 ALA 66 -25.311 -0.750 -22.755 505 H LEU 67 HN LEU 67 -24.257 -0.174 -27.004 506 HA LEU 67 HA LEU 67 -21.713 1.339 -26.946 507 1HB LEU 67 HB2 LEU 67 -23.150 -0.261 -28.987 508 2HB LEU 67 HB1 LEU 67 -22.388 1.208 -29.573 509 HG LEU 67 HG LEU 67 -20.277 0.461 -28.413 510 1HD1 LEU 67 HD11 LEU 67 -22.025 -1.904 -27.918 511 2HD1 LEU 67 HD13 LEU 67 -20.307 -2.162 -28.208 512 3HD1 LEU 67 HD12 LEU 67 -20.829 -1.147 -26.862 513 1HD2 LEU 67 HD23 LEU 67 -21.471 -1.057 -30.715 514 2HD2 LEU 67 HD22 LEU 67 -20.267 0.236 -30.744 515 3HD2 LEU 67 HD21 LEU 67 -19.828 -1.368 -30.158 516 H ASP 68 HN ASP 68 -24.903 1.920 -26.513 517 HA ASP 68 HA ASP 68 -24.795 4.611 -27.748 518 1HB ASP 68 HB2 ASP 68 -27.130 4.532 -28.176 519 2HB ASP 68 HB1 ASP 68 -26.475 3.010 -28.765 520 H TYR 69 HN TYR 69 -24.083 3.492 -24.974 521 HA TYR 69 HA TYR 69 -25.964 4.699 -23.139 522 1HB TYR 69 HB2 TYR 69 -24.661 2.712 -22.523 523 2HB TYR 69 HB1 TYR 69 -23.163 3.613 -22.724 524 HD1 TYR 69 HD1 TYR 69 -26.373 3.746 -20.793 525 HD2 TYR 69 HD2 TYR 69 -22.182 4.575 -20.860 526 HE1 TYR 69 HE1 TYR 69 -26.467 4.467 -18.431 527 HE2 TYR 69 HE2 TYR 69 -22.287 5.296 -18.510 528 HH TYR 69 HH TYR 69 -25.061 6.064 -16.931 529 H LYS 70 HN LYS 70 -25.401 6.628 -24.899 530 HA LYS 70 HA LYS 70 -24.907 8.844 -25.062 531 1HB LYS 70 HB2 LYS 70 -23.842 8.626 -22.233 532 2HB LYS 70 HB1 LYS 70 -24.167 10.115 -23.108 533 1HG LYS 70 HG2 LYS 70 -26.426 8.206 -22.975 534 2HG LYS 70 HG1 LYS 70 -25.947 8.927 -21.443 535 1HD LYS 70 HD2 LYS 70 -26.241 11.158 -22.325 536 2HD LYS 70 HD1 LYS 70 -26.548 10.519 -23.939 537 1HE LYS 70 HE2 LYS 70 -28.271 9.906 -21.524 538 2HE LYS 70 HE1 LYS 70 -28.608 11.208 -22.660 539 1HZ LYS 70 HZ1 LYS 70 -28.612 9.461 -24.438 540 2HZ LYS 70 HZ3 LYS 70 -28.579 8.290 -23.201 541 3HZ LYS 70 HZ2 LYS 70 -29.896 9.370 -23.320 542 H LYS 71 HN LYS 71 -22.228 7.237 -23.327 543 HA LYS 71 HA LYS 71 -20.240 8.697 -24.894 544 1HB LYS 71 HB2 LYS 71 -19.821 6.554 -22.793 545 2HB LYS 71 HB1 LYS 71 -18.616 7.673 -23.427 546 1HG LYS 71 HG2 LYS 71 -20.581 9.383 -22.536 547 2HG LYS 71 HG1 LYS 71 -20.664 8.082 -21.352 548 1HD LYS 71 HD2 LYS 71 -18.105 9.505 -22.137 549 2HD LYS 71 HD1 LYS 71 -19.089 9.949 -20.745 550 1HE LYS 71 HE2 LYS 71 -18.228 7.096 -21.008 551 2HE LYS 71 HE1 LYS 71 -17.023 8.285 -20.529 552 1HZ LYS 71 HZ1 LYS 71 -19.276 8.805 -19.003 553 2HZ LYS 71 HZ3 LYS 71 -19.071 7.110 -18.971 554 3HZ LYS 71 HZ2 LYS 71 -17.796 8.133 -18.485 555 H LYS 72 HN LYS 72 -18.507 7.521 -25.974 556 HA LYS 72 HA LYS 72 -19.343 4.906 -27.111 557 1HB LYS 72 HB2 LYS 72 -18.068 5.766 -29.210 558 2HB LYS 72 HB1 LYS 72 -19.713 6.316 -28.918 559 1HG LYS 72 HG2 LYS 72 -18.899 8.412 -28.005 560 2HG LYS 72 HG1 LYS 72 -17.230 7.860 -28.135 561 1HD LYS 72 HD2 LYS 72 -17.593 7.655 -30.622 562 2HD LYS 72 HD1 LYS 72 -19.166 8.417 -30.401 563 1HE LYS 72 HE2 LYS 72 -17.811 10.222 -30.979 564 2HE LYS 72 HE1 LYS 72 -17.825 10.307 -29.220 565 1HZ LYS 72 HZ1 LYS 72 -15.731 8.648 -29.808 566 2HZ LYS 72 HZ3 LYS 72 -15.638 9.867 -30.995 567 3HZ LYS 72 HZ2 LYS 72 -15.629 10.287 -29.341 568 H LYS 73 HN LYS 73 -18.027 4.177 -25.283 569 HA LYS 73 HA LYS 73 -15.132 4.039 -25.962 570 1HB LYS 73 HB2 LYS 73 -16.449 4.323 -23.258 571 2HB LYS 73 HB1 LYS 73 -14.794 3.759 -23.455 572 1HG LYS 73 HG2 LYS 73 -14.025 5.815 -24.158 573 2HG LYS 73 HG1 LYS 73 -15.584 6.294 -24.821 574 1HD LYS 73 HD2 LYS 73 -16.326 7.138 -22.854 575 2HD LYS 73 HD1 LYS 73 -15.533 5.894 -21.892 576 1HE LYS 73 HE2 LYS 73 -14.089 8.201 -23.217 577 2HE LYS 73 HE1 LYS 73 -14.611 8.191 -21.535 578 1HZ LYS 73 HZ1 LYS 73 -13.216 5.842 -21.853 579 2HZ LYS 73 HZ3 LYS 73 -12.309 7.000 -22.717 580 3HZ LYS 73 HZ2 LYS 73 -12.677 7.262 -21.072 581 H HIS 74 HN HIS 74 -18.031 2.427 -25.401 582 HA HIS 74 HA HIS 74 -18.549 0.218 -25.846 583 1HB HIS 74 HB2 HIS 74 -15.661 -0.440 -25.199 584 2HB HIS 74 HB1 HIS 74 -16.903 -1.627 -25.480 585 HD1 HIS 74 HD1 HIS 74 -14.803 0.848 -27.295 586 HD2 HIS 74 HD2 HIS 74 -17.747 -1.931 -28.163 587 HE1 HIS 74 HE1 HIS 74 -14.782 0.634 -29.789 588 H VAL 75 HN VAL 75 -20.006 0.320 -24.264 589 HA VAL 75 HA VAL 75 -19.191 -0.441 -21.518 590 HB VAL 75 HB VAL 75 -21.529 1.197 -22.534 591 1HG1 VAL 75 HG13 VAL 75 -21.053 0.012 -19.817 592 2HG1 VAL 75 HG12 VAL 75 -21.954 1.514 -20.010 593 3HG1 VAL 75 HG11 VAL 75 -22.532 0.035 -20.776 594 1HG2 VAL 75 HG21 VAL 75 -19.095 2.128 -22.111 595 2HG2 VAL 75 HG23 VAL 75 -20.524 3.050 -21.644 596 3HG2 VAL 75 HG22 VAL 75 -19.640 2.124 -20.432 597 H PHE 76 HN PHE 76 -20.583 -1.978 -20.437 598 HA PHE 76 HA PHE 76 -22.563 -3.395 -22.055 599 1HB PHE 76 HB2 PHE 76 -21.562 -5.582 -21.705 600 2HB PHE 76 HB1 PHE 76 -20.465 -4.539 -22.592 601 HD1 PHE 76 HD1 PHE 76 -18.481 -3.554 -21.432 602 HD2 PHE 76 HD2 PHE 76 -20.953 -6.512 -19.607 603 HE1 PHE 76 HE1 PHE 76 -16.713 -4.004 -19.773 604 HE2 PHE 76 HE2 PHE 76 -19.194 -6.967 -17.950 605 HZ PHE 76 HZ PHE 76 -17.014 -5.799 -18.108 606 H LYS 77 HN LYS 77 -24.081 -4.497 -20.858 607 HA LYS 77 HA LYS 77 -24.203 -3.747 -18.026 608 1HB LYS 77 HB2 LYS 77 -26.173 -3.312 -19.427 609 2HB LYS 77 HB1 LYS 77 -26.277 -5.024 -19.825 610 1HG LYS 77 HG2 LYS 77 -26.988 -5.620 -17.696 611 2HG LYS 77 HG1 LYS 77 -26.302 -4.180 -16.949 612 1HD LYS 77 HD2 LYS 77 -28.050 -2.792 -17.860 613 2HD LYS 77 HD1 LYS 77 -28.685 -4.133 -18.814 614 1HE LYS 77 HE2 LYS 77 -29.535 -5.241 -16.928 615 2HE LYS 77 HE1 LYS 77 -28.481 -4.365 -15.822 616 1HZ LYS 77 HZ2 LYS 77 -29.765 -2.345 -16.293 617 2HZ LYS 77 HZ1 LYS 77 -30.818 -3.254 -17.284 618 3HZ LYS 77 HZ3 LYS 77 -30.721 -3.587 -15.614 619 H LEU 78 HN LEU 78 -24.622 -5.248 -16.396 620 HA LEU 78 HA LEU 78 -24.222 -8.100 -16.967 621 1HB LEU 78 HB2 LEU 78 -22.203 -6.410 -15.883 622 2HB LEU 78 HB1 LEU 78 -22.776 -7.421 -14.569 623 HG LEU 78 HG LEU 78 -21.662 -8.293 -17.228 624 1HD1 LEU 78 HD21 LEU 78 -20.735 -8.453 -14.375 625 2HD1 LEU 78 HD23 LEU 78 -20.113 -9.564 -15.597 626 3HD1 LEU 78 HD22 LEU 78 -19.884 -7.825 -15.785 627 1HD2 LEU 78 HD12 LEU 78 -23.474 -9.723 -15.425 628 2HD2 LEU 78 HD11 LEU 78 -23.002 -10.086 -17.090 629 3HD2 LEU 78 HD13 LEU 78 -21.975 -10.594 -15.748 630 H ARG 79 HN ARG 79 -25.811 -9.164 -16.027 631 HA ARG 79 HA ARG 79 -27.126 -8.062 -13.603 632 1HB ARG 79 HB2 ARG 79 -28.438 -8.371 -15.829 633 2HB ARG 79 HB1 ARG 79 -28.361 -10.088 -15.458 634 1HG ARG 79 HG2 ARG 79 -29.490 -9.742 -13.346 635 2HG ARG 79 HG1 ARG 79 -29.474 -8.004 -13.587 636 1HD ARG 79 HD2 ARG 79 -30.703 -8.875 -15.891 637 2HD ARG 79 HD1 ARG 79 -31.278 -10.050 -14.707 638 HE ARG 79 HE ARG 79 -31.553 -7.117 -14.284 639 1HH1 ARG 79 HH11 ARG 79 -32.449 -9.734 -12.558 640 2HH1 ARG 79 HH12 ARG 79 -34.175 -9.550 -12.703 641 1HH2 ARG 79 HH21 ARG 79 -33.974 -7.185 -15.300 642 2HH2 ARG 79 HH22 ARG 79 -35.033 -8.104 -14.271 643 H LEU 80 HN LEU 80 -26.940 -9.217 -11.793 644 HA LEU 80 HA LEU 80 -25.379 -11.604 -11.670 645 1HB LEU 80 HB2 LEU 80 -27.116 -10.250 -9.589 646 2HB LEU 80 HB1 LEU 80 -26.022 -11.589 -9.257 647 HG LEU 80 HG LEU 80 -25.394 -8.745 -9.961 648 1HD1 LEU 80 HD11 LEU 80 -25.449 -9.497 -7.608 649 2HD1 LEU 80 HD13 LEU 80 -24.186 -10.675 -7.970 650 3HD1 LEU 80 HD12 LEU 80 -23.850 -8.948 -8.102 651 1HD2 LEU 80 HD23 LEU 80 -23.600 -11.107 -10.508 652 2HD2 LEU 80 HD22 LEU 80 -24.107 -9.844 -11.632 653 3HD2 LEU 80 HD21 LEU 80 -23.000 -9.460 -10.314 654 H SER 81 HN SER 81 -26.253 -13.517 -10.340 655 HA SER 81 HA SER 81 -27.908 -15.080 -11.822 656 1HB SER 81 HB2 SER 81 -28.288 -16.022 -9.210 657 2HB SER 81 HB1 SER 81 -27.046 -16.509 -10.352 658 HG SER 81 HG SER 81 -25.939 -15.860 -8.565 659 H ASP 82 HN ASP 82 -28.916 -13.121 -9.036 660 HA ASP 82 HA ASP 82 -31.578 -12.773 -10.091 661 1HB ASP 82 HB2 ASP 82 -31.785 -15.084 -9.187 662 2HB ASP 82 HB1 ASP 82 -31.276 -14.500 -7.607 663 H GLY 83 HN GLY 83 -30.331 -10.625 -9.705 664 1HA GLY 83 HA2 GLY 83 -31.501 -9.252 -7.593 665 2HA GLY 83 HA1 GLY 83 -29.907 -9.747 -7.036 666 H ASN 84 HN ASN 84 -28.523 -8.223 -7.157 667 HA ASN 84 HA ASN 84 -28.655 -5.730 -8.127 668 1HB ASN 84 HB2 ASN 84 -26.123 -7.371 -7.972 669 2HB ASN 84 HB1 ASN 84 -26.205 -5.613 -8.029 670 1HD2 ASN 84 HD22 ASN 84 -25.915 -6.077 -4.500 671 2HD2 ASN 84 HD21 ASN 84 -24.994 -5.905 -5.962 672 H GLU 85 HN GLU 85 -28.088 -4.514 -9.816 673 HA GLU 85 HA GLU 85 -27.411 -5.799 -12.405 674 1HB GLU 85 HB2 GLU 85 -29.524 -3.784 -11.688 675 2HB GLU 85 HB1 GLU 85 -28.766 -3.696 -13.278 676 1HG GLU 85 HG2 GLU 85 -29.416 -5.992 -13.746 677 2HG GLU 85 HG1 GLU 85 -30.125 -6.144 -12.136 678 H TYR 86 HN TYR 86 -25.546 -4.972 -13.249 679 HA TYR 86 HA TYR 86 -24.701 -2.235 -12.457 680 1HB TYR 86 HB2 TYR 86 -22.888 -4.645 -12.710 681 2HB TYR 86 HB1 TYR 86 -22.390 -3.008 -12.314 682 HD1 TYR 86 HD1 TYR 86 -22.948 -2.020 -10.118 683 HD2 TYR 86 HD2 TYR 86 -23.798 -6.102 -11.049 684 HE1 TYR 86 HE1 TYR 86 -23.297 -2.499 -7.729 685 HE2 TYR 86 HE2 TYR 86 -24.127 -6.577 -8.665 686 HH TYR 86 HH TYR 86 -23.813 -5.801 -6.562 687 H LEU 87 HN LEU 87 -23.297 -1.184 -13.922 688 HA LEU 87 HA LEU 87 -23.281 -2.218 -16.707 689 1HB LEU 87 HB2 LEU 87 -23.160 0.692 -15.869 690 2HB LEU 87 HB1 LEU 87 -23.243 0.070 -17.506 691 HG LEU 87 HG LEU 87 -25.402 0.010 -15.402 692 1HD1 LEU 87 HD11 LEU 87 -24.972 2.105 -16.773 693 2HD1 LEU 87 HD13 LEU 87 -25.487 1.173 -18.180 694 3HD1 LEU 87 HD12 LEU 87 -26.608 1.446 -16.849 695 1HD2 LEU 87 HD21 LEU 87 -25.071 -1.595 -17.880 696 2HD2 LEU 87 HD23 LEU 87 -25.887 -2.000 -16.369 697 3HD2 LEU 87 HD22 LEU 87 -26.674 -0.945 -17.540 698 H PHE 88 HN PHE 88 -21.270 -2.430 -17.602 699 HA PHE 88 HA PHE 88 -18.967 -1.438 -16.028 700 1HB PHE 88 HB2 PHE 88 -19.399 -3.997 -17.531 701 2HB PHE 88 HB1 PHE 88 -17.780 -3.414 -17.163 702 HD1 PHE 88 HD1 PHE 88 -16.956 -3.341 -14.889 703 HD2 PHE 88 HD2 PHE 88 -20.870 -4.805 -15.757 704 HE1 PHE 88 HE1 PHE 88 -17.074 -4.336 -12.645 705 HE2 PHE 88 HE2 PHE 88 -20.991 -5.808 -13.509 706 HZ PHE 88 HZ PHE 88 -19.101 -5.574 -11.951 707 H GLN 89 HN GLN 89 -17.467 -0.258 -17.025 708 HA GLN 89 HA GLN 89 -17.683 0.177 -19.957 709 1HB GLN 89 HB2 GLN 89 -18.172 2.149 -18.459 710 2HB GLN 89 HB1 GLN 89 -16.513 2.058 -17.902 711 1HG GLN 89 HG2 GLN 89 -15.846 2.244 -20.379 712 2HG GLN 89 HG1 GLN 89 -17.513 2.731 -20.665 713 1HE2 GLN 89 HE22 GLN 89 -14.924 5.219 -18.684 714 2HE2 GLN 89 HE21 GLN 89 -14.576 3.521 -18.881 715 H ALA 90 HN ALA 90 -15.972 -0.320 -21.174 716 HA ALA 90 HA ALA 90 -13.546 -1.361 -19.887 717 1HB ALA 90 HB2 ALA 90 -14.613 -2.715 -21.646 718 2HB ALA 90 HB1 ALA 90 -14.390 -1.396 -22.800 719 3HB ALA 90 HB3 ALA 90 -12.987 -2.212 -22.112 720 H LYS 91 HN LYS 91 -11.442 -0.683 -20.614 721 HA LYS 91 HA LYS 91 -11.357 2.165 -21.421 722 1HB LYS 91 HB2 LYS 91 -9.032 2.057 -20.362 723 2HB LYS 91 HB1 LYS 91 -10.419 1.996 -19.290 724 1HG LYS 91 HG2 LYS 91 -9.547 0.148 -18.391 725 2HG LYS 91 HG1 LYS 91 -9.845 -0.684 -19.906 726 1HD LYS 91 HD2 LYS 91 -7.642 0.032 -20.731 727 2HD LYS 91 HD1 LYS 91 -7.333 0.808 -19.179 728 1HE LYS 91 HE2 LYS 91 -6.288 -1.231 -18.860 729 2HE LYS 91 HE1 LYS 91 -7.884 -1.574 -18.209 730 1HZ LYS 91 HZ2 LYS 91 -7.119 -2.146 -21.017 731 2HZ LYS 91 HZ1 LYS 91 -6.946 -3.278 -19.756 732 3HZ LYS 91 HZ3 LYS 91 -8.497 -2.705 -20.172 733 H ASP 92 HN ASP 92 -10.374 -1.014 -22.423 734 HA ASP 92 HA ASP 92 -8.490 0.102 -24.412 735 1HB ASP 92 HB2 ASP 92 -8.669 -2.440 -22.934 736 2HB ASP 92 HB1 ASP 92 -8.294 -2.642 -24.643 737 H ASP 93 HN ASP 93 -11.598 -0.114 -24.409 738 HA ASP 93 HA ASP 93 -13.280 -0.302 -25.973 739 1HB ASP 93 HB2 ASP 93 -10.876 -0.223 -27.803 740 2HB ASP 93 HB1 ASP 93 -12.502 -0.439 -28.440 741 H GLU 94 HN GLU 94 -10.936 -2.421 -27.603 742 HA GLU 94 HA GLU 94 -12.738 -4.485 -28.225 743 1HB GLU 94 HB2 GLU 94 -9.742 -4.677 -27.833 744 2HB GLU 94 HB1 GLU 94 -10.744 -5.859 -28.666 745 1HG GLU 94 HG2 GLU 94 -10.417 -2.965 -29.511 746 2HG GLU 94 HG1 GLU 94 -9.556 -4.325 -30.223 747 H GLU 95 HN GLU 95 -10.955 -3.826 -25.343 748 HA GLU 95 HA GLU 95 -10.886 -6.261 -23.985 749 1HB GLU 95 HB2 GLU 95 -9.919 -3.968 -23.374 750 2HB GLU 95 HB1 GLU 95 -11.493 -3.620 -22.683 751 1HG GLU 95 HG2 GLU 95 -11.161 -5.808 -21.342 752 2HG GLU 95 HG1 GLU 95 -9.470 -5.668 -21.813 753 H MET 96 HN MET 96 -13.545 -4.046 -24.556 754 HA MET 96 HA MET 96 -15.438 -4.913 -22.656 755 1HB MET 96 HB2 MET 96 -15.617 -2.898 -24.142 756 2HB MET 96 HB1 MET 96 -15.990 -3.974 -25.483 757 1HG MET 96 HG2 MET 96 -17.784 -4.780 -23.534 758 2HG MET 96 HG1 MET 96 -17.682 -3.047 -23.275 759 1HE MET 96 HE2 MET 96 -18.001 -5.794 -25.878 760 2HE MET 96 HE1 MET 96 -19.107 -5.161 -27.093 761 3HE MET 96 HE3 MET 96 -17.413 -4.657 -27.086 762 H ASN 97 HN ASN 97 -14.812 -6.036 -25.978 763 HA ASN 97 HA ASN 97 -16.812 -8.060 -26.043 764 1HB ASN 97 HB2 ASN 97 -15.759 -7.104 -28.065 765 2HB ASN 97 HB1 ASN 97 -14.228 -7.847 -27.619 766 1HD2 ASN 97 HD22 ASN 97 -15.016 -10.788 -29.291 767 2HD2 ASN 97 HD21 ASN 97 -13.830 -9.630 -28.753 768 H THR 98 HN THR 98 -13.377 -8.060 -25.182 769 HA THR 98 HA THR 98 -13.039 -10.833 -24.770 770 HB THR 98 HB THR 98 -11.552 -8.735 -23.209 771 HG1 THR 98 HG1 THR 98 -10.487 -8.097 -24.988 772 1HG2 THR 98 HG22 THR 98 -10.945 -11.457 -24.325 773 2HG2 THR 98 HG21 THR 98 -9.641 -10.314 -23.990 774 3HG2 THR 98 HG23 THR 98 -10.710 -10.844 -22.688 775 H TRP 99 HN TRP 99 -14.086 -8.244 -22.549 776 HA TRP 99 HA TRP 99 -14.110 -9.825 -20.179 777 1HB TRP 99 HB2 TRP 99 -15.300 -7.199 -20.990 778 2HB TRP 99 HB1 TRP 99 -15.893 -7.964 -19.524 779 HD1 TRP 99 HD1 TRP 99 -13.329 -5.587 -20.597 780 HE1 TRP 99 HE1 TRP 99 -11.507 -5.321 -18.828 781 HE3 TRP 99 HE3 TRP 99 -14.376 -9.625 -17.626 782 HZ2 TRP 99 HZ2 TRP 99 -10.617 -6.583 -16.499 783 HZ3 TRP 99 HZ3 TRP 99 -12.985 -10.034 -15.633 784 HH2 TRP 99 HH2 TRP 99 -11.122 -8.530 -15.070 785 H ILE 100 HN ILE 100 -16.675 -9.018 -22.529 786 HA ILE 100 HA ILE 100 -18.831 -10.258 -21.223 787 HB ILE 100 HB ILE 100 -18.304 -9.792 -24.163 788 1HG1 ILE 100 HG12 ILE 100 -20.157 -8.339 -22.266 789 2HG1 ILE 100 HG11 ILE 100 -18.515 -7.817 -22.603 790 1HG2 ILE 100 HG22 ILE 100 -20.718 -10.933 -22.778 791 2HG2 ILE 100 HG21 ILE 100 -20.893 -10.003 -24.261 792 3HG2 ILE 100 HG23 ILE 100 -19.926 -11.477 -24.257 793 1HD1 ILE 100 HD13 ILE 100 -19.120 -7.691 -25.027 794 2HD1 ILE 100 HD12 ILE 100 -20.790 -8.053 -24.577 795 3HD1 ILE 100 HD11 ILE 100 -20.021 -6.568 -24.005 796 H GLN 101 HN GLN 101 -16.511 -11.604 -23.577 797 HA GLN 101 HA GLN 101 -17.671 -14.227 -23.625 798 1HB GLN 101 HB2 GLN 101 -14.973 -13.161 -24.471 799 2HB GLN 101 HB1 GLN 101 -15.416 -14.858 -24.627 800 1HG GLN 101 HG2 GLN 101 -17.589 -13.718 -25.776 801 2HG GLN 101 HG1 GLN 101 -16.380 -12.490 -26.149 802 1HE2 GLN 101 HE22 GLN 101 -16.010 -16.248 -27.767 803 2HE2 GLN 101 HE21 GLN 101 -16.924 -16.008 -26.305 804 H ALA 102 HN ALA 102 -15.049 -12.729 -21.751 805 HA ALA 102 HA ALA 102 -14.123 -15.061 -20.424 806 1HB ALA 102 HB2 ALA 102 -12.873 -12.926 -20.488 807 2HB ALA 102 HB1 ALA 102 -14.093 -12.193 -19.439 808 3HB ALA 102 HB3 ALA 102 -13.091 -13.516 -18.840 809 H ILE 103 HN ILE 103 -16.673 -12.726 -19.652 810 HA ILE 103 HA ILE 103 -17.346 -13.746 -17.068 811 HB ILE 103 HB ILE 103 -18.730 -11.989 -19.080 812 1HG1 ILE 103 HG12 ILE 103 -18.205 -11.209 -16.255 813 2HG1 ILE 103 HG11 ILE 103 -16.811 -11.398 -17.314 814 1HG2 ILE 103 HG21 ILE 103 -19.944 -13.152 -16.579 815 2HG2 ILE 103 HG23 ILE 103 -20.443 -11.577 -17.195 816 3HG2 ILE 103 HG22 ILE 103 -20.645 -13.011 -18.195 817 1HD1 ILE 103 HD12 ILE 103 -18.809 -9.909 -18.721 818 2HD1 ILE 103 HD11 ILE 103 -18.581 -9.189 -17.131 819 3HD1 ILE 103 HD13 ILE 103 -17.200 -9.392 -18.205 820 H SER 104 HN SER 104 -18.341 -14.541 -20.362 821 HA SER 104 HA SER 104 -20.530 -16.254 -19.683 822 1HB SER 104 HB2 SER 104 -18.789 -16.277 -22.162 823 2HB SER 104 HB1 SER 104 -20.364 -17.042 -21.988 824 HG SER 104 HG SER 104 -19.768 -14.252 -21.943 825 H SER 105 HN SER 105 -17.046 -16.768 -20.101 826 HA SER 105 HA SER 105 -17.182 -19.649 -19.860 827 1HB SER 105 HB2 SER 105 -14.794 -17.805 -19.577 828 2HB SER 105 HB1 SER 105 -14.749 -19.550 -19.811 829 HG SER 105 HG SER 105 -14.432 -18.269 -21.764 830 H ALA 106 HN ALA 106 -16.077 -16.987 -17.766 831 HA ALA 106 HA ALA 106 -15.899 -16.732 -15.515 832 1HB ALA 106 HB1 ALA 106 -18.279 -17.746 -15.719 833 2HB ALA 106 HB3 ALA 106 -17.543 -19.207 -15.059 834 3HB ALA 106 HB2 ALA 106 -17.504 -17.701 -14.138 No H/Q in entry = 834 Start of MODEL 18 1 1H MET 1 HT3 MET 1 -8.249 -13.794 -15.321 2 2H MET 1 HT2 MET 1 -9.651 -14.512 -15.976 3 3H MET 1 HT1 MET 1 -8.227 -14.388 -16.916 4 HA MET 1 HA MET 1 -8.556 -12.254 -17.429 5 1HB MET 1 HB2 MET 1 -10.661 -13.498 -18.035 6 2HB MET 1 HB1 MET 1 -11.389 -12.870 -16.560 7 1HG MET 1 HG2 MET 1 -12.023 -11.485 -18.455 8 2HG MET 1 HG1 MET 1 -10.997 -10.568 -17.362 9 1HE MET 1 HE2 MET 1 -10.240 -8.788 -18.652 10 2HE MET 1 HE1 MET 1 -9.300 -8.827 -20.140 11 3HE MET 1 HE3 MET 1 -11.054 -9.075 -20.188 12 H GLU 2 HN GLU 2 -7.574 -10.767 -16.197 13 HA GLU 2 HA GLU 2 -9.057 -9.621 -13.907 14 1HB GLU 2 HB2 GLU 2 -6.088 -10.214 -13.957 15 2HB GLU 2 HB1 GLU 2 -6.955 -9.393 -12.665 16 1HG GLU 2 HG2 GLU 2 -7.042 -11.475 -11.750 17 2HG GLU 2 HG1 GLU 2 -8.424 -11.658 -12.822 18 H GLY 3 HN GLY 3 -8.806 -7.422 -13.637 19 1HA GLY 3 HA2 GLY 3 -6.949 -5.686 -14.684 20 2HA GLY 3 HA1 GLY 3 -8.132 -5.897 -15.976 21 H PHE 4 HN PHE 4 -8.013 -3.450 -15.242 22 HA PHE 4 HA PHE 4 -9.804 -2.817 -13.014 23 1HB PHE 4 HB2 PHE 4 -8.196 -1.167 -14.951 24 2HB PHE 4 HB1 PHE 4 -9.417 -0.434 -13.922 25 HD1 PHE 4 HD1 PHE 4 -9.252 -0.826 -11.411 26 HD2 PHE 4 HD2 PHE 4 -6.033 -1.535 -14.125 27 HE1 PHE 4 HE1 PHE 4 -7.648 -0.697 -9.545 28 HE2 PHE 4 HE2 PHE 4 -4.427 -1.400 -12.260 29 HZ PHE 4 HZ PHE 4 -5.230 -0.980 -9.970 30 H LEU 5 HN LEU 5 -11.799 -1.862 -13.222 31 HA LEU 5 HA LEU 5 -13.005 -1.516 -15.878 32 1HB LEU 5 HB2 LEU 5 -13.703 -3.673 -13.936 33 2HB LEU 5 HB1 LEU 5 -15.040 -2.857 -14.737 34 HG LEU 5 HG LEU 5 -12.743 -4.253 -16.114 35 1HD1 LEU 5 HD13 LEU 5 -15.521 -5.060 -15.396 36 2HD1 LEU 5 HD12 LEU 5 -14.840 -5.640 -16.916 37 3HD1 LEU 5 HD11 LEU 5 -14.035 -6.007 -15.387 38 1HD2 LEU 5 HD21 LEU 5 -14.966 -2.541 -17.116 39 2HD2 LEU 5 HD23 LEU 5 -13.309 -2.688 -17.695 40 3HD2 LEU 5 HD22 LEU 5 -14.489 -3.945 -18.075 41 H ASN 6 HN ASN 6 -14.695 -0.068 -15.880 42 HA ASN 6 HA ASN 6 -15.091 1.519 -13.448 43 1HB ASN 6 HB2 ASN 6 -15.076 2.121 -16.228 44 2HB ASN 6 HB1 ASN 6 -16.712 2.408 -15.652 45 1HD2 ASN 6 HD22 ASN 6 -15.707 5.579 -14.597 46 2HD2 ASN 6 HD21 ASN 6 -16.773 4.594 -15.553 47 H ARG 7 HN ARG 7 -16.613 0.884 -12.056 48 HA ARG 7 HA ARG 7 -18.902 -0.689 -13.075 49 1HB ARG 7 HB2 ARG 7 -17.452 -1.819 -11.442 50 2HB ARG 7 HB1 ARG 7 -17.735 -0.525 -10.286 51 1HG ARG 7 HG2 ARG 7 -20.074 -1.096 -10.117 52 2HG ARG 7 HG1 ARG 7 -19.939 -2.237 -11.453 53 1HD ARG 7 HD2 ARG 7 -19.670 -3.801 -9.845 54 2HD ARG 7 HD1 ARG 7 -18.027 -3.184 -9.723 55 HE ARG 7 HE ARG 7 -18.855 -1.724 -7.870 56 1HH1 ARG 7 HH21 ARG 7 -21.434 -1.622 -7.181 57 2HH1 ARG 7 HH22 ARG 7 -21.897 -3.078 -6.344 58 1HH2 ARG 7 HH11 ARG 7 -19.094 -4.906 -7.431 59 2HH2 ARG 7 HH12 ARG 7 -20.558 -4.949 -6.503 60 H LYS 8 HN LYS 8 -20.887 0.049 -12.925 61 HA LYS 8 HA LYS 8 -21.562 2.247 -11.073 62 1HB LYS 8 HB2 LYS 8 -21.191 3.084 -13.423 63 2HB LYS 8 HB1 LYS 8 -22.546 2.098 -13.927 64 1HG LYS 8 HG2 LYS 8 -23.525 3.518 -11.733 65 2HG LYS 8 HG1 LYS 8 -22.521 4.690 -12.578 66 1HD LYS 8 HD2 LYS 8 -24.291 5.052 -13.916 67 2HD LYS 8 HD1 LYS 8 -23.937 3.491 -14.640 68 1HE LYS 8 HE2 LYS 8 -26.183 3.271 -14.081 69 2HE LYS 8 HE1 LYS 8 -25.380 2.515 -12.708 70 1HZ LYS 8 HZ2 LYS 8 -26.033 5.389 -12.607 71 2HZ LYS 8 HZ1 LYS 8 -27.260 4.230 -12.325 72 3HZ LYS 8 HZ3 LYS 8 -25.878 4.266 -11.332 73 H HIS 9 HN HIS 9 -22.828 1.161 -9.712 74 HA HIS 9 HA HIS 9 -24.597 -0.959 -10.608 75 1HB HIS 9 HB2 HIS 9 -25.169 -1.115 -8.164 76 2HB HIS 9 HB1 HIS 9 -23.487 -1.407 -8.562 77 HD1 HIS 9 HD1 HIS 9 -23.766 -0.833 -5.781 78 HD2 HIS 9 HD2 HIS 9 -23.613 2.316 -8.473 79 HE1 HIS 9 HE1 HIS 9 -23.073 1.151 -4.431 80 H GLU 10 HN GLU 10 -26.532 -0.559 -11.374 81 HA GLU 10 HA GLU 10 -27.909 1.964 -10.879 82 1HB GLU 10 HB2 GLU 10 -27.869 0.873 -13.148 83 2HB GLU 10 HB1 GLU 10 -28.820 -0.451 -12.483 84 1HG GLU 10 HG2 GLU 10 -30.187 1.244 -13.706 85 2HG GLU 10 HG1 GLU 10 -30.675 1.041 -12.024 86 H TRP 11 HN TRP 11 -28.331 -1.480 -10.274 87 HA TRP 11 HA TRP 11 -30.036 -0.919 -7.946 88 1HB TRP 11 HB2 TRP 11 -31.570 -1.437 -9.778 89 2HB TRP 11 HB1 TRP 11 -30.670 -2.886 -10.167 90 HD1 TRP 11 HD1 TRP 11 -32.741 -1.500 -7.140 91 HE1 TRP 11 HE1 TRP 11 -33.938 -3.507 -6.086 92 HE3 TRP 11 HE3 TRP 11 -30.852 -5.266 -10.035 93 HZ2 TRP 11 HZ2 TRP 11 -34.091 -6.291 -6.429 94 HZ3 TRP 11 HZ3 TRP 11 -31.580 -7.579 -9.640 95 HH2 TRP 11 HH2 TRP 11 -33.176 -8.090 -7.844 96 H GLU 12 HN GLU 12 -29.278 -2.061 -6.243 97 HA GLU 12 HA GLU 12 -27.772 -4.533 -6.708 98 1HB GLU 12 HB2 GLU 12 -26.255 -2.481 -6.607 99 2HB GLU 12 HB1 GLU 12 -26.732 -2.322 -4.922 100 1HG GLU 12 HG2 GLU 12 -25.762 -4.443 -4.367 101 2HG GLU 12 HG1 GLU 12 -25.501 -4.836 -6.066 102 H ALA 13 HN ALA 13 -28.953 -5.937 -5.650 103 HA ALA 13 HA ALA 13 -29.744 -7.155 -3.886 104 1HB ALA 13 HB2 ALA 13 -27.955 -5.999 -2.521 105 2HB ALA 13 HB1 ALA 13 -29.182 -4.836 -2.029 106 3HB ALA 13 HB3 ALA 13 -29.368 -6.541 -1.618 107 H HIS 14 HN HIS 14 -31.000 -5.038 -1.710 108 HA HIS 14 HA HIS 14 -33.613 -4.924 -3.098 109 1HB HIS 14 HB2 HIS 14 -32.995 -6.292 -0.773 110 2HB HIS 14 HB1 HIS 14 -33.679 -4.795 -0.157 111 HD1 HIS 14 HD1 HIS 14 -36.182 -4.608 -0.220 112 HD2 HIS 14 HD2 HIS 14 -34.807 -7.744 -2.534 113 HE1 HIS 14 HE1 HIS 14 -38.247 -5.830 -0.937 114 H ASN 15 HN ASN 15 -33.816 -2.931 -3.819 115 HA ASN 15 HA ASN 15 -34.308 -0.710 -2.160 116 1HB ASN 15 HB2 ASN 15 -31.612 -1.023 -2.224 117 2HB ASN 15 HB1 ASN 15 -31.819 -0.096 -3.703 118 1HD2 ASN 15 HD22 ASN 15 -31.764 1.830 -0.256 119 2HD2 ASN 15 HD21 ASN 15 -31.141 0.234 -0.551 120 H LYS 16 HN LYS 16 -34.240 1.383 -3.650 121 HA LYS 16 HA LYS 16 -35.765 0.741 -6.032 122 1HB LYS 16 HB2 LYS 16 -35.159 3.162 -4.437 123 2HB LYS 16 HB1 LYS 16 -35.346 3.443 -6.168 124 1HG LYS 16 HG2 LYS 16 -37.366 1.813 -4.649 125 2HG LYS 16 HG1 LYS 16 -37.444 3.571 -4.651 126 1HD LYS 16 HD2 LYS 16 -37.540 3.583 -7.103 127 2HD LYS 16 HD1 LYS 16 -37.442 1.823 -7.118 128 1HE LYS 16 HE2 LYS 16 -39.604 1.557 -6.254 129 2HE LYS 16 HE1 LYS 16 -39.640 3.188 -5.595 130 1HZ LYS 16 HZ1 LYS 16 -39.434 2.835 -8.506 131 2HZ LYS 16 HZ3 LYS 16 -40.947 2.615 -7.745 132 3HZ LYS 16 HZ2 LYS 16 -40.136 4.104 -7.606 133 H LYS 17 HN LYS 17 -32.704 2.377 -5.302 134 HA LYS 17 HA LYS 17 -31.402 1.288 -7.617 135 1HB LYS 17 HB2 LYS 17 -30.794 3.470 -8.624 136 2HB LYS 17 HB1 LYS 17 -32.513 3.129 -8.739 137 1HG LYS 17 HG2 LYS 17 -32.999 4.647 -6.931 138 2HG LYS 17 HG1 LYS 17 -31.283 4.879 -6.603 139 1HD LYS 17 HD2 LYS 17 -31.094 5.755 -8.987 140 2HD LYS 17 HD1 LYS 17 -32.855 5.788 -9.018 141 1HE LYS 17 HE2 LYS 17 -31.094 7.269 -7.039 142 2HE LYS 17 HE1 LYS 17 -31.903 7.991 -8.426 143 1HZ LYS 17 HZ3 LYS 17 -33.993 6.928 -7.284 144 2HZ LYS 17 HZ2 LYS 17 -33.018 7.054 -5.891 145 3HZ LYS 17 HZ1 LYS 17 -33.393 8.448 -6.801 146 H ALA 18 HN ALA 18 -29.111 2.048 -7.726 147 HA ALA 18 HA ALA 18 -28.062 2.622 -5.003 148 1HB ALA 18 HB1 ALA 18 -27.054 0.837 -7.215 149 2HB ALA 18 HB3 ALA 18 -25.988 1.410 -5.933 150 3HB ALA 18 HB2 ALA 18 -27.396 0.425 -5.536 151 H SER 19 HN SER 19 -26.276 4.024 -4.818 152 HA SER 19 HA SER 19 -25.206 5.381 -7.160 153 1HB SER 19 HB2 SER 19 -26.784 6.990 -5.137 154 2HB SER 19 HB1 SER 19 -25.922 7.615 -6.540 155 HG SER 19 HG SER 19 -27.599 5.700 -7.368 156 H SER 20 HN SER 20 -24.130 3.823 -4.856 157 HA SER 20 HA SER 20 -22.709 5.763 -3.204 158 1HB SER 20 HB2 SER 20 -22.237 2.777 -3.416 159 2HB SER 20 HB1 SER 20 -21.685 3.852 -2.135 160 HG SER 20 HG SER 20 -23.601 2.678 -1.543 161 H ARG 21 HN ARG 21 -21.516 6.983 -4.622 162 HA ARG 21 HA ARG 21 -19.732 7.604 -5.902 163 1HB ARG 21 HB2 ARG 21 -18.596 4.858 -5.305 164 2HB ARG 21 HB1 ARG 21 -17.715 6.249 -5.924 165 1HG ARG 21 HG2 ARG 21 -18.170 7.471 -3.842 166 2HG ARG 21 HG1 ARG 21 -19.065 6.090 -3.214 167 1HD ARG 21 HD2 ARG 21 -16.159 5.967 -4.055 168 2HD ARG 21 HD1 ARG 21 -16.687 6.259 -2.398 169 HE ARG 21 HE ARG 21 -17.520 3.793 -3.843 170 1HH1 ARG 21 HH11 ARG 21 -17.949 4.729 -0.808 171 2HH1 ARG 21 HH12 ARG 21 -16.906 3.573 -0.020 172 1HH2 ARG 21 HH21 ARG 21 -15.263 2.639 -2.983 173 2HH2 ARG 21 HH22 ARG 21 -15.349 2.401 -1.257 174 H SER 22 HN SER 22 -21.738 7.154 -7.428 175 HA SER 22 HA SER 22 -21.838 5.025 -9.216 176 1HB SER 22 HB2 SER 22 -22.482 7.909 -9.838 177 2HB SER 22 HB1 SER 22 -23.078 6.493 -10.698 178 HG SER 22 HG SER 22 -24.059 7.653 -8.466 179 H TRP 23 HN TRP 23 -20.667 4.386 -10.854 180 HA TRP 23 HA TRP 23 -19.076 4.167 -12.437 181 1HB TRP 23 HB2 TRP 23 -19.479 7.151 -12.561 182 2HB TRP 23 HB1 TRP 23 -18.158 6.411 -13.454 183 HD1 TRP 23 HD1 TRP 23 -21.544 7.474 -14.137 184 HE1 TRP 23 HE1 TRP 23 -22.603 6.115 -16.026 185 HE3 TRP 23 HE3 TRP 23 -18.260 3.569 -14.326 186 HZ2 TRP 23 HZ2 TRP 23 -22.135 3.691 -17.417 187 HZ3 TRP 23 HZ3 TRP 23 -18.606 1.763 -15.935 188 HH2 TRP 23 HH2 TRP 23 -20.531 1.813 -17.482 189 H HIS 24 HN HIS 24 -17.980 3.321 -10.531 190 HA HIS 24 HA HIS 24 -15.582 4.892 -9.768 191 1HB HIS 24 HB2 HIS 24 -15.437 3.239 -7.835 192 2HB HIS 24 HB1 HIS 24 -16.748 4.408 -7.767 193 HD1 HIS 24 HD1 HIS 24 -19.133 3.500 -7.861 194 HD2 HIS 24 HD2 HIS 24 -16.271 0.535 -8.180 195 HE1 HIS 24 HE1 HIS 24 -20.397 1.357 -7.586 196 H ASN 25 HN ASN 25 -13.629 4.138 -10.289 197 HA ASN 25 HA ASN 25 -13.380 1.848 -12.039 198 1HB ASN 25 HB2 ASN 25 -12.061 3.970 -12.301 199 2HB ASN 25 HB1 ASN 25 -11.195 3.571 -10.822 200 1HD2 ASN 25 HD22 ASN 25 -10.149 1.862 -14.336 201 2HD2 ASN 25 HD21 ASN 25 -11.436 3.026 -14.199 202 H VAL 26 HN VAL 26 -13.461 -0.118 -11.185 203 HA VAL 26 HA VAL 26 -12.005 -0.693 -8.670 204 HB VAL 26 HB VAL 26 -14.576 -0.668 -8.634 205 1HG1 VAL 26 HG13 VAL 26 -14.807 -1.968 -10.775 206 2HG1 VAL 26 HG12 VAL 26 -14.293 -3.398 -9.871 207 3HG1 VAL 26 HG11 VAL 26 -15.773 -2.553 -9.422 208 1HG2 VAL 26 HG21 VAL 26 -12.964 -1.723 -6.955 209 2HG2 VAL 26 HG23 VAL 26 -14.646 -2.251 -6.940 210 3HG2 VAL 26 HG22 VAL 26 -13.418 -3.262 -7.697 211 H TYR 27 HN TYR 27 -11.248 -2.899 -8.479 212 HA TYR 27 HA TYR 27 -10.286 -3.967 -11.054 213 1HB TYR 27 HB2 TYR 27 -8.806 -3.305 -9.032 214 2HB TYR 27 HB1 TYR 27 -9.358 -4.808 -8.320 215 HD1 TYR 27 HD1 TYR 27 -7.337 -3.293 -10.965 216 HD2 TYR 27 HD2 TYR 27 -8.653 -6.953 -9.227 217 HE1 TYR 27 HE1 TYR 27 -5.611 -4.519 -12.224 218 HE2 TYR 27 HE2 TYR 27 -6.938 -8.176 -10.486 219 HH TYR 27 HH TYR 27 -5.146 -6.716 -13.035 220 H CYS 28 HN CYS 28 -11.146 -5.778 -11.848 221 HA CYS 28 HA CYS 28 -12.753 -7.530 -10.070 222 1HB CYS 28 HB2 CYS 28 -13.036 -7.151 -13.059 223 2HB CYS 28 HB1 CYS 28 -14.087 -8.097 -12.008 224 HG CYS 28 HG CYS 28 -13.894 -5.050 -11.480 225 H VAL 29 HN VAL 29 -12.309 -9.665 -10.009 226 HA VAL 29 HA VAL 29 -10.273 -10.774 -11.858 227 HB VAL 29 HB VAL 29 -10.411 -11.083 -8.856 228 1HG1 VAL 29 HG11 VAL 29 -8.984 -12.683 -10.930 229 2HG1 VAL 29 HG13 VAL 29 -8.177 -12.375 -9.393 230 3HG1 VAL 29 HG12 VAL 29 -9.734 -13.202 -9.422 231 1HG2 VAL 29 HG22 VAL 29 -8.512 -9.712 -10.722 232 2HG2 VAL 29 HG21 VAL 29 -9.285 -9.092 -9.264 233 3HG2 VAL 29 HG23 VAL 29 -7.981 -10.272 -9.135 234 H ILE 30 HN ILE 30 -11.221 -12.350 -12.962 235 HA ILE 30 HA ILE 30 -13.378 -13.956 -11.735 236 HB ILE 30 HB ILE 30 -12.518 -13.757 -14.630 237 1HG1 ILE 30 HG12 ILE 30 -14.864 -12.467 -13.209 238 2HG1 ILE 30 HG11 ILE 30 -13.437 -11.634 -13.819 239 1HG2 ILE 30 HG23 ILE 30 -14.763 -15.210 -13.243 240 2HG2 ILE 30 HG22 ILE 30 -14.865 -14.767 -14.947 241 3HG2 ILE 30 HG21 ILE 30 -13.580 -15.837 -14.393 242 1HD1 ILE 30 HD11 ILE 30 -14.006 -12.400 -16.112 243 2HD1 ILE 30 HD13 ILE 30 -15.477 -13.133 -15.474 244 3HD1 ILE 30 HD12 ILE 30 -15.260 -11.384 -15.406 245 H ASN 31 HN ASN 31 -13.082 -16.096 -11.317 246 HA ASN 31 HA ASN 31 -10.749 -17.488 -12.452 247 1HB ASN 31 HB2 ASN 31 -10.407 -16.403 -10.035 248 2HB ASN 31 HB1 ASN 31 -11.234 -17.868 -9.515 249 1HD2 ASN 31 HD22 ASN 31 -8.392 -19.871 -9.947 250 2HD2 ASN 31 HD21 ASN 31 -9.981 -19.658 -9.268 251 H ASN 32 HN ASN 32 -12.672 -18.266 -13.649 252 HA ASN 32 HA ASN 32 -14.119 -19.913 -14.236 253 1HB ASN 32 HB2 ASN 32 -12.194 -21.327 -13.615 254 2HB ASN 32 HB1 ASN 32 -12.822 -21.453 -11.976 255 1HD2 ASN 32 HD22 ASN 32 -15.037 -23.251 -14.958 256 2HD2 ASN 32 HD21 ASN 32 -14.274 -21.718 -15.244 257 H GLN 33 HN GLN 33 -16.127 -19.211 -13.896 258 HA GLN 33 HA GLN 33 -18.243 -19.085 -13.076 259 1HB GLN 33 HB2 GLN 33 -17.329 -21.147 -11.067 260 2HB GLN 33 HB1 GLN 33 -18.997 -20.711 -11.418 261 1HG GLN 33 HG2 GLN 33 -18.759 -21.495 -13.718 262 2HG GLN 33 HG1 GLN 33 -17.056 -21.858 -13.441 263 1HE2 GLN 33 HE22 GLN 33 -19.957 -24.331 -11.968 264 2HE2 GLN 33 HE21 GLN 33 -20.347 -22.737 -12.538 265 H GLU 34 HN GLU 34 -15.664 -18.531 -10.783 266 HA GLU 34 HA GLU 34 -17.475 -16.842 -9.156 267 1HB GLU 34 HB2 GLU 34 -15.807 -18.937 -8.349 268 2HB GLU 34 HB1 GLU 34 -14.932 -17.483 -7.894 269 1HG GLU 34 HG2 GLU 34 -16.266 -17.932 -6.024 270 2HG GLU 34 HG1 GLU 34 -17.171 -16.690 -6.882 271 H MET 35 HN MET 35 -16.782 -14.798 -8.549 272 HA MET 35 HA MET 35 -14.241 -13.782 -9.569 273 1HB MET 35 HB2 MET 35 -15.243 -11.883 -10.699 274 2HB MET 35 HB1 MET 35 -15.853 -13.376 -11.398 275 1HG MET 35 HG2 MET 35 -17.922 -13.152 -10.105 276 2HG MET 35 HG1 MET 35 -17.318 -11.673 -9.369 277 1HE MET 35 HE2 MET 35 -16.979 -9.600 -10.308 278 2HE MET 35 HE1 MET 35 -17.582 -8.979 -11.846 279 3HE MET 35 HE3 MET 35 -18.710 -9.346 -10.536 280 H GLY 36 HN GLY 36 -13.493 -11.967 -8.480 281 1HA GLY 36 HA2 GLY 36 -15.022 -11.155 -6.073 282 2HA GLY 36 HA1 GLY 36 -13.294 -11.486 -6.027 283 H PHE 37 HN PHE 37 -14.878 -9.022 -5.456 284 HA PHE 37 HA PHE 37 -13.867 -7.114 -7.469 285 1HB PHE 37 HB2 PHE 37 -15.887 -6.906 -5.237 286 2HB PHE 37 HB1 PHE 37 -15.234 -5.480 -6.029 287 HD1 PHE 37 HD1 PHE 37 -15.426 -5.391 -8.614 288 HD2 PHE 37 HD2 PHE 37 -17.759 -7.977 -6.134 289 HE1 PHE 37 HE1 PHE 37 -17.105 -5.595 -10.405 290 HE2 PHE 37 HE2 PHE 37 -19.434 -8.176 -7.928 291 HZ PHE 37 HZ PHE 37 -19.112 -6.988 -10.060 292 H TYR 38 HN TYR 38 -12.010 -6.093 -7.083 293 HA TYR 38 HA TYR 38 -11.128 -5.647 -4.284 294 1HB TYR 38 HB2 TYR 38 -9.350 -6.420 -6.610 295 2HB TYR 38 HB1 TYR 38 -8.836 -6.124 -4.956 296 HD1 TYR 38 HD1 TYR 38 -9.402 -7.723 -3.165 297 HD2 TYR 38 HD2 TYR 38 -10.345 -8.499 -7.250 298 HE1 TYR 38 HE1 TYR 38 -9.740 -10.100 -2.630 299 HE2 TYR 38 HE2 TYR 38 -10.678 -10.879 -6.716 300 HH TYR 38 HH TYR 38 -10.015 -12.501 -5.049 301 H LYS 39 HN LYS 39 -9.226 -4.029 -4.307 302 HA LYS 39 HA LYS 39 -10.162 -1.589 -5.550 303 1HB LYS 39 HB2 LYS 39 -9.147 -1.947 -3.174 304 2HB LYS 39 HB1 LYS 39 -7.598 -1.833 -4.008 305 1HG LYS 39 HG2 LYS 39 -8.098 0.376 -4.803 306 2HG LYS 39 HG1 LYS 39 -9.769 0.254 -4.264 307 1HD LYS 39 HD2 LYS 39 -8.392 1.641 -2.745 308 2HD LYS 39 HD1 LYS 39 -9.070 0.232 -1.938 309 1HE LYS 39 HE2 LYS 39 -6.729 0.564 -1.293 310 2HE LYS 39 HE1 LYS 39 -6.932 -0.952 -2.161 311 1HZ LYS 39 HZ2 LYS 39 -6.226 1.412 -3.740 312 2HZ LYS 39 HZ1 LYS 39 -5.019 0.756 -2.728 313 3HZ LYS 39 HZ3 LYS 39 -5.737 -0.212 -3.929 314 H ASP 40 HN ASP 40 -7.347 -3.707 -5.855 315 HA ASP 40 HA ASP 40 -6.788 -2.855 -8.540 316 1HB ASP 40 HB2 ASP 40 -4.395 -2.154 -7.965 317 2HB ASP 40 HB1 ASP 40 -5.664 -1.002 -7.580 318 H ALA 41 HN ALA 41 -4.303 -3.809 -8.957 319 HA ALA 41 HA ALA 41 -4.625 -6.627 -8.888 320 1HB ALA 41 HB3 ALA 41 -3.296 -5.408 -10.585 321 2HB ALA 41 HB2 ALA 41 -2.080 -5.055 -9.352 322 3HB ALA 41 HB1 ALA 41 -2.393 -6.724 -9.834 323 H LYS 42 HN LYS 42 -2.819 -4.408 -6.816 324 HA LYS 42 HA LYS 42 -1.390 -6.376 -5.317 325 1HB LYS 42 HB2 LYS 42 -2.165 -3.558 -4.521 326 2HB LYS 42 HB1 LYS 42 -0.942 -4.554 -3.746 327 1HG LYS 42 HG2 LYS 42 -0.280 -4.534 -6.487 328 2HG LYS 42 HG1 LYS 42 -0.715 -2.875 -6.092 329 1HD LYS 42 HD2 LYS 42 1.602 -3.025 -5.673 330 2HD LYS 42 HD1 LYS 42 0.842 -3.095 -4.086 331 1HE LYS 42 HE2 LYS 42 2.589 -4.773 -4.191 332 2HE LYS 42 HE1 LYS 42 1.029 -5.585 -4.167 333 1HZ LYS 42 HZ2 LYS 42 2.183 -4.965 -6.774 334 2HZ LYS 42 HZ1 LYS 42 2.896 -6.227 -5.871 335 3HZ LYS 42 HZ3 LYS 42 1.246 -6.298 -6.288 336 H SER 43 HN SER 43 -4.438 -4.636 -4.829 337 HA SER 43 HA SER 43 -5.100 -5.723 -2.292 338 1HB SER 43 HB2 SER 43 -6.975 -4.743 -4.450 339 2HB SER 43 HB1 SER 43 -7.326 -4.868 -2.731 340 HG SER 43 HG SER 43 -5.329 -3.200 -3.920 341 H ALA 44 HN ALA 44 -5.667 -6.840 -5.592 342 HA ALA 44 HA ALA 44 -7.450 -8.983 -4.917 343 1HB ALA 44 HB2 ALA 44 -5.767 -8.455 -7.375 344 2HB ALA 44 HB1 ALA 44 -6.934 -9.770 -7.239 345 3HB ALA 44 HB3 ALA 44 -7.482 -8.095 -7.164 346 H ALA 45 HN ALA 45 -3.964 -8.673 -5.294 347 HA ALA 45 HA ALA 45 -3.395 -11.489 -5.149 348 1HB ALA 45 HB3 ALA 45 -1.892 -9.875 -6.257 349 2HB ALA 45 HB2 ALA 45 -1.560 -9.122 -4.698 350 3HB ALA 45 HB1 ALA 45 -1.064 -10.789 -5.000 351 H SER 46 HN SER 46 -3.034 -8.780 -2.840 352 HA SER 46 HA SER 46 -2.199 -10.452 -0.659 353 1HB SER 46 HB2 SER 46 -3.287 -7.633 -0.559 354 2HB SER 46 HB1 SER 46 -2.347 -8.452 0.687 355 HG SER 46 HG SER 46 -0.903 -8.696 -1.471 356 H GLY 47 HN GLY 47 -5.315 -9.446 -1.857 357 1HA GLY 47 HA2 GLY 47 -7.362 -10.467 -1.346 358 2HA GLY 47 HA1 GLY 47 -6.645 -11.164 0.103 359 H ILE 48 HN ILE 48 -7.141 -7.871 -1.167 360 HA ILE 48 HA ILE 48 -8.206 -7.032 1.469 361 HB ILE 48 HB ILE 48 -7.301 -5.180 -0.721 362 1HG1 ILE 48 HG12 ILE 48 -5.365 -6.588 -0.273 363 2HG1 ILE 48 HG11 ILE 48 -5.118 -4.986 0.414 364 1HG2 ILE 48 HG23 ILE 48 -7.767 -4.909 2.228 365 2HG2 ILE 48 HG22 ILE 48 -6.846 -3.718 1.306 366 3HG2 ILE 48 HG21 ILE 48 -8.537 -4.030 0.904 367 1HD1 ILE 48 HD12 ILE 48 -6.314 -6.360 2.486 368 2HD1 ILE 48 HD11 ILE 48 -5.273 -7.576 1.737 369 3HD1 ILE 48 HD13 ILE 48 -4.587 -6.057 2.307 370 HA PRO 49 HA PRO 49 -11.991 -7.351 -1.013 371 1HB PRO 49 HB2 PRO 49 -13.729 -7.053 1.064 372 2HB PRO 49 HB1 PRO 49 -12.921 -8.572 0.651 373 1HG PRO 49 HG2 PRO 49 -12.231 -6.570 2.755 374 2HG PRO 49 HG1 PRO 49 -12.223 -8.338 2.840 375 1HD PRO 49 HD2 PRO 49 -9.968 -6.877 2.504 376 2HD PRO 49 HD1 PRO 49 -10.160 -8.504 1.821 377 H TYR 50 HN TYR 50 -13.143 -5.904 -2.066 378 HA TYR 50 HA TYR 50 -13.322 -3.116 -1.077 379 1HB TYR 50 HB2 TYR 50 -11.992 -3.601 -3.205 380 2HB TYR 50 HB1 TYR 50 -13.528 -4.011 -3.956 381 HD1 TYR 50 HD1 TYR 50 -11.489 -1.315 -2.522 382 HD2 TYR 50 HD2 TYR 50 -15.158 -2.298 -4.472 383 HE1 TYR 50 HE1 TYR 50 -11.887 1.071 -2.982 384 HE2 TYR 50 HE2 TYR 50 -15.554 0.090 -4.932 385 HH TYR 50 HH TYR 50 -13.127 2.511 -4.333 386 H HIS 51 HN HIS 51 -15.281 -2.303 -0.767 387 HA HIS 51 HA HIS 51 -17.548 -2.028 -0.725 388 1HB HIS 51 HB2 HIS 51 -17.136 -3.208 -3.275 389 2HB HIS 51 HB1 HIS 51 -18.486 -4.070 -2.554 390 HD1 HIS 51 HD1 HIS 51 -20.686 -2.964 -2.894 391 HD2 HIS 51 HD2 HIS 51 -17.555 -0.258 -3.122 392 HE1 HIS 51 HE1 HIS 51 -21.757 -0.783 -3.509 393 H SER 52 HN SER 52 -19.657 -3.501 -0.502 394 HA SER 52 HA SER 52 -19.155 -5.195 1.785 395 1HB SER 52 HB2 SER 52 -21.867 -5.427 1.108 396 2HB SER 52 HB1 SER 52 -21.163 -4.335 2.293 397 HG SER 52 HG SER 52 -21.746 -3.803 -0.452 398 H GLU 53 HN GLU 53 -20.606 -5.642 -1.428 399 HA GLU 53 HA GLU 53 -20.577 -8.555 -1.142 400 1HB GLU 53 HB2 GLU 53 -21.592 -8.397 -3.502 401 2HB GLU 53 HB1 GLU 53 -22.559 -7.833 -2.148 402 1HG GLU 53 HG2 GLU 53 -20.849 -5.911 -3.726 403 2HG GLU 53 HG1 GLU 53 -22.450 -6.372 -4.293 404 H VAL 54 HN VAL 54 -18.296 -8.784 -1.042 405 HA VAL 54 HA VAL 54 -16.601 -7.969 -3.228 406 HB VAL 54 HB VAL 54 -15.651 -10.061 -1.346 407 1HG1 VAL 54 HG13 VAL 54 -14.279 -8.843 -3.097 408 2HG1 VAL 54 HG12 VAL 54 -14.408 -7.419 -2.064 409 3HG1 VAL 54 HG11 VAL 54 -13.622 -8.881 -1.465 410 1HG2 VAL 54 HG22 VAL 54 -16.338 -7.264 -0.437 411 2HG2 VAL 54 HG21 VAL 54 -16.994 -8.774 0.194 412 3HG2 VAL 54 HG23 VAL 54 -15.298 -8.377 0.447 413 HA PRO 55 HA PRO 55 -16.759 -12.563 -4.455 414 1HB PRO 55 HB2 PRO 55 -18.176 -14.349 -2.979 415 2HB PRO 55 HB1 PRO 55 -16.519 -13.868 -2.600 416 1HG PRO 55 HG2 PRO 55 -19.005 -13.218 -1.205 417 2HG PRO 55 HG1 PRO 55 -17.337 -13.129 -0.624 418 1HD PRO 55 HD2 PRO 55 -19.032 -10.999 -1.588 419 2HD PRO 55 HD1 PRO 55 -17.400 -10.893 -0.910 420 H VAL 56 HN VAL 56 -17.931 -12.921 -6.254 421 HA VAL 56 HA VAL 56 -20.884 -12.993 -6.120 422 HB VAL 56 HB VAL 56 -19.141 -11.326 -7.937 423 1HG1 VAL 56 HG11 VAL 56 -21.966 -12.259 -8.451 424 2HG1 VAL 56 HG13 VAL 56 -21.286 -10.809 -9.192 425 3HG1 VAL 56 HG12 VAL 56 -20.564 -12.383 -9.517 426 1HG2 VAL 56 HG23 VAL 56 -21.443 -10.796 -6.068 427 2HG2 VAL 56 HG22 VAL 56 -19.824 -10.091 -6.061 428 3HG2 VAL 56 HG21 VAL 56 -20.979 -9.638 -7.317 429 H SER 57 HN SER 57 -21.793 -14.564 -7.339 430 HA SER 57 HA SER 57 -20.039 -16.479 -8.657 431 1HB SER 57 HB2 SER 57 -22.947 -16.583 -7.936 432 2HB SER 57 HB1 SER 57 -22.006 -17.909 -8.568 433 HG SER 57 HG SER 57 -20.640 -17.695 -6.674 434 H LEU 58 HN LEU 58 -19.841 -16.525 -10.819 435 HA LEU 58 HA LEU 58 -21.559 -14.880 -12.520 436 1HB LEU 58 HB2 LEU 58 -19.033 -16.463 -12.961 437 2HB LEU 58 HB1 LEU 58 -19.965 -15.856 -14.325 438 HG LEU 58 HG LEU 58 -18.998 -14.104 -12.072 439 1HD1 LEU 58 HD22 LEU 58 -17.728 -14.610 -14.763 440 2HD1 LEU 58 HD21 LEU 58 -17.227 -13.367 -13.615 441 3HD1 LEU 58 HD23 LEU 58 -17.072 -15.072 -13.190 442 1HD2 LEU 58 HD13 LEU 58 -20.582 -13.686 -14.521 443 2HD2 LEU 58 HD12 LEU 58 -20.516 -12.738 -13.035 444 3HD2 LEU 58 HD11 LEU 58 -19.276 -12.524 -14.270 445 H LYS 59 HN LYS 59 -22.684 -17.201 -11.167 446 HA LYS 59 HA LYS 59 -23.203 -19.226 -13.193 447 1HB LYS 59 HB2 LYS 59 -23.001 -19.699 -10.716 448 2HB LYS 59 HB1 LYS 59 -24.525 -18.848 -10.490 449 1HG LYS 59 HG2 LYS 59 -24.796 -20.808 -12.593 450 2HG LYS 59 HG1 LYS 59 -24.135 -21.568 -11.149 451 1HD LYS 59 HD2 LYS 59 -26.640 -19.864 -11.224 452 2HD LYS 59 HD1 LYS 59 -26.612 -21.624 -11.219 453 1HE LYS 59 HE2 LYS 59 -26.466 -21.657 -8.990 454 2HE LYS 59 HE1 LYS 59 -24.984 -20.708 -9.054 455 1HZ LYS 59 HZ1 LYS 59 -27.121 -18.976 -9.528 456 2HZ LYS 59 HZ3 LYS 59 -27.530 -19.923 -8.179 457 3HZ LYS 59 HZ2 LYS 59 -26.084 -19.024 -8.171 458 H GLU 60 HN GLU 60 -24.635 -18.826 -14.758 459 HA GLU 60 HA GLU 60 -26.451 -18.104 -15.934 460 1HB GLU 60 HB2 GLU 60 -27.650 -17.875 -13.162 461 2HB GLU 60 HB1 GLU 60 -28.560 -17.593 -14.639 462 1HG GLU 60 HG2 GLU 60 -27.078 -20.114 -14.724 463 2HG GLU 60 HG1 GLU 60 -28.186 -20.044 -13.356 464 H ALA 61 HN ALA 61 -24.500 -16.358 -15.830 465 HA ALA 61 HA ALA 61 -25.531 -13.718 -15.019 466 1HB ALA 61 HB1 ALA 61 -22.803 -14.637 -15.980 467 2HB ALA 61 HB3 ALA 61 -23.213 -12.955 -15.644 468 3HB ALA 61 HB2 ALA 61 -23.250 -14.148 -14.343 469 H ILE 62 HN ILE 62 -26.563 -12.500 -16.485 470 HA ILE 62 HA ILE 62 -26.241 -13.084 -19.364 471 HB ILE 62 HB ILE 62 -28.347 -11.451 -17.932 472 1HG1 ILE 62 HG12 ILE 62 -28.510 -14.241 -19.103 473 2HG1 ILE 62 HG11 ILE 62 -28.449 -13.863 -17.387 474 1HG2 ILE 62 HG22 ILE 62 -27.636 -11.742 -20.734 475 2HG2 ILE 62 HG21 ILE 62 -29.290 -12.271 -20.430 476 3HG2 ILE 62 HG23 ILE 62 -28.793 -10.642 -19.974 477 1HD1 ILE 62 HD11 ILE 62 -30.553 -12.524 -17.687 478 2HD1 ILE 62 HD13 ILE 62 -30.637 -13.141 -19.338 479 3HD1 ILE 62 HD12 ILE 62 -30.740 -14.256 -17.973 480 H CYS 63 HN CYS 63 -25.219 -11.674 -20.659 481 HA CYS 63 HA CYS 63 -24.553 -8.987 -19.598 482 1HB CYS 63 HB2 CYS 63 -22.724 -10.868 -19.731 483 2HB CYS 63 HB1 CYS 63 -22.707 -10.455 -21.441 484 HG CYS 63 HG CYS 63 -22.395 -7.904 -20.026 485 H GLU 64 HN GLU 64 -24.714 -7.289 -20.967 486 HA GLU 64 HA GLU 64 -25.451 -7.734 -23.806 487 1HB GLU 64 HB2 GLU 64 -26.794 -5.601 -22.154 488 2HB GLU 64 HB1 GLU 64 -27.302 -6.297 -23.687 489 1HG GLU 64 HG2 GLU 64 -27.832 -8.420 -22.541 490 2HG GLU 64 HG1 GLU 64 -27.339 -7.706 -21.005 491 H VAL 65 HN VAL 65 -25.254 -5.623 -25.051 492 HA VAL 65 HA VAL 65 -22.842 -4.172 -24.123 493 HB VAL 65 HB VAL 65 -23.995 -3.956 -26.894 494 1HG1 VAL 65 HG11 VAL 65 -21.326 -3.535 -25.588 495 2HG1 VAL 65 HG13 VAL 65 -21.416 -3.889 -27.313 496 3HG1 VAL 65 HG12 VAL 65 -22.228 -2.464 -26.666 497 1HG2 VAL 65 HG21 VAL 65 -22.472 -6.275 -25.745 498 2HG2 VAL 65 HG23 VAL 65 -23.897 -6.288 -26.786 499 3HG2 VAL 65 HG22 VAL 65 -22.319 -5.847 -27.448 500 H ALA 66 HN ALA 66 -22.771 -1.875 -24.182 501 HA ALA 66 HA ALA 66 -25.360 -0.461 -24.438 502 1HB ALA 66 HB2 ALA 66 -23.477 -0.462 -22.102 503 2HB ALA 66 HB1 ALA 66 -24.458 0.965 -22.451 504 3HB ALA 66 HB3 ALA 66 -25.234 -0.586 -22.116 505 H LEU 67 HN LEU 67 -25.108 0.836 -26.053 506 HA LEU 67 HA LEU 67 -22.585 2.336 -26.449 507 1HB LEU 67 HB2 LEU 67 -24.553 1.089 -28.315 508 2HB LEU 67 HB1 LEU 67 -23.769 2.576 -28.822 509 HG LEU 67 HG LEU 67 -22.241 0.192 -27.799 510 1HD1 LEU 67 HD12 LEU 67 -23.458 0.657 -30.446 511 2HD1 LEU 67 HD11 LEU 67 -21.763 0.154 -30.466 512 3HD1 LEU 67 HD13 LEU 67 -22.972 -0.847 -29.661 513 1HD2 LEU 67 HD23 LEU 67 -21.534 2.862 -28.769 514 2HD2 LEU 67 HD22 LEU 67 -20.594 1.712 -27.812 515 3HD2 LEU 67 HD21 LEU 67 -20.645 1.563 -29.569 516 H ASP 68 HN ASP 68 -26.164 2.583 -26.551 517 HA ASP 68 HA ASP 68 -26.068 5.472 -26.873 518 1HB ASP 68 HB2 ASP 68 -27.847 3.670 -27.736 519 2HB ASP 68 HB1 ASP 68 -28.611 4.052 -26.196 520 H TYR 69 HN TYR 69 -24.752 4.663 -24.546 521 HA TYR 69 HA TYR 69 -26.487 5.763 -22.399 522 1HB TYR 69 HB2 TYR 69 -25.756 3.257 -22.229 523 2HB TYR 69 HB1 TYR 69 -24.160 3.904 -21.894 524 HD1 TYR 69 HD1 TYR 69 -27.705 4.344 -20.779 525 HD2 TYR 69 HD2 TYR 69 -23.574 4.260 -19.690 526 HE1 TYR 69 HE1 TYR 69 -28.323 4.649 -18.410 527 HE2 TYR 69 HE2 TYR 69 -24.199 4.570 -17.325 528 HH TYR 69 HH TYR 69 -27.394 4.219 -16.193 529 H LYS 70 HN LYS 70 -24.746 6.407 -20.515 530 HA LYS 70 HA LYS 70 -23.133 8.552 -21.640 531 1HB LYS 70 HB2 LYS 70 -23.414 7.575 -18.778 532 2HB LYS 70 HB1 LYS 70 -22.614 9.062 -19.278 533 1HG LYS 70 HG2 LYS 70 -24.586 10.157 -19.669 534 2HG LYS 70 HG1 LYS 70 -25.437 8.695 -20.157 535 1HD LYS 70 HD2 LYS 70 -25.545 7.965 -17.819 536 2HD LYS 70 HD1 LYS 70 -24.644 9.394 -17.325 537 1HE LYS 70 HE2 LYS 70 -26.448 10.849 -17.949 538 2HE LYS 70 HE1 LYS 70 -27.313 9.532 -18.735 539 1HZ LYS 70 HZ3 LYS 70 -26.877 8.707 -16.139 540 2HZ LYS 70 HZ2 LYS 70 -27.379 10.335 -16.028 541 3HZ LYS 70 HZ1 LYS 70 -28.347 9.187 -16.840 542 H LYS 71 HN LYS 71 -22.040 6.780 -22.898 543 HA LYS 71 HA LYS 71 -20.129 5.116 -21.501 544 1HB LYS 71 HB2 LYS 71 -19.635 4.275 -23.795 545 2HB LYS 71 HB1 LYS 71 -21.329 4.149 -23.341 546 1HG LYS 71 HG2 LYS 71 -21.981 5.503 -25.017 547 2HG LYS 71 HG1 LYS 71 -20.740 6.692 -24.651 548 1HD LYS 71 HD2 LYS 71 -19.107 5.526 -25.961 549 2HD LYS 71 HD1 LYS 71 -20.162 4.127 -26.130 550 1HE LYS 71 HE2 LYS 71 -20.015 5.627 -28.161 551 2HE LYS 71 HE1 LYS 71 -21.646 5.288 -27.592 552 1HZ LYS 71 HZ3 LYS 71 -20.136 7.739 -26.873 553 2HZ LYS 71 HZ2 LYS 71 -21.209 7.642 -28.193 554 3HZ LYS 71 HZ1 LYS 71 -21.789 7.425 -26.606 555 H LYS 72 HN LYS 72 -18.025 4.846 -22.331 556 HA LYS 72 HA LYS 72 -16.582 7.145 -23.390 557 1HB LYS 72 HB2 LYS 72 -16.610 6.943 -20.695 558 2HB LYS 72 HB1 LYS 72 -15.354 5.757 -21.025 559 1HG LYS 72 HG2 LYS 72 -15.173 8.405 -22.388 560 2HG LYS 72 HG1 LYS 72 -14.810 8.340 -20.668 561 1HD LYS 72 HD2 LYS 72 -13.506 6.228 -22.289 562 2HD LYS 72 HD1 LYS 72 -12.992 7.866 -22.658 563 1HE LYS 72 HE2 LYS 72 -11.511 7.039 -20.986 564 2HE LYS 72 HE1 LYS 72 -12.568 8.202 -20.195 565 1HZ LYS 72 HZ2 LYS 72 -12.965 5.258 -20.151 566 2HZ LYS 72 HZ1 LYS 72 -12.235 6.163 -18.906 567 3HZ LYS 72 HZ3 LYS 72 -13.867 6.420 -19.293 568 H LYS 73 HN LYS 73 -16.317 5.967 -25.213 569 HA LYS 73 HA LYS 73 -15.193 4.602 -26.657 570 1HB LYS 73 HB2 LYS 73 -14.053 3.206 -24.215 571 2HB LYS 73 HB1 LYS 73 -13.704 2.761 -25.874 572 1HG LYS 73 HG2 LYS 73 -13.259 5.577 -24.892 573 2HG LYS 73 HG1 LYS 73 -12.038 4.326 -24.696 574 1HD LYS 73 HD2 LYS 73 -12.669 3.996 -27.323 575 2HD LYS 73 HD1 LYS 73 -12.955 5.725 -27.143 576 1HE LYS 73 HE2 LYS 73 -10.658 5.317 -27.858 577 2HE LYS 73 HE1 LYS 73 -10.678 6.005 -26.236 578 1HZ LYS 73 HZ2 LYS 73 -10.755 3.144 -26.237 579 2HZ LYS 73 HZ1 LYS 73 -9.359 3.759 -26.995 580 3HZ LYS 73 HZ3 LYS 73 -9.728 4.210 -25.390 581 H HIS 74 HN HIS 74 -16.250 2.498 -23.925 582 HA HIS 74 HA HIS 74 -18.541 1.544 -25.384 583 1HB HIS 74 HB2 HIS 74 -16.018 0.197 -25.784 584 2HB HIS 74 HB1 HIS 74 -17.119 -0.883 -24.941 585 HD1 HIS 74 HD1 HIS 74 -16.298 0.341 -28.229 586 HD2 HIS 74 HD2 HIS 74 -19.681 -1.224 -26.424 587 HE1 HIS 74 HE1 HIS 74 -17.779 -0.376 -30.125 588 H VAL 75 HN VAL 75 -20.045 0.706 -24.024 589 HA VAL 75 HA VAL 75 -19.226 -0.054 -21.272 590 HB VAL 75 HB VAL 75 -21.702 1.448 -22.175 591 1HG1 VAL 75 HG11 VAL 75 -20.975 0.423 -19.429 592 2HG1 VAL 75 HG13 VAL 75 -22.258 1.591 -19.760 593 3HG1 VAL 75 HG12 VAL 75 -22.368 -0.044 -20.403 594 1HG2 VAL 75 HG22 VAL 75 -19.659 2.824 -22.008 595 2HG2 VAL 75 HG21 VAL 75 -20.893 3.277 -20.831 596 3HG2 VAL 75 HG23 VAL 75 -19.493 2.330 -20.323 597 H PHE 76 HN PHE 76 -20.484 -1.771 -20.323 598 HA PHE 76 HA PHE 76 -22.338 -3.194 -22.093 599 1HB PHE 76 HB2 PHE 76 -21.298 -5.337 -21.804 600 2HB PHE 76 HB1 PHE 76 -20.143 -4.229 -22.510 601 HD1 PHE 76 HD2 PHE 76 -21.042 -6.101 -19.468 602 HD2 PHE 76 HD1 PHE 76 -18.111 -3.654 -21.382 603 HE1 PHE 76 HE2 PHE 76 -19.432 -6.643 -17.690 604 HE2 PHE 76 HE1 PHE 76 -16.492 -4.192 -19.597 605 HZ PHE 76 HZ PHE 76 -17.094 -5.880 -17.872 606 H LYS 77 HN LYS 77 -23.917 -4.252 -21.094 607 HA LYS 77 HA LYS 77 -24.358 -3.616 -18.277 608 1HB LYS 77 HB2 LYS 77 -26.054 -3.331 -20.222 609 2HB LYS 77 HB1 LYS 77 -26.265 -5.072 -20.101 610 1HG LYS 77 HG2 LYS 77 -27.560 -4.885 -18.283 611 2HG LYS 77 HG1 LYS 77 -26.403 -3.832 -17.486 612 1HD LYS 77 HD2 LYS 77 -28.032 -2.284 -17.650 613 2HD LYS 77 HD1 LYS 77 -27.462 -2.105 -19.304 614 1HE LYS 77 HE2 LYS 77 -29.682 -3.991 -18.479 615 2HE LYS 77 HE1 LYS 77 -29.950 -2.358 -19.074 616 1HZ LYS 77 HZ1 LYS 77 -28.312 -3.484 -20.941 617 2HZ LYS 77 HZ3 LYS 77 -29.367 -4.747 -20.527 618 3HZ LYS 77 HZ2 LYS 77 -29.996 -3.254 -21.075 619 H LEU 78 HN LEU 78 -24.500 -5.111 -16.685 620 HA LEU 78 HA LEU 78 -24.163 -7.969 -17.348 621 1HB LEU 78 HB2 LEU 78 -22.008 -6.839 -16.660 622 2HB LEU 78 HB1 LEU 78 -22.740 -6.523 -15.100 623 HG LEU 78 HG LEU 78 -22.505 -8.649 -14.419 624 1HD1 LEU 78 HD11 LEU 78 -22.888 -9.580 -17.259 625 2HD1 LEU 78 HD13 LEU 78 -22.558 -10.658 -15.904 626 3HD1 LEU 78 HD12 LEU 78 -24.039 -9.715 -15.928 627 1HD2 LEU 78 HD21 LEU 78 -20.262 -7.969 -15.052 628 2HD2 LEU 78 HD23 LEU 78 -20.469 -9.707 -15.271 629 3HD2 LEU 78 HD22 LEU 78 -20.509 -8.629 -16.669 630 H ARG 79 HN ARG 79 -26.037 -8.829 -16.743 631 HA ARG 79 HA ARG 79 -27.348 -7.929 -14.245 632 1HB ARG 79 HB2 ARG 79 -28.413 -9.273 -16.732 633 2HB ARG 79 HB1 ARG 79 -29.354 -9.074 -15.257 634 1HG ARG 79 HG2 ARG 79 -29.562 -6.800 -15.524 635 2HG ARG 79 HG1 ARG 79 -28.025 -6.649 -16.368 636 1HD ARG 79 HD2 ARG 79 -30.005 -6.243 -17.827 637 2HD ARG 79 HD1 ARG 79 -28.968 -7.557 -18.391 638 HE ARG 79 HE ARG 79 -31.288 -8.277 -16.707 639 1HH1 ARG 79 HH21 ARG 79 -30.683 -7.392 -19.956 640 2HH1 ARG 79 HH22 ARG 79 -31.393 -8.819 -20.660 641 1HH2 ARG 79 HH11 ARG 79 -31.846 -10.457 -17.573 642 2HH2 ARG 79 HH12 ARG 79 -32.038 -10.576 -19.309 643 H LEU 80 HN LEU 80 -26.916 -9.193 -12.596 644 HA LEU 80 HA LEU 80 -26.226 -12.022 -12.953 645 1HB LEU 80 HB2 LEU 80 -26.273 -10.374 -10.413 646 2HB LEU 80 HB1 LEU 80 -25.523 -11.953 -10.645 647 HG LEU 80 HG LEU 80 -24.709 -9.388 -12.037 648 1HD1 LEU 80 HD12 LEU 80 -23.424 -10.961 -9.808 649 2HD1 LEU 80 HD11 LEU 80 -22.635 -9.650 -10.689 650 3HD1 LEU 80 HD13 LEU 80 -24.069 -9.324 -9.723 651 1HD2 LEU 80 HD21 LEU 80 -23.723 -12.227 -12.251 652 2HD2 LEU 80 HD23 LEU 80 -24.184 -11.110 -13.543 653 3HD2 LEU 80 HD22 LEU 80 -22.690 -10.852 -12.647 654 H SER 81 HN SER 81 -27.454 -13.694 -12.272 655 HA SER 81 HA SER 81 -30.264 -13.360 -12.008 656 1HB SER 81 HB2 SER 81 -29.923 -15.922 -11.239 657 2HB SER 81 HB1 SER 81 -29.864 -15.394 -12.918 658 HG SER 81 HG SER 81 -27.781 -15.782 -12.992 659 H ASP 82 HN ASP 82 -27.769 -13.229 -9.672 660 HA ASP 82 HA ASP 82 -29.132 -14.165 -7.356 661 1HB ASP 82 HB2 ASP 82 -26.679 -13.837 -7.457 662 2HB ASP 82 HB1 ASP 82 -26.920 -12.097 -7.579 663 H GLY 83 HN GLY 83 -29.175 -11.165 -9.116 664 1HA GLY 83 HA2 GLY 83 -31.198 -9.794 -8.967 665 2HA GLY 83 HA1 GLY 83 -31.135 -10.005 -7.218 666 H ASN 84 HN ASN 84 -28.798 -9.081 -9.778 667 HA ASN 84 HA ASN 84 -28.336 -6.473 -8.524 668 1HB ASN 84 HB2 ASN 84 -26.246 -8.648 -8.796 669 2HB ASN 84 HB1 ASN 84 -25.790 -6.946 -8.810 670 1HD2 ASN 84 HD22 ASN 84 -25.769 -8.461 -5.321 671 2HD2 ASN 84 HD21 ASN 84 -25.183 -9.058 -6.839 672 H GLU 85 HN GLU 85 -27.663 -4.948 -10.014 673 HA GLU 85 HA GLU 85 -27.232 -5.815 -12.821 674 1HB GLU 85 HB2 GLU 85 -29.086 -3.653 -11.794 675 2HB GLU 85 HB1 GLU 85 -28.597 -3.793 -13.481 676 1HG GLU 85 HG2 GLU 85 -29.573 -6.044 -13.584 677 2HG GLU 85 HG1 GLU 85 -30.046 -5.925 -11.894 678 H TYR 86 HN TYR 86 -25.312 -5.062 -13.496 679 HA TYR 86 HA TYR 86 -24.327 -2.452 -12.475 680 1HB TYR 86 HB2 TYR 86 -22.597 -4.846 -13.123 681 2HB TYR 86 HB1 TYR 86 -22.074 -3.315 -12.437 682 HD1 TYR 86 HD1 TYR 86 -23.613 -2.730 -10.202 683 HD2 TYR 86 HD2 TYR 86 -22.509 -6.589 -11.633 684 HE1 TYR 86 HE1 TYR 86 -23.935 -3.667 -7.945 685 HE2 TYR 86 HE2 TYR 86 -22.807 -7.518 -9.384 686 HH TYR 86 HH TYR 86 -23.666 -7.138 -7.326 687 H LEU 87 HN LEU 87 -23.213 -1.169 -13.866 688 HA LEU 87 HA LEU 87 -23.225 -1.890 -16.747 689 1HB LEU 87 HB2 LEU 87 -23.085 0.877 -15.503 690 2HB LEU 87 HB1 LEU 87 -23.187 0.506 -17.217 691 HG LEU 87 HG LEU 87 -25.307 0.108 -15.109 692 1HD1 LEU 87 HD11 LEU 87 -24.829 2.380 -16.290 693 2HD1 LEU 87 HD13 LEU 87 -25.595 1.622 -17.690 694 3HD1 LEU 87 HD12 LEU 87 -26.490 1.804 -16.180 695 1HD2 LEU 87 HD21 LEU 87 -25.234 -0.851 -17.977 696 2HD2 LEU 87 HD23 LEU 87 -25.472 -1.816 -16.518 697 3HD2 LEU 87 HD22 LEU 87 -26.719 -0.686 -17.038 698 H PHE 88 HN PHE 88 -21.231 -2.521 -17.344 699 HA PHE 88 HA PHE 88 -18.890 -1.479 -15.889 700 1HB PHE 88 HB2 PHE 88 -19.422 -3.979 -17.439 701 2HB PHE 88 HB1 PHE 88 -17.774 -3.455 -17.117 702 HD1 PHE 88 HD1 PHE 88 -17.166 -2.982 -14.642 703 HD2 PHE 88 HD2 PHE 88 -20.565 -5.274 -15.849 704 HE1 PHE 88 HE1 PHE 88 -17.244 -4.029 -12.420 705 HE2 PHE 88 HE2 PHE 88 -20.642 -6.314 -13.613 706 HZ PHE 88 HZ PHE 88 -18.990 -5.700 -11.906 707 H GLN 89 HN GLN 89 -17.409 -0.270 -16.871 708 HA GLN 89 HA GLN 89 -17.651 0.254 -19.784 709 1HB GLN 89 HB2 GLN 89 -18.120 2.170 -18.249 710 2HB GLN 89 HB1 GLN 89 -16.490 2.015 -17.634 711 1HG GLN 89 HG2 GLN 89 -15.924 2.209 -20.260 712 2HG GLN 89 HG1 GLN 89 -17.436 3.110 -20.225 713 1HE2 GLN 89 HE22 GLN 89 -16.159 5.804 -18.330 714 2HE2 GLN 89 HE21 GLN 89 -17.595 4.943 -18.812 715 H ALA 90 HN ALA 90 -16.002 -0.352 -21.016 716 HA ALA 90 HA ALA 90 -13.441 -1.199 -19.784 717 1HB ALA 90 HB3 ALA 90 -14.774 -1.928 -22.407 718 2HB ALA 90 HB2 ALA 90 -13.147 -2.433 -21.953 719 3HB ALA 90 HB1 ALA 90 -14.530 -2.973 -21.007 720 H LYS 91 HN LYS 91 -11.530 -0.942 -21.387 721 HA LYS 91 HA LYS 91 -11.282 1.884 -21.975 722 1HB LYS 91 HB2 LYS 91 -8.981 1.467 -22.355 723 2HB LYS 91 HB1 LYS 91 -9.454 0.452 -20.997 724 1HG LYS 91 HG2 LYS 91 -9.778 -1.424 -22.723 725 2HG LYS 91 HG1 LYS 91 -8.908 -0.382 -23.844 726 1HD LYS 91 HD2 LYS 91 -7.005 -0.297 -22.295 727 2HD LYS 91 HD1 LYS 91 -7.876 -1.333 -21.170 728 1HE LYS 91 HE2 LYS 91 -7.806 -2.554 -23.789 729 2HE LYS 91 HE1 LYS 91 -6.175 -2.127 -23.293 730 1HZ LYS 91 HZ3 LYS 91 -7.835 -3.421 -21.285 731 2HZ LYS 91 HZ2 LYS 91 -7.371 -4.386 -22.613 732 3HZ LYS 91 HZ1 LYS 91 -6.179 -3.638 -21.642 733 H ASP 92 HN ASP 92 -11.618 -1.076 -23.878 734 HA ASP 92 HA ASP 92 -12.437 0.497 -26.171 735 1HB ASP 92 HB2 ASP 92 -9.720 -0.206 -26.040 736 2HB ASP 92 HB1 ASP 92 -10.427 -1.368 -27.154 737 H ASP 93 HN ASP 93 -12.617 -1.168 -28.146 738 HA ASP 93 HA ASP 93 -14.769 -2.870 -27.489 739 1HB ASP 93 HB2 ASP 93 -14.755 -3.548 -29.819 740 2HB ASP 93 HB1 ASP 93 -14.496 -1.812 -29.690 741 H GLU 94 HN GLU 94 -11.351 -3.656 -28.054 742 HA GLU 94 HA GLU 94 -11.606 -6.468 -28.179 743 1HB GLU 94 HB2 GLU 94 -9.238 -4.994 -27.027 744 2HB GLU 94 HB1 GLU 94 -9.255 -6.598 -27.737 745 1HG GLU 94 HG2 GLU 94 -9.429 -5.785 -29.914 746 2HG GLU 94 HG1 GLU 94 -10.064 -4.224 -29.402 747 H GLU 95 HN GLU 95 -10.824 -4.358 -25.436 748 HA GLU 95 HA GLU 95 -10.683 -6.329 -23.426 749 1HB GLU 95 HB2 GLU 95 -10.073 -3.754 -23.474 750 2HB GLU 95 HB1 GLU 95 -11.696 -3.585 -22.821 751 1HG GLU 95 HG2 GLU 95 -11.077 -5.211 -21.023 752 2HG GLU 95 HG1 GLU 95 -9.428 -5.194 -21.638 753 H MET 96 HN MET 96 -13.382 -4.285 -24.515 754 HA MET 96 HA MET 96 -15.369 -5.068 -22.701 755 1HB MET 96 HB2 MET 96 -15.711 -3.175 -24.139 756 2HB MET 96 HB1 MET 96 -15.531 -4.160 -25.584 757 1HG MET 96 HG2 MET 96 -17.685 -4.971 -23.710 758 2HG MET 96 HG1 MET 96 -17.922 -3.444 -24.550 759 1HE MET 96 HE2 MET 96 -17.358 -3.133 -26.907 760 2HE MET 96 HE1 MET 96 -17.243 -4.376 -28.149 761 3HE MET 96 HE3 MET 96 -18.825 -3.751 -27.668 762 H ASN 97 HN ASN 97 -14.629 -6.387 -25.921 763 HA ASN 97 HA ASN 97 -16.555 -8.447 -25.968 764 1HB ASN 97 HB2 ASN 97 -15.054 -7.432 -27.843 765 2HB ASN 97 HB1 ASN 97 -13.888 -8.659 -27.359 766 1HD2 ASN 97 HD22 ASN 97 -16.236 -9.836 -30.094 767 2HD2 ASN 97 HD21 ASN 97 -15.383 -8.338 -29.855 768 H THR 98 HN THR 98 -13.176 -8.435 -24.859 769 HA THR 98 HA THR 98 -12.974 -11.211 -24.284 770 HB THR 98 HB THR 98 -11.448 -8.939 -22.991 771 HG1 THR 98 HG1 THR 98 -11.129 -8.675 -25.142 772 1HG2 THR 98 HG22 THR 98 -10.769 -11.864 -23.403 773 2HG2 THR 98 HG21 THR 98 -9.646 -10.643 -22.801 774 3HG2 THR 98 HG23 THR 98 -11.080 -11.063 -21.865 775 H TRP 99 HN TRP 99 -13.961 -8.421 -22.316 776 HA TRP 99 HA TRP 99 -14.204 -9.818 -19.843 777 1HB TRP 99 HB2 TRP 99 -15.141 -7.181 -20.916 778 2HB TRP 99 HB1 TRP 99 -15.886 -7.789 -19.445 779 HD1 TRP 99 HD1 TRP 99 -13.129 -5.593 -20.392 780 HE1 TRP 99 HE1 TRP 99 -11.392 -5.428 -18.511 781 HE3 TRP 99 HE3 TRP 99 -14.562 -9.572 -17.485 782 HZ2 TRP 99 HZ2 TRP 99 -10.712 -6.751 -16.144 783 HZ3 TRP 99 HZ3 TRP 99 -13.317 -10.051 -15.415 784 HH2 TRP 99 HH2 TRP 99 -11.409 -8.653 -14.751 785 H ILE 100 HN ILE 100 -16.607 -8.898 -22.316 786 HA ILE 100 HA ILE 100 -18.887 -10.016 -21.119 787 HB ILE 100 HB ILE 100 -18.135 -9.517 -23.996 788 1HG1 ILE 100 HG12 ILE 100 -20.142 -8.115 -22.220 789 2HG1 ILE 100 HG11 ILE 100 -18.474 -7.594 -22.404 790 1HG2 ILE 100 HG21 ILE 100 -20.665 -10.695 -22.882 791 2HG2 ILE 100 HG23 ILE 100 -20.704 -9.697 -24.335 792 3HG2 ILE 100 HG22 ILE 100 -19.744 -11.177 -24.310 793 1HD1 ILE 100 HD11 ILE 100 -19.042 -7.640 -24.970 794 2HD1 ILE 100 HD13 ILE 100 -20.707 -7.534 -24.396 795 3HD1 ILE 100 HD12 ILE 100 -19.555 -6.271 -23.977 796 H GLN 101 HN GLN 101 -16.463 -11.489 -23.265 797 HA GLN 101 HA GLN 101 -17.712 -14.001 -23.637 798 1HB GLN 101 HB2 GLN 101 -14.885 -13.006 -23.837 799 2HB GLN 101 HB1 GLN 101 -15.214 -14.732 -23.964 800 1HG GLN 101 HG2 GLN 101 -16.733 -14.338 -25.836 801 2HG GLN 101 HG1 GLN 101 -16.490 -12.596 -25.691 802 1HE2 GLN 101 HE22 GLN 101 -13.730 -12.710 -27.829 803 2HE2 GLN 101 HE21 GLN 101 -15.138 -11.880 -27.227 804 H ALA 102 HN ALA 102 -15.292 -12.937 -21.246 805 HA ALA 102 HA ALA 102 -15.011 -15.407 -19.887 806 1HB ALA 102 HB2 ALA 102 -14.544 -12.549 -19.006 807 2HB ALA 102 HB1 ALA 102 -14.171 -13.941 -17.987 808 3HB ALA 102 HB3 ALA 102 -13.346 -13.733 -19.533 809 H ILE 103 HN ILE 103 -17.125 -12.616 -19.284 810 HA ILE 103 HA ILE 103 -18.373 -13.656 -16.948 811 HB ILE 103 HB ILE 103 -19.110 -11.538 -18.962 812 1HG1 ILE 103 HG12 ILE 103 -18.632 -11.062 -16.054 813 2HG1 ILE 103 HG11 ILE 103 -17.246 -11.421 -17.075 814 1HG2 ILE 103 HG23 ILE 103 -20.711 -12.451 -16.573 815 2HG2 ILE 103 HG22 ILE 103 -20.849 -10.829 -17.252 816 3HG2 ILE 103 HG21 ILE 103 -21.253 -12.231 -18.240 817 1HD1 ILE 103 HD11 ILE 103 -19.054 -9.405 -18.212 818 2HD1 ILE 103 HD13 ILE 103 -18.308 -8.926 -16.689 819 3HD1 ILE 103 HD12 ILE 103 -17.297 -9.393 -18.054 820 H SER 104 HN SER 104 -18.981 -14.104 -20.387 821 HA SER 104 HA SER 104 -21.592 -15.213 -20.154 822 1HB SER 104 HB2 SER 104 -19.505 -15.486 -22.324 823 2HB SER 104 HB1 SER 104 -21.157 -16.072 -22.451 824 HG SER 104 HG SER 104 -20.363 -13.367 -22.022 825 H SER 105 HN SER 105 -18.333 -16.720 -20.282 826 HA SER 105 HA SER 105 -19.385 -19.078 -18.928 827 1HB SER 105 HB2 SER 105 -18.217 -19.329 -21.713 828 2HB SER 105 HB1 SER 105 -18.663 -20.665 -20.654 829 HG SER 105 HG SER 105 -20.752 -18.992 -20.863 830 H ALA 106 HN ALA 106 -17.637 -17.640 -17.634 831 HA ALA 106 HA ALA 106 -14.871 -18.277 -18.258 832 1HB ALA 106 HB3 ALA 106 -16.281 -16.838 -16.038 833 2HB ALA 106 HB2 ALA 106 -14.644 -17.430 -15.755 834 3HB ALA 106 HB1 ALA 106 -14.952 -16.298 -17.067 No H/Q in entry = 834 Start of MODEL 19 1 1H MET 1 HT3 MET 1 -9.891 -14.102 -15.427 2 2H MET 1 HT2 MET 1 -11.284 -14.250 -16.400 3 3H MET 1 HT1 MET 1 -9.730 -14.503 -17.067 4 HA MET 1 HA MET 1 -9.326 -12.368 -17.373 5 1HB MET 1 HB2 MET 1 -12.036 -12.854 -17.755 6 2HB MET 1 HB1 MET 1 -12.026 -11.385 -16.788 7 1HG MET 1 HG2 MET 1 -10.557 -11.822 -19.397 8 2HG MET 1 HG1 MET 1 -11.997 -10.842 -19.166 9 1HE MET 1 HE1 MET 1 -11.162 -8.615 -20.110 10 2HE MET 1 HE3 MET 1 -9.554 -7.944 -19.808 11 3HE MET 1 HE2 MET 1 -9.730 -9.465 -20.680 12 H GLU 2 HN GLU 2 -8.430 -10.719 -16.310 13 HA GLU 2 HA GLU 2 -9.520 -9.733 -13.787 14 1HB GLU 2 HB2 GLU 2 -8.151 -10.940 -12.503 15 2HB GLU 2 HB1 GLU 2 -7.293 -11.570 -13.883 16 1HG GLU 2 HG2 GLU 2 -6.668 -8.799 -12.966 17 2HG GLU 2 HG1 GLU 2 -6.064 -10.152 -12.032 18 H GLY 3 HN GLY 3 -9.133 -7.602 -13.496 19 1HA GLY 3 HA2 GLY 3 -7.081 -5.985 -14.257 20 2HA GLY 3 HA1 GLY 3 -8.049 -6.109 -15.723 21 H PHE 4 HN PHE 4 -7.899 -3.676 -14.943 22 HA PHE 4 HA PHE 4 -9.807 -2.867 -12.933 23 1HB PHE 4 HB2 PHE 4 -8.141 -1.410 -14.968 24 2HB PHE 4 HB1 PHE 4 -9.402 -0.572 -14.077 25 HD1 PHE 4 HD1 PHE 4 -9.361 -0.844 -11.483 26 HD2 PHE 4 HD2 PHE 4 -6.002 -1.520 -14.037 27 HE1 PHE 4 HE1 PHE 4 -7.841 -0.502 -9.582 28 HE2 PHE 4 HE2 PHE 4 -4.481 -1.165 -12.132 29 HZ PHE 4 HZ PHE 4 -5.401 -0.651 -9.902 30 H LEU 5 HN LEU 5 -11.780 -1.884 -13.244 31 HA LEU 5 HA LEU 5 -12.994 -1.667 -15.891 32 1HB LEU 5 HB2 LEU 5 -13.549 -3.897 -14.032 33 2HB LEU 5 HB1 LEU 5 -14.985 -3.026 -14.545 34 HG LEU 5 HG LEU 5 -12.944 -4.299 -16.361 35 1HD1 LEU 5 HD12 LEU 5 -15.702 -5.102 -15.488 36 2HD1 LEU 5 HD11 LEU 5 -14.968 -5.727 -16.966 37 3HD1 LEU 5 HD13 LEU 5 -14.202 -6.026 -15.407 38 1HD2 LEU 5 HD22 LEU 5 -15.319 -2.562 -16.926 39 2HD2 LEU 5 HD21 LEU 5 -13.715 -2.549 -17.666 40 3HD2 LEU 5 HD23 LEU 5 -14.858 -3.827 -18.067 41 H ASN 6 HN ASN 6 -14.747 -0.249 -15.863 42 HA ASN 6 HA ASN 6 -15.085 1.333 -13.413 43 1HB ASN 6 HB2 ASN 6 -15.205 1.923 -16.195 44 2HB ASN 6 HB1 ASN 6 -16.814 2.188 -15.540 45 1HD2 ASN 6 HD22 ASN 6 -13.851 4.791 -14.740 46 2HD2 ASN 6 HD21 ASN 6 -13.644 3.417 -15.786 47 H ARG 7 HN ARG 7 -16.517 0.674 -11.967 48 HA ARG 7 HA ARG 7 -18.796 -1.013 -12.834 49 1HB ARG 7 HB2 ARG 7 -17.157 -1.977 -11.247 50 2HB ARG 7 HB1 ARG 7 -17.540 -0.699 -10.098 51 1HG ARG 7 HG2 ARG 7 -19.966 -1.513 -10.237 52 2HG ARG 7 HG1 ARG 7 -19.329 -2.920 -11.077 53 1HD ARG 7 HD2 ARG 7 -18.957 -3.855 -9.072 54 2HD ARG 7 HD1 ARG 7 -17.692 -2.659 -8.819 55 HE ARG 7 HE ARG 7 -20.390 -2.636 -7.673 56 1HH1 ARG 7 HH21 ARG 7 -19.557 0.196 -8.622 57 2HH1 ARG 7 HH22 ARG 7 -18.901 0.847 -7.148 58 1HH2 ARG 7 HH11 ARG 7 -18.560 -2.317 -5.622 59 2HH2 ARG 7 HH12 ARG 7 -18.310 -0.602 -5.441 60 H LYS 8 HN LYS 8 -20.787 -0.315 -12.653 61 HA LYS 8 HA LYS 8 -21.508 1.799 -10.736 62 1HB LYS 8 HB2 LYS 8 -21.127 2.922 -12.882 63 2HB LYS 8 HB1 LYS 8 -22.236 1.826 -13.680 64 1HG LYS 8 HG2 LYS 8 -23.547 3.029 -11.410 65 2HG LYS 8 HG1 LYS 8 -22.811 4.297 -12.386 66 1HD LYS 8 HD2 LYS 8 -24.132 3.849 -14.232 67 2HD LYS 8 HD1 LYS 8 -24.355 2.158 -13.783 68 1HE LYS 8 HE2 LYS 8 -26.428 3.540 -13.554 69 2HE LYS 8 HE1 LYS 8 -25.942 2.720 -12.072 70 1HZ LYS 8 HZ2 LYS 8 -25.000 5.466 -12.513 71 2HZ LYS 8 HZ1 LYS 8 -26.632 5.227 -12.084 72 3HZ LYS 8 HZ3 LYS 8 -25.396 4.658 -11.061 73 H HIS 9 HN HIS 9 -22.809 0.620 -9.452 74 HA HIS 9 HA HIS 9 -24.507 -1.486 -10.440 75 1HB HIS 9 HB2 HIS 9 -25.469 -1.243 -7.991 76 2HB HIS 9 HB1 HIS 9 -23.936 -2.018 -8.290 77 HD1 HIS 9 HD1 HIS 9 -23.358 -1.483 -5.801 78 HD2 HIS 9 HD2 HIS 9 -23.720 1.855 -8.226 79 HE1 HIS 9 HE1 HIS 9 -22.295 0.382 -4.509 80 H GLU 10 HN GLU 10 -26.320 -1.150 -11.481 81 HA GLU 10 HA GLU 10 -27.704 1.380 -11.466 82 1HB GLU 10 HB2 GLU 10 -27.756 -1.120 -13.009 83 2HB GLU 10 HB1 GLU 10 -29.349 -0.426 -12.762 84 1HG GLU 10 HG2 GLU 10 -27.084 1.318 -13.693 85 2HG GLU 10 HG1 GLU 10 -27.948 0.301 -14.842 86 H TRP 11 HN TRP 11 -28.272 -1.856 -10.202 87 HA TRP 11 HA TRP 11 -30.210 -0.841 -8.255 88 1HB TRP 11 HB2 TRP 11 -31.651 -1.507 -10.060 89 2HB TRP 11 HB1 TRP 11 -30.758 -2.998 -10.306 90 HD1 TRP 11 HD1 TRP 11 -33.143 -1.393 -7.663 91 HE1 TRP 11 HE1 TRP 11 -34.400 -3.314 -6.530 92 HE3 TRP 11 HE3 TRP 11 -30.785 -5.387 -9.836 93 HZ2 TRP 11 HZ2 TRP 11 -34.400 -6.128 -6.530 94 HZ3 TRP 11 HZ3 TRP 11 -31.467 -7.670 -9.229 95 HH2 TRP 11 HH2 TRP 11 -33.258 -8.039 -7.589 96 H GLU 12 HN GLU 12 -29.689 -1.682 -6.324 97 HA GLU 12 HA GLU 12 -28.345 -4.292 -6.169 98 1HB GLU 12 HB2 GLU 12 -26.680 -2.365 -6.321 99 2HB GLU 12 HB1 GLU 12 -27.258 -1.869 -4.734 100 1HG GLU 12 HG2 GLU 12 -26.636 -4.138 -3.861 101 2HG GLU 12 HG1 GLU 12 -25.958 -4.508 -5.448 102 H ALA 13 HN ALA 13 -30.764 -4.416 -5.423 103 HA ALA 13 HA ALA 13 -32.220 -4.958 -3.764 104 1HB ALA 13 HB3 ALA 13 -30.329 -6.364 -3.089 105 2HB ALA 13 HB2 ALA 13 -29.729 -5.065 -2.058 106 3HB ALA 13 HB1 ALA 13 -31.277 -5.841 -1.701 107 H HIS 14 HN HIS 14 -30.324 -2.151 -3.158 108 HA HIS 14 HA HIS 14 -31.625 -1.319 -0.737 109 1HB HIS 14 HB2 HIS 14 -29.833 0.115 -2.702 110 2HB HIS 14 HB1 HIS 14 -30.475 0.898 -1.264 111 HD1 HIS 14 HD1 HIS 14 -29.943 -0.651 1.031 112 HD2 HIS 14 HD2 HIS 14 -27.377 -0.962 -2.206 113 HE1 HIS 14 HE1 HIS 14 -27.814 -1.584 1.971 114 H ASN 15 HN ASN 15 -33.595 -1.930 -2.675 115 HA ASN 15 HA ASN 15 -35.605 -1.192 -3.474 116 1HB ASN 15 HB2 ASN 15 -34.960 0.710 -1.305 117 2HB ASN 15 HB1 ASN 15 -36.106 1.335 -2.485 118 1HD2 ASN 15 HD22 ASN 15 -38.697 -0.296 -0.825 119 2HD2 ASN 15 HD21 ASN 15 -38.059 1.146 -1.549 120 H LYS 16 HN LYS 16 -33.952 1.953 -3.290 121 HA LYS 16 HA LYS 16 -34.805 2.733 -5.914 122 1HB LYS 16 HB2 LYS 16 -32.773 3.962 -4.040 123 2HB LYS 16 HB1 LYS 16 -33.390 4.724 -5.500 124 1HG LYS 16 HG2 LYS 16 -35.618 4.824 -4.588 125 2HG LYS 16 HG1 LYS 16 -35.142 3.863 -3.189 126 1HD LYS 16 HD2 LYS 16 -34.003 5.604 -2.191 127 2HD LYS 16 HD1 LYS 16 -33.664 6.407 -3.719 128 1HE LYS 16 HE2 LYS 16 -36.437 6.239 -2.517 129 2HE LYS 16 HE1 LYS 16 -35.336 7.589 -2.239 130 1HZ LYS 16 HZ1 LYS 16 -35.255 7.466 -4.882 131 2HZ LYS 16 HZ3 LYS 16 -36.830 6.861 -4.624 132 3HZ LYS 16 HZ2 LYS 16 -36.400 8.400 -4.025 133 H LYS 17 HN LYS 17 -33.061 3.694 -7.431 134 HA LYS 17 HA LYS 17 -31.389 1.520 -8.321 135 1HB LYS 17 HB2 LYS 17 -31.652 4.356 -9.353 136 2HB LYS 17 HB1 LYS 17 -30.852 3.035 -10.189 137 1HG LYS 17 HG2 LYS 17 -33.729 2.773 -9.353 138 2HG LYS 17 HG1 LYS 17 -33.309 3.660 -10.811 139 1HD LYS 17 HD2 LYS 17 -32.278 0.866 -10.350 140 2HD LYS 17 HD1 LYS 17 -33.883 1.142 -11.018 141 1HE LYS 17 HE2 LYS 17 -32.782 2.581 -12.789 142 2HE LYS 17 HE1 LYS 17 -31.233 2.014 -12.177 143 1HZ LYS 17 HZ1 LYS 17 -33.390 0.243 -13.199 144 2HZ LYS 17 HZ3 LYS 17 -32.032 0.742 -14.095 145 3HZ LYS 17 HZ2 LYS 17 -31.829 -0.232 -12.715 146 H ALA 18 HN ALA 18 -29.456 1.130 -7.472 147 HA ALA 18 HA ALA 18 -27.316 1.348 -6.715 148 1HB ALA 18 HB1 ALA 18 -27.340 3.159 -8.588 149 2HB ALA 18 HB3 ALA 18 -27.348 4.307 -7.251 150 3HB ALA 18 HB2 ALA 18 -26.026 3.150 -7.414 151 H SER 19 HN SER 19 -26.090 3.462 -5.331 152 HA SER 19 HA SER 19 -27.794 3.804 -2.932 153 1HB SER 19 HB2 SER 19 -25.317 3.668 -1.829 154 2HB SER 19 HB1 SER 19 -26.395 2.288 -1.976 155 HG SER 19 HG SER 19 -25.243 1.510 -3.656 156 H SER 20 HN SER 20 -24.585 4.855 -4.123 157 HA SER 20 HA SER 20 -25.396 7.617 -4.334 158 1HB SER 20 HB2 SER 20 -23.565 6.776 -2.065 159 2HB SER 20 HB1 SER 20 -23.705 8.433 -2.642 160 HG SER 20 HG SER 20 -25.830 6.836 -1.594 161 H ARG 21 HN ARG 21 -22.499 5.603 -3.767 162 HA ARG 21 HA ARG 21 -20.800 7.113 -5.505 163 1HB ARG 21 HB2 ARG 21 -20.258 5.456 -3.528 164 2HB ARG 21 HB1 ARG 21 -20.229 4.252 -4.810 165 1HG ARG 21 HG2 ARG 21 -18.584 5.706 -6.027 166 2HG ARG 21 HG1 ARG 21 -18.537 6.755 -4.615 167 1HD ARG 21 HD2 ARG 21 -17.364 4.057 -5.026 168 2HD ARG 21 HD1 ARG 21 -16.754 5.418 -4.086 169 HE ARG 21 HE ARG 21 -18.735 3.407 -3.174 170 1HH1 ARG 21 HH11 ARG 21 -19.489 5.715 -1.600 171 2HH1 ARG 21 HH12 ARG 21 -18.371 5.724 -0.262 172 1HH2 ARG 21 HH21 ARG 21 -16.007 3.678 -1.867 173 2HH2 ARG 21 HH22 ARG 21 -16.373 4.607 -0.434 174 H SER 22 HN SER 22 -21.458 7.282 -7.567 175 HA SER 22 HA SER 22 -22.136 4.830 -9.089 176 1HB SER 22 HB2 SER 22 -22.620 7.682 -9.955 177 2HB SER 22 HB1 SER 22 -23.365 6.208 -10.577 178 HG SER 22 HG SER 22 -23.650 7.100 -7.880 179 H TRP 23 HN TRP 23 -20.850 4.135 -10.655 180 HA TRP 23 HA TRP 23 -19.140 3.887 -12.112 181 1HB TRP 23 HB2 TRP 23 -19.495 6.875 -12.285 182 2HB TRP 23 HB1 TRP 23 -18.182 6.080 -13.140 183 HD1 TRP 23 HD1 TRP 23 -21.515 7.257 -13.887 184 HE1 TRP 23 HE1 TRP 23 -22.573 5.934 -15.803 185 HE3 TRP 23 HE3 TRP 23 -18.362 3.242 -14.009 186 HZ2 TRP 23 HZ2 TRP 23 -22.164 3.496 -17.184 187 HZ3 TRP 23 HZ3 TRP 23 -18.730 1.457 -15.640 188 HH2 TRP 23 HH2 TRP 23 -20.614 1.573 -17.226 189 H HIS 24 HN HIS 24 -17.825 2.939 -10.606 190 HA HIS 24 HA HIS 24 -15.582 4.603 -9.613 191 1HB HIS 24 HB2 HIS 24 -17.126 3.800 -7.792 192 2HB HIS 24 HB1 HIS 24 -16.736 2.146 -8.250 193 HD1 HIS 24 HD1 HIS 24 -15.301 5.148 -6.564 194 HD2 HIS 24 HD2 HIS 24 -14.167 1.276 -7.488 195 HE1 HIS 24 HE1 HIS 24 -13.208 4.753 -5.240 196 H ASN 25 HN ASN 25 -13.638 3.956 -10.294 197 HA ASN 25 HA ASN 25 -13.369 1.692 -12.091 198 1HB ASN 25 HB2 ASN 25 -12.211 3.857 -12.467 199 2HB ASN 25 HB1 ASN 25 -11.277 3.598 -10.999 200 1HD2 ASN 25 HD22 ASN 25 -8.881 2.381 -13.304 201 2HD2 ASN 25 HD21 ASN 25 -9.431 3.779 -12.435 202 H VAL 26 HN VAL 26 -13.641 -0.170 -10.972 203 HA VAL 26 HA VAL 26 -11.916 -0.746 -8.638 204 HB VAL 26 HB VAL 26 -14.480 -0.860 -8.512 205 1HG1 VAL 26 HG12 VAL 26 -14.672 -2.101 -10.717 206 2HG1 VAL 26 HG11 VAL 26 -14.108 -3.531 -9.851 207 3HG1 VAL 26 HG13 VAL 26 -15.612 -2.746 -9.373 208 1HG2 VAL 26 HG22 VAL 26 -12.774 -1.930 -6.933 209 2HG2 VAL 26 HG21 VAL 26 -14.427 -2.542 -6.898 210 3HG2 VAL 26 HG23 VAL 26 -13.173 -3.447 -7.747 211 H TYR 27 HN TYR 27 -11.055 -2.947 -8.494 212 HA TYR 27 HA TYR 27 -10.108 -3.930 -11.109 213 1HB TYR 27 HB2 TYR 27 -8.580 -3.298 -9.131 214 2HB TYR 27 HB1 TYR 27 -9.112 -4.802 -8.403 215 HD1 TYR 27 HD2 TYR 27 -8.711 -6.957 -9.667 216 HD2 TYR 27 HD1 TYR 27 -6.882 -3.265 -10.759 217 HE1 TYR 27 HE2 TYR 27 -7.037 -8.183 -10.978 218 HE2 TYR 27 HE1 TYR 27 -5.189 -4.492 -12.073 219 HH TYR 27 HH TYR 27 -4.585 -7.690 -11.771 220 H CYS 28 HN CYS 28 -11.487 -5.380 -11.935 221 HA CYS 28 HA CYS 28 -12.931 -7.253 -10.208 222 1HB CYS 28 HB2 CYS 28 -13.112 -6.865 -13.201 223 2HB CYS 28 HB1 CYS 28 -14.221 -7.781 -12.186 224 HG CYS 28 HG CYS 28 -14.094 -4.896 -11.296 225 H VAL 29 HN VAL 29 -12.648 -9.405 -10.178 226 HA VAL 29 HA VAL 29 -10.659 -10.677 -11.960 227 HB VAL 29 HB VAL 29 -10.840 -11.016 -8.952 228 1HG1 VAL 29 HG12 VAL 29 -9.352 -12.505 -11.079 229 2HG1 VAL 29 HG11 VAL 29 -8.630 -12.330 -9.478 230 3HG1 VAL 29 HG13 VAL 29 -10.198 -13.122 -9.660 231 1HG2 VAL 29 HG23 VAL 29 -8.927 -9.542 -10.724 232 2HG2 VAL 29 HG22 VAL 29 -9.674 -9.035 -9.209 233 3HG2 VAL 29 HG21 VAL 29 -8.374 -10.223 -9.195 234 H ILE 30 HN ILE 30 -11.745 -12.231 -13.025 235 HA ILE 30 HA ILE 30 -14.122 -13.460 -11.780 236 HB ILE 30 HB ILE 30 -13.203 -13.687 -14.647 237 1HG1 ILE 30 HG12 ILE 30 -15.181 -11.745 -13.434 238 2HG1 ILE 30 HG11 ILE 30 -13.619 -11.332 -14.125 239 1HG2 ILE 30 HG22 ILE 30 -15.799 -14.323 -13.233 240 2HG2 ILE 30 HG21 ILE 30 -15.642 -14.235 -14.988 241 3HG2 ILE 30 HG23 ILE 30 -14.725 -15.439 -14.082 242 1HD1 ILE 30 HD12 ILE 30 -15.923 -12.585 -15.640 243 2HD1 ILE 30 HD11 ILE 30 -15.467 -10.883 -15.705 244 3HD1 ILE 30 HD13 ILE 30 -14.367 -12.117 -16.326 245 H ASN 31 HN ASN 31 -14.072 -15.435 -11.024 246 HA ASN 31 HA ASN 31 -11.938 -17.324 -11.841 247 1HB ASN 31 HB2 ASN 31 -11.714 -16.521 -9.478 248 2HB ASN 31 HB1 ASN 31 -13.317 -17.167 -9.136 249 1HD2 ASN 31 HD22 ASN 31 -11.980 -20.306 -8.389 250 2HD2 ASN 31 HD21 ASN 31 -13.113 -19.039 -8.033 251 H ASN 32 HN ASN 32 -13.694 -17.532 -13.522 252 HA ASN 32 HA ASN 32 -15.256 -18.767 -14.578 253 1HB ASN 32 HB2 ASN 32 -14.720 -20.663 -12.280 254 2HB ASN 32 HB1 ASN 32 -15.745 -21.066 -13.654 255 1HD2 ASN 32 HD22 ASN 32 -13.008 -21.068 -16.001 256 2HD2 ASN 32 HD21 ASN 32 -14.669 -20.582 -15.843 257 H GLN 33 HN GLN 33 -16.560 -20.182 -11.692 258 HA GLN 33 HA GLN 33 -19.136 -18.924 -12.208 259 1HB GLN 33 HB2 GLN 33 -18.226 -21.107 -10.341 260 2HB GLN 33 HB1 GLN 33 -19.877 -20.499 -10.364 261 1HG GLN 33 HG2 GLN 33 -18.930 -21.121 -13.052 262 2HG GLN 33 HG1 GLN 33 -18.810 -22.521 -11.987 263 1HE2 GLN 33 HE22 GLN 33 -22.286 -22.929 -11.605 264 2HE2 GLN 33 HE21 GLN 33 -20.715 -23.290 -10.965 265 H GLU 34 HN GLU 34 -16.547 -17.843 -10.465 266 HA GLU 34 HA GLU 34 -18.269 -16.265 -8.664 267 1HB GLU 34 HB2 GLU 34 -15.801 -17.794 -7.799 268 2HB GLU 34 HB1 GLU 34 -16.631 -16.590 -6.822 269 1HG GLU 34 HG2 GLU 34 -18.685 -17.968 -6.880 270 2HG GLU 34 HG1 GLU 34 -17.827 -19.183 -7.824 271 H MET 35 HN MET 35 -17.595 -14.151 -8.485 272 HA MET 35 HA MET 35 -14.933 -13.461 -9.594 273 1HB MET 35 HB2 MET 35 -15.838 -11.515 -10.671 274 2HB MET 35 HB1 MET 35 -16.749 -12.920 -11.215 275 1HG MET 35 HG2 MET 35 -18.502 -12.359 -9.518 276 2HG MET 35 HG1 MET 35 -17.621 -10.883 -9.158 277 1HE MET 35 HE1 MET 35 -16.899 -9.234 -10.901 278 2HE MET 35 HE3 MET 35 -16.807 -9.965 -12.513 279 3HE MET 35 HE2 MET 35 -17.967 -8.683 -12.186 280 H GLY 36 HN GLY 36 -13.919 -11.655 -8.683 281 1HA GLY 36 HA2 GLY 36 -15.017 -10.712 -6.090 282 2HA GLY 36 HA1 GLY 36 -13.328 -11.157 -6.301 283 H PHE 37 HN PHE 37 -14.757 -8.580 -5.618 284 HA PHE 37 HA PHE 37 -13.664 -6.801 -7.726 285 1HB PHE 37 HB2 PHE 37 -15.749 -6.294 -5.589 286 2HB PHE 37 HB1 PHE 37 -15.133 -5.077 -6.699 287 HD1 PHE 37 HD1 PHE 37 -15.454 -5.468 -9.214 288 HD2 PHE 37 HD2 PHE 37 -17.528 -7.679 -6.203 289 HE1 PHE 37 HE1 PHE 37 -17.160 -6.129 -10.868 290 HE2 PHE 37 HE2 PHE 37 -19.227 -8.337 -7.859 291 HZ PHE 37 HZ PHE 37 -19.009 -7.563 -10.227 292 H TYR 38 HN TYR 38 -11.648 -6.207 -7.197 293 HA TYR 38 HA TYR 38 -10.992 -5.603 -4.364 294 1HB TYR 38 HB2 TYR 38 -9.184 -6.459 -6.634 295 2HB TYR 38 HB1 TYR 38 -8.662 -6.091 -4.994 296 HD1 TYR 38 HD1 TYR 38 -9.240 -7.577 -3.125 297 HD2 TYR 38 HD2 TYR 38 -10.305 -8.515 -7.146 298 HE1 TYR 38 HE1 TYR 38 -9.668 -9.911 -2.466 299 HE2 TYR 38 HE2 TYR 38 -10.717 -10.849 -6.494 300 HH TYR 38 HH TYR 38 -9.998 -12.022 -3.242 301 H LYS 39 HN LYS 39 -9.052 -4.037 -4.236 302 HA LYS 39 HA LYS 39 -9.870 -1.519 -5.336 303 1HB LYS 39 HB2 LYS 39 -8.779 -1.921 -3.064 304 2HB LYS 39 HB1 LYS 39 -7.260 -2.088 -3.929 305 1HG LYS 39 HG2 LYS 39 -7.411 0.169 -4.756 306 2HG LYS 39 HG1 LYS 39 -9.044 0.344 -4.119 307 1HD LYS 39 HD2 LYS 39 -8.316 0.588 -1.936 308 2HD LYS 39 HD1 LYS 39 -6.865 -0.373 -2.204 309 1HE LYS 39 HE2 LYS 39 -6.268 1.966 -1.851 310 2HE LYS 39 HE1 LYS 39 -5.882 1.482 -3.497 311 1HZ LYS 39 HZ2 LYS 39 -8.355 2.934 -2.719 312 2HZ LYS 39 HZ1 LYS 39 -6.949 3.669 -3.357 313 3HZ LYS 39 HZ3 LYS 39 -7.829 2.576 -4.304 314 H ASP 40 HN ASP 40 -6.902 -3.452 -5.699 315 HA ASP 40 HA ASP 40 -6.607 -2.609 -8.472 316 1HB ASP 40 HB2 ASP 40 -4.367 -1.757 -8.211 317 2HB ASP 40 HB1 ASP 40 -5.432 -0.863 -7.141 318 H ALA 41 HN ALA 41 -4.062 -3.567 -8.934 319 HA ALA 41 HA ALA 41 -4.501 -6.363 -9.155 320 1HB ALA 41 HB3 ALA 41 -3.058 -4.970 -10.684 321 2HB ALA 41 HB2 ALA 41 -1.833 -4.956 -9.413 322 3HB ALA 41 HB1 ALA 41 -2.325 -6.482 -10.149 323 H LYS 42 HN LYS 42 -2.555 -4.433 -6.928 324 HA LYS 42 HA LYS 42 -1.260 -6.565 -5.582 325 1HB LYS 42 HB2 LYS 42 -1.960 -3.771 -4.650 326 2HB LYS 42 HB1 LYS 42 -0.913 -4.878 -3.766 327 1HG LYS 42 HG2 LYS 42 0.574 -4.985 -5.757 328 2HG LYS 42 HG1 LYS 42 -0.435 -3.773 -6.547 329 1HD LYS 42 HD2 LYS 42 0.024 -2.341 -4.442 330 2HD LYS 42 HD1 LYS 42 1.340 -3.471 -4.125 331 1HE LYS 42 HE2 LYS 42 0.976 -1.831 -6.648 332 2HE LYS 42 HE1 LYS 42 2.119 -1.487 -5.359 333 1HZ LYS 42 HZ1 LYS 42 2.360 -4.170 -6.383 334 2HZ LYS 42 HZ3 LYS 42 2.635 -2.977 -7.569 335 3HZ LYS 42 HZ2 LYS 42 3.553 -2.984 -6.134 336 H SER 43 HN SER 43 -4.275 -4.789 -4.885 337 HA SER 43 HA SER 43 -4.944 -6.174 -2.501 338 1HB SER 43 HB2 SER 43 -6.825 -4.874 -4.476 339 2HB SER 43 HB1 SER 43 -7.149 -5.221 -2.776 340 HG SER 43 HG SER 43 -5.270 -3.366 -3.871 341 H ALA 44 HN ALA 44 -5.432 -6.942 -5.893 342 HA ALA 44 HA ALA 44 -7.334 -9.065 -5.478 343 1HB ALA 44 HB2 ALA 44 -5.617 -8.283 -7.843 344 2HB ALA 44 HB1 ALA 44 -6.756 -9.629 -7.868 345 3HB ALA 44 HB3 ALA 44 -7.342 -7.984 -7.615 346 H ALA 45 HN ALA 45 -3.857 -8.985 -6.285 347 HA ALA 45 HA ALA 45 -3.442 -11.792 -6.187 348 1HB ALA 45 HB3 ALA 45 -1.934 -10.168 -7.323 349 2HB ALA 45 HB2 ALA 45 -1.405 -9.591 -5.740 350 3HB ALA 45 HB1 ALA 45 -1.077 -11.256 -6.234 351 H SER 46 HN SER 46 -3.025 -9.229 -3.779 352 HA SER 46 HA SER 46 -1.981 -10.944 -1.716 353 1HB SER 46 HB2 SER 46 -1.505 -8.531 -1.836 354 2HB SER 46 HB1 SER 46 -3.203 -8.178 -1.542 355 HG SER 46 HG SER 46 -1.703 -9.762 0.272 356 H GLY 47 HN GLY 47 -5.189 -9.886 -2.688 357 1HA GLY 47 HA2 GLY 47 -7.246 -10.837 -2.180 358 2HA GLY 47 HA1 GLY 47 -6.458 -11.873 -0.993 359 H ILE 48 HN ILE 48 -6.576 -8.334 -1.347 360 HA ILE 48 HA ILE 48 -7.260 -8.034 1.481 361 HB ILE 48 HB ILE 48 -6.729 -5.843 -0.532 362 1HG1 ILE 48 HG12 ILE 48 -4.756 -7.397 1.155 363 2HG1 ILE 48 HG11 ILE 48 -4.815 -7.338 -0.598 364 1HG2 ILE 48 HG21 ILE 48 -7.753 -5.268 1.705 365 2HG2 ILE 48 HG23 ILE 48 -6.270 -5.861 2.454 366 3HG2 ILE 48 HG22 ILE 48 -6.218 -4.476 1.361 367 1HD1 ILE 48 HD13 ILE 48 -4.499 -4.792 -0.316 368 2HD1 ILE 48 HD12 ILE 48 -3.988 -5.186 1.326 369 3HD1 ILE 48 HD11 ILE 48 -3.103 -5.836 -0.057 370 HA PRO 49 HA PRO 49 -11.552 -7.467 0.307 371 1HB PRO 49 HB2 PRO 49 -12.523 -6.908 2.786 372 2HB PRO 49 HB1 PRO 49 -12.131 -8.541 2.230 373 1HG PRO 49 HG2 PRO 49 -10.603 -6.739 4.041 374 2HG PRO 49 HG1 PRO 49 -10.758 -8.502 4.062 375 1HD PRO 49 HD2 PRO 49 -8.572 -7.118 3.078 376 2HD PRO 49 HD1 PRO 49 -8.992 -8.792 2.662 377 H TYR 50 HN TYR 50 -11.298 -5.597 -0.936 378 HA TYR 50 HA TYR 50 -10.735 -2.993 0.007 379 1HB TYR 50 HB2 TYR 50 -10.463 -3.598 -2.316 380 2HB TYR 50 HB1 TYR 50 -12.175 -3.964 -2.467 381 HD1 TYR 50 HD1 TYR 50 -10.243 -1.064 -1.097 382 HD2 TYR 50 HD2 TYR 50 -13.261 -2.407 -3.812 383 HE1 TYR 50 HE1 TYR 50 -10.691 1.261 -1.757 384 HE2 TYR 50 HE2 TYR 50 -13.692 -0.072 -4.476 385 HH TYR 50 HH TYR 50 -12.569 2.090 -4.487 386 H HIS 51 HN HIS 51 -13.742 -4.769 -0.320 387 HA HIS 51 HA HIS 51 -15.176 -2.764 1.264 388 1HB HIS 51 HB2 HIS 51 -15.468 -2.997 -1.582 389 2HB HIS 51 HB1 HIS 51 -16.932 -3.628 -0.852 390 HD1 HIS 51 HD1 HIS 51 -18.616 -1.938 -0.101 391 HD2 HIS 51 HD2 HIS 51 -14.900 -0.216 -0.741 392 HE1 HIS 51 HE1 HIS 51 -19.001 0.532 0.094 393 H SER 52 HN SER 52 -17.626 -3.786 1.361 394 HA SER 52 HA SER 52 -17.260 -6.403 2.614 395 1HB SER 52 HB2 SER 52 -19.782 -4.749 2.326 396 2HB SER 52 HB1 SER 52 -19.517 -6.102 3.424 397 HG SER 52 HG SER 52 -17.647 -4.673 4.191 398 H GLU 53 HN GLU 53 -18.983 -4.923 -0.081 399 HA GLU 53 HA GLU 53 -20.090 -7.431 -1.066 400 1HB GLU 53 HB2 GLU 53 -20.072 -4.840 -2.597 401 2HB GLU 53 HB1 GLU 53 -21.280 -6.113 -2.584 402 1HG GLU 53 HG2 GLU 53 -22.407 -4.624 -1.289 403 2HG GLU 53 HG1 GLU 53 -21.435 -5.325 -0.002 404 H VAL 54 HN VAL 54 -17.631 -8.115 -1.037 405 HA VAL 54 HA VAL 54 -16.269 -7.354 -3.530 406 HB VAL 54 HB VAL 54 -15.313 -8.709 -1.017 407 1HG1 VAL 54 HG13 VAL 54 -14.022 -8.644 -3.719 408 2HG1 VAL 54 HG12 VAL 54 -13.030 -8.582 -2.263 409 3HG1 VAL 54 HG11 VAL 54 -14.095 -9.958 -2.549 410 1HG2 VAL 54 HG21 VAL 54 -15.546 -6.181 -1.260 411 2HG2 VAL 54 HG23 VAL 54 -13.985 -6.809 -0.725 412 3HG2 VAL 54 HG22 VAL 54 -14.202 -6.288 -2.394 413 HA PRO 55 HA PRO 55 -16.599 -12.049 -4.182 414 1HB PRO 55 HB2 PRO 55 -17.880 -13.649 -2.407 415 2HB PRO 55 HB1 PRO 55 -16.173 -13.214 -2.270 416 1HG PRO 55 HG2 PRO 55 -18.484 -12.281 -0.693 417 2HG PRO 55 HG1 PRO 55 -16.770 -12.347 -0.255 418 1HD PRO 55 HD2 PRO 55 -18.264 -10.075 -1.085 419 2HD PRO 55 HD1 PRO 55 -16.523 -10.172 -0.776 420 H VAL 56 HN VAL 56 -17.977 -12.339 -5.839 421 HA VAL 56 HA VAL 56 -20.892 -12.447 -5.334 422 HB VAL 56 HB VAL 56 -19.517 -10.895 -7.546 423 1HG1 VAL 56 HG12 VAL 56 -22.358 -11.793 -7.221 424 2HG1 VAL 56 HG11 VAL 56 -22.011 -10.257 -8.016 425 3HG1 VAL 56 HG13 VAL 56 -21.350 -11.756 -8.669 426 1HG2 VAL 56 HG22 VAL 56 -21.125 -10.075 -5.137 427 2HG2 VAL 56 HG21 VAL 56 -19.529 -9.513 -5.650 428 3HG2 VAL 56 HG23 VAL 56 -20.969 -9.022 -6.546 429 H SER 57 HN SER 57 -21.859 -14.143 -6.318 430 HA SER 57 HA SER 57 -20.251 -16.067 -7.760 431 1HB SER 57 HB2 SER 57 -23.175 -16.153 -7.106 432 2HB SER 57 HB1 SER 57 -22.114 -17.496 -7.454 433 HG SER 57 HG SER 57 -21.762 -17.590 -5.386 434 H LEU 58 HN LEU 58 -20.211 -16.343 -9.898 435 HA LEU 58 HA LEU 58 -21.929 -14.693 -11.620 436 1HB LEU 58 HB2 LEU 58 -19.365 -14.813 -11.814 437 2HB LEU 58 HB1 LEU 58 -19.614 -16.410 -12.510 438 HG LEU 58 HG LEU 58 -21.325 -15.114 -14.047 439 1HD1 LEU 58 HD12 LEU 58 -20.968 -12.956 -12.821 440 2HD1 LEU 58 HD11 LEU 58 -19.320 -12.935 -13.453 441 3HD1 LEU 58 HD13 LEU 58 -20.690 -12.863 -14.560 442 1HD2 LEU 58 HD22 LEU 58 -18.330 -15.122 -14.384 443 2HD2 LEU 58 HD21 LEU 58 -19.479 -16.334 -14.954 444 3HD2 LEU 58 HD23 LEU 58 -19.461 -14.724 -15.676 445 H LYS 59 HN LYS 59 -23.511 -16.502 -10.576 446 HA LYS 59 HA LYS 59 -23.609 -18.934 -12.190 447 1HB LYS 59 HB2 LYS 59 -24.429 -18.255 -9.584 448 2HB LYS 59 HB1 LYS 59 -25.924 -18.490 -10.478 449 1HG LYS 59 HG2 LYS 59 -23.643 -20.480 -10.497 450 2HG LYS 59 HG1 LYS 59 -24.987 -20.555 -9.364 451 1HD LYS 59 HD2 LYS 59 -25.338 -20.582 -12.368 452 2HD LYS 59 HD1 LYS 59 -25.254 -22.032 -11.372 453 1HE LYS 59 HE2 LYS 59 -27.177 -21.000 -10.020 454 2HE LYS 59 HE1 LYS 59 -27.364 -19.877 -11.365 455 1HZ LYS 59 HZ3 LYS 59 -27.182 -22.534 -12.325 456 2HZ LYS 59 HZ2 LYS 59 -28.408 -22.425 -11.143 457 3HZ LYS 59 HZ1 LYS 59 -28.444 -21.398 -12.507 458 H GLU 60 HN GLU 60 -24.251 -18.533 -14.223 459 HA GLU 60 HA GLU 60 -25.503 -17.911 -16.026 460 1HB GLU 60 HB2 GLU 60 -27.733 -17.925 -13.974 461 2HB GLU 60 HB1 GLU 60 -27.972 -17.828 -15.717 462 1HG GLU 60 HG2 GLU 60 -26.875 -19.993 -16.014 463 2HG GLU 60 HG1 GLU 60 -26.572 -20.097 -14.280 464 H ALA 61 HN ALA 61 -24.062 -15.903 -15.552 465 HA ALA 61 HA ALA 61 -25.617 -13.490 -14.933 466 1HB ALA 61 HB3 ALA 61 -23.313 -13.827 -13.993 467 2HB ALA 61 HB2 ALA 61 -22.680 -13.731 -15.639 468 3HB ALA 61 HB1 ALA 61 -23.498 -12.339 -14.923 469 H ILE 62 HN ILE 62 -26.639 -12.466 -16.526 470 HA ILE 62 HA ILE 62 -26.041 -13.006 -19.320 471 HB ILE 62 HB ILE 62 -28.077 -11.204 -17.989 472 1HG1 ILE 62 HG12 ILE 62 -28.466 -13.838 -19.428 473 2HG1 ILE 62 HG11 ILE 62 -28.369 -13.677 -17.679 474 1HG2 ILE 62 HG21 ILE 62 -27.362 -11.638 -20.845 475 2HG2 ILE 62 HG23 ILE 62 -29.077 -11.519 -20.441 476 3HG2 ILE 62 HG22 ILE 62 -27.983 -10.196 -20.035 477 1HD1 ILE 62 HD13 ILE 62 -30.278 -11.819 -18.273 478 2HD1 ILE 62 HD12 ILE 62 -30.582 -13.041 -19.510 479 3HD1 ILE 62 HD11 ILE 62 -30.616 -13.485 -17.802 480 H CYS 63 HN CYS 63 -24.925 -11.721 -20.656 481 HA CYS 63 HA CYS 63 -24.097 -9.039 -19.720 482 1HB CYS 63 HB2 CYS 63 -22.376 -11.037 -19.646 483 2HB CYS 63 HB1 CYS 63 -22.246 -10.710 -21.364 484 HG CYS 63 HG CYS 63 -21.875 -8.200 -19.693 485 H GLU 64 HN GLU 64 -24.623 -7.485 -21.110 486 HA GLU 64 HA GLU 64 -24.947 -8.115 -23.994 487 1HB GLU 64 HB2 GLU 64 -27.077 -7.679 -22.392 488 2HB GLU 64 HB1 GLU 64 -26.679 -6.009 -22.782 489 1HG GLU 64 HG2 GLU 64 -26.730 -7.911 -25.070 490 2HG GLU 64 HG1 GLU 64 -28.282 -7.575 -24.311 491 H VAL 65 HN VAL 65 -24.616 -6.263 -25.402 492 HA VAL 65 HA VAL 65 -22.438 -4.569 -24.503 493 HB VAL 65 HB VAL 65 -23.836 -4.509 -27.182 494 1HG1 VAL 65 HG13 VAL 65 -21.194 -3.538 -26.140 495 2HG1 VAL 65 HG12 VAL 65 -21.406 -3.903 -27.850 496 3HG1 VAL 65 HG11 VAL 65 -22.408 -2.669 -27.086 497 1HG2 VAL 65 HG22 VAL 65 -21.762 -6.421 -26.143 498 2HG2 VAL 65 HG21 VAL 65 -23.253 -6.771 -27.018 499 3HG2 VAL 65 HG23 VAL 65 -21.887 -6.046 -27.862 500 H ALA 66 HN ALA 66 -22.467 -2.363 -24.247 501 HA ALA 66 HA ALA 66 -25.073 -0.978 -24.480 502 1HB ALA 66 HB3 ALA 66 -24.358 -1.522 -22.081 503 2HB ALA 66 HB2 ALA 66 -23.079 -0.337 -22.315 504 3HB ALA 66 HB1 ALA 66 -24.759 0.154 -22.441 505 H LEU 67 HN LEU 67 -24.373 -0.395 -26.537 506 HA LEU 67 HA LEU 67 -22.165 1.558 -26.755 507 1HB LEU 67 HB2 LEU 67 -23.403 -0.386 -28.535 508 2HB LEU 67 HB1 LEU 67 -23.353 1.212 -29.276 509 HG LEU 67 HG LEU 67 -20.927 0.105 -27.909 510 1HD1 LEU 67 HD12 LEU 67 -21.804 -0.522 -30.726 511 2HD1 LEU 67 HD11 LEU 67 -20.166 -0.767 -30.115 512 3HD1 LEU 67 HD13 LEU 67 -21.512 -1.666 -29.416 513 1HD2 LEU 67 HD22 LEU 67 -21.574 2.317 -29.765 514 2HD2 LEU 67 HD21 LEU 67 -20.355 2.219 -28.489 515 3HD2 LEU 67 HD23 LEU 67 -20.049 1.477 -30.059 516 H ASP 68 HN ASP 68 -25.498 1.389 -26.282 517 HA ASP 68 HA ASP 68 -26.292 3.844 -27.588 518 1HB ASP 68 HB2 ASP 68 -28.459 3.439 -26.415 519 2HB ASP 68 HB1 ASP 68 -27.943 2.090 -27.416 520 H TYR 69 HN TYR 69 -25.052 2.826 -24.532 521 HA TYR 69 HA TYR 69 -25.774 5.239 -23.078 522 1HB TYR 69 HB2 TYR 69 -25.307 2.727 -22.232 523 2HB TYR 69 HB1 TYR 69 -23.673 3.344 -22.085 524 HD1 TYR 69 HD1 TYR 69 -27.075 4.749 -21.369 525 HD2 TYR 69 HD2 TYR 69 -23.158 3.869 -19.913 526 HE1 TYR 69 HE1 TYR 69 -27.645 5.778 -19.203 527 HE2 TYR 69 HE2 TYR 69 -23.733 4.890 -17.754 528 HH TYR 69 HH TYR 69 -25.260 5.981 -16.568 529 H LYS 70 HN LYS 70 -24.803 6.529 -24.886 530 HA LYS 70 HA LYS 70 -21.951 6.583 -25.238 531 1HB LYS 70 HB2 LYS 70 -24.123 8.485 -26.150 532 2HB LYS 70 HB1 LYS 70 -22.435 8.590 -26.640 533 1HG LYS 70 HG2 LYS 70 -22.651 6.181 -27.444 534 2HG LYS 70 HG1 LYS 70 -24.390 6.375 -27.240 535 1HD LYS 70 HD2 LYS 70 -24.434 8.185 -28.847 536 2HD LYS 70 HD1 LYS 70 -22.676 8.171 -28.951 537 1HE LYS 70 HE2 LYS 70 -24.033 6.998 -30.823 538 2HE LYS 70 HE1 LYS 70 -22.620 6.181 -30.161 539 1HZ LYS 70 HZ1 LYS 70 -25.310 5.680 -29.042 540 2HZ LYS 70 HZ3 LYS 70 -24.793 4.867 -30.449 541 3HZ LYS 70 HZ2 LYS 70 -23.925 4.693 -28.987 542 H LYS 71 HN LYS 71 -22.182 6.799 -22.617 543 HA LYS 71 HA LYS 71 -21.727 9.647 -21.907 544 1HB LYS 71 HB2 LYS 71 -22.330 7.254 -20.144 545 2HB LYS 71 HB1 LYS 71 -21.992 8.877 -19.556 546 1HG LYS 71 HG2 LYS 71 -24.237 8.351 -21.508 547 2HG LYS 71 HG1 LYS 71 -24.462 8.160 -19.770 548 1HD LYS 71 HD2 LYS 71 -24.970 10.356 -19.753 549 2HD LYS 71 HD1 LYS 71 -23.245 10.635 -19.958 550 1HE LYS 71 HE2 LYS 71 -23.758 10.395 -22.495 551 2HE LYS 71 HE1 LYS 71 -25.429 10.675 -22.025 552 1HZ LYS 71 HZ1 LYS 71 -23.893 12.606 -20.743 553 2HZ LYS 71 HZ3 LYS 71 -23.342 12.542 -22.353 554 3HZ LYS 71 HZ2 LYS 71 -24.992 12.820 -22.036 555 H LYS 72 HN LYS 72 -20.247 6.760 -22.631 556 HA LYS 72 HA LYS 72 -17.585 7.664 -21.855 557 1HB LYS 72 HB2 LYS 72 -18.861 5.088 -20.900 558 2HB LYS 72 HB1 LYS 72 -17.120 5.280 -21.020 559 1HG LYS 72 HG2 LYS 72 -17.180 6.096 -18.938 560 2HG LYS 72 HG1 LYS 72 -17.893 7.545 -19.628 561 1HD LYS 72 HD2 LYS 72 -20.138 6.116 -19.382 562 2HD LYS 72 HD1 LYS 72 -19.193 5.309 -18.133 563 1HE LYS 72 HE2 LYS 72 -19.794 8.276 -18.291 564 2HE LYS 72 HE1 LYS 72 -20.479 7.129 -17.147 565 1HZ LYS 72 HZ1 LYS 72 -18.026 6.706 -16.534 566 2HZ LYS 72 HZ3 LYS 72 -17.746 8.214 -17.277 567 3HZ LYS 72 HZ2 LYS 72 -18.806 8.106 -15.944 568 H LYS 73 HN LYS 73 -16.129 5.544 -22.664 569 HA LYS 73 HA LYS 73 -16.314 5.628 -25.504 570 1HB LYS 73 HB2 LYS 73 -14.631 4.097 -23.544 571 2HB LYS 73 HB1 LYS 73 -14.590 3.677 -25.256 572 1HG LYS 73 HG2 LYS 73 -14.066 6.061 -25.775 573 2HG LYS 73 HG1 LYS 73 -13.979 6.378 -24.046 574 1HD LYS 73 HD2 LYS 73 -11.738 6.037 -24.773 575 2HD LYS 73 HD1 LYS 73 -12.207 4.578 -23.903 576 1HE LYS 73 HE2 LYS 73 -10.994 4.014 -25.951 577 2HE LYS 73 HE1 LYS 73 -12.649 3.433 -26.037 578 1HZ LYS 73 HZ3 LYS 73 -12.710 5.966 -27.116 579 2HZ LYS 73 HZ2 LYS 73 -11.283 5.259 -27.728 580 3HZ LYS 73 HZ1 LYS 73 -12.781 4.487 -27.960 581 H HIS 74 HN HIS 74 -16.255 2.597 -23.658 582 HA HIS 74 HA HIS 74 -18.562 1.577 -25.206 583 1HB HIS 74 HB2 HIS 74 -15.787 0.426 -24.984 584 2HB HIS 74 HB1 HIS 74 -17.159 -0.658 -25.154 585 HD1 HIS 74 HD1 HIS 74 -14.724 0.606 -27.222 586 HD2 HIS 74 HD2 HIS 74 -18.849 0.622 -27.525 587 HE1 HIS 74 HE1 HIS 74 -15.190 0.955 -29.652 588 H VAL 75 HN VAL 75 -20.067 0.772 -23.856 589 HA VAL 75 HA VAL 75 -19.201 -0.209 -21.190 590 HB VAL 75 HB VAL 75 -21.761 1.219 -21.947 591 1HG1 VAL 75 HG12 VAL 75 -20.783 0.155 -19.303 592 2HG1 VAL 75 HG11 VAL 75 -22.050 1.371 -19.440 593 3HG1 VAL 75 HG13 VAL 75 -22.289 -0.228 -20.139 594 1HG2 VAL 75 HG21 VAL 75 -19.200 2.180 -20.763 595 2HG2 VAL 75 HG23 VAL 75 -20.269 2.957 -21.938 596 3HG2 VAL 75 HG22 VAL 75 -20.715 2.912 -20.231 597 H PHE 76 HN PHE 76 -20.653 -1.844 -20.270 598 HA PHE 76 HA PHE 76 -22.379 -3.275 -22.128 599 1HB PHE 76 HB2 PHE 76 -21.335 -5.413 -21.867 600 2HB PHE 76 HB1 PHE 76 -20.146 -4.287 -22.482 601 HD1 PHE 76 HD2 PHE 76 -21.219 -6.213 -19.533 602 HD2 PHE 76 HD1 PHE 76 -18.168 -3.759 -21.238 603 HE1 PHE 76 HE2 PHE 76 -19.701 -6.811 -17.685 604 HE2 PHE 76 HE1 PHE 76 -16.651 -4.349 -19.390 605 HZ PHE 76 HZ PHE 76 -17.350 -6.038 -17.724 606 H LYS 77 HN LYS 77 -23.955 -4.429 -21.143 607 HA LYS 77 HA LYS 77 -24.499 -3.743 -18.358 608 1HB LYS 77 HB2 LYS 77 -26.261 -5.393 -20.170 609 2HB LYS 77 HB1 LYS 77 -26.719 -4.428 -18.772 610 1HG LYS 77 HG2 LYS 77 -25.718 -2.452 -20.239 611 2HG LYS 77 HG1 LYS 77 -26.112 -3.550 -21.562 612 1HD LYS 77 HD2 LYS 77 -28.138 -2.886 -19.429 613 2HD LYS 77 HD1 LYS 77 -27.891 -1.816 -20.805 614 1HE LYS 77 HE2 LYS 77 -28.359 -4.750 -21.278 615 2HE LYS 77 HE1 LYS 77 -29.727 -3.712 -20.882 616 1HZ LYS 77 HZ3 LYS 77 -28.333 -2.347 -22.823 617 2HZ LYS 77 HZ2 LYS 77 -28.310 -3.970 -23.344 618 3HZ LYS 77 HZ1 LYS 77 -29.795 -3.194 -23.026 619 H LEU 78 HN LEU 78 -24.545 -5.148 -16.700 620 HA LEU 78 HA LEU 78 -24.066 -8.014 -17.206 621 1HB LEU 78 HB2 LEU 78 -21.925 -6.848 -16.622 622 2HB LEU 78 HB1 LEU 78 -22.640 -6.392 -15.089 623 HG LEU 78 HG LEU 78 -22.730 -8.596 -14.353 624 1HD1 LEU 78 HD13 LEU 78 -22.323 -9.388 -17.212 625 2HD1 LEU 78 HD12 LEU 78 -22.022 -10.519 -15.888 626 3HD1 LEU 78 HD11 LEU 78 -23.628 -9.836 -16.111 627 1HD2 LEU 78 HD23 LEU 78 -20.216 -7.668 -15.461 628 2HD2 LEU 78 HD22 LEU 78 -20.567 -8.392 -13.892 629 3HD2 LEU 78 HD21 LEU 78 -20.275 -9.424 -15.290 630 H ARG 79 HN ARG 79 -25.830 -8.953 -16.475 631 HA ARG 79 HA ARG 79 -26.988 -8.110 -13.871 632 1HB ARG 79 HB2 ARG 79 -28.521 -7.455 -15.584 633 2HB ARG 79 HB1 ARG 79 -28.340 -8.988 -16.430 634 1HG ARG 79 HG2 ARG 79 -29.600 -10.155 -14.826 635 2HG ARG 79 HG1 ARG 79 -29.436 -8.875 -13.630 636 1HD ARG 79 HD2 ARG 79 -31.109 -7.606 -14.566 637 2HD ARG 79 HD1 ARG 79 -30.788 -8.184 -16.196 638 HE ARG 79 HE ARG 79 -32.318 -9.877 -15.864 639 1HH1 ARG 79 HH21 ARG 79 -32.600 -7.862 -13.167 640 2HH1 ARG 79 HH22 ARG 79 -33.193 -9.087 -12.075 641 1HH2 ARG 79 HH11 ARG 79 -32.532 -11.758 -14.288 642 2HH2 ARG 79 HH12 ARG 79 -33.201 -11.318 -12.734 643 H LEU 80 HN LEU 80 -27.057 -9.673 -12.364 644 HA LEU 80 HA LEU 80 -26.029 -12.311 -12.899 645 1HB LEU 80 HB2 LEU 80 -27.400 -11.194 -10.445 646 2HB LEU 80 HB1 LEU 80 -26.523 -12.717 -10.518 647 HG LEU 80 HG LEU 80 -25.370 -9.962 -10.947 648 1HD1 LEU 80 HD11 LEU 80 -25.977 -11.069 -8.568 649 2HD1 LEU 80 HD13 LEU 80 -24.359 -11.737 -8.808 650 3HD1 LEU 80 HD12 LEU 80 -24.604 -9.989 -8.814 651 1HD2 LEU 80 HD22 LEU 80 -24.227 -12.696 -11.350 652 2HD2 LEU 80 HD21 LEU 80 -24.027 -11.236 -12.322 653 3HD2 LEU 80 HD23 LEU 80 -23.175 -11.394 -10.789 654 H SER 81 HN SER 81 -27.534 -14.088 -11.542 655 HA SER 81 HA SER 81 -29.659 -14.709 -13.313 656 1HB SER 81 HB2 SER 81 -30.055 -16.353 -11.148 657 2HB SER 81 HB1 SER 81 -28.964 -16.675 -12.490 658 HG SER 81 HG SER 81 -27.292 -16.375 -11.235 659 H ASP 82 HN ASP 82 -29.586 -13.678 -9.927 660 HA ASP 82 HA ASP 82 -31.992 -12.126 -10.149 661 1HB ASP 82 HB2 ASP 82 -32.882 -14.525 -10.030 662 2HB ASP 82 HB1 ASP 82 -32.203 -14.607 -8.409 663 H GLY 83 HN GLY 83 -29.487 -11.415 -9.410 664 1HA GLY 83 HA2 GLY 83 -29.580 -11.141 -6.455 665 2HA GLY 83 HA1 GLY 83 -28.091 -11.249 -7.384 666 H ASN 84 HN ASN 84 -27.566 -9.477 -8.857 667 HA ASN 84 HA ASN 84 -28.861 -6.895 -8.262 668 1HB ASN 84 HB2 ASN 84 -25.919 -7.587 -8.080 669 2HB ASN 84 HB1 ASN 84 -26.515 -5.930 -8.113 670 1HD2 ASN 84 HD22 ASN 84 -26.001 -7.266 -4.590 671 2HD2 ASN 84 HD21 ASN 84 -25.035 -7.374 -6.024 672 H GLU 85 HN GLU 85 -28.076 -5.203 -9.793 673 HA GLU 85 HA GLU 85 -27.351 -6.256 -12.473 674 1HB GLU 85 HB2 GLU 85 -29.410 -4.184 -11.705 675 2HB GLU 85 HB1 GLU 85 -28.830 -4.411 -13.352 676 1HG GLU 85 HG2 GLU 85 -29.656 -6.693 -13.369 677 2HG GLU 85 HG1 GLU 85 -30.147 -6.570 -11.682 678 H TYR 86 HN TYR 86 -25.613 -5.226 -13.374 679 HA TYR 86 HA TYR 86 -24.851 -2.545 -12.345 680 1HB TYR 86 HB2 TYR 86 -22.816 -4.673 -12.958 681 2HB TYR 86 HB1 TYR 86 -22.587 -3.159 -12.097 682 HD1 TYR 86 HD2 TYR 86 -24.030 -6.570 -11.838 683 HD2 TYR 86 HD1 TYR 86 -22.868 -3.024 -9.755 684 HE1 TYR 86 HE2 TYR 86 -24.211 -7.762 -9.690 685 HE2 TYR 86 HE1 TYR 86 -23.054 -4.226 -7.618 686 HH TYR 86 HH TYR 86 -23.182 -6.293 -6.663 687 H LEU 87 HN LEU 87 -23.336 -1.416 -13.677 688 HA LEU 87 HA LEU 87 -23.397 -2.090 -16.571 689 1HB LEU 87 HB2 LEU 87 -23.168 0.662 -15.302 690 2HB LEU 87 HB1 LEU 87 -23.189 0.308 -17.026 691 HG LEU 87 HG LEU 87 -25.444 0.013 -15.061 692 1HD1 LEU 87 HD12 LEU 87 -24.973 1.733 -17.480 693 2HD1 LEU 87 HD11 LEU 87 -26.565 1.525 -16.749 694 3HD1 LEU 87 HD13 LEU 87 -25.249 2.246 -15.817 695 1HD2 LEU 87 HD22 LEU 87 -25.130 -1.125 -17.813 696 2HD2 LEU 87 HD21 LEU 87 -25.782 -1.884 -16.362 697 3HD2 LEU 87 HD23 LEU 87 -26.721 -0.660 -17.216 698 H PHE 88 HN PHE 88 -21.369 -2.385 -17.440 699 HA PHE 88 HA PHE 88 -19.034 -1.533 -15.823 700 1HB PHE 88 HB2 PHE 88 -19.562 -4.069 -17.322 701 2HB PHE 88 HB1 PHE 88 -17.913 -3.535 -17.018 702 HD1 PHE 88 HD1 PHE 88 -17.151 -3.193 -14.657 703 HD2 PHE 88 HD2 PHE 88 -20.848 -5.091 -15.616 704 HE1 PHE 88 HE1 PHE 88 -17.232 -4.166 -12.397 705 HE2 PHE 88 HE2 PHE 88 -20.933 -6.066 -13.357 706 HZ PHE 88 HZ PHE 88 -19.132 -5.601 -11.747 707 H GLN 89 HN GLN 89 -17.651 -0.208 -16.791 708 HA GLN 89 HA GLN 89 -17.851 0.240 -19.705 709 1HB GLN 89 HB2 GLN 89 -18.252 2.179 -18.222 710 2HB GLN 89 HB1 GLN 89 -16.644 1.983 -17.566 711 1HG GLN 89 HG2 GLN 89 -16.441 2.090 -20.425 712 2HG GLN 89 HG1 GLN 89 -17.426 3.440 -19.873 713 1HE2 GLN 89 HE22 GLN 89 -13.459 3.586 -19.408 714 2HE2 GLN 89 HE21 GLN 89 -14.300 2.460 -20.422 715 H ALA 90 HN ALA 90 -16.238 -0.293 -20.992 716 HA ALA 90 HA ALA 90 -13.711 -1.319 -19.856 717 1HB ALA 90 HB1 ALA 90 -14.958 -1.672 -22.601 718 2HB ALA 90 HB3 ALA 90 -13.444 -2.399 -22.065 719 3HB ALA 90 HB2 ALA 90 -14.962 -2.862 -21.293 720 H LYS 91 HN LYS 91 -11.726 -0.864 -21.145 721 HA LYS 91 HA LYS 91 -11.546 1.995 -21.723 722 1HB LYS 91 HB2 LYS 91 -9.184 1.694 -21.674 723 2HB LYS 91 HB1 LYS 91 -9.857 0.744 -20.354 724 1HG LYS 91 HG2 LYS 91 -9.829 -1.158 -22.243 725 2HG LYS 91 HG1 LYS 91 -8.528 -0.156 -22.869 726 1HD LYS 91 HD2 LYS 91 -8.585 -1.010 -19.982 727 2HD LYS 91 HD1 LYS 91 -7.945 -2.076 -21.228 728 1HE LYS 91 HE2 LYS 91 -6.165 -0.644 -21.726 729 2HE LYS 91 HE1 LYS 91 -6.964 0.753 -21.013 730 1HZ LYS 91 HZ1 LYS 91 -6.163 -1.554 -19.352 731 2HZ LYS 91 HZ3 LYS 91 -5.055 -0.318 -19.741 732 3HZ LYS 91 HZ2 LYS 91 -6.478 0.059 -18.878 733 H ASP 92 HN ASP 92 -11.453 -1.025 -23.508 734 HA ASP 92 HA ASP 92 -11.538 0.435 -26.058 735 1HB ASP 92 HB2 ASP 92 -9.129 -0.100 -25.539 736 2HB ASP 92 HB1 ASP 92 -9.552 -1.807 -25.562 737 H ASP 93 HN ASP 93 -12.137 -0.998 -27.858 738 HA ASP 93 HA ASP 93 -14.390 -2.594 -27.335 739 1HB ASP 93 HB2 ASP 93 -13.885 -1.429 -29.497 740 2HB ASP 93 HB1 ASP 93 -12.666 -2.659 -29.828 741 H GLU 94 HN GLU 94 -11.016 -3.499 -28.024 742 HA GLU 94 HA GLU 94 -11.344 -6.299 -28.168 743 1HB GLU 94 HB2 GLU 94 -8.978 -4.674 -27.212 744 2HB GLU 94 HB1 GLU 94 -8.933 -6.401 -27.547 745 1HG GLU 94 HG2 GLU 94 -9.837 -5.737 -29.893 746 2HG GLU 94 HG1 GLU 94 -9.283 -4.115 -29.477 747 H GLU 95 HN GLU 95 -10.705 -4.170 -25.408 748 HA GLU 95 HA GLU 95 -10.525 -6.195 -23.419 749 1HB GLU 95 HB2 GLU 95 -9.821 -3.692 -23.318 750 2HB GLU 95 HB1 GLU 95 -11.496 -3.404 -22.862 751 1HG GLU 95 HG2 GLU 95 -11.025 -5.317 -21.103 752 2HG GLU 95 HG1 GLU 95 -9.342 -4.881 -21.382 753 H MET 96 HN MET 96 -13.189 -4.093 -24.476 754 HA MET 96 HA MET 96 -15.204 -4.968 -22.736 755 1HB MET 96 HB2 MET 96 -15.196 -3.002 -24.403 756 2HB MET 96 HB1 MET 96 -15.702 -4.179 -25.606 757 1HG MET 96 HG2 MET 96 -17.520 -4.756 -23.746 758 2HG MET 96 HG1 MET 96 -17.183 -3.107 -23.246 759 1HE MET 96 HE1 MET 96 -17.909 -5.434 -26.070 760 2HE MET 96 HE3 MET 96 -19.096 -4.609 -27.085 761 3HE MET 96 HE2 MET 96 -17.375 -4.283 -27.293 762 H ASN 97 HN ASN 97 -14.303 -6.174 -25.959 763 HA ASN 97 HA ASN 97 -16.279 -8.178 -26.199 764 1HB ASN 97 HB2 ASN 97 -14.934 -7.337 -28.089 765 2HB ASN 97 HB1 ASN 97 -13.496 -8.095 -27.406 766 1HD2 ASN 97 HD22 ASN 97 -14.152 -11.138 -28.971 767 2HD2 ASN 97 HD21 ASN 97 -13.024 -10.033 -28.241 768 H THR 98 HN THR 98 -12.960 -8.317 -24.912 769 HA THR 98 HA THR 98 -12.902 -11.095 -24.359 770 HB THR 98 HB THR 98 -11.396 -8.953 -22.846 771 HG1 THR 98 HG1 THR 98 -10.794 -8.478 -24.859 772 1HG2 THR 98 HG23 THR 98 -10.853 -11.863 -23.459 773 2HG2 THR 98 HG22 THR 98 -9.638 -10.761 -22.808 774 3HG2 THR 98 HG21 THR 98 -11.091 -11.128 -21.872 775 H TRP 99 HN TRP 99 -13.890 -8.316 -22.365 776 HA TRP 99 HA TRP 99 -14.333 -9.731 -19.947 777 1HB TRP 99 HB2 TRP 99 -15.249 -7.089 -21.048 778 2HB TRP 99 HB1 TRP 99 -15.986 -7.707 -19.577 779 HD1 TRP 99 HD1 TRP 99 -13.228 -5.538 -20.590 780 HE1 TRP 99 HE1 TRP 99 -11.504 -5.310 -18.719 781 HE3 TRP 99 HE3 TRP 99 -14.705 -9.383 -17.541 782 HZ2 TRP 99 HZ2 TRP 99 -10.835 -6.540 -16.282 783 HZ3 TRP 99 HZ3 TRP 99 -13.476 -9.785 -15.449 784 HH2 TRP 99 HH2 TRP 99 -11.559 -8.381 -14.822 785 H ILE 100 HN ILE 100 -16.630 -8.721 -22.492 786 HA ILE 100 HA ILE 100 -18.942 -9.877 -21.379 787 HB ILE 100 HB ILE 100 -18.204 -9.275 -24.241 788 1HG1 ILE 100 HG12 ILE 100 -20.031 -7.790 -22.342 789 2HG1 ILE 100 HG11 ILE 100 -18.343 -7.368 -22.616 790 1HG2 ILE 100 HG22 ILE 100 -20.814 -10.235 -23.090 791 2HG2 ILE 100 HG21 ILE 100 -20.744 -9.290 -24.575 792 3HG2 ILE 100 HG23 ILE 100 -19.931 -10.852 -24.488 793 1HD1 ILE 100 HD13 ILE 100 -18.912 -7.192 -25.082 794 2HD1 ILE 100 HD12 ILE 100 -20.606 -7.304 -24.601 795 3HD1 ILE 100 HD11 ILE 100 -19.619 -5.957 -24.039 796 H GLN 101 HN GLN 101 -16.550 -11.245 -23.643 797 HA GLN 101 HA GLN 101 -17.903 -13.732 -24.033 798 1HB GLN 101 HB2 GLN 101 -15.116 -12.737 -24.558 799 2HB GLN 101 HB1 GLN 101 -15.478 -14.452 -24.717 800 1HG GLN 101 HG2 GLN 101 -17.544 -13.444 -26.138 801 2HG GLN 101 HG1 GLN 101 -16.372 -12.154 -26.391 802 1HE2 GLN 101 HE22 GLN 101 -15.498 -15.932 -27.778 803 2HE2 GLN 101 HE21 GLN 101 -16.509 -15.710 -26.376 804 H ALA 102 HN ALA 102 -15.341 -12.695 -21.779 805 HA ALA 102 HA ALA 102 -14.815 -15.222 -20.612 806 1HB ALA 102 HB3 ALA 102 -13.360 -13.233 -20.294 807 2HB ALA 102 HB2 ALA 102 -14.615 -12.493 -19.299 808 3HB ALA 102 HB1 ALA 102 -13.824 -13.975 -18.762 809 H ILE 103 HN ILE 103 -17.168 -12.695 -19.818 810 HA ILE 103 HA ILE 103 -18.220 -13.932 -17.471 811 HB ILE 103 HB ILE 103 -19.264 -11.816 -19.350 812 1HG1 ILE 103 HG12 ILE 103 -18.489 -11.416 -16.481 813 2HG1 ILE 103 HG11 ILE 103 -17.229 -11.527 -17.702 814 1HG2 ILE 103 HG22 ILE 103 -20.537 -12.921 -16.849 815 2HG2 ILE 103 HG21 ILE 103 -20.873 -11.299 -17.449 816 3HG2 ILE 103 HG23 ILE 103 -21.252 -12.701 -18.446 817 1HD1 ILE 103 HD13 ILE 103 -18.676 -9.734 -18.958 818 2HD1 ILE 103 HD12 ILE 103 -19.338 -9.431 -17.353 819 3HD1 ILE 103 HD11 ILE 103 -17.606 -9.239 -17.643 820 H SER 104 HN SER 104 -18.991 -14.152 -20.905 821 HA SER 104 HA SER 104 -21.464 -15.577 -20.603 822 1HB SER 104 HB2 SER 104 -19.611 -15.359 -22.990 823 2HB SER 104 HB1 SER 104 -21.262 -15.968 -23.021 824 HG SER 104 HG SER 104 -20.389 -13.325 -22.415 825 H SER 105 HN SER 105 -18.104 -16.548 -21.264 826 HA SER 105 HA SER 105 -18.686 -19.344 -21.549 827 1HB SER 105 HB2 SER 105 -16.032 -18.020 -20.941 828 2HB SER 105 HB1 SER 105 -16.281 -19.645 -21.582 829 HG SER 105 HG SER 105 -17.082 -18.765 -23.488 830 H ALA 106 HN ALA 106 -17.731 -17.290 -18.847 831 HA ALA 106 HA ALA 106 -17.621 -17.606 -16.599 832 1HB ALA 106 HB2 ALA 106 -19.912 -18.544 -16.990 833 2HB ALA 106 HB1 ALA 106 -19.192 -20.150 -17.073 834 3HB ALA 106 HB3 ALA 106 -19.089 -19.214 -15.583 No H/Q in entry = 834 Start of MODEL 20 1 1H MET 1 HT3 MET 1 -6.492 -13.126 -14.866 2 2H MET 1 HT2 MET 1 -7.330 -14.562 -14.477 3 3H MET 1 HT1 MET 1 -6.555 -14.402 -15.990 4 HA MET 1 HA MET 1 -8.100 -12.929 -16.806 5 1HB MET 1 HB2 MET 1 -8.980 -15.292 -16.398 6 2HB MET 1 HB1 MET 1 -9.823 -14.639 -14.996 7 1HG MET 1 HG2 MET 1 -11.107 -13.146 -16.388 8 2HG MET 1 HG1 MET 1 -10.151 -13.559 -17.805 9 1HE MET 1 HE2 MET 1 -10.806 -15.056 -19.462 10 2HE MET 1 HE1 MET 1 -10.123 -16.436 -18.603 11 3HE MET 1 HE3 MET 1 -11.750 -16.536 -19.286 12 H GLU 2 HN GLU 2 -7.108 -11.203 -15.268 13 HA GLU 2 HA GLU 2 -9.324 -9.994 -13.718 14 1HB GLU 2 HB2 GLU 2 -6.422 -9.664 -12.959 15 2HB GLU 2 HB1 GLU 2 -7.853 -9.264 -12.020 16 1HG GLU 2 HG2 GLU 2 -7.507 -11.225 -10.971 17 2HG GLU 2 HG1 GLU 2 -8.177 -11.973 -12.413 18 H GLY 3 HN GLY 3 -8.860 -7.586 -13.376 19 1HA GLY 3 HA2 GLY 3 -7.155 -6.006 -14.840 20 2HA GLY 3 HA1 GLY 3 -8.485 -6.354 -15.945 21 H PHE 4 HN PHE 4 -8.229 -3.815 -15.457 22 HA PHE 4 HA PHE 4 -9.856 -2.987 -13.154 23 1HB PHE 4 HB2 PHE 4 -8.200 -1.557 -15.200 24 2HB PHE 4 HB1 PHE 4 -9.421 -0.672 -14.300 25 HD1 PHE 4 HD1 PHE 4 -9.336 -0.759 -11.753 26 HD2 PHE 4 HD2 PHE 4 -6.074 -1.958 -14.242 27 HE1 PHE 4 HE1 PHE 4 -7.788 -0.480 -9.863 28 HE2 PHE 4 HE2 PHE 4 -4.530 -1.672 -12.346 29 HZ PHE 4 HZ PHE 4 -5.383 -0.933 -10.158 30 H LEU 5 HN LEU 5 -11.832 -1.982 -13.339 31 HA LEU 5 HA LEU 5 -13.124 -1.682 -15.947 32 1HB LEU 5 HB2 LEU 5 -13.656 -3.910 -14.077 33 2HB LEU 5 HB1 LEU 5 -15.092 -3.039 -14.592 34 HG LEU 5 HG LEU 5 -13.049 -4.272 -16.428 35 1HD1 LEU 5 HD12 LEU 5 -15.733 -5.202 -15.441 36 2HD1 LEU 5 HD11 LEU 5 -15.083 -5.756 -16.980 37 3HD1 LEU 5 HD13 LEU 5 -14.201 -6.081 -15.490 38 1HD2 LEU 5 HD23 LEU 5 -15.374 -2.498 -16.880 39 2HD2 LEU 5 HD22 LEU 5 -13.891 -2.687 -17.819 40 3HD2 LEU 5 HD21 LEU 5 -15.197 -3.861 -17.987 41 H ASN 6 HN ASN 6 -14.878 -0.295 -15.893 42 HA ASN 6 HA ASN 6 -15.243 1.306 -13.458 43 1HB ASN 6 HB2 ASN 6 -15.405 1.795 -16.309 44 2HB ASN 6 HB1 ASN 6 -16.913 2.237 -15.531 45 1HD2 ASN 6 HD22 ASN 6 -13.620 4.507 -15.017 46 2HD2 ASN 6 HD21 ASN 6 -13.647 3.090 -16.027 47 H ARG 7 HN ARG 7 -16.934 0.915 -12.114 48 HA ARG 7 HA ARG 7 -19.102 -0.859 -13.096 49 1HB ARG 7 HB2 ARG 7 -17.490 -1.789 -11.394 50 2HB ARG 7 HB1 ARG 7 -18.111 -0.600 -10.255 51 1HG ARG 7 HG2 ARG 7 -20.417 -1.570 -10.652 52 2HG ARG 7 HG1 ARG 7 -19.637 -2.850 -11.577 53 1HD ARG 7 HD2 ARG 7 -19.950 -3.693 -9.360 54 2HD ARG 7 HD1 ARG 7 -18.230 -3.340 -9.535 55 HE ARG 7 HE ARG 7 -20.031 -1.350 -8.270 56 1HH1 ARG 7 HH21 ARG 7 -17.212 -0.619 -8.130 57 2HH1 ARG 7 HH22 ARG 7 -16.689 -1.230 -6.588 58 1HH2 ARG 7 HH11 ARG 7 -19.398 -3.495 -6.298 59 2HH2 ARG 7 HH12 ARG 7 -17.922 -2.929 -5.570 60 H LYS 8 HN LYS 8 -21.023 0.028 -13.221 61 HA LYS 8 HA LYS 8 -21.793 2.236 -11.379 62 1HB LYS 8 HB2 LYS 8 -21.668 2.833 -13.823 63 2HB LYS 8 HB1 LYS 8 -22.942 1.668 -14.118 64 1HG LYS 8 HG2 LYS 8 -23.952 3.209 -12.039 65 2HG LYS 8 HG1 LYS 8 -23.103 4.381 -13.039 66 1HD LYS 8 HD2 LYS 8 -24.576 4.189 -14.754 67 2HD LYS 8 HD1 LYS 8 -24.783 2.456 -14.516 68 1HE LYS 8 HE2 LYS 8 -26.383 2.758 -12.794 69 2HE LYS 8 HE1 LYS 8 -25.970 4.463 -12.609 70 1HZ LYS 8 HZ1 LYS 8 -26.760 4.019 -15.264 71 2HZ LYS 8 HZ3 LYS 8 -27.933 3.334 -14.237 72 3HZ LYS 8 HZ2 LYS 8 -27.512 4.979 -14.068 73 H HIS 9 HN HIS 9 -23.172 1.511 -9.894 74 HA HIS 9 HA HIS 9 -24.499 -1.023 -10.088 75 1HB HIS 9 HB2 HIS 9 -25.029 1.103 -8.005 76 2HB HIS 9 HB1 HIS 9 -25.294 -0.624 -7.869 77 HD1 HIS 9 HD1 HIS 9 -23.715 -1.269 -6.043 78 HD2 HIS 9 HD2 HIS 9 -21.890 1.172 -8.836 79 HE1 HIS 9 HE1 HIS 9 -21.307 -1.201 -5.375 80 H GLU 10 HN GLU 10 -26.052 -1.150 -11.608 81 HA GLU 10 HA GLU 10 -27.976 0.966 -12.071 82 1HB GLU 10 HB2 GLU 10 -27.155 -1.528 -13.379 83 2HB GLU 10 HB1 GLU 10 -28.892 -1.266 -13.427 84 1HG GLU 10 HG2 GLU 10 -26.936 0.902 -14.201 85 2HG GLU 10 HG1 GLU 10 -27.504 -0.300 -15.357 86 H TRP 11 HN TRP 11 -27.730 -1.752 -10.007 87 HA TRP 11 HA TRP 11 -30.273 -1.229 -8.786 88 1HB TRP 11 HB2 TRP 11 -30.909 -2.647 -10.787 89 2HB TRP 11 HB1 TRP 11 -29.969 -3.954 -10.079 90 HD1 TRP 11 HD1 TRP 11 -33.100 -1.778 -9.249 91 HE1 TRP 11 HE1 TRP 11 -34.625 -3.149 -7.712 92 HE3 TRP 11 HE3 TRP 11 -30.151 -5.889 -8.538 93 HZ2 TRP 11 HZ2 TRP 11 -34.610 -5.609 -6.380 94 HZ3 TRP 11 HZ3 TRP 11 -30.973 -7.719 -7.104 95 HH2 TRP 11 HH2 TRP 11 -33.171 -7.584 -6.046 96 H GLU 12 HN GLU 12 -29.732 -1.330 -6.751 97 HA GLU 12 HA GLU 12 -28.537 -3.685 -5.563 98 1HB GLU 12 HB2 GLU 12 -26.989 -1.145 -5.933 99 2HB GLU 12 HB1 GLU 12 -26.823 -1.984 -4.397 100 1HG GLU 12 HG2 GLU 12 -26.559 -4.049 -6.202 101 2HG GLU 12 HG1 GLU 12 -25.789 -2.711 -7.051 102 H ALA 13 HN ALA 13 -31.051 -2.456 -5.384 103 HA ALA 13 HA ALA 13 -31.289 -2.101 -2.539 104 1HB ALA 13 HB1 ALA 13 -31.884 0.238 -4.372 105 2HB ALA 13 HB3 ALA 13 -32.371 0.142 -2.683 106 3HB ALA 13 HB2 ALA 13 -30.658 0.188 -3.106 107 H HIS 14 HN HIS 14 -33.389 -2.417 -1.843 108 HA HIS 14 HA HIS 14 -35.152 -3.812 -3.635 109 1HB HIS 14 HB2 HIS 14 -35.431 -2.890 -0.769 110 2HB HIS 14 HB1 HIS 14 -36.715 -3.742 -1.618 111 HD1 HIS 14 HD1 HIS 14 -33.520 -4.267 0.115 112 HD2 HIS 14 HD2 HIS 14 -36.038 -6.497 -2.297 113 HE1 HIS 14 HE1 HIS 14 -32.756 -6.636 0.399 114 H ASN 15 HN ASN 15 -34.721 -0.520 -2.814 115 HA ASN 15 HA ASN 15 -37.421 0.312 -3.582 116 1HB ASN 15 HB2 ASN 15 -36.054 1.317 -1.665 117 2HB ASN 15 HB1 ASN 15 -35.070 2.090 -2.905 118 1HD2 ASN 15 HD22 ASN 15 -37.332 4.768 -2.478 119 2HD2 ASN 15 HD21 ASN 15 -35.751 4.135 -2.105 120 H LYS 16 HN LYS 16 -35.310 -0.910 -5.437 121 HA LYS 16 HA LYS 16 -34.824 -0.833 -7.653 122 1HB LYS 16 HB2 LYS 16 -36.483 1.699 -7.737 123 2HB LYS 16 HB1 LYS 16 -35.872 0.828 -9.131 124 1HG LYS 16 HG2 LYS 16 -37.470 -0.745 -7.178 125 2HG LYS 16 HG1 LYS 16 -38.337 0.440 -8.149 126 1HD LYS 16 HD2 LYS 16 -37.613 -0.583 -10.180 127 2HD LYS 16 HD1 LYS 16 -36.463 -1.614 -9.334 128 1HE LYS 16 HE2 LYS 16 -38.408 -2.695 -8.176 129 2HE LYS 16 HE1 LYS 16 -39.486 -1.762 -9.210 130 1HZ LYS 16 HZ3 LYS 16 -38.314 -2.767 -11.136 131 2HZ LYS 16 HZ2 LYS 16 -37.500 -3.793 -10.045 132 3HZ LYS 16 HZ1 LYS 16 -39.198 -3.880 -10.182 133 H LYS 17 HN LYS 17 -33.364 0.140 -9.136 134 HA LYS 17 HA LYS 17 -31.376 1.160 -9.661 135 1HB LYS 17 HB2 LYS 17 -32.510 3.531 -8.175 136 2HB LYS 17 HB1 LYS 17 -31.280 3.552 -9.432 137 1HG LYS 17 HG2 LYS 17 -34.189 2.782 -9.767 138 2HG LYS 17 HG1 LYS 17 -33.410 4.240 -10.367 139 1HD LYS 17 HD2 LYS 17 -32.855 1.400 -11.257 140 2HD LYS 17 HD1 LYS 17 -33.680 2.649 -12.178 141 1HE LYS 17 HE2 LYS 17 -31.374 3.939 -11.709 142 2HE LYS 17 HE1 LYS 17 -30.769 2.289 -11.640 143 1HZ LYS 17 HZ3 LYS 17 -32.225 2.162 -13.845 144 2HZ LYS 17 HZ2 LYS 17 -31.787 3.804 -13.908 145 3HZ LYS 17 HZ1 LYS 17 -30.581 2.597 -13.840 146 H ALA 18 HN ALA 18 -29.927 3.112 -8.296 147 HA ALA 18 HA ALA 18 -29.185 1.947 -5.703 148 1HB ALA 18 HB1 ALA 18 -27.826 0.916 -7.649 149 2HB ALA 18 HB3 ALA 18 -27.046 2.494 -7.760 150 3HB ALA 18 HB2 ALA 18 -26.932 1.555 -6.269 151 H SER 19 HN SER 19 -27.704 3.349 -4.507 152 HA SER 19 HA SER 19 -27.332 6.100 -5.401 153 1HB SER 19 HB2 SER 19 -29.077 5.480 -2.992 154 2HB SER 19 HB1 SER 19 -28.522 7.083 -3.473 155 HG SER 19 HG SER 19 -29.668 5.916 -5.593 156 H SER 20 HN SER 20 -25.186 5.072 -5.180 157 HA SER 20 HA SER 20 -24.141 5.413 -2.429 158 1HB SER 20 HB2 SER 20 -22.590 3.419 -3.013 159 2HB SER 20 HB1 SER 20 -24.247 3.071 -2.527 160 HG SER 20 HG SER 20 -24.184 1.926 -4.343 161 H ARG 21 HN ARG 21 -22.771 4.395 -5.532 162 HA ARG 21 HA ARG 21 -21.190 6.886 -5.704 163 1HB ARG 21 HB2 ARG 21 -20.158 4.055 -5.639 164 2HB ARG 21 HB1 ARG 21 -19.286 5.302 -6.526 165 1HG ARG 21 HG2 ARG 21 -19.706 6.579 -4.160 166 2HG ARG 21 HG1 ARG 21 -19.582 4.911 -3.611 167 1HD ARG 21 HD2 ARG 21 -17.375 5.835 -3.542 168 2HD ARG 21 HD1 ARG 21 -17.432 4.739 -4.920 169 HE ARG 21 HE ARG 21 -17.655 6.725 -6.380 170 1HH1 ARG 21 HH11 ARG 21 -18.274 9.061 -4.899 171 2HH1 ARG 21 HH12 ARG 21 -16.743 9.759 -4.425 172 1HH2 ARG 21 HH21 ARG 21 -14.932 6.777 -4.955 173 2HH2 ARG 21 HH22 ARG 21 -14.838 8.440 -4.428 174 H SER 22 HN SER 22 -21.027 7.668 -7.716 175 HA SER 22 HA SER 22 -22.428 6.252 -9.881 176 1HB SER 22 HB2 SER 22 -21.369 9.092 -9.747 177 2HB SER 22 HB1 SER 22 -22.386 8.413 -11.019 178 HG SER 22 HG SER 22 -23.936 7.953 -9.254 179 H TRP 23 HN TRP 23 -21.099 4.838 -10.844 180 HA TRP 23 HA TRP 23 -19.441 3.961 -12.105 181 1HB TRP 23 HB2 TRP 23 -18.954 6.891 -12.624 182 2HB TRP 23 HB1 TRP 23 -17.840 5.681 -13.244 183 HD1 TRP 23 HD1 TRP 23 -20.954 7.425 -14.234 184 HE1 TRP 23 HE1 TRP 23 -22.102 6.187 -16.155 185 HE3 TRP 23 HE3 TRP 23 -18.345 3.046 -14.098 186 HZ2 TRP 23 HZ2 TRP 23 -21.933 3.670 -17.465 187 HZ3 TRP 23 HZ3 TRP 23 -18.857 1.271 -15.705 188 HH2 TRP 23 HH2 TRP 23 -20.640 1.573 -17.386 189 H HIS 24 HN HIS 24 -18.513 2.839 -10.529 190 HA HIS 24 HA HIS 24 -16.315 3.999 -8.941 191 1HB HIS 24 HB2 HIS 24 -18.347 2.688 -7.968 192 2HB HIS 24 HB1 HIS 24 -17.545 1.258 -8.601 193 HD1 HIS 24 HD1 HIS 24 -18.055 2.170 -5.522 194 HD2 HIS 24 HD2 HIS 24 -14.458 2.088 -7.578 195 HE1 HIS 24 HE1 HIS 24 -16.295 2.052 -3.746 196 H ASN 25 HN ASN 25 -14.380 3.798 -9.947 197 HA ASN 25 HA ASN 25 -13.779 1.723 -11.876 198 1HB ASN 25 HB2 ASN 25 -12.790 4.073 -11.839 199 2HB ASN 25 HB1 ASN 25 -11.808 3.552 -10.474 200 1HD2 ASN 25 HD22 ASN 25 -9.659 3.083 -13.378 201 2HD2 ASN 25 HD21 ASN 25 -10.335 4.372 -12.428 202 H VAL 26 HN VAL 26 -13.649 -0.319 -11.147 203 HA VAL 26 HA VAL 26 -12.049 -0.882 -8.720 204 HB VAL 26 HB VAL 26 -14.549 -0.986 -8.442 205 1HG1 VAL 26 HG13 VAL 26 -15.118 -1.929 -10.629 206 2HG1 VAL 26 HG12 VAL 26 -14.321 -3.440 -10.186 207 3HG1 VAL 26 HG11 VAL 26 -15.756 -2.909 -9.311 208 1HG2 VAL 26 HG23 VAL 26 -12.930 -2.174 -6.988 209 2HG2 VAL 26 HG22 VAL 26 -14.525 -2.927 -7.068 210 3HG2 VAL 26 HG21 VAL 26 -13.180 -3.619 -7.973 211 H TYR 27 HN TYR 27 -11.139 -3.014 -8.611 212 HA TYR 27 HA TYR 27 -10.255 -4.039 -11.233 213 1HB TYR 27 HB2 TYR 27 -8.649 -3.286 -9.414 214 2HB TYR 27 HB1 TYR 27 -9.172 -4.675 -8.482 215 HD1 TYR 27 HD1 TYR 27 -7.265 -3.531 -11.374 216 HD2 TYR 27 HD2 TYR 27 -8.532 -6.940 -9.144 217 HE1 TYR 27 HE1 TYR 27 -5.540 -4.891 -12.475 218 HE2 TYR 27 HE2 TYR 27 -6.807 -8.304 -10.257 219 HH TYR 27 HH TYR 27 -5.325 -7.585 -12.974 220 H CYS 28 HN CYS 28 -11.435 -5.701 -11.974 221 HA CYS 28 HA CYS 28 -12.864 -7.474 -10.113 222 1HB CYS 28 HB2 CYS 28 -13.060 -7.374 -13.127 223 2HB CYS 28 HB1 CYS 28 -14.165 -8.157 -12.005 224 HG CYS 28 HG CYS 28 -13.885 -5.066 -11.905 225 H VAL 29 HN VAL 29 -12.408 -9.550 -9.830 226 HA VAL 29 HA VAL 29 -10.261 -10.832 -11.429 227 HB VAL 29 HB VAL 29 -10.830 -11.175 -8.469 228 1HG1 VAL 29 HG11 VAL 29 -9.236 -12.695 -10.392 229 2HG1 VAL 29 HG13 VAL 29 -8.300 -12.155 -8.994 230 3HG1 VAL 29 HG12 VAL 29 -9.757 -13.124 -8.764 231 1HG2 VAL 29 HG23 VAL 29 -9.858 -8.969 -8.984 232 2HG2 VAL 29 HG22 VAL 29 -8.769 -9.994 -8.051 233 3HG2 VAL 29 HG21 VAL 29 -8.504 -9.772 -9.779 234 H ILE 30 HN ILE 30 -11.355 -12.266 -12.699 235 HA ILE 30 HA ILE 30 -13.726 -13.668 -11.705 236 HB ILE 30 HB ILE 30 -12.289 -13.754 -14.366 237 1HG1 ILE 30 HG12 ILE 30 -14.944 -12.530 -13.579 238 2HG1 ILE 30 HG11 ILE 30 -13.455 -11.637 -13.873 239 1HG2 ILE 30 HG21 ILE 30 -14.739 -15.221 -13.400 240 2HG2 ILE 30 HG23 ILE 30 -14.450 -14.907 -15.113 241 3HG2 ILE 30 HG22 ILE 30 -13.303 -15.877 -14.187 242 1HD1 ILE 30 HD12 ILE 30 -14.809 -13.391 -15.931 243 2HD1 ILE 30 HD11 ILE 30 -15.029 -11.646 -15.812 244 3HD1 ILE 30 HD13 ILE 30 -13.437 -12.308 -16.189 245 H ASN 31 HN ASN 31 -13.630 -15.569 -10.705 246 HA ASN 31 HA ASN 31 -11.575 -17.550 -11.384 247 1HB ASN 31 HB2 ASN 31 -10.700 -15.998 -9.516 248 2HB ASN 31 HB1 ASN 31 -11.913 -16.753 -8.485 249 1HD2 ASN 31 HD22 ASN 31 -10.001 -19.614 -7.920 250 2HD2 ASN 31 HD21 ASN 31 -11.393 -18.644 -7.537 251 H ASN 32 HN ASN 32 -12.282 -19.620 -11.119 252 HA ASN 32 HA ASN 32 -13.710 -21.377 -10.813 253 1HB ASN 32 HB2 ASN 32 -13.401 -20.674 -8.398 254 2HB ASN 32 HB1 ASN 32 -14.909 -19.780 -8.523 255 1HD2 ASN 32 HD22 ASN 32 -16.060 -22.868 -7.111 256 2HD2 ASN 32 HD21 ASN 32 -15.345 -21.343 -6.694 257 H GLN 33 HN GLN 33 -16.287 -19.514 -9.493 258 HA GLN 33 HA GLN 33 -17.532 -18.986 -12.104 259 1HB GLN 33 HB2 GLN 33 -18.710 -20.750 -9.953 260 2HB GLN 33 HB1 GLN 33 -19.700 -19.969 -11.186 261 1HG GLN 33 HG2 GLN 33 -17.892 -21.070 -12.812 262 2HG GLN 33 HG1 GLN 33 -17.712 -22.188 -11.462 263 1HE2 GLN 33 HE22 GLN 33 -20.816 -22.574 -13.954 264 2HE2 GLN 33 HE21 GLN 33 -19.439 -21.550 -14.246 265 H GLU 34 HN GLU 34 -16.303 -17.437 -9.941 266 HA GLU 34 HA GLU 34 -18.490 -15.547 -9.408 267 1HB GLU 34 HB2 GLU 34 -16.423 -16.384 -7.349 268 2HB GLU 34 HB1 GLU 34 -17.670 -15.168 -7.122 269 1HG GLU 34 HG2 GLU 34 -18.962 -16.789 -6.275 270 2HG GLU 34 HG1 GLU 34 -19.089 -17.437 -7.905 271 H MET 35 HN MET 35 -17.539 -13.421 -8.684 272 HA MET 35 HA MET 35 -14.888 -12.909 -9.868 273 1HB MET 35 HB2 MET 35 -15.647 -10.876 -10.880 274 2HB MET 35 HB1 MET 35 -16.725 -12.164 -11.401 275 1HG MET 35 HG2 MET 35 -18.358 -11.463 -9.673 276 2HG MET 35 HG1 MET 35 -17.292 -10.134 -9.236 277 1HE MET 35 HE3 MET 35 -20.066 -9.626 -9.678 278 2HE MET 35 HE2 MET 35 -20.510 -8.737 -11.130 279 3HE MET 35 HE1 MET 35 -20.614 -10.496 -11.115 280 H GLY 36 HN GLY 36 -13.575 -11.739 -8.631 281 1HA GLY 36 HA2 GLY 36 -14.536 -10.828 -6.002 282 2HA GLY 36 HA1 GLY 36 -12.875 -11.213 -6.423 283 H PHE 37 HN PHE 37 -14.817 -8.719 -5.671 284 HA PHE 37 HA PHE 37 -13.730 -6.744 -7.558 285 1HB PHE 37 HB2 PHE 37 -15.715 -6.531 -5.278 286 2HB PHE 37 HB1 PHE 37 -15.164 -5.154 -6.223 287 HD1 PHE 37 HD1 PHE 37 -15.188 -5.908 -8.934 288 HD2 PHE 37 HD2 PHE 37 -17.876 -7.118 -5.838 289 HE1 PHE 37 HE1 PHE 37 -16.926 -6.363 -10.618 290 HE2 PHE 37 HE2 PHE 37 -19.612 -7.565 -7.525 291 HZ PHE 37 HZ PHE 37 -19.161 -7.133 -9.905 292 H TYR 38 HN TYR 38 -11.739 -6.036 -7.150 293 HA TYR 38 HA TYR 38 -10.945 -5.448 -4.349 294 1HB TYR 38 HB2 TYR 38 -9.307 -6.616 -6.606 295 2HB TYR 38 HB1 TYR 38 -8.608 -5.999 -5.115 296 HD1 TYR 38 HD1 TYR 38 -9.201 -7.062 -2.941 297 HD2 TYR 38 HD2 TYR 38 -10.307 -8.762 -6.689 298 HE1 TYR 38 HE1 TYR 38 -9.611 -9.218 -1.832 299 HE2 TYR 38 HE2 TYR 38 -10.715 -10.930 -5.602 300 HH TYR 38 HH TYR 38 -9.928 -12.122 -3.462 301 H LYS 39 HN LYS 39 -8.935 -3.943 -4.397 302 HA LYS 39 HA LYS 39 -9.715 -1.512 -5.737 303 1HB LYS 39 HB2 LYS 39 -8.590 -1.881 -3.379 304 2HB LYS 39 HB1 LYS 39 -7.099 -1.793 -4.308 305 1HG LYS 39 HG2 LYS 39 -7.316 0.434 -3.889 306 2HG LYS 39 HG1 LYS 39 -8.367 0.375 -5.304 307 1HD LYS 39 HD2 LYS 39 -10.307 0.013 -3.767 308 2HD LYS 39 HD1 LYS 39 -9.217 0.256 -2.405 309 1HE LYS 39 HE2 LYS 39 -8.652 2.514 -3.410 310 2HE LYS 39 HE1 LYS 39 -9.977 2.253 -4.542 311 1HZ LYS 39 HZ3 LYS 39 -10.606 1.845 -1.735 312 2HZ LYS 39 HZ2 LYS 39 -10.278 3.460 -2.195 313 3HZ LYS 39 HZ1 LYS 39 -11.523 2.580 -2.964 314 H ASP 40 HN ASP 40 -6.975 -3.764 -5.982 315 HA ASP 40 HA ASP 40 -6.543 -3.128 -8.759 316 1HB ASP 40 HB2 ASP 40 -4.270 -2.295 -8.562 317 2HB ASP 40 HB1 ASP 40 -5.349 -1.240 -7.662 318 H ALA 41 HN ALA 41 -4.135 -4.198 -9.248 319 HA ALA 41 HA ALA 41 -4.509 -6.981 -9.045 320 1HB ALA 41 HB2 ALA 41 -3.109 -5.891 -10.765 321 2HB ALA 41 HB1 ALA 41 -1.907 -5.515 -9.531 322 3HB ALA 41 HB3 ALA 41 -2.258 -7.194 -9.936 323 H LYS 42 HN LYS 42 -2.541 -4.784 -7.051 324 HA LYS 42 HA LYS 42 -1.231 -6.759 -5.476 325 1HB LYS 42 HB2 LYS 42 -1.959 -3.886 -4.851 326 2HB LYS 42 HB1 LYS 42 -0.937 -4.891 -3.825 327 1HG LYS 42 HG2 LYS 42 0.519 -5.245 -5.910 328 2HG LYS 42 HG1 LYS 42 -0.382 -3.920 -6.628 329 1HD LYS 42 HD2 LYS 42 1.176 -3.750 -4.036 330 2HD LYS 42 HD1 LYS 42 1.757 -3.187 -5.600 331 1HE LYS 42 HE2 LYS 42 -0.628 -2.136 -4.057 332 2HE LYS 42 HE1 LYS 42 0.893 -1.299 -4.346 333 1HZ LYS 42 HZ3 LYS 42 0.082 -1.885 -6.847 334 2HZ LYS 42 HZ2 LYS 42 -1.405 -1.582 -6.060 335 3HZ LYS 42 HZ1 LYS 42 -0.178 -0.396 -6.060 336 H SER 43 HN SER 43 -4.236 -4.923 -4.935 337 HA SER 43 HA SER 43 -4.930 -6.074 -2.434 338 1HB SER 43 HB2 SER 43 -6.787 -4.964 -4.539 339 2HB SER 43 HB1 SER 43 -7.126 -5.134 -2.818 340 HG SER 43 HG SER 43 -5.196 -3.429 -4.061 341 H ALA 44 HN ALA 44 -5.426 -7.129 -5.737 342 HA ALA 44 HA ALA 44 -7.331 -9.212 -5.146 343 1HB ALA 44 HB3 ALA 44 -5.672 -8.536 -7.581 344 2HB ALA 44 HB2 ALA 44 -6.741 -9.933 -7.518 345 3HB ALA 44 HB1 ALA 44 -7.406 -8.309 -7.344 346 H ALA 45 HN ALA 45 -3.884 -9.180 -6.054 347 HA ALA 45 HA ALA 45 -3.413 -11.950 -5.822 348 1HB ALA 45 HB1 ALA 45 -1.500 -9.622 -5.525 349 2HB ALA 45 HB3 ALA 45 -1.019 -11.309 -5.728 350 3HB ALA 45 HB2 ALA 45 -1.892 -10.482 -7.017 351 H SER 46 HN SER 46 -2.862 -9.322 -3.482 352 HA SER 46 HA SER 46 -1.891 -11.042 -1.402 353 1HB SER 46 HB2 SER 46 -1.573 -8.458 -1.805 354 2HB SER 46 HB1 SER 46 -3.040 -8.326 -0.842 355 HG SER 46 HG SER 46 -0.750 -9.812 -0.015 356 H GLY 47 HN GLY 47 -5.062 -9.742 -2.241 357 1HA GLY 47 HA2 GLY 47 -7.153 -10.620 -1.680 358 2HA GLY 47 HA1 GLY 47 -6.385 -11.658 -0.481 359 H ILE 48 HN ILE 48 -6.904 -8.195 -1.137 360 HA ILE 48 HA ILE 48 -7.184 -7.671 1.756 361 HB ILE 48 HB ILE 48 -6.830 -5.696 -0.509 362 1HG1 ILE 48 HG12 ILE 48 -4.755 -6.836 1.375 363 2HG1 ILE 48 HG11 ILE 48 -4.887 -7.204 -0.340 364 1HG2 ILE 48 HG22 ILE 48 -7.840 -4.786 1.573 365 2HG2 ILE 48 HG21 ILE 48 -6.420 -5.337 2.462 366 3HG2 ILE 48 HG23 ILE 48 -6.254 -4.103 1.214 367 1HD1 ILE 48 HD12 ILE 48 -4.791 -4.452 -0.337 368 2HD1 ILE 48 HD11 ILE 48 -3.710 -4.879 0.990 369 3HD1 ILE 48 HD13 ILE 48 -3.418 -5.526 -0.625 370 HA PRO 49 HA PRO 49 -11.583 -7.347 1.090 371 1HB PRO 49 HB2 PRO 49 -12.259 -6.122 3.426 372 2HB PRO 49 HB1 PRO 49 -11.875 -7.843 3.282 373 1HG PRO 49 HG2 PRO 49 -10.162 -5.588 4.236 374 2HG PRO 49 HG1 PRO 49 -10.302 -7.238 4.865 375 1HD PRO 49 HD2 PRO 49 -8.252 -6.413 3.267 376 2HD PRO 49 HD1 PRO 49 -8.835 -8.087 3.314 377 H TYR 50 HN TYR 50 -11.750 -5.939 -0.605 378 HA TYR 50 HA TYR 50 -11.321 -3.118 -0.494 379 1HB TYR 50 HB2 TYR 50 -11.088 -3.921 -2.622 380 2HB TYR 50 HB1 TYR 50 -12.364 -5.107 -2.439 381 HD1 TYR 50 HD1 TYR 50 -11.721 -1.504 -3.036 382 HD2 TYR 50 HD2 TYR 50 -14.543 -4.700 -3.219 383 HE1 TYR 50 HE1 TYR 50 -13.243 -0.090 -4.366 384 HE2 TYR 50 HE2 TYR 50 -16.061 -3.289 -4.539 385 HH TYR 50 HH TYR 50 -15.225 0.071 -5.352 386 H HIS 51 HN HIS 51 -14.182 -5.182 -0.296 387 HA HIS 51 HA HIS 51 -15.676 -3.095 1.101 388 1HB HIS 51 HB2 HIS 51 -16.167 -3.802 -1.685 389 2HB HIS 51 HB1 HIS 51 -17.573 -4.175 -0.705 390 HD1 HIS 51 HD1 HIS 51 -18.879 -2.199 0.278 391 HD2 HIS 51 HD2 HIS 51 -15.520 -1.018 -1.834 392 HE1 HIS 51 HE1 HIS 51 -19.126 0.281 -0.006 393 H SER 52 HN SER 52 -18.142 -4.446 1.196 394 HA SER 52 HA SER 52 -17.478 -6.628 2.996 395 1HB SER 52 HB2 SER 52 -20.285 -5.970 2.151 396 2HB SER 52 HB1 SER 52 -19.696 -6.562 3.701 397 HG SER 52 HG SER 52 -19.589 -3.950 2.617 398 H GLU 53 HN GLU 53 -19.448 -6.312 0.040 399 HA GLU 53 HA GLU 53 -19.526 -9.201 -0.364 400 1HB GLU 53 HB2 GLU 53 -20.570 -7.179 -2.333 401 2HB GLU 53 HB1 GLU 53 -21.162 -8.790 -1.971 402 1HG GLU 53 HG2 GLU 53 -22.776 -7.549 -0.925 403 2HG GLU 53 HG1 GLU 53 -21.637 -7.694 0.408 404 H VAL 54 HN VAL 54 -17.105 -9.212 -0.524 405 HA VAL 54 HA VAL 54 -15.839 -8.043 -2.824 406 HB VAL 54 HB VAL 54 -14.471 -10.325 -1.518 407 1HG1 VAL 54 HG13 VAL 54 -13.507 -8.648 -3.165 408 2HG1 VAL 54 HG12 VAL 54 -13.557 -7.479 -1.842 409 3HG1 VAL 54 HG11 VAL 54 -12.577 -8.940 -1.693 410 1HG2 VAL 54 HG23 VAL 54 -15.329 -7.890 0.029 411 2HG2 VAL 54 HG22 VAL 54 -15.495 -9.588 0.479 412 3HG2 VAL 54 HG21 VAL 54 -13.903 -8.831 0.466 413 HA PRO 55 HA PRO 55 -16.099 -12.372 -4.744 414 1HB PRO 55 HB2 PRO 55 -16.987 -14.502 -3.319 415 2HB PRO 55 HB1 PRO 55 -15.330 -13.893 -3.232 416 1HG PRO 55 HG2 PRO 55 -17.461 -13.759 -1.235 417 2HG PRO 55 HG1 PRO 55 -15.718 -13.539 -1.034 418 1HD PRO 55 HD2 PRO 55 -17.780 -11.520 -1.257 419 2HD PRO 55 HD1 PRO 55 -16.061 -11.318 -0.892 420 H VAL 56 HN VAL 56 -17.765 -11.574 -6.060 421 HA VAL 56 HA VAL 56 -20.558 -12.171 -5.309 422 HB VAL 56 HB VAL 56 -19.399 -10.473 -7.523 423 1HG1 VAL 56 HG11 VAL 56 -22.207 -11.315 -6.902 424 2HG1 VAL 56 HG13 VAL 56 -21.901 -9.731 -7.620 425 3HG1 VAL 56 HG12 VAL 56 -21.394 -11.195 -8.464 426 1HG2 VAL 56 HG23 VAL 56 -20.473 -9.903 -4.805 427 2HG2 VAL 56 HG22 VAL 56 -19.143 -9.141 -5.679 428 3HG2 VAL 56 HG21 VAL 56 -20.813 -8.748 -6.095 429 H SER 57 HN SER 57 -21.644 -13.812 -6.229 430 HA SER 57 HA SER 57 -20.368 -15.745 -7.833 431 1HB SER 57 HB2 SER 57 -23.290 -15.322 -7.303 432 2HB SER 57 HB1 SER 57 -22.556 -16.788 -7.907 433 HG SER 57 HG SER 57 -21.985 -17.319 -5.951 434 H LEU 58 HN LEU 58 -20.338 -16.115 -9.983 435 HA LEU 58 HA LEU 58 -21.803 -14.263 -11.776 436 1HB LEU 58 HB2 LEU 58 -19.231 -14.040 -11.541 437 2HB LEU 58 HB1 LEU 58 -19.153 -15.553 -12.437 438 HG LEU 58 HG LEU 58 -20.673 -14.374 -14.156 439 1HD1 LEU 58 HD13 LEU 58 -19.643 -11.985 -12.622 440 2HD1 LEU 58 HD12 LEU 58 -20.369 -11.908 -14.229 441 3HD1 LEU 58 HD11 LEU 58 -21.328 -12.453 -12.855 442 1HD2 LEU 58 HD23 LEU 58 -17.777 -13.669 -13.709 443 2HD2 LEU 58 HD22 LEU 58 -18.456 -14.904 -14.774 444 3HD2 LEU 58 HD21 LEU 58 -18.661 -13.198 -15.162 445 H LYS 59 HN LYS 59 -23.141 -16.443 -11.016 446 HA LYS 59 HA LYS 59 -22.691 -18.597 -12.974 447 1HB LYS 59 HB2 LYS 59 -23.081 -19.066 -10.521 448 2HB LYS 59 HB1 LYS 59 -24.730 -18.489 -10.743 449 1HG LYS 59 HG2 LYS 59 -25.279 -20.273 -12.193 450 2HG LYS 59 HG1 LYS 59 -23.586 -20.668 -12.489 451 1HD LYS 59 HD2 LYS 59 -23.365 -21.375 -10.121 452 2HD LYS 59 HD1 LYS 59 -25.084 -21.053 -9.885 453 1HE LYS 59 HE2 LYS 59 -25.674 -22.751 -11.502 454 2HE LYS 59 HE1 LYS 59 -23.981 -23.016 -11.907 455 1HZ LYS 59 HZ2 LYS 59 -24.461 -23.290 -9.107 456 2HZ LYS 59 HZ1 LYS 59 -25.435 -24.351 -10.014 457 3HZ LYS 59 HZ3 LYS 59 -23.744 -24.390 -10.206 458 H GLU 60 HN GLU 60 -23.598 -18.286 -14.890 459 HA GLU 60 HA GLU 60 -25.081 -17.815 -16.556 460 1HB GLU 60 HB2 GLU 60 -27.163 -18.050 -14.368 461 2HB GLU 60 HB1 GLU 60 -27.470 -18.087 -16.101 462 1HG GLU 60 HG2 GLU 60 -25.958 -20.107 -16.235 463 2HG GLU 60 HG1 GLU 60 -25.910 -20.108 -14.472 464 H ALA 61 HN ALA 61 -23.822 -15.637 -15.896 465 HA ALA 61 HA ALA 61 -25.579 -13.466 -15.110 466 1HB ALA 61 HB2 ALA 61 -23.066 -13.643 -14.595 467 2HB ALA 61 HB1 ALA 61 -22.809 -13.176 -16.276 468 3HB ALA 61 HB3 ALA 61 -23.662 -12.089 -15.175 469 H ILE 62 HN ILE 62 -26.670 -12.130 -16.452 470 HA ILE 62 HA ILE 62 -26.644 -12.689 -19.315 471 HB ILE 62 HB ILE 62 -28.195 -10.518 -17.901 472 1HG1 ILE 62 HG12 ILE 62 -28.791 -13.469 -18.132 473 2HG1 ILE 62 HG11 ILE 62 -28.832 -12.445 -16.700 474 1HG2 ILE 62 HG22 ILE 62 -27.912 -10.987 -20.563 475 2HG2 ILE 62 HG21 ILE 62 -29.325 -11.984 -20.211 476 3HG2 ILE 62 HG23 ILE 62 -29.345 -10.262 -19.835 477 1HD1 ILE 62 HD13 ILE 62 -30.719 -11.164 -17.949 478 2HD1 ILE 62 HD12 ILE 62 -30.816 -12.621 -18.946 479 3HD1 ILE 62 HD11 ILE 62 -31.092 -12.720 -17.207 480 H CYS 63 HN CYS 63 -25.537 -11.554 -20.769 481 HA CYS 63 HA CYS 63 -24.306 -8.987 -19.944 482 1HB CYS 63 HB2 CYS 63 -22.894 -11.238 -20.242 483 2HB CYS 63 HB1 CYS 63 -22.913 -10.719 -21.922 484 HG CYS 63 HG CYS 63 -21.814 -8.888 -19.658 485 H GLU 64 HN GLU 64 -25.058 -7.359 -21.089 486 HA GLU 64 HA GLU 64 -25.750 -7.736 -23.953 487 1HB GLU 64 HB2 GLU 64 -27.794 -7.411 -22.653 488 2HB GLU 64 HB1 GLU 64 -27.119 -5.979 -21.891 489 1HG GLU 64 HG2 GLU 64 -28.716 -5.384 -23.662 490 2HG GLU 64 HG1 GLU 64 -27.097 -4.811 -24.051 491 H VAL 65 HN VAL 65 -25.144 -6.014 -25.320 492 HA VAL 65 HA VAL 65 -22.885 -4.440 -24.312 493 HB VAL 65 HB VAL 65 -23.921 -4.672 -27.137 494 1HG1 VAL 65 HG13 VAL 65 -21.533 -3.408 -25.865 495 2HG1 VAL 65 HG12 VAL 65 -21.321 -4.181 -27.437 496 3HG1 VAL 65 HG11 VAL 65 -22.492 -2.877 -27.251 497 1HG2 VAL 65 HG21 VAL 65 -22.147 -6.445 -25.519 498 2HG2 VAL 65 HG23 VAL 65 -23.345 -6.864 -26.744 499 3HG2 VAL 65 HG22 VAL 65 -21.777 -6.217 -27.228 500 H ALA 66 HN ALA 66 -22.844 -2.313 -24.064 501 HA ALA 66 HA ALA 66 -25.186 -0.661 -24.841 502 1HB ALA 66 HB2 ALA 66 -25.040 -0.990 -22.380 503 2HB ALA 66 HB1 ALA 66 -23.406 -0.328 -22.405 504 3HB ALA 66 HB3 ALA 66 -24.776 0.695 -22.846 505 H LEU 67 HN LEU 67 -24.125 -0.280 -26.827 506 HA LEU 67 HA LEU 67 -21.478 0.667 -27.102 507 1HB LEU 67 HB2 LEU 67 -23.506 -0.143 -28.812 508 2HB LEU 67 HB1 LEU 67 -23.328 1.562 -29.201 509 HG LEU 67 HG LEU 67 -21.894 0.331 -30.641 510 1HD1 LEU 67 HD21 LEU 67 -21.017 2.444 -29.469 511 2HD1 LEU 67 HD23 LEU 67 -19.980 1.338 -28.562 512 3HD1 LEU 67 HD22 LEU 67 -19.860 1.422 -30.316 513 1HD2 LEU 67 HD12 LEU 67 -20.729 -0.982 -28.185 514 2HD2 LEU 67 HD11 LEU 67 -21.748 -1.752 -29.404 515 3HD2 LEU 67 HD13 LEU 67 -20.135 -1.181 -29.834 516 H ASP 68 HN ASP 68 -24.564 2.456 -27.226 517 HA ASP 68 HA ASP 68 -23.061 4.965 -26.717 518 1HB ASP 68 HB2 ASP 68 -24.249 4.874 -28.892 519 2HB ASP 68 HB1 ASP 68 -25.769 4.623 -28.037 520 H TYR 69 HN TYR 69 -23.083 4.509 -24.459 521 HA TYR 69 HA TYR 69 -25.706 4.847 -23.128 522 1HB TYR 69 HB2 TYR 69 -24.350 2.884 -22.423 523 2HB TYR 69 HB1 TYR 69 -23.051 3.975 -21.947 524 HD1 TYR 69 HD1 TYR 69 -26.743 3.596 -21.363 525 HD2 TYR 69 HD2 TYR 69 -22.907 4.481 -19.699 526 HE1 TYR 69 HE1 TYR 69 -27.756 3.822 -19.126 527 HE2 TYR 69 HE2 TYR 69 -23.926 4.705 -17.471 528 HH TYR 69 HH TYR 69 -26.111 3.716 -16.331 529 H LYS 70 HN LYS 70 -23.965 6.850 -24.539 530 HA LYS 70 HA LYS 70 -23.516 9.066 -24.392 531 1HB LYS 70 HB2 LYS 70 -24.529 8.956 -21.544 532 2HB LYS 70 HB1 LYS 70 -24.240 10.403 -22.499 533 1HG LYS 70 HG2 LYS 70 -26.043 8.446 -23.775 534 2HG LYS 70 HG1 LYS 70 -26.648 9.133 -22.274 535 1HD LYS 70 HD2 LYS 70 -27.436 10.555 -23.998 536 2HD LYS 70 HD1 LYS 70 -26.113 11.419 -23.225 537 1HE LYS 70 HE2 LYS 70 -25.950 11.657 -25.632 538 2HE LYS 70 HE1 LYS 70 -24.595 10.705 -25.048 539 1HZ LYS 70 HZ2 LYS 70 -27.061 9.603 -26.282 540 2HZ LYS 70 HZ1 LYS 70 -25.552 9.773 -27.059 541 3HZ LYS 70 HZ3 LYS 70 -25.720 8.694 -25.760 542 H LYS 71 HN LYS 71 -22.579 7.419 -21.382 543 HA LYS 71 HA LYS 71 -20.126 8.976 -21.155 544 1HB LYS 71 HB2 LYS 71 -21.117 6.605 -19.548 545 2HB LYS 71 HB1 LYS 71 -19.712 7.590 -19.157 546 1HG LYS 71 HG2 LYS 71 -21.901 9.365 -19.548 547 2HG LYS 71 HG1 LYS 71 -22.469 8.058 -18.514 548 1HD LYS 71 HD2 LYS 71 -20.983 8.563 -16.816 549 2HD LYS 71 HD1 LYS 71 -19.822 9.314 -17.909 550 1HE LYS 71 HE2 LYS 71 -22.097 10.918 -18.133 551 2HE LYS 71 HE1 LYS 71 -22.034 10.512 -16.422 552 1HZ LYS 71 HZ3 LYS 71 -19.564 11.166 -16.645 553 2HZ LYS 71 HZ2 LYS 71 -20.061 11.975 -18.063 554 3HZ LYS 71 HZ1 LYS 71 -20.736 12.394 -16.549 555 H LYS 72 HN LYS 72 -18.645 8.534 -22.647 556 HA LYS 72 HA LYS 72 -17.012 7.452 -23.837 557 1HB LYS 72 HB2 LYS 72 -17.632 5.103 -22.043 558 2HB LYS 72 HB1 LYS 72 -16.254 5.243 -23.116 559 1HG LYS 72 HG2 LYS 72 -15.829 7.476 -21.783 560 2HG LYS 72 HG1 LYS 72 -16.801 6.677 -20.553 561 1HD LYS 72 HD2 LYS 72 -14.752 5.887 -19.911 562 2HD LYS 72 HD1 LYS 72 -15.140 4.652 -21.103 563 1HE LYS 72 HE2 LYS 72 -13.106 5.174 -21.947 564 2HE LYS 72 HE1 LYS 72 -13.979 6.501 -22.705 565 1HZ LYS 72 HZ2 LYS 72 -13.310 7.385 -20.170 566 2HZ LYS 72 HZ1 LYS 72 -11.913 6.598 -20.764 567 3HZ LYS 72 HZ3 LYS 72 -12.608 7.869 -21.650 568 H LYS 73 HN LYS 73 -16.852 4.893 -24.839 569 HA LYS 73 HA LYS 73 -19.368 4.511 -26.358 570 1HB LYS 73 HB2 LYS 73 -17.891 4.190 -28.411 571 2HB LYS 73 HB1 LYS 73 -18.074 5.837 -27.819 572 1HG LYS 73 HG2 LYS 73 -15.882 6.037 -27.357 573 2HG LYS 73 HG1 LYS 73 -15.802 4.457 -26.590 574 1HD LYS 73 HD2 LYS 73 -14.391 4.160 -28.397 575 2HD LYS 73 HD1 LYS 73 -15.911 3.538 -29.032 576 1HE LYS 73 HE2 LYS 73 -16.339 5.676 -30.158 577 2HE LYS 73 HE1 LYS 73 -14.856 6.344 -29.479 578 1HZ LYS 73 HZ1 LYS 73 -13.874 4.197 -30.645 579 2HZ LYS 73 HZ3 LYS 73 -15.213 4.455 -31.669 580 3HZ LYS 73 HZ2 LYS 73 -14.044 5.682 -31.455 581 H HIS 74 HN HIS 74 -17.901 2.907 -24.169 582 HA HIS 74 HA HIS 74 -18.272 0.328 -25.469 583 1HB HIS 74 HB2 HIS 74 -15.575 1.283 -24.537 584 2HB HIS 74 HB1 HIS 74 -15.981 -0.423 -24.425 585 HD1 HIS 74 HD1 HIS 74 -14.303 1.730 -26.583 586 HD2 HIS 74 HD2 HIS 74 -17.097 -1.251 -27.215 587 HE1 HIS 74 HE1 HIS 74 -14.024 1.078 -28.984 588 H VAL 75 HN VAL 75 -20.055 0.420 -23.966 589 HA VAL 75 HA VAL 75 -19.281 -0.350 -21.208 590 HB VAL 75 HB VAL 75 -21.763 1.159 -22.071 591 1HG1 VAL 75 HG12 VAL 75 -20.772 0.189 -19.404 592 2HG1 VAL 75 HG11 VAL 75 -21.893 1.544 -19.530 593 3HG1 VAL 75 HG13 VAL 75 -22.358 -0.043 -20.141 594 1HG2 VAL 75 HG22 VAL 75 -19.102 2.086 -21.214 595 2HG2 VAL 75 HG21 VAL 75 -20.343 2.907 -22.163 596 3HG2 VAL 75 HG23 VAL 75 -20.469 2.853 -20.403 597 H PHE 76 HN PHE 76 -20.705 -1.966 -20.242 598 HA PHE 76 HA PHE 76 -22.616 -3.272 -22.020 599 1HB PHE 76 HB2 PHE 76 -21.691 -5.501 -21.755 600 2HB PHE 76 HB1 PHE 76 -20.543 -4.442 -22.551 601 HD1 PHE 76 HD1 PHE 76 -18.500 -3.709 -21.385 602 HD2 PHE 76 HD2 PHE 76 -21.228 -6.486 -19.628 603 HE1 PHE 76 HE1 PHE 76 -16.755 -4.415 -19.796 604 HE2 PHE 76 HE2 PHE 76 -19.486 -7.187 -18.032 605 HZ PHE 76 HZ PHE 76 -17.249 -6.156 -18.120 606 H LYS 77 HN LYS 77 -24.199 -4.349 -21.020 607 HA LYS 77 HA LYS 77 -24.673 -3.727 -18.208 608 1HB LYS 77 HB2 LYS 77 -26.276 -3.745 -20.428 609 2HB LYS 77 HB1 LYS 77 -26.652 -5.324 -19.743 610 1HG LYS 77 HG2 LYS 77 -26.803 -2.723 -18.216 611 2HG LYS 77 HG1 LYS 77 -28.168 -3.494 -19.000 612 1HD LYS 77 HD2 LYS 77 -26.688 -5.286 -17.207 613 2HD LYS 77 HD1 LYS 77 -27.399 -3.908 -16.383 614 1HE LYS 77 HE2 LYS 77 -28.855 -5.874 -18.168 615 2HE LYS 77 HE1 LYS 77 -28.917 -5.833 -16.410 616 1HZ LYS 77 HZ3 LYS 77 -29.564 -3.281 -17.319 617 2HZ LYS 77 HZ2 LYS 77 -30.465 -4.389 -18.253 618 3HZ LYS 77 HZ1 LYS 77 -30.572 -4.415 -16.548 619 H LEU 78 HN LEU 78 -24.273 -5.141 -16.619 620 HA LEU 78 HA LEU 78 -24.128 -8.030 -17.261 621 1HB LEU 78 HB2 LEU 78 -21.915 -6.846 -16.742 622 2HB LEU 78 HB1 LEU 78 -22.509 -6.700 -15.097 623 HG LEU 78 HG LEU 78 -22.726 -9.099 -14.959 624 1HD1 LEU 78 HD12 LEU 78 -22.283 -8.944 -17.843 625 2HD1 LEU 78 HD11 LEU 78 -21.369 -10.214 -17.044 626 3HD1 LEU 78 HD13 LEU 78 -23.123 -10.170 -16.895 627 1HD2 LEU 78 HD23 LEU 78 -20.078 -7.987 -15.763 628 2HD2 LEU 78 HD22 LEU 78 -20.653 -8.453 -14.162 629 3HD2 LEU 78 HD21 LEU 78 -20.241 -9.695 -15.347 630 H ARG 79 HN ARG 79 -25.809 -8.984 -16.418 631 HA ARG 79 HA ARG 79 -26.839 -8.145 -13.766 632 1HB ARG 79 HB2 ARG 79 -28.297 -8.094 -16.001 633 2HB ARG 79 HB1 ARG 79 -28.475 -9.805 -15.647 634 1HG ARG 79 HG2 ARG 79 -28.913 -8.510 -13.196 635 2HG ARG 79 HG1 ARG 79 -29.748 -7.523 -14.393 636 1HD ARG 79 HD2 ARG 79 -30.740 -9.752 -15.252 637 2HD ARG 79 HD1 ARG 79 -30.196 -10.427 -13.714 638 HE ARG 79 HE ARG 79 -31.967 -8.040 -13.794 639 1HH1 ARG 79 HH21 ARG 79 -32.359 -8.171 -11.277 640 2HH1 ARG 79 HH22 ARG 79 -33.249 -9.607 -10.824 641 1HH2 ARG 79 HH11 ARG 79 -32.613 -11.284 -13.856 642 2HH2 ARG 79 HH12 ARG 79 -33.353 -11.408 -12.275 643 H LEU 80 HN LEU 80 -26.853 -9.651 -12.174 644 HA LEU 80 HA LEU 80 -25.473 -12.147 -12.563 645 1HB LEU 80 HB2 LEU 80 -27.033 -11.013 -10.228 646 2HB LEU 80 HB1 LEU 80 -26.155 -12.538 -10.161 647 HG LEU 80 HG LEU 80 -24.990 -9.806 -10.697 648 1HD1 LEU 80 HD12 LEU 80 -25.662 -10.454 -8.321 649 2HD1 LEU 80 HD11 LEU 80 -24.344 -11.627 -8.395 650 3HD1 LEU 80 HD13 LEU 80 -24.003 -9.903 -8.571 651 1HD2 LEU 80 HD23 LEU 80 -23.862 -12.531 -11.024 652 2HD2 LEU 80 HD22 LEU 80 -23.531 -11.049 -11.924 653 3HD2 LEU 80 HD21 LEU 80 -22.815 -11.287 -10.331 654 H SER 81 HN SER 81 -26.650 -14.217 -11.558 655 HA SER 81 HA SER 81 -28.494 -15.204 -13.312 656 1HB SER 81 HB2 SER 81 -29.054 -16.443 -10.817 657 2HB SER 81 HB1 SER 81 -28.036 -17.018 -12.126 658 HG SER 81 HG SER 81 -26.298 -16.508 -11.051 659 H ASP 82 HN ASP 82 -29.203 -13.645 -10.210 660 HA ASP 82 HA ASP 82 -31.585 -12.424 -11.108 661 1HB ASP 82 HB2 ASP 82 -32.272 -14.946 -10.836 662 2HB ASP 82 HB1 ASP 82 -32.245 -14.592 -9.115 663 H GLY 83 HN GLY 83 -29.611 -11.194 -10.011 664 1HA GLY 83 HA2 GLY 83 -30.569 -10.356 -7.390 665 2HA GLY 83 HA1 GLY 83 -28.938 -11.019 -7.439 666 H ASN 84 HN ASN 84 -27.576 -9.380 -7.256 667 HA ASN 84 HA ASN 84 -27.976 -6.688 -7.812 668 1HB ASN 84 HB2 ASN 84 -25.277 -8.055 -7.935 669 2HB ASN 84 HB1 ASN 84 -25.621 -6.379 -7.514 670 1HD2 ASN 84 HD22 ASN 84 -25.910 -7.116 -4.119 671 2HD2 ASN 84 HD21 ASN 84 -25.538 -5.983 -5.383 672 H GLU 85 HN GLU 85 -27.321 -5.291 -9.468 673 HA GLU 85 HA GLU 85 -26.405 -6.462 -12.000 674 1HB GLU 85 HB2 GLU 85 -28.430 -6.337 -13.005 675 2HB GLU 85 HB1 GLU 85 -29.130 -5.855 -11.466 676 1HG GLU 85 HG2 GLU 85 -28.695 -3.494 -12.020 677 2HG GLU 85 HG1 GLU 85 -27.987 -3.989 -13.559 678 H TYR 86 HN TYR 86 -25.085 -5.161 -13.136 679 HA TYR 86 HA TYR 86 -24.865 -2.302 -12.448 680 1HB TYR 86 HB2 TYR 86 -22.372 -3.973 -12.613 681 2HB TYR 86 HB1 TYR 86 -22.581 -2.377 -11.927 682 HD1 TYR 86 HD2 TYR 86 -23.583 -5.921 -11.386 683 HD2 TYR 86 HD1 TYR 86 -22.695 -2.141 -9.598 684 HE1 TYR 86 HE2 TYR 86 -23.822 -6.919 -9.154 685 HE2 TYR 86 HE1 TYR 86 -22.972 -3.140 -7.362 686 HH TYR 86 HH TYR 86 -23.142 -6.504 -6.831 687 H LEU 87 HN LEU 87 -23.233 -1.222 -13.863 688 HA LEU 87 HA LEU 87 -23.241 -2.301 -16.632 689 1HB LEU 87 HB2 LEU 87 -22.869 0.604 -15.850 690 2HB LEU 87 HB1 LEU 87 -23.107 -0.054 -17.461 691 HG LEU 87 HG LEU 87 -25.125 0.119 -15.242 692 1HD1 LEU 87 HD13 LEU 87 -24.560 2.123 -16.738 693 2HD1 LEU 87 HD12 LEU 87 -25.322 1.202 -18.038 694 3HD1 LEU 87 HD11 LEU 87 -26.263 1.655 -16.615 695 1HD2 LEU 87 HD21 LEU 87 -25.053 -1.548 -17.699 696 2HD2 LEU 87 HD23 LEU 87 -25.838 -1.858 -16.151 697 3HD2 LEU 87 HD22 LEU 87 -26.579 -0.750 -17.310 698 H PHE 88 HN PHE 88 -21.261 -2.813 -17.401 699 HA PHE 88 HA PHE 88 -18.903 -1.851 -15.898 700 1HB PHE 88 HB2 PHE 88 -19.467 -4.406 -17.348 701 2HB PHE 88 HB1 PHE 88 -17.811 -3.885 -17.055 702 HD1 PHE 88 HD1 PHE 88 -17.136 -3.385 -14.635 703 HD2 PHE 88 HD2 PHE 88 -20.678 -5.507 -15.684 704 HE1 PHE 88 HE1 PHE 88 -17.241 -4.336 -12.365 705 HE2 PHE 88 HE2 PHE 88 -20.793 -6.450 -13.416 706 HZ PHE 88 HZ PHE 88 -19.085 -5.798 -11.727 707 H GLN 89 HN GLN 89 -17.446 -0.634 -16.910 708 HA GLN 89 HA GLN 89 -17.655 -0.300 -19.851 709 1HB GLN 89 HB2 GLN 89 -18.375 1.752 -19.238 710 2HB GLN 89 HB1 GLN 89 -17.679 1.640 -17.638 711 1HG GLN 89 HG2 GLN 89 -15.445 2.162 -18.585 712 2HG GLN 89 HG1 GLN 89 -16.191 2.350 -20.176 713 1HE2 GLN 89 HE22 GLN 89 -17.975 5.342 -19.192 714 2HE2 GLN 89 HE21 GLN 89 -18.202 3.872 -20.075 715 H ALA 90 HN ALA 90 -15.872 -0.466 -21.013 716 HA ALA 90 HA ALA 90 -13.262 -0.796 -19.642 717 1HB ALA 90 HB1 ALA 90 -14.203 -2.858 -20.750 718 2HB ALA 90 HB3 ALA 90 -14.095 -2.004 -22.289 719 3HB ALA 90 HB2 ALA 90 -12.633 -2.349 -21.367 720 H LYS 91 HN LYS 91 -11.385 -0.106 -20.940 721 HA LYS 91 HA LYS 91 -11.951 2.447 -22.249 722 1HB LYS 91 HB2 LYS 91 -9.382 2.603 -22.225 723 2HB LYS 91 HB1 LYS 91 -10.247 2.707 -20.699 724 1HG LYS 91 HG2 LYS 91 -9.451 -0.028 -21.494 725 2HG LYS 91 HG1 LYS 91 -8.118 1.071 -21.165 726 1HD LYS 91 HD2 LYS 91 -9.355 1.647 -18.986 727 2HD LYS 91 HD1 LYS 91 -10.349 0.229 -19.304 728 1HE LYS 91 HE2 LYS 91 -7.532 0.409 -18.421 729 2HE LYS 91 HE1 LYS 91 -8.764 -0.790 -18.051 730 1HZ LYS 91 HZ2 LYS 91 -7.688 -0.712 -20.773 731 2HZ LYS 91 HZ1 LYS 91 -6.716 -1.376 -19.542 732 3HZ LYS 91 HZ3 LYS 91 -8.251 -2.033 -19.855 733 H ASP 92 HN ASP 92 -10.760 -0.747 -23.131 734 HA ASP 92 HA ASP 92 -10.316 0.213 -25.912 735 1HB ASP 92 HB2 ASP 92 -8.381 -0.851 -24.619 736 2HB ASP 92 HB1 ASP 92 -9.263 -2.369 -24.750 737 H ASP 93 HN ASP 93 -11.148 -0.923 -27.623 738 HA ASP 93 HA ASP 93 -13.730 -2.036 -27.436 739 1HB ASP 93 HB2 ASP 93 -12.740 -0.958 -29.460 740 2HB ASP 93 HB1 ASP 93 -11.700 -2.359 -29.669 741 H GLU 94 HN GLU 94 -10.553 -3.574 -27.794 742 HA GLU 94 HA GLU 94 -11.498 -6.255 -28.011 743 1HB GLU 94 HB2 GLU 94 -8.800 -5.205 -27.137 744 2HB GLU 94 HB1 GLU 94 -9.161 -6.883 -27.535 745 1HG GLU 94 HG2 GLU 94 -9.941 -6.025 -29.812 746 2HG GLU 94 HG1 GLU 94 -9.203 -4.483 -29.377 747 H GLU 95 HN GLU 95 -10.428 -4.271 -25.278 748 HA GLU 95 HA GLU 95 -10.426 -6.266 -23.282 749 1HB GLU 95 HB2 GLU 95 -9.570 -3.826 -23.178 750 2HB GLU 95 HB1 GLU 95 -11.225 -3.415 -22.734 751 1HG GLU 95 HG2 GLU 95 -11.099 -4.955 -20.826 752 2HG GLU 95 HG1 GLU 95 -9.457 -5.401 -21.279 753 H MET 96 HN MET 96 -12.999 -4.025 -24.318 754 HA MET 96 HA MET 96 -15.024 -4.855 -22.539 755 1HB MET 96 HB2 MET 96 -14.978 -2.829 -24.114 756 2HB MET 96 HB1 MET 96 -15.524 -3.933 -25.369 757 1HG MET 96 HG2 MET 96 -17.377 -4.563 -23.627 758 2HG MET 96 HG1 MET 96 -16.945 -3.027 -22.888 759 1HE MET 96 HE2 MET 96 -17.555 -4.710 -26.250 760 2HE MET 96 HE1 MET 96 -19.239 -4.621 -25.744 761 3HE MET 96 HE3 MET 96 -18.668 -3.638 -27.101 762 H ASN 97 HN ASN 97 -14.176 -5.997 -25.787 763 HA ASN 97 HA ASN 97 -16.243 -7.900 -26.126 764 1HB ASN 97 HB2 ASN 97 -14.681 -6.927 -27.878 765 2HB ASN 97 HB1 ASN 97 -13.453 -8.043 -27.296 766 1HD2 ASN 97 HD22 ASN 97 -14.928 -9.754 -30.130 767 2HD2 ASN 97 HD21 ASN 97 -13.910 -8.395 -29.790 768 H THR 98 HN THR 98 -12.909 -8.233 -24.900 769 HA THR 98 HA THR 98 -12.962 -11.024 -24.433 770 HB THR 98 HB THR 98 -11.310 -9.007 -22.907 771 HG1 THR 98 HG1 THR 98 -11.010 -8.521 -25.058 772 1HG2 THR 98 HG23 THR 98 -11.313 -11.523 -22.322 773 2HG2 THR 98 HG22 THR 98 -10.455 -11.730 -23.849 774 3HG2 THR 98 HG21 THR 98 -9.760 -10.725 -22.578 775 H TRP 99 HN TRP 99 -13.896 -8.277 -22.365 776 HA TRP 99 HA TRP 99 -14.225 -9.727 -19.943 777 1HB TRP 99 HB2 TRP 99 -15.235 -7.104 -20.994 778 2HB TRP 99 HB1 TRP 99 -15.955 -7.763 -19.532 779 HD1 TRP 99 HD1 TRP 99 -13.310 -5.456 -20.494 780 HE1 TRP 99 HE1 TRP 99 -11.588 -5.181 -18.632 781 HE3 TRP 99 HE3 TRP 99 -14.526 -9.464 -17.524 782 HZ2 TRP 99 HZ2 TRP 99 -10.814 -6.424 -16.259 783 HZ3 TRP 99 HZ3 TRP 99 -13.235 -9.849 -15.462 784 HH2 TRP 99 HH2 TRP 99 -11.396 -8.348 -14.835 785 H ILE 100 HN ILE 100 -16.598 -8.740 -22.409 786 HA ILE 100 HA ILE 100 -18.875 -9.944 -21.306 787 HB ILE 100 HB ILE 100 -18.131 -9.311 -24.163 788 1HG1 ILE 100 HG12 ILE 100 -20.073 -7.906 -22.326 789 2HG1 ILE 100 HG11 ILE 100 -18.380 -7.449 -22.474 790 1HG2 ILE 100 HG21 ILE 100 -20.675 -10.444 -23.042 791 2HG2 ILE 100 HG23 ILE 100 -20.706 -9.398 -24.462 792 3HG2 ILE 100 HG22 ILE 100 -19.797 -10.910 -24.499 793 1HD1 ILE 100 HD11 ILE 100 -20.302 -7.588 -24.801 794 2HD1 ILE 100 HD13 ILE 100 -19.926 -6.108 -23.917 795 3HD1 ILE 100 HD12 ILE 100 -18.660 -6.948 -24.817 796 H GLN 101 HN GLN 101 -16.521 -11.251 -23.637 797 HA GLN 101 HA GLN 101 -17.787 -13.775 -23.994 798 1HB GLN 101 HB2 GLN 101 -14.918 -12.921 -24.428 799 2HB GLN 101 HB1 GLN 101 -15.602 -14.451 -24.973 800 1HG GLN 101 HG2 GLN 101 -17.126 -12.042 -25.778 801 2HG GLN 101 HG1 GLN 101 -15.515 -12.170 -26.474 802 1HE2 GLN 101 HE22 GLN 101 -16.604 -14.398 -28.893 803 2HE2 GLN 101 HE21 GLN 101 -15.529 -13.131 -28.381 804 H ALA 102 HN ALA 102 -15.202 -12.670 -21.813 805 HA ALA 102 HA ALA 102 -14.496 -15.183 -20.722 806 1HB ALA 102 HB3 ALA 102 -14.340 -12.400 -19.527 807 2HB ALA 102 HB2 ALA 102 -13.593 -13.833 -18.813 808 3HB ALA 102 HB1 ALA 102 -13.066 -13.256 -20.396 809 H ILE 103 HN ILE 103 -16.830 -12.729 -19.640 810 HA ILE 103 HA ILE 103 -17.734 -14.077 -17.316 811 HB ILE 103 HB ILE 103 -19.076 -12.036 -19.098 812 1HG1 ILE 103 HG12 ILE 103 -18.018 -11.487 -16.357 813 2HG1 ILE 103 HG11 ILE 103 -16.882 -11.600 -17.691 814 1HG2 ILE 103 HG22 ILE 103 -20.174 -13.541 -16.869 815 2HG2 ILE 103 HG21 ILE 103 -20.162 -11.811 -16.547 816 3HG2 ILE 103 HG23 ILE 103 -20.972 -12.433 -17.984 817 1HD1 ILE 103 HD13 ILE 103 -18.832 -9.951 -18.725 818 2HD1 ILE 103 HD12 ILE 103 -18.785 -9.475 -17.027 819 3HD1 ILE 103 HD11 ILE 103 -17.317 -9.415 -17.998 820 H SER 104 HN SER 104 -18.888 -14.123 -20.687 821 HA SER 104 HA SER 104 -21.147 -15.795 -20.224 822 1HB SER 104 HB2 SER 104 -19.585 -15.355 -22.778 823 2HB SER 104 HB1 SER 104 -21.216 -16.006 -22.647 824 HG SER 104 HG SER 104 -20.309 -13.364 -22.198 825 H SER 105 HN SER 105 -17.808 -16.516 -20.247 826 HA SER 105 HA SER 105 -18.287 -19.384 -20.848 827 1HB SER 105 HB2 SER 105 -15.617 -17.979 -20.696 828 2HB SER 105 HB1 SER 105 -15.973 -19.562 -21.388 829 HG SER 105 HG SER 105 -16.740 -16.999 -22.380 830 H ALA 106 HN ALA 106 -18.670 -17.745 -18.235 831 HA ALA 106 HA ALA 106 -16.742 -18.949 -16.412 832 1HB ALA 106 HB3 ALA 106 -17.708 -16.631 -16.126 833 2HB ALA 106 HB2 ALA 106 -19.243 -17.397 -15.711 834 3HB ALA 106 HB1 ALA 106 -17.816 -17.666 -14.701 No H/Q in entry = 834 Start of MODEL 21 1 1H MET 1 HT3 MET 1 -9.430 -11.067 -17.739 2 2H MET 1 HT2 MET 1 -8.574 -12.520 -18.012 3 3H MET 1 HT1 MET 1 -10.142 -12.308 -18.651 4 HA MET 1 HA MET 1 -11.165 -12.813 -16.764 5 1HB MET 1 HB2 MET 1 -8.417 -13.991 -16.343 6 2HB MET 1 HB1 MET 1 -9.775 -14.348 -15.282 7 1HG MET 1 HG2 MET 1 -9.796 -14.802 -18.271 8 2HG MET 1 HG1 MET 1 -9.439 -16.043 -17.079 9 1HE MET 1 HE1 MET 1 -11.138 -17.768 -16.934 10 2HE MET 1 HE3 MET 1 -11.288 -17.025 -15.334 11 3HE MET 1 HE2 MET 1 -12.732 -17.470 -16.244 12 H GLU 2 HN GLU 2 -8.023 -11.340 -15.991 13 HA GLU 2 HA GLU 2 -9.267 -10.035 -13.637 14 1HB GLU 2 HB2 GLU 2 -7.791 -11.394 -12.545 15 2HB GLU 2 HB1 GLU 2 -6.715 -11.526 -13.913 16 1HG GLU 2 HG2 GLU 2 -6.787 -8.856 -12.681 17 2HG GLU 2 HG1 GLU 2 -6.166 -10.136 -11.654 18 H GLY 3 HN GLY 3 -8.901 -7.868 -13.405 19 1HA GLY 3 HA2 GLY 3 -6.986 -6.189 -14.284 20 2HA GLY 3 HA1 GLY 3 -7.955 -6.413 -15.743 21 H PHE 4 HN PHE 4 -7.842 -3.930 -14.930 22 HA PHE 4 HA PHE 4 -9.820 -3.163 -12.992 23 1HB PHE 4 HB2 PHE 4 -8.114 -1.749 -14.993 24 2HB PHE 4 HB1 PHE 4 -9.497 -0.898 -14.324 25 HD1 PHE 4 HD1 PHE 4 -9.670 -1.378 -11.602 26 HD2 PHE 4 HD2 PHE 4 -6.126 -1.221 -13.981 27 HE1 PHE 4 HE1 PHE 4 -8.362 -0.774 -9.608 28 HE2 PHE 4 HE2 PHE 4 -4.821 -0.601 -11.987 29 HZ PHE 4 HZ PHE 4 -5.934 -0.375 -9.801 30 H LEU 5 HN LEU 5 -11.781 -2.186 -13.338 31 HA LEU 5 HA LEU 5 -13.002 -2.122 -15.980 32 1HB LEU 5 HB2 LEU 5 -13.590 -4.200 -13.971 33 2HB LEU 5 HB1 LEU 5 -15.016 -3.311 -14.493 34 HG LEU 5 HG LEU 5 -13.078 -4.722 -16.317 35 1HD1 LEU 5 HD11 LEU 5 -15.753 -5.474 -15.184 36 2HD1 LEU 5 HD13 LEU 5 -15.215 -6.130 -16.731 37 3HD1 LEU 5 HD12 LEU 5 -14.272 -6.433 -15.269 38 1HD2 LEU 5 HD23 LEU 5 -15.361 -2.894 -16.806 39 2HD2 LEU 5 HD22 LEU 5 -13.894 -3.155 -17.754 40 3HD2 LEU 5 HD21 LEU 5 -15.225 -4.309 -17.852 41 H ASN 6 HN ASN 6 -14.714 -0.673 -16.048 42 HA ASN 6 HA ASN 6 -14.997 1.095 -13.717 43 1HB ASN 6 HB2 ASN 6 -14.899 1.586 -16.482 44 2HB ASN 6 HB1 ASN 6 -16.588 1.812 -16.061 45 1HD2 ASN 6 HD22 ASN 6 -15.590 5.127 -15.351 46 2HD2 ASN 6 HD21 ASN 6 -16.348 4.071 -16.505 47 H ARG 7 HN ARG 7 -16.524 0.557 -12.292 48 HA ARG 7 HA ARG 7 -18.861 -0.996 -13.239 49 1HB ARG 7 HB2 ARG 7 -17.275 -2.045 -11.572 50 2HB ARG 7 HB1 ARG 7 -17.806 -0.835 -10.411 51 1HG ARG 7 HG2 ARG 7 -20.063 -1.644 -10.474 52 2HG ARG 7 HG1 ARG 7 -19.713 -2.685 -11.853 53 1HD ARG 7 HD2 ARG 7 -19.724 -4.169 -10.034 54 2HD ARG 7 HD1 ARG 7 -18.009 -3.845 -10.292 55 HE ARG 7 HE ARG 7 -17.994 -2.467 -8.343 56 1HH1 ARG 7 HH21 ARG 7 -19.997 -1.095 -7.386 57 2HH1 ARG 7 HH22 ARG 7 -21.047 -2.113 -6.435 58 1HH2 ARG 7 HH11 ARG 7 -19.790 -5.097 -7.794 59 2HH2 ARG 7 HH12 ARG 7 -20.940 -4.410 -6.681 60 H LYS 8 HN LYS 8 -20.851 -0.330 -12.875 61 HA LYS 8 HA LYS 8 -21.414 1.892 -11.057 62 1HB LYS 8 HB2 LYS 8 -21.063 2.941 -13.230 63 2HB LYS 8 HB1 LYS 8 -22.209 1.849 -13.975 64 1HG LYS 8 HG2 LYS 8 -23.468 3.139 -11.733 65 2HG LYS 8 HG1 LYS 8 -22.690 4.366 -12.724 66 1HD LYS 8 HD2 LYS 8 -24.468 4.297 -14.083 67 2HD LYS 8 HD1 LYS 8 -23.948 2.696 -14.581 68 1HE LYS 8 HE2 LYS 8 -26.255 2.573 -13.911 69 2HE LYS 8 HE1 LYS 8 -25.287 1.725 -12.711 70 1HZ LYS 8 HZ2 LYS 8 -25.766 4.540 -12.201 71 2HZ LYS 8 HZ1 LYS 8 -27.132 3.522 -12.103 72 3HZ LYS 8 HZ3 LYS 8 -25.773 3.219 -11.124 73 H HIS 9 HN HIS 9 -22.781 0.951 -9.720 74 HA HIS 9 HA HIS 9 -24.581 -1.143 -10.624 75 1HB HIS 9 HB2 HIS 9 -25.207 -1.304 -8.215 76 2HB HIS 9 HB1 HIS 9 -23.504 -1.570 -8.536 77 HD1 HIS 9 HD1 HIS 9 -24.106 -0.968 -5.763 78 HD2 HIS 9 HD2 HIS 9 -23.466 2.088 -8.479 79 HE1 HIS 9 HE1 HIS 9 -23.460 1.014 -4.371 80 H GLU 10 HN GLU 10 -26.699 -0.980 -10.933 81 HA GLU 10 HA GLU 10 -27.974 1.684 -10.724 82 1HB GLU 10 HB2 GLU 10 -27.890 0.567 -12.964 83 2HB GLU 10 HB1 GLU 10 -28.833 -0.762 -12.301 84 1HG GLU 10 HG2 GLU 10 -30.493 0.514 -13.280 85 2HG GLU 10 HG1 GLU 10 -30.525 1.141 -11.636 86 H TRP 11 HN TRP 11 -28.329 -1.728 -9.921 87 HA TRP 11 HA TRP 11 -30.017 -1.098 -7.643 88 1HB TRP 11 HB2 TRP 11 -31.683 -1.299 -9.397 89 2HB TRP 11 HB1 TRP 11 -30.978 -2.810 -9.945 90 HD1 TRP 11 HD1 TRP 11 -32.878 -1.423 -6.831 91 HE1 TRP 11 HE1 TRP 11 -34.164 -3.379 -5.810 92 HE3 TRP 11 HE3 TRP 11 -31.209 -5.235 -9.809 93 HZ2 TRP 11 HZ2 TRP 11 -34.440 -6.154 -6.161 94 HZ3 TRP 11 HZ3 TRP 11 -32.017 -7.521 -9.407 95 HH2 TRP 11 HH2 TRP 11 -33.619 -7.978 -7.599 96 H GLU 12 HN GLU 12 -29.827 -2.590 -6.066 97 HA GLU 12 HA GLU 12 -28.888 -5.256 -6.352 98 1HB GLU 12 HB2 GLU 12 -26.733 -4.875 -5.042 99 2HB GLU 12 HB1 GLU 12 -26.708 -4.416 -6.738 100 1HG GLU 12 HG2 GLU 12 -26.639 -2.142 -6.272 101 2HG GLU 12 HG1 GLU 12 -27.410 -2.328 -4.701 102 H ALA 13 HN ALA 13 -29.407 -2.418 -4.389 103 HA ALA 13 HA ALA 13 -29.884 -4.004 -1.956 104 1HB ALA 13 HB2 ALA 13 -28.434 -1.990 -1.809 105 2HB ALA 13 HB1 ALA 13 -29.795 -0.996 -2.327 106 3HB ALA 13 HB3 ALA 13 -29.872 -1.863 -0.793 107 H HIS 14 HN HIS 14 -31.848 -4.101 -0.974 108 HA HIS 14 HA HIS 14 -34.203 -3.608 -2.586 109 1HB HIS 14 HB2 HIS 14 -33.658 -4.854 0.098 110 2HB HIS 14 HB1 HIS 14 -35.303 -4.435 -0.350 111 HD1 HIS 14 HD1 HIS 14 -35.993 -6.928 -0.443 112 HD2 HIS 14 HD2 HIS 14 -32.997 -5.943 -3.129 113 HE1 HIS 14 HE1 HIS 14 -35.863 -8.871 -2.020 114 H ASN 15 HN ASN 15 -34.185 -1.359 -2.809 115 HA ASN 15 HA ASN 15 -35.488 0.104 -0.669 116 1HB ASN 15 HB2 ASN 15 -33.005 0.314 -0.196 117 2HB ASN 15 HB1 ASN 15 -32.838 1.140 -1.742 118 1HD2 ASN 15 HD22 ASN 15 -34.045 3.165 1.501 119 2HD2 ASN 15 HD21 ASN 15 -33.447 1.527 1.532 120 H LYS 16 HN LYS 16 -33.584 0.985 -3.550 121 HA LYS 16 HA LYS 16 -35.909 1.498 -5.174 122 1HB LYS 16 HB2 LYS 16 -34.584 3.706 -3.699 123 2HB LYS 16 HB1 LYS 16 -34.823 3.997 -5.418 124 1HG LYS 16 HG2 LYS 16 -37.252 3.258 -5.030 125 2HG LYS 16 HG1 LYS 16 -36.904 3.455 -3.315 126 1HD LYS 16 HD2 LYS 16 -37.801 5.538 -3.931 127 2HD LYS 16 HD1 LYS 16 -36.061 5.810 -3.939 128 1HE LYS 16 HE2 LYS 16 -37.060 6.818 -5.907 129 2HE LYS 16 HE1 LYS 16 -36.027 5.479 -6.389 130 1HZ LYS 16 HZ3 LYS 16 -38.750 4.696 -5.911 131 2HZ LYS 16 HZ2 LYS 16 -38.604 5.858 -7.152 132 3HZ LYS 16 HZ1 LYS 16 -37.747 4.378 -7.250 133 H LYS 17 HN LYS 17 -32.716 3.057 -5.104 134 HA LYS 17 HA LYS 17 -31.800 1.453 -7.414 135 1HB LYS 17 HB2 LYS 17 -31.695 4.483 -7.216 136 2HB LYS 17 HB1 LYS 17 -30.944 3.518 -8.481 137 1HG LYS 17 HG2 LYS 17 -33.887 3.232 -8.024 138 2HG LYS 17 HG1 LYS 17 -33.294 4.662 -8.850 139 1HD LYS 17 HD2 LYS 17 -32.238 2.044 -9.792 140 2HD LYS 17 HD1 LYS 17 -33.934 2.378 -10.127 141 1HE LYS 17 HE2 LYS 17 -33.147 4.622 -11.075 142 2HE LYS 17 HE1 LYS 17 -31.515 3.963 -10.996 143 1HZ LYS 17 HZ3 LYS 17 -33.122 2.059 -12.245 144 2HZ LYS 17 HZ2 LYS 17 -33.482 3.560 -12.966 145 3HZ LYS 17 HZ1 LYS 17 -31.877 2.993 -12.933 146 H ALA 18 HN ALA 18 -29.438 2.698 -7.810 147 HA ALA 18 HA ALA 18 -28.007 2.786 -5.229 148 1HB ALA 18 HB3 ALA 18 -27.181 1.103 -7.612 149 2HB ALA 18 HB2 ALA 18 -26.229 1.350 -6.148 150 3HB ALA 18 HB1 ALA 18 -27.767 0.492 -6.066 151 H SER 19 HN SER 19 -28.847 4.887 -6.905 152 HA SER 19 HA SER 19 -28.076 6.911 -7.573 153 1HB SER 19 HB2 SER 19 -25.259 5.821 -7.436 154 2HB SER 19 HB1 SER 19 -25.746 7.504 -7.528 155 HG SER 19 HG SER 19 -25.249 6.916 -5.378 156 H SER 20 HN SER 20 -27.287 7.916 -9.539 157 HA SER 20 HA SER 20 -27.596 6.100 -11.788 158 1HB SER 20 HB2 SER 20 -27.477 9.079 -11.848 159 2HB SER 20 HB1 SER 20 -28.113 8.017 -13.089 160 HG SER 20 HG SER 20 -29.164 8.425 -10.457 161 H ARG 21 HN ARG 21 -25.404 8.803 -10.954 162 HA ARG 21 HA ARG 21 -23.463 7.881 -12.959 163 1HB ARG 21 HB2 ARG 21 -22.289 9.975 -12.505 164 2HB ARG 21 HB1 ARG 21 -23.988 10.273 -12.844 165 1HG ARG 21 HG2 ARG 21 -24.158 11.394 -10.911 166 2HG ARG 21 HG1 ARG 21 -23.783 9.915 -10.036 167 1HD ARG 21 HD2 ARG 21 -22.250 11.700 -9.383 168 2HD ARG 21 HD1 ARG 21 -21.373 10.418 -10.210 169 HE ARG 21 HE ARG 21 -22.232 12.870 -11.652 170 1HH1 ARG 21 HH21 ARG 21 -19.541 11.669 -9.945 171 2HH1 ARG 21 HH22 ARG 21 -18.396 11.853 -11.249 172 1HH2 ARG 21 HH11 ARG 21 -20.849 12.726 -13.629 173 2HH2 ARG 21 HH12 ARG 21 -19.141 12.473 -13.347 174 H SER 22 HN SER 22 -23.863 6.211 -10.591 175 HA SER 22 HA SER 22 -21.608 6.587 -8.826 176 1HB SER 22 HB2 SER 22 -22.335 4.089 -8.301 177 2HB SER 22 HB1 SER 22 -23.220 5.471 -7.683 178 HG SER 22 HG SER 22 -24.706 4.058 -8.627 179 H TRP 23 HN TRP 23 -20.398 6.720 -11.053 180 HA TRP 23 HA TRP 23 -19.447 4.154 -12.065 181 1HB TRP 23 HB2 TRP 23 -19.076 7.029 -12.862 182 2HB TRP 23 HB1 TRP 23 -17.944 5.814 -13.446 183 HD1 TRP 23 HD1 TRP 23 -21.314 7.259 -14.232 184 HE1 TRP 23 HE1 TRP 23 -22.448 5.857 -16.044 185 HE3 TRP 23 HE3 TRP 23 -18.176 3.230 -14.299 186 HZ2 TRP 23 HZ2 TRP 23 -22.080 3.368 -17.360 187 HZ3 TRP 23 HZ3 TRP 23 -18.602 1.387 -15.854 188 HH2 TRP 23 HH2 TRP 23 -20.534 1.447 -17.377 189 H HIS 24 HN HIS 24 -18.142 3.138 -10.680 190 HA HIS 24 HA HIS 24 -15.772 4.586 -9.626 191 1HB HIS 24 HB2 HIS 24 -15.810 2.830 -7.772 192 2HB HIS 24 HB1 HIS 24 -17.037 4.089 -7.694 193 HD1 HIS 24 HD1 HIS 24 -19.491 3.309 -8.502 194 HD2 HIS 24 HD2 HIS 24 -16.790 0.260 -7.781 195 HE1 HIS 24 HE1 HIS 24 -20.893 1.257 -8.265 196 H ASN 25 HN ASN 25 -13.833 3.730 -10.078 197 HA ASN 25 HA ASN 25 -13.659 1.474 -11.889 198 1HB ASN 25 HB2 ASN 25 -11.309 2.006 -12.049 199 2HB ASN 25 HB1 ASN 25 -12.229 3.500 -12.146 200 1HD2 ASN 25 HD22 ASN 25 -9.314 3.283 -9.493 201 2HD2 ASN 25 HD21 ASN 25 -9.487 2.312 -10.927 202 H VAL 26 HN VAL 26 -13.137 -0.589 -11.358 203 HA VAL 26 HA VAL 26 -11.985 -1.163 -8.715 204 HB VAL 26 HB VAL 26 -14.605 -1.214 -8.837 205 1HG1 VAL 26 HG12 VAL 26 -14.543 -2.741 -10.878 206 2HG1 VAL 26 HG11 VAL 26 -14.093 -4.028 -9.756 207 3HG1 VAL 26 HG13 VAL 26 -15.637 -3.191 -9.570 208 1HG2 VAL 26 HG23 VAL 26 -13.070 -1.971 -6.975 209 2HG2 VAL 26 HG22 VAL 26 -14.672 -2.710 -7.036 210 3HG2 VAL 26 HG21 VAL 26 -13.264 -3.606 -7.616 211 H TYR 27 HN TYR 27 -11.071 -3.253 -8.550 212 HA TYR 27 HA TYR 27 -10.078 -4.306 -11.119 213 1HB TYR 27 HB2 TYR 27 -8.664 -3.591 -9.028 214 2HB TYR 27 HB1 TYR 27 -9.106 -5.168 -8.416 215 HD1 TYR 27 HD2 TYR 27 -8.311 -7.219 -9.530 216 HD2 TYR 27 HD1 TYR 27 -7.097 -3.340 -10.827 217 HE1 TYR 27 HE2 TYR 27 -6.433 -8.226 -10.775 218 HE2 TYR 27 HE1 TYR 27 -5.217 -4.333 -12.054 219 HH TYR 27 HH TYR 27 -4.958 -7.517 -12.827 220 H CYS 28 HN CYS 28 -11.515 -5.739 -11.900 221 HA CYS 28 HA CYS 28 -12.872 -7.634 -10.119 222 1HB CYS 28 HB2 CYS 28 -13.168 -7.353 -13.111 223 2HB CYS 28 HB1 CYS 28 -14.261 -8.156 -11.987 224 HG CYS 28 HG CYS 28 -13.893 -5.118 -11.590 225 H VAL 29 HN VAL 29 -12.445 -9.746 -10.013 226 HA VAL 29 HA VAL 29 -10.516 -10.963 -11.899 227 HB VAL 29 HB VAL 29 -10.530 -11.374 -8.898 228 1HG1 VAL 29 HG13 VAL 29 -9.264 -12.790 -11.124 229 2HG1 VAL 29 HG12 VAL 29 -8.118 -12.266 -9.893 230 3HG1 VAL 29 HG11 VAL 29 -9.485 -13.284 -9.441 231 1HG2 VAL 29 HG23 VAL 29 -8.720 -9.724 -10.655 232 2HG2 VAL 29 HG22 VAL 29 -9.657 -9.197 -9.259 233 3HG2 VAL 29 HG21 VAL 29 -8.265 -10.253 -9.036 234 H ILE 30 HN ILE 30 -11.607 -12.528 -12.919 235 HA ILE 30 HA ILE 30 -13.968 -13.750 -11.754 236 HB ILE 30 HB ILE 30 -12.583 -14.206 -14.407 237 1HG1 ILE 30 HG12 ILE 30 -15.153 -12.732 -13.793 238 2HG1 ILE 30 HG11 ILE 30 -13.593 -11.947 -14.015 239 1HG2 ILE 30 HG22 ILE 30 -15.170 -15.306 -13.301 240 2HG2 ILE 30 HG21 ILE 30 -14.821 -15.241 -15.028 241 3HG2 ILE 30 HG23 ILE 30 -13.797 -16.201 -13.961 242 1HD1 ILE 30 HD13 ILE 30 -14.715 -13.783 -16.117 243 2HD1 ILE 30 HD12 ILE 30 -15.172 -12.077 -16.043 244 3HD1 ILE 30 HD11 ILE 30 -13.485 -12.527 -16.284 245 H ASN 31 HN ASN 31 -14.065 -15.627 -10.743 246 HA ASN 31 HA ASN 31 -11.869 -17.597 -10.971 247 1HB ASN 31 HB2 ASN 31 -11.556 -16.235 -8.915 248 2HB ASN 31 HB1 ASN 31 -13.172 -16.692 -8.382 249 1HD2 ASN 31 HD22 ASN 31 -11.857 -19.429 -6.693 250 2HD2 ASN 31 HD21 ASN 31 -12.914 -18.044 -6.733 251 H ASN 32 HN ASN 32 -12.928 -19.142 -12.045 252 HA ASN 32 HA ASN 32 -14.555 -20.594 -12.759 253 1HB ASN 32 HB2 ASN 32 -13.356 -21.703 -10.844 254 2HB ASN 32 HB1 ASN 32 -14.714 -21.257 -9.813 255 1HD2 ASN 32 HD22 ASN 32 -15.682 -24.581 -10.793 256 2HD2 ASN 32 HD21 ASN 32 -14.693 -23.717 -9.651 257 H GLN 33 HN GLN 33 -16.069 -18.922 -13.371 258 HA GLN 33 HA GLN 33 -18.127 -18.028 -13.572 259 1HB GLN 33 HB2 GLN 33 -19.803 -19.519 -13.549 260 2HB GLN 33 HB1 GLN 33 -18.502 -20.651 -13.234 261 1HG GLN 33 HG2 GLN 33 -19.111 -20.044 -10.689 262 2HG GLN 33 HG1 GLN 33 -20.667 -19.675 -11.421 263 1HE2 GLN 33 HE22 GLN 33 -20.794 -23.159 -12.765 264 2HE2 GLN 33 HE21 GLN 33 -20.727 -21.567 -13.449 265 H GLU 34 HN GLU 34 -16.501 -17.418 -11.024 266 HA GLU 34 HA GLU 34 -18.619 -15.807 -9.745 267 1HB GLU 34 HB2 GLU 34 -16.467 -17.342 -8.255 268 2HB GLU 34 HB1 GLU 34 -17.580 -16.187 -7.530 269 1HG GLU 34 HG2 GLU 34 -19.412 -17.756 -8.629 270 2HG GLU 34 HG1 GLU 34 -18.115 -18.949 -8.572 271 H MET 35 HN MET 35 -17.486 -13.955 -8.453 272 HA MET 35 HA MET 35 -14.859 -13.284 -9.560 273 1HB MET 35 HB2 MET 35 -15.602 -11.101 -10.390 274 2HB MET 35 HB1 MET 35 -16.402 -12.415 -11.241 275 1HG MET 35 HG2 MET 35 -18.367 -12.108 -9.717 276 2HG MET 35 HG1 MET 35 -17.559 -10.698 -9.046 277 1HE MET 35 HE1 MET 35 -19.781 -9.391 -9.567 278 2HE MET 35 HE3 MET 35 -20.427 -9.113 -11.189 279 3HE MET 35 HE2 MET 35 -20.556 -10.706 -10.445 280 H GLY 36 HN GLY 36 -13.733 -11.758 -8.455 281 1HA GLY 36 HA2 GLY 36 -14.816 -10.902 -5.831 282 2HA GLY 36 HA1 GLY 36 -13.142 -11.393 -6.088 283 H PHE 37 HN PHE 37 -14.824 -8.756 -5.497 284 HA PHE 37 HA PHE 37 -13.638 -6.976 -7.514 285 1HB PHE 37 HB2 PHE 37 -15.625 -6.503 -5.283 286 2HB PHE 37 HB1 PHE 37 -14.983 -5.224 -6.305 287 HD1 PHE 37 HD1 PHE 37 -15.052 -6.088 -8.969 288 HD2 PHE 37 HD2 PHE 37 -17.801 -7.063 -5.843 289 HE1 PHE 37 HE1 PHE 37 -16.799 -6.549 -10.644 290 HE2 PHE 37 HE2 PHE 37 -19.545 -7.516 -7.525 291 HZ PHE 37 HZ PHE 37 -19.062 -7.227 -9.911 292 H TYR 38 HN TYR 38 -11.597 -6.454 -7.130 293 HA TYR 38 HA TYR 38 -10.685 -5.882 -4.371 294 1HB TYR 38 HB2 TYR 38 -9.150 -6.614 -6.872 295 2HB TYR 38 HB1 TYR 38 -8.397 -6.144 -5.353 296 HD1 TYR 38 HD1 TYR 38 -8.440 -7.618 -3.431 297 HD2 TYR 38 HD2 TYR 38 -10.256 -8.761 -7.115 298 HE1 TYR 38 HE1 TYR 38 -8.548 -9.950 -2.649 299 HE2 TYR 38 HE2 TYR 38 -10.366 -11.096 -6.338 300 HH TYR 38 HH TYR 38 -8.765 -12.156 -3.450 301 H LYS 39 HN LYS 39 -9.074 -4.074 -4.192 302 HA LYS 39 HA LYS 39 -10.155 -1.698 -5.413 303 1HB LYS 39 HB2 LYS 39 -9.115 -1.986 -3.052 304 2HB LYS 39 HB1 LYS 39 -7.573 -1.759 -3.871 305 1HG LYS 39 HG2 LYS 39 -8.060 0.436 -4.470 306 2HG LYS 39 HG1 LYS 39 -9.797 0.188 -4.365 307 1HD LYS 39 HD2 LYS 39 -9.801 0.993 -2.278 308 2HD LYS 39 HD1 LYS 39 -8.691 -0.275 -1.773 309 1HE LYS 39 HE2 LYS 39 -7.815 2.323 -3.046 310 2HE LYS 39 HE1 LYS 39 -7.875 2.044 -1.311 311 1HZ LYS 39 HZ2 LYS 39 -6.400 0.024 -1.863 312 2HZ LYS 39 HZ1 LYS 39 -6.078 0.860 -3.314 313 3HZ LYS 39 HZ3 LYS 39 -5.705 1.575 -1.816 314 H ASP 40 HN ASP 40 -7.237 -3.612 -5.910 315 HA ASP 40 HA ASP 40 -6.848 -2.591 -8.553 316 1HB ASP 40 HB2 ASP 40 -4.805 -1.398 -8.305 317 2HB ASP 40 HB1 ASP 40 -5.910 -0.718 -7.119 318 H ALA 41 HN ALA 41 -4.225 -3.184 -9.009 319 HA ALA 41 HA ALA 41 -4.199 -6.028 -9.134 320 1HB ALA 41 HB2 ALA 41 -3.089 -4.627 -10.811 321 2HB ALA 41 HB1 ALA 41 -1.952 -4.048 -9.589 322 3HB ALA 41 HB3 ALA 41 -1.943 -5.749 -10.073 323 H LYS 42 HN LYS 42 -2.591 -3.690 -6.991 324 HA LYS 42 HA LYS 42 -0.909 -5.557 -5.649 325 1HB LYS 42 HB2 LYS 42 -2.043 -2.937 -4.632 326 2HB LYS 42 HB1 LYS 42 -0.697 -3.822 -3.916 327 1HG LYS 42 HG2 LYS 42 0.497 -3.604 -6.131 328 2HG LYS 42 HG1 LYS 42 -0.775 -2.502 -6.634 329 1HD LYS 42 HD2 LYS 42 1.061 -2.124 -4.250 330 2HD LYS 42 HD1 LYS 42 1.185 -1.271 -5.785 331 1HE LYS 42 HE2 LYS 42 -1.061 -1.072 -3.771 332 2HE LYS 42 HE1 LYS 42 0.102 0.175 -4.199 333 1HZ LYS 42 HZ2 LYS 42 -0.820 0.161 -6.459 334 2HZ LYS 42 HZ1 LYS 42 -2.009 -0.950 -5.954 335 3HZ LYS 42 HZ3 LYS 42 -1.965 0.614 -5.273 336 H SER 43 HN SER 43 -4.186 -4.384 -5.059 337 HA SER 43 HA SER 43 -4.615 -5.733 -2.585 338 1HB SER 43 HB2 SER 43 -6.642 -4.778 -4.608 339 2HB SER 43 HB1 SER 43 -6.959 -5.190 -2.925 340 HG SER 43 HG SER 43 -5.553 -2.975 -3.995 341 H ALA 44 HN ALA 44 -5.196 -6.607 -5.967 342 HA ALA 44 HA ALA 44 -6.610 -9.046 -5.394 343 1HB ALA 44 HB1 ALA 44 -6.864 -7.752 -7.508 344 2HB ALA 44 HB3 ALA 44 -5.224 -8.224 -7.956 345 3HB ALA 44 HB2 ALA 44 -6.479 -9.453 -7.773 346 H ALA 45 HN ALA 45 -3.266 -8.285 -6.351 347 HA ALA 45 HA ALA 45 -2.381 -10.995 -6.487 348 1HB ALA 45 HB3 ALA 45 -0.793 -8.438 -6.167 349 2HB ALA 45 HB2 ALA 45 -0.122 -10.014 -6.584 350 3HB ALA 45 HB1 ALA 45 -1.233 -9.212 -7.692 351 H SER 46 HN SER 46 -1.823 -8.464 -4.013 352 HA SER 46 HA SER 46 -0.440 -10.193 -2.214 353 1HB SER 46 HB2 SER 46 -0.498 -7.570 -2.421 354 2HB SER 46 HB1 SER 46 -1.825 -7.712 -1.275 355 HG SER 46 HG SER 46 0.883 -8.528 -0.977 356 H GLY 47 HN GLY 47 -3.834 -9.505 -2.690 357 1HA GLY 47 HA2 GLY 47 -5.620 -10.812 -1.910 358 2HA GLY 47 HA1 GLY 47 -4.551 -11.547 -0.717 359 H ILE 48 HN ILE 48 -5.790 -8.316 -1.536 360 HA ILE 48 HA ILE 48 -6.292 -7.776 1.338 361 HB ILE 48 HB ILE 48 -5.956 -5.671 -0.799 362 1HG1 ILE 48 HG12 ILE 48 -3.778 -6.883 0.929 363 2HG1 ILE 48 HG11 ILE 48 -3.893 -6.989 -0.824 364 1HG2 ILE 48 HG23 ILE 48 -6.976 -5.233 1.531 365 2HG2 ILE 48 HG22 ILE 48 -5.327 -5.423 2.127 366 3HG2 ILE 48 HG21 ILE 48 -5.701 -4.158 0.955 367 1HD1 ILE 48 HD13 ILE 48 -3.980 -4.295 -0.510 368 2HD1 ILE 48 HD12 ILE 48 -2.985 -4.746 0.877 369 3HD1 ILE 48 HD11 ILE 48 -2.487 -5.205 -0.753 370 HA PRO 49 HA PRO 49 -10.517 -7.955 -0.208 371 1HB PRO 49 HB2 PRO 49 -11.772 -7.527 2.173 372 2HB PRO 49 HB1 PRO 49 -11.089 -9.080 1.678 373 1HG PRO 49 HG2 PRO 49 -9.982 -7.032 3.536 374 2HG PRO 49 HG1 PRO 49 -9.907 -8.799 3.638 375 1HD PRO 49 HD2 PRO 49 -7.835 -7.206 2.781 376 2HD PRO 49 HD1 PRO 49 -8.040 -8.908 2.327 377 H TYR 50 HN TYR 50 -12.134 -6.524 -0.736 378 HA TYR 50 HA TYR 50 -11.579 -3.663 -0.359 379 1HB TYR 50 HB2 TYR 50 -11.967 -4.717 -2.639 380 2HB TYR 50 HB1 TYR 50 -13.632 -4.985 -2.155 381 HD1 TYR 50 HD1 TYR 50 -11.278 -2.083 -1.836 382 HD2 TYR 50 HD2 TYR 50 -15.040 -3.525 -3.257 383 HE1 TYR 50 HE1 TYR 50 -11.836 0.170 -2.650 384 HE2 TYR 50 HE2 TYR 50 -15.595 -1.263 -4.065 385 HH TYR 50 HH TYR 50 -13.508 1.043 -4.655 386 H HIS 51 HN HIS 51 -12.234 -3.882 1.911 387 HA HIS 51 HA HIS 51 -13.650 -3.360 3.610 388 1HB HIS 51 HB2 HIS 51 -15.770 -3.033 1.461 389 2HB HIS 51 HB1 HIS 51 -15.995 -2.666 3.161 390 HD1 HIS 51 HD1 HIS 51 -16.481 -0.209 2.473 391 HD2 HIS 51 HD2 HIS 51 -12.613 -1.451 1.667 392 HE1 HIS 51 HE1 HIS 51 -15.198 1.894 2.029 393 H SER 52 HN SER 52 -16.538 -4.651 2.287 394 HA SER 52 HA SER 52 -15.975 -7.305 3.481 395 1HB SER 52 HB2 SER 52 -18.442 -5.599 3.886 396 2HB SER 52 HB1 SER 52 -18.324 -7.301 4.342 397 HG SER 52 HG SER 52 -16.939 -5.062 5.409 398 H GLU 53 HN GLU 53 -18.030 -5.421 1.270 399 HA GLU 53 HA GLU 53 -19.158 -7.745 -0.024 400 1HB GLU 53 HB2 GLU 53 -19.099 -4.870 -0.984 401 2HB GLU 53 HB1 GLU 53 -20.151 -6.152 -1.568 402 1HG GLU 53 HG2 GLU 53 -21.618 -5.208 -0.120 403 2HG GLU 53 HG1 GLU 53 -20.792 -6.228 1.044 404 H VAL 54 HN VAL 54 -17.001 -8.753 -0.401 405 HA VAL 54 HA VAL 54 -15.537 -7.649 -2.714 406 HB VAL 54 HB VAL 54 -14.561 -9.926 -1.007 407 1HG1 VAL 54 HG12 VAL 54 -13.577 -8.800 -3.301 408 2HG1 VAL 54 HG11 VAL 54 -12.678 -7.946 -2.048 409 3HG1 VAL 54 HG13 VAL 54 -12.631 -9.707 -2.124 410 1HG2 VAL 54 HG21 VAL 54 -14.518 -6.997 -0.367 411 2HG2 VAL 54 HG23 VAL 54 -14.892 -8.362 0.685 412 3HG2 VAL 54 HG22 VAL 54 -13.228 -8.060 0.190 413 HA PRO 55 HA PRO 55 -16.486 -12.065 -4.189 414 1HB PRO 55 HB2 PRO 55 -17.863 -13.817 -2.641 415 2HB PRO 55 HB1 PRO 55 -16.117 -13.567 -2.527 416 1HG PRO 55 HG2 PRO 55 -18.236 -12.773 -0.664 417 2HG PRO 55 HG1 PRO 55 -16.501 -12.949 -0.384 418 1HD PRO 55 HD2 PRO 55 -18.008 -10.533 -0.836 419 2HD PRO 55 HD1 PRO 55 -16.284 -10.707 -0.479 420 H VAL 56 HN VAL 56 -17.940 -12.355 -5.742 421 HA VAL 56 HA VAL 56 -20.824 -12.145 -5.219 422 HB VAL 56 HB VAL 56 -19.331 -10.533 -7.303 423 1HG1 VAL 56 HG11 VAL 56 -22.294 -11.026 -6.986 424 2HG1 VAL 56 HG13 VAL 56 -21.622 -9.703 -7.942 425 3HG1 VAL 56 HG12 VAL 56 -21.291 -11.376 -8.395 426 1HG2 VAL 56 HG22 VAL 56 -20.886 -9.849 -4.827 427 2HG2 VAL 56 HG21 VAL 56 -19.289 -9.287 -5.334 428 3HG2 VAL 56 HG23 VAL 56 -20.738 -8.691 -6.143 429 H SER 57 HN SER 57 -21.967 -13.607 -6.379 430 HA SER 57 HA SER 57 -20.523 -15.590 -7.900 431 1HB SER 57 HB2 SER 57 -23.388 -15.337 -7.055 432 2HB SER 57 HB1 SER 57 -22.706 -16.733 -7.857 433 HG SER 57 HG SER 57 -21.173 -16.843 -6.061 434 H LEU 58 HN LEU 58 -20.441 -15.747 -10.058 435 HA LEU 58 HA LEU 58 -22.111 -13.949 -11.717 436 1HB LEU 58 HB2 LEU 58 -19.471 -13.993 -11.702 437 2HB LEU 58 HB1 LEU 58 -19.684 -15.398 -12.736 438 HG LEU 58 HG LEU 58 -21.120 -13.984 -14.228 439 1HD1 LEU 58 HD11 LEU 58 -20.890 -12.142 -12.082 440 2HD1 LEU 58 HD13 LEU 58 -20.088 -11.429 -13.484 441 3HD1 LEU 58 HD12 LEU 58 -21.769 -11.951 -13.602 442 1HD2 LEU 58 HD23 LEU 58 -18.220 -13.771 -13.823 443 2HD2 LEU 58 HD22 LEU 58 -19.144 -14.110 -15.289 444 3HD2 LEU 58 HD21 LEU 58 -18.919 -12.444 -14.755 445 H LYS 59 HN LYS 59 -23.052 -16.484 -10.609 446 HA LYS 59 HA LYS 59 -23.053 -18.462 -12.708 447 1HB LYS 59 HB2 LYS 59 -23.291 -18.846 -10.174 448 2HB LYS 59 HB1 LYS 59 -24.969 -18.353 -10.377 449 1HG LYS 59 HG2 LYS 59 -24.561 -20.218 -12.406 450 2HG LYS 59 HG1 LYS 59 -23.673 -20.875 -11.038 451 1HD LYS 59 HD2 LYS 59 -25.711 -20.603 -9.634 452 2HD LYS 59 HD1 LYS 59 -26.583 -20.046 -11.054 453 1HE LYS 59 HE2 LYS 59 -27.146 -22.311 -10.959 454 2HE LYS 59 HE1 LYS 59 -25.832 -22.284 -12.130 455 1HZ LYS 59 HZ3 LYS 59 -24.337 -22.765 -10.140 456 2HZ LYS 59 HZ2 LYS 59 -25.777 -23.185 -9.320 457 3HZ LYS 59 HZ1 LYS 59 -25.312 -24.034 -10.728 458 H GLU 60 HN GLU 60 -24.227 -18.320 -14.485 459 HA GLU 60 HA GLU 60 -25.847 -17.825 -16.007 460 1HB GLU 60 HB2 GLU 60 -27.710 -17.541 -13.642 461 2HB GLU 60 HB1 GLU 60 -28.148 -17.892 -15.313 462 1HG GLU 60 HG2 GLU 60 -26.780 -20.016 -15.118 463 2HG GLU 60 HG1 GLU 60 -26.635 -19.681 -13.393 464 H ALA 61 HN ALA 61 -24.339 -15.819 -15.919 465 HA ALA 61 HA ALA 61 -25.803 -13.359 -15.183 466 1HB ALA 61 HB3 ALA 61 -23.407 -13.739 -14.452 467 2HB ALA 61 HB2 ALA 61 -22.941 -13.584 -16.149 468 3HB ALA 61 HB1 ALA 61 -23.709 -12.230 -15.312 469 H ILE 62 HN ILE 62 -26.879 -12.286 -16.711 470 HA ILE 62 HA ILE 62 -26.435 -12.883 -19.544 471 HB ILE 62 HB ILE 62 -28.483 -11.154 -18.143 472 1HG1 ILE 62 HG12 ILE 62 -28.971 -13.719 -19.645 473 2HG1 ILE 62 HG11 ILE 62 -28.587 -13.713 -17.930 474 1HG2 ILE 62 HG21 ILE 62 -27.813 -11.516 -21.016 475 2HG2 ILE 62 HG23 ILE 62 -29.526 -11.503 -20.588 476 3HG2 ILE 62 HG22 ILE 62 -28.506 -10.125 -20.175 477 1HD1 ILE 62 HD11 ILE 62 -30.757 -11.881 -18.795 478 2HD1 ILE 62 HD13 ILE 62 -31.100 -13.610 -18.857 479 3HD1 ILE 62 HD12 ILE 62 -30.614 -12.863 -17.337 480 H CYS 63 HN CYS 63 -25.357 -11.558 -20.891 481 HA CYS 63 HA CYS 63 -24.451 -8.934 -19.842 482 1HB CYS 63 HB2 CYS 63 -22.859 -11.043 -20.407 483 2HB CYS 63 HB1 CYS 63 -22.902 -10.275 -21.982 484 HG CYS 63 HG CYS 63 -22.193 -8.371 -19.697 485 H GLU 64 HN GLU 64 -24.904 -7.173 -21.004 486 HA GLU 64 HA GLU 64 -25.936 -7.461 -23.778 487 1HB GLU 64 HB2 GLU 64 -26.877 -5.379 -21.797 488 2HB GLU 64 HB1 GLU 64 -27.573 -5.776 -23.361 489 1HG GLU 64 HG2 GLU 64 -28.297 -7.959 -22.512 490 2HG GLU 64 HG1 GLU 64 -27.538 -7.622 -20.955 491 H VAL 65 HN VAL 65 -25.128 -5.983 -25.259 492 HA VAL 65 HA VAL 65 -22.797 -4.427 -24.448 493 HB VAL 65 HB VAL 65 -24.105 -4.648 -27.171 494 1HG1 VAL 65 HG13 VAL 65 -21.397 -3.665 -26.253 495 2HG1 VAL 65 HG12 VAL 65 -21.779 -4.044 -27.934 496 3HG1 VAL 65 HG11 VAL 65 -22.646 -2.750 -27.106 497 1HG2 VAL 65 HG22 VAL 65 -23.339 -6.852 -26.134 498 2HG2 VAL 65 HG21 VAL 65 -22.626 -6.427 -27.690 499 3HG2 VAL 65 HG23 VAL 65 -21.701 -6.198 -26.205 500 H ALA 66 HN ALA 66 -22.756 -2.289 -24.062 501 HA ALA 66 HA ALA 66 -25.144 -0.656 -24.709 502 1HB ALA 66 HB1 ALA 66 -24.675 -1.286 -22.222 503 2HB ALA 66 HB3 ALA 66 -23.402 -0.069 -22.331 504 3HB ALA 66 HB2 ALA 66 -25.080 0.380 -22.630 505 H LEU 67 HN LEU 67 -24.298 0.108 -26.609 506 HA LEU 67 HA LEU 67 -21.852 1.796 -26.457 507 1HB LEU 67 HB2 LEU 67 -22.529 -0.146 -28.293 508 2HB LEU 67 HB1 LEU 67 -23.021 1.331 -29.114 509 HG LEU 67 HG LEU 67 -20.672 2.201 -28.350 510 1HD1 LEU 67 HD12 LEU 67 -20.364 -0.041 -27.055 511 2HD1 LEU 67 HD11 LEU 67 -19.924 -0.690 -28.637 512 3HD1 LEU 67 HD13 LEU 67 -18.999 0.641 -27.946 513 1HD2 LEU 67 HD22 LEU 67 -21.111 0.252 -30.613 514 2HD2 LEU 67 HD21 LEU 67 -21.273 2.012 -30.661 515 3HD2 LEU 67 HD23 LEU 67 -19.681 1.280 -30.452 516 H ASP 68 HN ASP 68 -25.071 2.126 -26.076 517 HA ASP 68 HA ASP 68 -25.120 4.874 -27.171 518 1HB ASP 68 HB2 ASP 68 -27.587 4.538 -27.568 519 2HB ASP 68 HB1 ASP 68 -26.532 3.613 -28.628 520 H TYR 69 HN TYR 69 -24.463 3.820 -24.471 521 HA TYR 69 HA TYR 69 -26.719 4.537 -22.769 522 1HB TYR 69 HB2 TYR 69 -25.077 2.749 -22.167 523 2HB TYR 69 HB1 TYR 69 -23.828 3.979 -22.041 524 HD1 TYR 69 HD1 TYR 69 -27.368 3.690 -20.834 525 HD2 TYR 69 HD2 TYR 69 -23.273 4.396 -19.845 526 HE1 TYR 69 HE1 TYR 69 -28.000 4.087 -18.492 527 HE2 TYR 69 HE2 TYR 69 -23.915 4.799 -17.502 528 HH TYR 69 HH TYR 69 -27.175 4.188 -16.358 529 H LYS 70 HN LYS 70 -27.061 6.670 -23.513 530 HA LYS 70 HA LYS 70 -26.985 8.935 -23.370 531 1HB LYS 70 HB2 LYS 70 -24.821 8.444 -21.314 532 2HB LYS 70 HB1 LYS 70 -25.439 10.031 -21.734 533 1HG LYS 70 HG2 LYS 70 -27.711 8.447 -21.235 534 2HG LYS 70 HG1 LYS 70 -26.563 8.047 -19.959 535 1HD LYS 70 HD2 LYS 70 -26.277 10.537 -19.585 536 2HD LYS 70 HD1 LYS 70 -27.611 10.785 -20.707 537 1HE LYS 70 HE2 LYS 70 -28.516 10.867 -18.499 538 2HE LYS 70 HE1 LYS 70 -29.031 9.343 -19.217 539 1HZ LYS 70 HZ1 LYS 70 -26.540 9.173 -17.783 540 2HZ LYS 70 HZ3 LYS 70 -27.858 9.613 -16.807 541 3HZ LYS 70 HZ2 LYS 70 -27.915 8.164 -17.710 542 H LYS 71 HN LYS 71 -23.510 8.459 -22.839 543 HA LYS 71 HA LYS 71 -22.808 8.714 -25.595 544 1HB LYS 71 HB2 LYS 71 -23.487 11.121 -24.707 545 2HB LYS 71 HB1 LYS 71 -21.866 11.090 -24.029 546 1HG LYS 71 HG2 LYS 71 -21.677 12.104 -26.170 547 2HG LYS 71 HG1 LYS 71 -21.044 10.472 -26.351 548 1HD LYS 71 HD2 LYS 71 -23.941 10.754 -26.878 549 2HD LYS 71 HD1 LYS 71 -22.897 11.606 -28.009 550 1HE LYS 71 HE2 LYS 71 -22.422 9.681 -29.067 551 2HE LYS 71 HE1 LYS 71 -21.806 8.981 -27.577 552 1HZ LYS 71 HZ3 LYS 71 -24.706 9.068 -27.877 553 2HZ LYS 71 HZ2 LYS 71 -23.860 7.975 -28.884 554 3HZ LYS 71 HZ1 LYS 71 -23.713 7.871 -27.187 555 H LYS 72 HN LYS 72 -22.116 6.742 -24.044 556 HA LYS 72 HA LYS 72 -19.381 7.238 -23.033 557 1HB LYS 72 HB2 LYS 72 -21.259 4.914 -22.562 558 2HB LYS 72 HB1 LYS 72 -19.613 5.028 -21.938 559 1HG LYS 72 HG2 LYS 72 -20.498 7.348 -21.002 560 2HG LYS 72 HG1 LYS 72 -22.057 6.555 -21.141 561 1HD LYS 72 HD2 LYS 72 -21.582 5.839 -19.034 562 2HD LYS 72 HD1 LYS 72 -20.664 4.606 -19.885 563 1HE LYS 72 HE2 LYS 72 -19.250 5.498 -18.176 564 2HE LYS 72 HE1 LYS 72 -18.643 6.093 -19.720 565 1HZ LYS 72 HZ1 LYS 72 -20.536 7.679 -18.087 566 2HZ LYS 72 HZ3 LYS 72 -18.855 7.739 -17.805 567 3HZ LYS 72 HZ2 LYS 72 -19.487 8.213 -19.322 568 H LYS 73 HN LYS 73 -17.701 5.783 -23.648 569 HA LYS 73 HA LYS 73 -17.677 5.212 -26.437 570 1HB LYS 73 HB2 LYS 73 -15.707 4.532 -24.253 571 2HB LYS 73 HB1 LYS 73 -15.397 4.381 -25.980 572 1HG LYS 73 HG2 LYS 73 -16.167 6.900 -26.022 573 2HG LYS 73 HG1 LYS 73 -15.724 6.847 -24.320 574 1HD LYS 73 HD2 LYS 73 -13.467 6.124 -24.886 575 2HD LYS 73 HD1 LYS 73 -13.897 6.052 -26.596 576 1HE LYS 73 HE2 LYS 73 -14.341 8.472 -26.603 577 2HE LYS 73 HE1 LYS 73 -13.908 8.560 -24.899 578 1HZ LYS 73 HZ2 LYS 73 -11.810 7.303 -26.262 579 2HZ LYS 73 HZ1 LYS 73 -12.234 8.704 -27.135 580 3HZ LYS 73 HZ3 LYS 73 -11.811 8.828 -25.492 581 H HIS 74 HN HIS 74 -16.784 2.847 -23.886 582 HA HIS 74 HA HIS 74 -18.347 0.772 -25.332 583 1HB HIS 74 HB2 HIS 74 -15.445 0.793 -24.568 584 2HB HIS 74 HB1 HIS 74 -16.312 -0.736 -24.541 585 HD1 HIS 74 HD1 HIS 74 -14.517 1.459 -26.762 586 HD2 HIS 74 HD2 HIS 74 -17.532 -1.345 -27.191 587 HE1 HIS 74 HE1 HIS 74 -14.591 0.953 -29.210 588 H VAL 75 HN VAL 75 -19.991 0.606 -23.866 589 HA VAL 75 HA VAL 75 -19.276 -0.290 -21.130 590 HB VAL 75 HB VAL 75 -21.714 1.275 -22.018 591 1HG1 VAL 75 HG12 VAL 75 -20.896 0.197 -19.326 592 2HG1 VAL 75 HG11 VAL 75 -22.068 1.503 -19.519 593 3HG1 VAL 75 HG13 VAL 75 -22.400 -0.085 -20.203 594 1HG2 VAL 75 HG23 VAL 75 -19.169 2.267 -21.492 595 2HG2 VAL 75 HG22 VAL 75 -20.675 3.176 -21.529 596 3HG2 VAL 75 HG21 VAL 75 -20.074 2.542 -19.999 597 H PHE 76 HN PHE 76 -20.730 -1.867 -20.233 598 HA PHE 76 HA PHE 76 -22.635 -3.166 -22.003 599 1HB PHE 76 HB2 PHE 76 -21.685 -5.362 -21.879 600 2HB PHE 76 HB1 PHE 76 -20.486 -4.280 -22.550 601 HD1 PHE 76 HD2 PHE 76 -21.423 -6.284 -19.605 602 HD2 PHE 76 HD1 PHE 76 -18.415 -3.849 -21.407 603 HE1 PHE 76 HE2 PHE 76 -19.795 -7.078 -17.935 604 HE2 PHE 76 HE1 PHE 76 -16.770 -4.647 -19.750 605 HZ PHE 76 HZ PHE 76 -17.459 -6.257 -18.009 606 H LYS 77 HN LYS 77 -24.224 -4.156 -20.913 607 HA LYS 77 HA LYS 77 -24.343 -3.672 -18.029 608 1HB LYS 77 HB2 LYS 77 -26.585 -4.976 -19.505 609 2HB LYS 77 HB1 LYS 77 -26.634 -3.809 -18.190 610 1HG LYS 77 HG2 LYS 77 -25.577 -2.199 -19.991 611 2HG LYS 77 HG1 LYS 77 -26.300 -3.334 -21.124 612 1HD LYS 77 HD2 LYS 77 -27.798 -1.928 -18.907 613 2HD LYS 77 HD1 LYS 77 -27.760 -1.394 -20.583 614 1HE LYS 77 HE2 LYS 77 -28.635 -4.192 -19.913 615 2HE LYS 77 HE1 LYS 77 -29.759 -2.853 -19.734 616 1HZ LYS 77 HZ2 LYS 77 -28.324 -2.969 -22.254 617 2HZ LYS 77 HZ1 LYS 77 -29.462 -4.213 -21.982 618 3HZ LYS 77 HZ3 LYS 77 -29.956 -2.579 -21.933 619 H LEU 78 HN LEU 78 -24.644 -5.248 -16.516 620 HA LEU 78 HA LEU 78 -24.364 -8.063 -17.350 621 1HB LEU 78 HB2 LEU 78 -22.174 -7.015 -16.640 622 2HB LEU 78 HB1 LEU 78 -22.864 -6.806 -15.042 623 HG LEU 78 HG LEU 78 -22.946 -9.073 -14.658 624 1HD1 LEU 78 HD12 LEU 78 -22.723 -9.446 -17.628 625 2HD1 LEU 78 HD11 LEU 78 -22.416 -10.767 -16.497 626 3HD1 LEU 78 HD13 LEU 78 -23.998 -9.997 -16.537 627 1HD2 LEU 78 HD22 LEU 78 -20.475 -8.152 -15.945 628 2HD2 LEU 78 HD21 LEU 78 -20.746 -8.803 -14.325 629 3HD2 LEU 78 HD23 LEU 78 -20.625 -9.895 -15.701 630 H ARG 79 HN ARG 79 -26.241 -8.866 -16.798 631 HA ARG 79 HA ARG 79 -27.566 -8.073 -14.273 632 1HB ARG 79 HB2 ARG 79 -28.766 -7.828 -16.471 633 2HB ARG 79 HB1 ARG 79 -28.727 -9.579 -16.633 634 1HG ARG 79 HG2 ARG 79 -29.924 -9.706 -14.401 635 2HG ARG 79 HG1 ARG 79 -30.132 -7.961 -14.503 636 1HD ARG 79 HD2 ARG 79 -31.246 -10.061 -16.374 637 2HD ARG 79 HD1 ARG 79 -32.151 -8.963 -15.333 638 HE ARG 79 HE ARG 79 -31.331 -8.410 -17.978 639 1HH1 ARG 79 HH11 ARG 79 -32.733 -6.868 -15.356 640 2HH1 ARG 79 HH12 ARG 79 -32.100 -5.276 -15.675 641 1HH2 ARG 79 HH21 ARG 79 -29.944 -6.367 -18.244 642 2HH2 ARG 79 HH22 ARG 79 -30.535 -4.981 -17.363 643 H LEU 80 HN LEU 80 -27.475 -9.436 -12.624 644 HA LEU 80 HA LEU 80 -26.624 -12.226 -13.029 645 1HB LEU 80 HB2 LEU 80 -27.008 -10.673 -10.458 646 2HB LEU 80 HB1 LEU 80 -26.220 -12.238 -10.635 647 HG LEU 80 HG LEU 80 -25.280 -9.583 -11.719 648 1HD1 LEU 80 HD12 LEU 80 -24.942 -10.213 -9.251 649 2HD1 LEU 80 HD11 LEU 80 -23.794 -11.408 -9.855 650 3HD1 LEU 80 HD13 LEU 80 -23.526 -9.698 -10.174 651 1HD2 LEU 80 HD23 LEU 80 -24.181 -12.358 -12.170 652 2HD2 LEU 80 HD22 LEU 80 -24.718 -11.195 -13.386 653 3HD2 LEU 80 HD21 LEU 80 -23.257 -10.885 -12.451 654 H SER 81 HN SER 81 -28.009 -13.913 -12.770 655 HA SER 81 HA SER 81 -30.837 -13.418 -12.557 656 1HB SER 81 HB2 SER 81 -29.353 -16.055 -12.634 657 2HB SER 81 HB1 SER 81 -31.075 -15.808 -12.934 658 HG SER 81 HG SER 81 -28.872 -15.236 -14.563 659 H ASP 82 HN ASP 82 -29.294 -12.753 -10.149 660 HA ASP 82 HA ASP 82 -30.618 -14.538 -8.188 661 1HB ASP 82 HB2 ASP 82 -28.876 -14.238 -6.637 662 2HB ASP 82 HB1 ASP 82 -28.051 -14.494 -8.167 663 H GLY 83 HN GLY 83 -29.562 -11.192 -8.743 664 1HA GLY 83 HA2 GLY 83 -31.827 -9.784 -8.524 665 2HA GLY 83 HA1 GLY 83 -31.477 -10.125 -6.826 666 H ASN 84 HN ASN 84 -29.519 -9.207 -9.716 667 HA ASN 84 HA ASN 84 -28.624 -6.751 -8.405 668 1HB ASN 84 HB2 ASN 84 -26.831 -9.101 -9.019 669 2HB ASN 84 HB1 ASN 84 -26.199 -7.459 -9.033 670 1HD2 ASN 84 HD22 ASN 84 -26.752 -9.398 -5.555 671 2HD2 ASN 84 HD21 ASN 84 -27.017 -10.131 -7.108 672 H GLU 85 HN GLU 85 -27.890 -5.234 -9.870 673 HA GLU 85 HA GLU 85 -27.737 -5.922 -12.739 674 1HB GLU 85 HB2 GLU 85 -29.580 -3.938 -11.412 675 2HB GLU 85 HB1 GLU 85 -29.029 -3.677 -13.069 676 1HG GLU 85 HG2 GLU 85 -29.908 -5.927 -13.665 677 2HG GLU 85 HG1 GLU 85 -30.534 -6.085 -12.023 678 H TYR 86 HN TYR 86 -25.685 -5.328 -13.231 679 HA TYR 86 HA TYR 86 -24.690 -2.708 -12.247 680 1HB TYR 86 HB2 TYR 86 -22.956 -5.126 -12.773 681 2HB TYR 86 HB1 TYR 86 -22.475 -3.597 -12.059 682 HD1 TYR 86 HD1 TYR 86 -24.173 -3.039 -9.899 683 HD2 TYR 86 HD2 TYR 86 -22.900 -6.871 -11.278 684 HE1 TYR 86 HE1 TYR 86 -24.504 -3.955 -7.647 685 HE2 TYR 86 HE2 TYR 86 -23.241 -7.787 -9.018 686 HH TYR 86 HH TYR 86 -25.009 -6.637 -6.799 687 H LEU 87 HN LEU 87 -23.457 -1.498 -13.626 688 HA LEU 87 HA LEU 87 -23.440 -2.274 -16.489 689 1HB LEU 87 HB2 LEU 87 -23.225 0.492 -15.249 690 2HB LEU 87 HB1 LEU 87 -23.202 0.129 -16.971 691 HG LEU 87 HG LEU 87 -25.493 -0.106 -15.044 692 1HD1 LEU 87 HD12 LEU 87 -24.746 2.000 -16.502 693 2HD1 LEU 87 HD11 LEU 87 -25.689 1.155 -17.725 694 3HD1 LEU 87 HD13 LEU 87 -26.438 1.623 -16.198 695 1HD2 LEU 87 HD23 LEU 87 -25.228 -1.290 -17.807 696 2HD2 LEU 87 HD22 LEU 87 -25.638 -2.128 -16.310 697 3HD2 LEU 87 HD21 LEU 87 -26.783 -0.998 -17.025 698 H PHE 88 HN PHE 88 -21.486 -2.783 -17.269 699 HA PHE 88 HA PHE 88 -19.068 -1.905 -15.799 700 1HB PHE 88 HB2 PHE 88 -19.750 -4.440 -17.246 701 2HB PHE 88 HB1 PHE 88 -18.074 -3.972 -17.001 702 HD1 PHE 88 HD1 PHE 88 -17.250 -3.578 -14.648 703 HD2 PHE 88 HD2 PHE 88 -20.973 -5.490 -15.515 704 HE1 PHE 88 HE1 PHE 88 -17.279 -4.543 -12.387 705 HE2 PHE 88 HE2 PHE 88 -21.006 -6.447 -13.247 706 HZ PHE 88 HZ PHE 88 -19.168 -5.977 -11.682 707 H GLN 89 HN GLN 89 -17.365 -1.057 -16.962 708 HA GLN 89 HA GLN 89 -17.649 -0.841 -19.886 709 1HB GLN 89 HB2 GLN 89 -18.353 1.272 -19.637 710 2HB GLN 89 HB1 GLN 89 -17.879 1.348 -17.955 711 1HG GLN 89 HG2 GLN 89 -15.578 1.873 -18.591 712 2HG GLN 89 HG1 GLN 89 -15.997 1.691 -20.297 713 1HE2 GLN 89 HE22 GLN 89 -17.035 4.980 -20.617 714 2HE2 GLN 89 HE21 GLN 89 -16.458 3.511 -21.333 715 H ALA 90 HN ALA 90 -15.789 -0.841 -21.015 716 HA ALA 90 HA ALA 90 -13.270 -1.282 -19.497 717 1HB ALA 90 HB3 ALA 90 -14.372 -3.100 -21.069 718 2HB ALA 90 HB2 ALA 90 -13.612 -2.144 -22.346 719 3HB ALA 90 HB1 ALA 90 -12.626 -2.850 -21.067 720 H LYS 91 HN LYS 91 -11.278 -0.588 -20.732 721 HA LYS 91 HA LYS 91 -11.698 2.147 -21.702 722 1HB LYS 91 HB2 LYS 91 -9.333 2.450 -21.404 723 2HB LYS 91 HB1 LYS 91 -9.982 1.641 -19.986 724 1HG LYS 91 HG2 LYS 91 -9.254 -0.527 -21.370 725 2HG LYS 91 HG1 LYS 91 -8.127 0.622 -22.078 726 1HD LYS 91 HD2 LYS 91 -7.759 1.242 -19.497 727 2HD LYS 91 HD1 LYS 91 -8.280 -0.427 -19.292 728 1HE LYS 91 HE2 LYS 91 -5.970 0.527 -20.988 729 2HE LYS 91 HE1 LYS 91 -5.850 -0.304 -19.443 730 1HZ LYS 91 HZ3 LYS 91 -7.327 -2.045 -20.778 731 2HZ LYS 91 HZ2 LYS 91 -6.467 -1.358 -22.083 732 3HZ LYS 91 HZ1 LYS 91 -5.622 -2.075 -20.788 733 H ASP 92 HN ASP 92 -10.614 -0.955 -22.947 734 HA ASP 92 HA ASP 92 -10.224 0.237 -25.639 735 1HB ASP 92 HB2 ASP 92 -8.537 -1.446 -24.143 736 2HB ASP 92 HB1 ASP 92 -9.256 -2.501 -25.353 737 H ASP 93 HN ASP 93 -11.180 -0.793 -27.439 738 HA ASP 93 HA ASP 93 -13.766 -1.875 -27.021 739 1HB ASP 93 HB2 ASP 93 -13.987 -1.996 -29.355 740 2HB ASP 93 HB1 ASP 93 -12.910 -0.633 -29.084 741 H GLU 94 HN GLU 94 -10.680 -3.416 -27.765 742 HA GLU 94 HA GLU 94 -11.669 -6.081 -28.053 743 1HB GLU 94 HB2 GLU 94 -9.376 -5.100 -28.765 744 2HB GLU 94 HB1 GLU 94 -8.890 -5.398 -27.100 745 1HG GLU 94 HG2 GLU 94 -8.374 -7.494 -27.739 746 2HG GLU 94 HG1 GLU 94 -10.107 -7.788 -27.854 747 H GLU 95 HN GLU 95 -10.452 -4.176 -25.330 748 HA GLU 95 HA GLU 95 -10.338 -6.181 -23.349 749 1HB GLU 95 HB2 GLU 95 -9.549 -3.680 -23.331 750 2HB GLU 95 HB1 GLU 95 -11.159 -3.366 -22.697 751 1HG GLU 95 HG2 GLU 95 -10.705 -5.035 -20.885 752 2HG GLU 95 HG1 GLU 95 -9.053 -5.179 -21.489 753 H MET 96 HN MET 96 -12.966 -3.962 -24.284 754 HA MET 96 HA MET 96 -14.917 -4.776 -22.413 755 1HB MET 96 HB2 MET 96 -14.963 -2.755 -23.971 756 2HB MET 96 HB1 MET 96 -15.501 -3.858 -25.230 757 1HG MET 96 HG2 MET 96 -17.279 -4.524 -23.351 758 2HG MET 96 HG1 MET 96 -16.933 -2.890 -22.806 759 1HE MET 96 HE3 MET 96 -17.775 -5.161 -25.623 760 2HE MET 96 HE2 MET 96 -19.034 -4.332 -26.536 761 3HE MET 96 HE1 MET 96 -17.339 -4.014 -26.900 762 H ASN 97 HN ASN 97 -14.237 -5.921 -25.709 763 HA ASN 97 HA ASN 97 -16.314 -7.855 -25.842 764 1HB ASN 97 HB2 ASN 97 -14.914 -6.841 -27.750 765 2HB ASN 97 HB1 ASN 97 -13.697 -8.043 -27.339 766 1HD2 ASN 97 HD22 ASN 97 -15.301 -10.107 -29.673 767 2HD2 ASN 97 HD21 ASN 97 -13.895 -9.168 -29.260 768 H THR 98 HN THR 98 -12.925 -8.051 -24.780 769 HA THR 98 HA THR 98 -12.795 -10.863 -24.421 770 HB THR 98 HB THR 98 -11.270 -8.742 -22.892 771 HG1 THR 98 HG1 THR 98 -11.127 -8.530 -25.204 772 1HG2 THR 98 HG22 THR 98 -10.963 -11.692 -23.251 773 2HG2 THR 98 HG21 THR 98 -9.509 -10.701 -23.130 774 3HG2 THR 98 HG23 THR 98 -10.690 -10.695 -21.820 775 H TRP 99 HN TRP 99 -13.865 -8.232 -22.308 776 HA TRP 99 HA TRP 99 -14.196 -9.809 -19.947 777 1HB TRP 99 HB2 TRP 99 -15.126 -7.094 -20.835 778 2HB TRP 99 HB1 TRP 99 -15.852 -7.822 -19.408 779 HD1 TRP 99 HD1 TRP 99 -13.042 -5.628 -20.302 780 HE1 TRP 99 HE1 TRP 99 -11.328 -5.548 -18.413 781 HE3 TRP 99 HE3 TRP 99 -14.620 -9.615 -17.493 782 HZ2 TRP 99 HZ2 TRP 99 -10.688 -6.949 -16.066 783 HZ3 TRP 99 HZ3 TRP 99 -13.401 -10.188 -15.436 784 HH2 TRP 99 HH2 TRP 99 -11.453 -8.865 -14.726 785 H ILE 100 HN ILE 100 -16.457 -8.721 -22.481 786 HA ILE 100 HA ILE 100 -18.789 -9.951 -21.450 787 HB ILE 100 HB ILE 100 -17.996 -9.151 -24.255 788 1HG1 ILE 100 HG12 ILE 100 -19.905 -7.911 -22.253 789 2HG1 ILE 100 HG11 ILE 100 -18.280 -7.335 -22.601 790 1HG2 ILE 100 HG21 ILE 100 -20.626 -10.259 -23.255 791 2HG2 ILE 100 HG23 ILE 100 -20.472 -9.328 -24.745 792 3HG2 ILE 100 HG22 ILE 100 -19.627 -10.866 -24.580 793 1HD1 ILE 100 HD13 ILE 100 -19.355 -7.408 -25.112 794 2HD1 ILE 100 HD12 ILE 100 -20.772 -6.999 -24.139 795 3HD1 ILE 100 HD11 ILE 100 -19.335 -5.979 -24.077 796 H GLN 101 HN GLN 101 -16.244 -11.135 -23.623 797 HA GLN 101 HA GLN 101 -17.396 -13.636 -24.297 798 1HB GLN 101 HB2 GLN 101 -14.626 -12.493 -24.340 799 2HB GLN 101 HB1 GLN 101 -14.828 -14.228 -24.550 800 1HG GLN 101 HG2 GLN 101 -16.328 -13.859 -26.444 801 2HG GLN 101 HG1 GLN 101 -16.210 -12.115 -26.219 802 1HE2 GLN 101 HE22 GLN 101 -12.783 -14.048 -27.453 803 2HE2 GLN 101 HE21 GLN 101 -13.836 -14.787 -26.280 804 H ALA 102 HN ALA 102 -15.095 -12.703 -21.729 805 HA ALA 102 HA ALA 102 -14.769 -15.265 -20.570 806 1HB ALA 102 HB1 ALA 102 -13.251 -13.378 -20.137 807 2HB ALA 102 HB3 ALA 102 -14.528 -12.547 -19.251 808 3HB ALA 102 HB2 ALA 102 -13.865 -14.062 -18.636 809 H ILE 103 HN ILE 103 -17.028 -12.623 -19.835 810 HA ILE 103 HA ILE 103 -18.309 -13.812 -17.597 811 HB ILE 103 HB ILE 103 -19.151 -11.706 -19.585 812 1HG1 ILE 103 HG12 ILE 103 -18.679 -11.252 -16.667 813 2HG1 ILE 103 HG11 ILE 103 -17.289 -11.481 -17.719 814 1HG2 ILE 103 HG23 ILE 103 -20.669 -12.697 -17.168 815 2HG2 ILE 103 HG22 ILE 103 -20.948 -11.130 -17.926 816 3HG2 ILE 103 HG21 ILE 103 -21.232 -12.609 -18.840 817 1HD1 ILE 103 HD11 ILE 103 -18.730 -9.670 -19.158 818 2HD1 ILE 103 HD13 ILE 103 -19.145 -9.204 -17.508 819 3HD1 ILE 103 HD12 ILE 103 -17.455 -9.245 -18.011 820 H SER 104 HN SER 104 -18.944 -13.976 -21.086 821 HA SER 104 HA SER 104 -21.368 -15.491 -20.901 822 1HB SER 104 HB2 SER 104 -19.434 -15.314 -23.225 823 2HB SER 104 HB1 SER 104 -21.112 -15.854 -23.290 824 HG SER 104 HG SER 104 -20.121 -13.242 -22.758 825 H SER 105 HN SER 105 -18.046 -16.301 -20.550 826 HA SER 105 HA SER 105 -18.397 -19.153 -21.129 827 1HB SER 105 HB2 SER 105 -15.952 -17.723 -20.070 828 2HB SER 105 HB1 SER 105 -16.021 -19.337 -20.769 829 HG SER 105 HG SER 105 -16.753 -16.981 -22.192 830 H ALA 106 HN ALA 106 -19.423 -17.383 -18.644 831 HA ALA 106 HA ALA 106 -18.360 -18.965 -16.426 832 1HB ALA 106 HB1 ALA 106 -20.416 -16.737 -16.508 833 2HB ALA 106 HB3 ALA 106 -19.818 -17.506 -15.039 834 3HB ALA 106 HB2 ALA 106 -18.719 -16.578 -16.058 No H/Q in entry = 834 Start of MODEL 22 1 1H MET 1 HT1 MET 1 -8.255 -13.288 -15.427 2 2H MET 1 HT3 MET 1 -9.502 -13.982 -16.348 3 3H MET 1 HT2 MET 1 -7.923 -13.897 -16.986 4 HA MET 1 HA MET 1 -8.115 -11.804 -17.627 5 1HB MET 1 HB2 MET 1 -10.135 -12.919 -18.544 6 2HB MET 1 HB1 MET 1 -11.055 -12.353 -17.156 7 1HG MET 1 HG2 MET 1 -11.387 -10.933 -19.159 8 2HG MET 1 HG1 MET 1 -10.705 -10.034 -17.813 9 1HE MET 1 HE1 MET 1 -10.541 -8.456 -20.256 10 2HE MET 1 HE3 MET 1 -9.493 -8.018 -18.898 11 3HE MET 1 HE2 MET 1 -8.832 -8.102 -20.526 12 H GLU 2 HN GLU 2 -7.061 -11.006 -15.667 13 HA GLU 2 HA GLU 2 -8.773 -9.601 -13.750 14 1HB GLU 2 HB2 GLU 2 -5.950 -10.576 -13.832 15 2HB GLU 2 HB1 GLU 2 -6.347 -9.234 -12.803 16 1HG GLU 2 HG2 GLU 2 -6.548 -11.187 -11.458 17 2HG GLU 2 HG1 GLU 2 -8.183 -10.645 -11.815 18 H GLY 3 HN GLY 3 -8.870 -7.386 -13.719 19 1HA GLY 3 HA2 GLY 3 -6.922 -5.588 -14.634 20 2HA GLY 3 HA1 GLY 3 -8.052 -5.858 -15.963 21 H PHE 4 HN PHE 4 -7.948 -3.373 -15.165 22 HA PHE 4 HA PHE 4 -9.836 -2.759 -13.034 23 1HB PHE 4 HB2 PHE 4 -8.160 -1.133 -14.919 24 2HB PHE 4 HB1 PHE 4 -9.467 -0.373 -14.025 25 HD1 PHE 4 HD1 PHE 4 -9.479 -0.789 -11.433 26 HD2 PHE 4 HD2 PHE 4 -6.065 -1.266 -13.957 27 HE1 PHE 4 HE1 PHE 4 -8.001 -0.557 -9.477 28 HE2 PHE 4 HE2 PHE 4 -4.589 -1.028 -12.002 29 HZ PHE 4 HZ PHE 4 -5.591 -0.647 -9.735 30 H LEU 5 HN LEU 5 -11.828 -1.869 -13.269 31 HA LEU 5 HA LEU 5 -13.033 -1.469 -15.906 32 1HB LEU 5 HB2 LEU 5 -13.688 -3.727 -14.066 33 2HB LEU 5 HB1 LEU 5 -15.048 -2.879 -14.780 34 HG LEU 5 HG LEU 5 -12.776 -4.046 -16.377 35 1HD1 LEU 5 HD13 LEU 5 -15.311 -5.227 -15.360 36 2HD1 LEU 5 HD12 LEU 5 -14.785 -5.664 -16.984 37 3HD1 LEU 5 HD11 LEU 5 -13.736 -5.976 -15.596 38 1HD2 LEU 5 HD22 LEU 5 -15.450 -2.859 -17.120 39 2HD2 LEU 5 HD21 LEU 5 -13.846 -2.340 -17.643 40 3HD2 LEU 5 HD23 LEU 5 -14.510 -3.871 -18.219 41 H ASN 6 HN ASN 6 -14.781 -0.065 -15.824 42 HA ASN 6 HA ASN 6 -15.124 1.429 -13.323 43 1HB ASN 6 HB2 ASN 6 -15.042 2.196 -16.020 44 2HB ASN 6 HB1 ASN 6 -16.735 2.346 -15.579 45 1HD2 ASN 6 HD22 ASN 6 -15.577 5.620 -14.725 46 2HD2 ASN 6 HD21 ASN 6 -16.168 4.651 -16.043 47 H ARG 7 HN ARG 7 -16.682 0.813 -11.947 48 HA ARG 7 HA ARG 7 -18.935 -0.799 -12.988 49 1HB ARG 7 HB2 ARG 7 -17.502 -1.838 -11.250 50 2HB ARG 7 HB1 ARG 7 -17.926 -0.537 -10.140 51 1HG ARG 7 HG2 ARG 7 -20.279 -1.191 -10.232 52 2HG ARG 7 HG1 ARG 7 -19.915 -2.425 -11.432 53 1HD ARG 7 HD2 ARG 7 -19.960 -3.724 -9.535 54 2HD ARG 7 HD1 ARG 7 -18.253 -3.288 -9.555 55 HE ARG 7 HE ARG 7 -19.670 -1.336 -8.072 56 1HH1 ARG 7 HH11 ARG 7 -17.239 -3.288 -7.371 57 2HH1 ARG 7 HH12 ARG 7 -17.832 -3.979 -5.888 58 1HH2 ARG 7 HH21 ARG 7 -21.109 -2.775 -6.334 59 2HH2 ARG 7 HH22 ARG 7 -20.050 -3.707 -5.315 60 H LYS 8 HN LYS 8 -20.848 0.070 -13.113 61 HA LYS 8 HA LYS 8 -21.597 2.392 -11.423 62 1HB LYS 8 HB2 LYS 8 -21.415 2.710 -13.967 63 2HB LYS 8 HB1 LYS 8 -22.825 1.678 -14.088 64 1HG LYS 8 HG2 LYS 8 -23.776 3.383 -12.283 65 2HG LYS 8 HG1 LYS 8 -22.579 4.448 -13.009 66 1HD LYS 8 HD2 LYS 8 -24.229 4.913 -14.500 67 2HD LYS 8 HD1 LYS 8 -23.729 3.399 -15.240 68 1HE LYS 8 HE2 LYS 8 -26.070 3.226 -15.040 69 2HE LYS 8 HE1 LYS 8 -25.433 2.253 -13.721 70 1HZ LYS 8 HZ1 LYS 8 -26.268 5.079 -13.384 71 2HZ LYS 8 HZ3 LYS 8 -27.327 3.760 -13.159 72 3HZ LYS 8 HZ2 LYS 8 -25.950 3.932 -12.170 73 H HIS 9 HN HIS 9 -22.596 1.291 -9.756 74 HA HIS 9 HA HIS 9 -24.296 -0.980 -10.205 75 1HB HIS 9 HB2 HIS 9 -24.975 -0.431 -7.720 76 2HB HIS 9 HB1 HIS 9 -23.433 -1.168 -8.100 77 HD1 HIS 9 HD1 HIS 9 -22.611 -0.262 -5.816 78 HD2 HIS 9 HD2 HIS 9 -23.543 2.693 -8.564 79 HE1 HIS 9 HE1 HIS 9 -21.584 1.828 -4.896 80 H GLU 10 HN GLU 10 -25.965 -0.530 -11.493 81 HA GLU 10 HA GLU 10 -27.628 1.784 -11.351 82 1HB GLU 10 HB2 GLU 10 -27.393 0.285 -13.353 83 2HB GLU 10 HB1 GLU 10 -28.287 -0.955 -12.484 84 1HG GLU 10 HG2 GLU 10 -30.069 -0.038 -13.560 85 2HG GLU 10 HG1 GLU 10 -30.023 1.112 -12.227 86 H TRP 11 HN TRP 11 -27.808 -1.490 -10.038 87 HA TRP 11 HA TRP 11 -29.626 -0.612 -7.933 88 1HB TRP 11 HB2 TRP 11 -31.074 -1.391 -9.822 89 2HB TRP 11 HB1 TRP 11 -30.299 -2.964 -9.720 90 HD1 TRP 11 HD1 TRP 11 -32.487 -0.622 -7.498 91 HE1 TRP 11 HE1 TRP 11 -33.842 -2.127 -5.928 92 HE3 TRP 11 HE3 TRP 11 -30.543 -5.170 -8.772 93 HZ2 TRP 11 HZ2 TRP 11 -34.066 -4.843 -5.300 94 HZ3 TRP 11 HZ3 TRP 11 -31.376 -7.185 -7.633 95 HH2 TRP 11 HH2 TRP 11 -33.115 -7.028 -5.923 96 H GLU 12 HN GLU 12 -28.318 -1.062 -6.321 97 HA GLU 12 HA GLU 12 -27.416 -3.822 -5.859 98 1HB GLU 12 HB2 GLU 12 -25.539 -2.522 -6.926 99 2HB GLU 12 HB1 GLU 12 -25.607 -1.392 -5.579 100 1HG GLU 12 HG2 GLU 12 -25.333 -3.709 -4.204 101 2HG GLU 12 HG1 GLU 12 -24.515 -4.154 -5.699 102 H ALA 13 HN ALA 13 -29.385 -3.513 -4.467 103 HA ALA 13 HA ALA 13 -30.381 -3.217 -2.419 104 1HB ALA 13 HB2 ALA 13 -28.127 -4.247 -1.714 105 2HB ALA 13 HB1 ALA 13 -27.664 -2.608 -1.246 106 3HB ALA 13 HB3 ALA 13 -29.051 -3.387 -0.484 107 H HIS 14 HN HIS 14 -30.099 -0.996 -4.193 108 HA HIS 14 HA HIS 14 -29.841 1.354 -2.421 109 1HB HIS 14 HB2 HIS 14 -29.921 1.088 -5.433 110 2HB HIS 14 HB1 HIS 14 -29.910 2.631 -4.586 111 HD1 HIS 14 HD1 HIS 14 -27.636 1.937 -6.482 112 HD2 HIS 14 HD2 HIS 14 -27.504 1.175 -2.422 113 HE1 HIS 14 HE1 HIS 14 -25.208 1.804 -5.930 114 H ASN 15 HN ASN 15 -31.411 3.086 -2.707 115 HA ASN 15 HA ASN 15 -34.135 2.053 -2.634 116 1HB ASN 15 HB2 ASN 15 -33.112 3.767 -1.010 117 2HB ASN 15 HB1 ASN 15 -33.298 4.945 -2.308 118 1HD2 ASN 15 HD22 ASN 15 -36.696 5.431 -1.647 119 2HD2 ASN 15 HD21 ASN 15 -35.203 5.999 -2.341 120 H LYS 16 HN LYS 16 -34.946 1.645 -4.603 121 HA LYS 16 HA LYS 16 -35.793 1.944 -6.705 122 1HB LYS 16 HB2 LYS 16 -35.671 4.882 -5.984 123 2HB LYS 16 HB1 LYS 16 -36.605 4.171 -7.292 124 1HG LYS 16 HG2 LYS 16 -37.951 2.914 -5.692 125 2HG LYS 16 HG1 LYS 16 -36.967 3.503 -4.356 126 1HD LYS 16 HD2 LYS 16 -39.135 4.706 -4.599 127 2HD LYS 16 HD1 LYS 16 -37.730 5.764 -4.706 128 1HE LYS 16 HE2 LYS 16 -39.499 6.236 -6.413 129 2HE LYS 16 HE1 LYS 16 -37.913 5.894 -7.090 130 1HZ LYS 16 HZ3 LYS 16 -39.920 3.751 -6.789 131 2HZ LYS 16 HZ2 LYS 16 -39.939 4.790 -8.142 132 3HZ LYS 16 HZ1 LYS 16 -38.575 3.814 -7.830 133 H LYS 17 HN LYS 17 -33.113 1.482 -6.698 134 HA LYS 17 HA LYS 17 -31.324 1.419 -8.116 135 1HB LYS 17 HB2 LYS 17 -32.848 3.364 -9.872 136 2HB LYS 17 HB1 LYS 17 -31.452 2.408 -10.334 137 1HG LYS 17 HG2 LYS 17 -32.806 0.343 -9.825 138 2HG LYS 17 HG1 LYS 17 -34.206 1.393 -9.633 139 1HD LYS 17 HD2 LYS 17 -34.513 1.513 -11.842 140 2HD LYS 17 HD1 LYS 17 -32.845 2.013 -12.098 141 1HE LYS 17 HE2 LYS 17 -32.134 -0.359 -12.020 142 2HE LYS 17 HE1 LYS 17 -33.814 -0.841 -11.801 143 1HZ LYS 17 HZ2 LYS 17 -32.976 0.765 -14.136 144 2HZ LYS 17 HZ1 LYS 17 -32.845 -0.934 -14.130 145 3HZ LYS 17 HZ3 LYS 17 -34.372 -0.199 -13.946 146 H ALA 18 HN ALA 18 -29.671 2.971 -9.230 147 HA ALA 18 HA ALA 18 -29.428 5.538 -7.804 148 1HB ALA 18 HB3 ALA 18 -27.357 3.323 -7.784 149 2HB ALA 18 HB2 ALA 18 -27.053 4.982 -7.254 150 3HB ALA 18 HB1 ALA 18 -28.223 3.986 -6.394 151 H SER 19 HN SER 19 -28.288 7.084 -8.923 152 HA SER 19 HA SER 19 -26.956 6.368 -11.442 153 1HB SER 19 HB2 SER 19 -29.298 8.270 -11.211 154 2HB SER 19 HB1 SER 19 -28.194 8.259 -12.586 155 HG SER 19 HG SER 19 -29.149 5.765 -11.921 156 H SER 20 HN SER 20 -27.876 9.658 -10.887 157 HA SER 20 HA SER 20 -26.649 11.544 -10.512 158 1HB SER 20 HB2 SER 20 -25.401 9.780 -8.388 159 2HB SER 20 HB1 SER 20 -25.245 11.533 -8.467 160 HG SER 20 HG SER 20 -27.054 10.361 -7.154 161 H ARG 21 HN ARG 21 -23.834 9.981 -9.351 162 HA ARG 21 HA ARG 21 -22.478 9.877 -11.944 163 1HB ARG 21 HB2 ARG 21 -21.721 11.737 -9.684 164 2HB ARG 21 HB1 ARG 21 -20.533 11.181 -10.860 165 1HG ARG 21 HG2 ARG 21 -22.513 12.006 -12.522 166 2HG ARG 21 HG1 ARG 21 -22.736 13.122 -11.181 167 1HD ARG 21 HD2 ARG 21 -20.138 12.645 -12.662 168 2HD ARG 21 HD1 ARG 21 -21.200 14.037 -12.874 169 HE ARG 21 HE ARG 21 -19.384 13.540 -10.634 170 1HH1 ARG 21 HH11 ARG 21 -20.858 14.411 -8.665 171 2HH1 ARG 21 HH12 ARG 21 -21.263 16.100 -8.886 172 1HH2 ARG 21 HH21 ARG 21 -20.466 16.108 -12.334 173 2HH2 ARG 21 HH22 ARG 21 -21.094 17.055 -11.003 174 H SER 22 HN SER 22 -23.401 7.930 -10.022 175 HA SER 22 HA SER 22 -21.226 6.998 -8.401 176 1HB SER 22 HB2 SER 22 -23.721 5.563 -9.338 177 2HB SER 22 HB1 SER 22 -22.626 5.017 -8.071 178 HG SER 22 HG SER 22 -24.127 6.086 -6.928 179 H TRP 23 HN TRP 23 -19.510 6.935 -9.884 180 HA TRP 23 HA TRP 23 -19.370 4.481 -11.527 181 1HB TRP 23 HB2 TRP 23 -18.753 7.310 -12.346 182 2HB TRP 23 HB1 TRP 23 -17.747 6.014 -12.978 183 HD1 TRP 23 HD1 TRP 23 -21.078 7.696 -13.551 184 HE1 TRP 23 HE1 TRP 23 -22.320 6.461 -15.419 185 HE3 TRP 23 HE3 TRP 23 -18.133 3.544 -13.951 186 HZ2 TRP 23 HZ2 TRP 23 -22.107 4.035 -16.886 187 HZ3 TRP 23 HZ3 TRP 23 -18.688 1.808 -15.594 188 HH2 TRP 23 HH2 TRP 23 -20.657 2.051 -17.057 189 H HIS 24 HN HIS 24 -18.081 3.308 -10.215 190 HA HIS 24 HA HIS 24 -15.633 4.551 -9.113 191 1HB HIS 24 HB2 HIS 24 -17.464 3.528 -7.585 192 2HB HIS 24 HB1 HIS 24 -16.875 1.971 -8.156 193 HD1 HIS 24 HD1 HIS 24 -16.366 4.297 -5.496 194 HD2 HIS 24 HD2 HIS 24 -13.918 1.763 -7.663 195 HE1 HIS 24 HE1 HIS 24 -14.286 4.056 -4.112 196 H ASN 25 HN ASN 25 -13.710 3.842 -9.795 197 HA ASN 25 HA ASN 25 -13.550 1.739 -11.816 198 1HB ASN 25 HB2 ASN 25 -12.261 3.957 -11.886 199 2HB ASN 25 HB1 ASN 25 -11.236 3.287 -10.619 200 1HD2 ASN 25 HD22 ASN 25 -9.275 1.518 -12.881 201 2HD2 ASN 25 HD21 ASN 25 -9.469 2.254 -11.323 202 H VAL 26 HN VAL 26 -13.686 -0.260 -11.005 203 HA VAL 26 HA VAL 26 -12.107 -0.958 -8.592 204 HB VAL 26 HB VAL 26 -14.654 -1.063 -8.540 205 1HG1 VAL 26 HG13 VAL 26 -14.860 -2.122 -10.810 206 2HG1 VAL 26 HG12 VAL 26 -14.270 -3.623 -10.091 207 3HG1 VAL 26 HG11 VAL 26 -15.781 -2.911 -9.529 208 1HG2 VAL 26 HG23 VAL 26 -13.047 -2.218 -6.965 209 2HG2 VAL 26 HG22 VAL 26 -14.676 -2.892 -7.065 210 3HG2 VAL 26 HG21 VAL 26 -13.343 -3.690 -7.897 211 H TYR 27 HN TYR 27 -11.146 -3.046 -8.525 212 HA TYR 27 HA TYR 27 -10.147 -3.959 -11.141 213 1HB TYR 27 HB2 TYR 27 -8.666 -3.349 -9.122 214 2HB TYR 27 HB1 TYR 27 -9.190 -4.871 -8.427 215 HD1 TYR 27 HD2 TYR 27 -8.652 -7.011 -9.605 216 HD2 TYR 27 HD1 TYR 27 -7.016 -3.265 -10.815 217 HE1 TYR 27 HE2 TYR 27 -6.882 -8.189 -10.860 218 HE2 TYR 27 HE1 TYR 27 -5.246 -4.432 -12.056 219 HH TYR 27 HH TYR 27 -4.675 -7.812 -11.729 220 H CYS 28 HN CYS 28 -11.412 -5.474 -12.038 221 HA CYS 28 HA CYS 28 -12.931 -7.347 -10.389 222 1HB CYS 28 HB2 CYS 28 -12.870 -7.000 -13.390 223 2HB CYS 28 HB1 CYS 28 -14.010 -7.983 -12.477 224 HG CYS 28 HG CYS 28 -13.942 -4.928 -11.937 225 H VAL 29 HN VAL 29 -12.375 -9.360 -10.005 226 HA VAL 29 HA VAL 29 -10.199 -10.647 -11.564 227 HB VAL 29 HB VAL 29 -10.935 -11.089 -8.655 228 1HG1 VAL 29 HG11 VAL 29 -9.876 -13.021 -9.936 229 2HG1 VAL 29 HG13 VAL 29 -8.435 -12.013 -10.068 230 3HG1 VAL 29 HG12 VAL 29 -9.033 -12.490 -8.482 231 1HG2 VAL 29 HG22 VAL 29 -9.956 -8.871 -8.966 232 2HG2 VAL 29 HG21 VAL 29 -8.852 -9.936 -8.101 233 3HG2 VAL 29 HG23 VAL 29 -8.583 -9.587 -9.811 234 H ILE 30 HN ILE 30 -10.701 -12.610 -12.459 235 HA ILE 30 HA ILE 30 -13.379 -13.728 -11.836 236 HB ILE 30 HB ILE 30 -11.760 -14.277 -14.322 237 1HG1 ILE 30 HG12 ILE 30 -13.786 -12.099 -13.784 238 2HG1 ILE 30 HG11 ILE 30 -12.146 -11.929 -14.404 239 1HG2 ILE 30 HG22 ILE 30 -14.592 -14.811 -13.454 240 2HG2 ILE 30 HG21 ILE 30 -14.154 -14.772 -15.161 241 3HG2 ILE 30 HG23 ILE 30 -13.397 -15.942 -14.084 242 1HD1 ILE 30 HD12 ILE 30 -13.043 -13.437 -16.363 243 2HD1 ILE 30 HD11 ILE 30 -14.615 -12.855 -15.814 244 3HD1 ILE 30 HD13 ILE 30 -13.388 -11.707 -16.345 245 H ASN 31 HN ASN 31 -13.620 -15.859 -11.402 246 HA ASN 31 HA ASN 31 -11.279 -17.644 -11.297 247 1HB ASN 31 HB2 ASN 31 -11.594 -16.484 -9.048 248 2HB ASN 31 HB1 ASN 31 -13.156 -17.286 -8.934 249 1HD2 ASN 31 HD22 ASN 31 -11.802 -20.295 -7.816 250 2HD2 ASN 31 HD21 ASN 31 -13.183 -19.297 -8.093 251 H ASN 32 HN ASN 32 -12.714 -18.082 -13.257 252 HA ASN 32 HA ASN 32 -14.027 -19.555 -14.386 253 1HB ASN 32 HB2 ASN 32 -13.089 -21.186 -12.651 254 2HB ASN 32 HB1 ASN 32 -14.608 -20.995 -11.784 255 1HD2 ASN 32 HD22 ASN 32 -15.553 -23.823 -13.703 256 2HD2 ASN 32 HD21 ASN 32 -14.909 -23.280 -12.179 257 H GLN 33 HN GLN 33 -16.345 -20.603 -12.190 258 HA GLN 33 HA GLN 33 -18.316 -18.733 -13.269 259 1HB GLN 33 HB2 GLN 33 -18.767 -20.995 -11.315 260 2HB GLN 33 HB1 GLN 33 -19.970 -20.171 -12.305 261 1HG GLN 33 HG2 GLN 33 -18.611 -20.993 -14.329 262 2HG GLN 33 HG1 GLN 33 -17.802 -22.069 -13.188 263 1HE2 GLN 33 HE22 GLN 33 -21.368 -23.078 -14.644 264 2HE2 GLN 33 HE21 GLN 33 -20.372 -21.804 -15.276 265 H GLU 34 HN GLU 34 -16.291 -17.736 -11.406 266 HA GLU 34 HA GLU 34 -18.064 -16.379 -9.513 267 1HB GLU 34 HB2 GLU 34 -15.508 -17.768 -8.638 268 2HB GLU 34 HB1 GLU 34 -16.522 -16.747 -7.623 269 1HG GLU 34 HG2 GLU 34 -18.391 -18.362 -7.929 270 2HG GLU 34 HG1 GLU 34 -17.307 -19.405 -8.850 271 H MET 35 HN MET 35 -17.088 -14.416 -8.674 272 HA MET 35 HA MET 35 -14.549 -13.556 -9.768 273 1HB MET 35 HB2 MET 35 -15.376 -11.584 -10.909 274 2HB MET 35 HB1 MET 35 -16.099 -13.022 -11.613 275 1HG MET 35 HG2 MET 35 -18.177 -12.614 -10.477 276 2HG MET 35 HG1 MET 35 -17.478 -11.283 -9.563 277 1HE MET 35 HE1 MET 35 -19.388 -9.788 -10.153 278 2HE MET 35 HE3 MET 35 -19.735 -9.115 -11.747 279 3HE MET 35 HE2 MET 35 -20.258 -10.751 -11.348 280 H GLY 36 HN GLY 36 -13.865 -11.485 -8.884 281 1HA GLY 36 HA2 GLY 36 -15.258 -10.689 -6.407 282 2HA GLY 36 HA1 GLY 36 -13.555 -11.133 -6.352 283 H PHE 37 HN PHE 37 -15.084 -8.578 -5.883 284 HA PHE 37 HA PHE 37 -13.837 -6.768 -7.859 285 1HB PHE 37 HB2 PHE 37 -15.960 -6.295 -5.752 286 2HB PHE 37 HB1 PHE 37 -15.320 -5.061 -6.828 287 HD1 PHE 37 HD1 PHE 37 -15.467 -5.601 -9.386 288 HD2 PHE 37 HD2 PHE 37 -17.873 -7.464 -6.385 289 HE1 PHE 37 HE1 PHE 37 -17.133 -6.209 -11.090 290 HE2 PHE 37 HE2 PHE 37 -19.541 -8.059 -8.095 291 HZ PHE 37 HZ PHE 37 -19.172 -7.431 -10.447 292 H TYR 38 HN TYR 38 -11.784 -6.353 -7.253 293 HA TYR 38 HA TYR 38 -11.207 -5.748 -4.409 294 1HB TYR 38 HB2 TYR 38 -9.418 -6.721 -6.641 295 2HB TYR 38 HB1 TYR 38 -8.833 -6.231 -5.054 296 HD1 TYR 38 HD2 TYR 38 -10.785 -8.738 -6.898 297 HD2 TYR 38 HD1 TYR 38 -9.178 -7.605 -3.115 298 HE1 TYR 38 HE2 TYR 38 -11.261 -10.989 -6.026 299 HE2 TYR 38 HE1 TYR 38 -9.665 -9.853 -2.234 300 HH TYR 38 HH TYR 38 -11.644 -11.832 -3.186 301 H LYS 39 HN LYS 39 -9.225 -4.231 -4.216 302 HA LYS 39 HA LYS 39 -10.010 -1.690 -5.310 303 1HB LYS 39 HB2 LYS 39 -8.942 -2.239 -3.014 304 2HB LYS 39 HB1 LYS 39 -7.412 -2.199 -3.883 305 1HG LYS 39 HG2 LYS 39 -7.758 0.084 -4.540 306 2HG LYS 39 HG1 LYS 39 -9.410 0.064 -3.925 307 1HD LYS 39 HD2 LYS 39 -8.687 -0.007 -1.675 308 2HD LYS 39 HD1 LYS 39 -7.048 -0.461 -2.127 309 1HE LYS 39 HE2 LYS 39 -8.093 2.132 -3.161 310 2HE LYS 39 HE1 LYS 39 -7.709 2.043 -1.445 311 1HZ LYS 39 HZ3 LYS 39 -5.482 1.188 -2.101 312 2HZ LYS 39 HZ2 LYS 39 -5.883 1.536 -3.720 313 3HZ LYS 39 HZ1 LYS 39 -5.794 2.799 -2.577 314 H ASP 40 HN ASP 40 -7.052 -3.656 -5.685 315 HA ASP 40 HA ASP 40 -6.706 -2.766 -8.427 316 1HB ASP 40 HB2 ASP 40 -4.527 -1.782 -8.140 317 2HB ASP 40 HB1 ASP 40 -5.649 -0.942 -7.084 318 H ALA 41 HN ALA 41 -4.182 -3.594 -8.942 319 HA ALA 41 HA ALA 41 -4.413 -6.409 -9.067 320 1HB ALA 41 HB1 ALA 41 -3.120 -5.047 -10.678 321 2HB ALA 41 HB3 ALA 41 -1.915 -4.735 -9.424 322 3HB ALA 41 HB2 ALA 41 -2.173 -6.378 -10.015 323 H LYS 42 HN LYS 42 -2.800 -4.304 -6.770 324 HA LYS 42 HA LYS 42 -1.274 -6.341 -5.434 325 1HB LYS 42 HB2 LYS 42 -2.043 -3.507 -4.735 326 2HB LYS 42 HB1 LYS 42 -1.153 -4.530 -3.618 327 1HG LYS 42 HG2 LYS 42 0.529 -3.360 -4.734 328 2HG LYS 42 HG1 LYS 42 0.485 -4.906 -5.573 329 1HD LYS 42 HD2 LYS 42 0.125 -3.854 -7.514 330 2HD LYS 42 HD1 LYS 42 -1.370 -3.178 -6.879 331 1HE LYS 42 HE2 LYS 42 1.289 -1.921 -6.233 332 2HE LYS 42 HE1 LYS 42 0.461 -1.564 -7.745 333 1HZ LYS 42 HZ2 LYS 42 -1.466 -1.291 -5.807 334 2HZ LYS 42 HZ1 LYS 42 -0.069 -0.580 -5.130 335 3HZ LYS 42 HZ3 LYS 42 -0.658 -0.040 -6.634 336 H SER 43 HN SER 43 -4.333 -4.645 -4.710 337 HA SER 43 HA SER 43 -4.925 -6.063 -2.313 338 1HB SER 43 HB2 SER 43 -6.891 -4.751 -4.185 339 2HB SER 43 HB1 SER 43 -7.097 -5.080 -2.466 340 HG SER 43 HG SER 43 -5.322 -3.226 -3.708 341 H ALA 44 HN ALA 44 -5.526 -6.730 -5.704 342 HA ALA 44 HA ALA 44 -7.386 -8.889 -5.315 343 1HB ALA 44 HB2 ALA 44 -5.706 -8.007 -7.675 344 2HB ALA 44 HB1 ALA 44 -6.798 -9.390 -7.735 345 3HB ALA 44 HB3 ALA 44 -7.439 -7.776 -7.430 346 H ALA 45 HN ALA 45 -3.886 -8.656 -5.899 347 HA ALA 45 HA ALA 45 -3.368 -11.462 -5.980 348 1HB ALA 45 HB3 ALA 45 -1.594 -9.065 -5.501 349 2HB ALA 45 HB2 ALA 45 -0.979 -10.719 -5.586 350 3HB ALA 45 HB1 ALA 45 -1.776 -10.000 -6.988 351 H SER 46 HN SER 46 -3.206 -9.033 -3.408 352 HA SER 46 HA SER 46 -2.201 -10.803 -1.386 353 1HB SER 46 HB2 SER 46 -2.104 -8.213 -1.475 354 2HB SER 46 HB1 SER 46 -3.741 -8.271 -0.830 355 HG SER 46 HG SER 46 -2.215 -9.945 0.607 356 H GLY 47 HN GLY 47 -5.417 -9.745 -2.404 357 1HA GLY 47 HA2 GLY 47 -7.429 -10.914 -2.182 358 2HA GLY 47 HA1 GLY 47 -6.664 -11.999 -1.023 359 H ILE 48 HN ILE 48 -7.311 -8.499 -1.271 360 HA ILE 48 HA ILE 48 -8.048 -8.403 1.578 361 HB ILE 48 HB ILE 48 -7.699 -6.065 -0.302 362 1HG1 ILE 48 HG12 ILE 48 -5.598 -7.533 1.315 363 2HG1 ILE 48 HG11 ILE 48 -5.634 -7.326 -0.432 364 1HG2 ILE 48 HG22 ILE 48 -7.586 -6.360 2.706 365 2HG2 ILE 48 HG21 ILE 48 -7.125 -4.894 1.834 366 3HG2 ILE 48 HG23 ILE 48 -8.787 -5.481 1.760 367 1HD1 ILE 48 HD12 ILE 48 -5.374 -4.889 -0.142 368 2HD1 ILE 48 HD11 ILE 48 -5.295 -5.113 1.609 369 3HD1 ILE 48 HD13 ILE 48 -4.031 -5.781 0.573 370 HA PRO 49 HA PRO 49 -12.348 -8.239 0.304 371 1HB PRO 49 HB2 PRO 49 -13.436 -7.725 2.743 372 2HB PRO 49 HB1 PRO 49 -12.861 -9.321 2.242 373 1HG PRO 49 HG2 PRO 49 -11.566 -7.309 4.012 374 2HG PRO 49 HG1 PRO 49 -11.559 -9.076 4.120 375 1HD PRO 49 HD2 PRO 49 -9.476 -7.558 3.131 376 2HD PRO 49 HD1 PRO 49 -9.755 -9.265 2.733 377 H TYR 50 HN TYR 50 -13.036 -6.525 -0.834 378 HA TYR 50 HA TYR 50 -12.602 -3.793 0.065 379 1HB TYR 50 HB2 TYR 50 -12.387 -4.775 -2.356 380 2HB TYR 50 HB1 TYR 50 -14.127 -4.533 -2.420 381 HD1 TYR 50 HD1 TYR 50 -11.172 -2.601 -1.176 382 HD2 TYR 50 HD2 TYR 50 -14.753 -2.595 -3.502 383 HE1 TYR 50 HE1 TYR 50 -10.815 -0.231 -1.725 384 HE2 TYR 50 HE2 TYR 50 -14.388 -0.221 -4.051 385 HH TYR 50 HH TYR 50 -12.614 1.781 -2.447 386 H HIS 51 HN HIS 51 -14.904 -2.640 -1.176 387 HA HIS 51 HA HIS 51 -17.015 -3.295 0.806 388 1HB HIS 51 HB2 HIS 51 -16.135 -0.692 -0.435 389 2HB HIS 51 HB1 HIS 51 -17.730 -0.867 0.281 390 HD1 HIS 51 HD1 HIS 51 -17.906 -0.621 2.746 391 HD2 HIS 51 HD2 HIS 51 -13.969 -1.028 1.524 392 HE1 HIS 51 HE1 HIS 51 -16.534 -0.156 4.792 393 H SER 52 HN SER 52 -19.226 -2.791 0.120 394 HA SER 52 HA SER 52 -21.049 -3.044 -1.230 395 1HB SER 52 HB2 SER 52 -19.207 -2.140 -3.461 396 2HB SER 52 HB1 SER 52 -20.966 -2.135 -3.485 397 HG SER 52 HG SER 52 -20.933 -0.275 -2.507 398 H GLU 53 HN GLU 53 -20.525 -5.394 -0.694 399 HA GLU 53 HA GLU 53 -20.430 -7.609 -1.235 400 1HB GLU 53 HB2 GLU 53 -22.126 -6.219 -3.089 401 2HB GLU 53 HB1 GLU 53 -21.415 -7.625 -3.881 402 1HG GLU 53 HG2 GLU 53 -23.469 -8.332 -2.867 403 2HG GLU 53 HG1 GLU 53 -22.154 -8.999 -1.899 404 H VAL 54 HN VAL 54 -18.184 -7.875 -1.217 405 HA VAL 54 HA VAL 54 -16.510 -7.356 -3.475 406 HB VAL 54 HB VAL 54 -15.659 -9.369 -1.452 407 1HG1 VAL 54 HG13 VAL 54 -14.250 -8.384 -3.342 408 2HG1 VAL 54 HG12 VAL 54 -14.219 -6.911 -2.371 409 3HG1 VAL 54 HG11 VAL 54 -13.552 -8.408 -1.722 410 1HG2 VAL 54 HG22 VAL 54 -16.365 -6.527 -0.814 411 2HG2 VAL 54 HG21 VAL 54 -16.659 -7.992 0.126 412 3HG2 VAL 54 HG23 VAL 54 -15.033 -7.329 0.013 413 HA PRO 55 HA PRO 55 -16.783 -11.970 -4.536 414 1HB PRO 55 HB2 PRO 55 -18.181 -13.698 -2.975 415 2HB PRO 55 HB1 PRO 55 -16.514 -13.214 -2.649 416 1HG PRO 55 HG2 PRO 55 -18.956 -12.525 -1.204 417 2HG PRO 55 HG1 PRO 55 -17.272 -12.366 -0.693 418 1HD PRO 55 HD2 PRO 55 -19.058 -10.332 -1.738 419 2HD PRO 55 HD1 PRO 55 -17.439 -10.138 -1.049 420 H VAL 56 HN VAL 56 -17.983 -12.636 -6.241 421 HA VAL 56 HA VAL 56 -20.916 -12.679 -6.106 422 HB VAL 56 HB VAL 56 -19.263 -10.975 -7.953 423 1HG1 VAL 56 HG12 VAL 56 -22.029 -12.066 -8.444 424 2HG1 VAL 56 HG11 VAL 56 -21.435 -10.594 -9.209 425 3HG1 VAL 56 HG13 VAL 56 -20.623 -12.127 -9.514 426 1HG2 VAL 56 HG22 VAL 56 -21.528 -10.536 -6.046 427 2HG2 VAL 56 HG21 VAL 56 -19.990 -9.682 -6.166 428 3HG2 VAL 56 HG23 VAL 56 -21.250 -9.403 -7.369 429 H SER 57 HN SER 57 -21.822 -14.242 -7.414 430 HA SER 57 HA SER 57 -20.015 -16.174 -8.646 431 1HB SER 57 HB2 SER 57 -22.889 -16.716 -8.585 432 2HB SER 57 HB1 SER 57 -21.552 -17.700 -8.035 433 HG SER 57 HG SER 57 -22.894 -15.610 -6.657 434 H LEU 58 HN LEU 58 -20.103 -16.717 -10.798 435 HA LEU 58 HA LEU 58 -21.763 -15.016 -12.575 436 1HB LEU 58 HB2 LEU 58 -19.110 -16.389 -13.038 437 2HB LEU 58 HB1 LEU 58 -20.067 -15.676 -14.334 438 HG LEU 58 HG LEU 58 -19.011 -14.217 -11.921 439 1HD1 LEU 58 HD23 LEU 58 -17.247 -14.828 -13.508 440 2HD1 LEU 58 HD22 LEU 58 -18.166 -14.076 -14.817 441 3HD1 LEU 58 HD21 LEU 58 -17.529 -13.085 -13.503 442 1HD2 LEU 58 HD13 LEU 58 -20.852 -13.425 -14.125 443 2HD2 LEU 58 HD12 LEU 58 -20.869 -12.971 -12.419 444 3HD2 LEU 58 HD11 LEU 58 -19.705 -12.232 -13.519 445 H LYS 59 HN LYS 59 -23.130 -16.981 -11.480 446 HA LYS 59 HA LYS 59 -23.141 -19.330 -13.241 447 1HB LYS 59 HB2 LYS 59 -23.599 -19.067 -10.544 448 2HB LYS 59 HB1 LYS 59 -25.242 -19.106 -11.170 449 1HG LYS 59 HG2 LYS 59 -23.141 -21.148 -11.909 450 2HG LYS 59 HG1 LYS 59 -24.243 -21.342 -10.550 451 1HD LYS 59 HD2 LYS 59 -26.061 -20.806 -12.430 452 2HD LYS 59 HD1 LYS 59 -24.799 -21.448 -13.479 453 1HE LYS 59 HE2 LYS 59 -24.724 -23.427 -11.803 454 2HE LYS 59 HE1 LYS 59 -26.285 -22.827 -11.248 455 1HZ LYS 59 HZ2 LYS 59 -26.988 -22.939 -13.645 456 2HZ LYS 59 HZ1 LYS 59 -25.558 -23.829 -13.939 457 3HZ LYS 59 HZ3 LYS 59 -26.737 -24.434 -12.863 458 H GLU 60 HN GLU 60 -23.991 -18.744 -15.153 459 HA GLU 60 HA GLU 60 -25.492 -18.135 -16.753 460 1HB GLU 60 HB2 GLU 60 -27.501 -18.434 -14.502 461 2HB GLU 60 HB1 GLU 60 -27.906 -18.267 -16.207 462 1HG GLU 60 HG2 GLU 60 -26.966 -20.360 -16.762 463 2HG GLU 60 HG1 GLU 60 -26.087 -20.471 -15.237 464 H ALA 61 HN ALA 61 -24.082 -16.076 -16.017 465 HA ALA 61 HA ALA 61 -25.786 -13.843 -15.170 466 1HB ALA 61 HB3 ALA 61 -23.509 -14.049 -14.249 467 2HB ALA 61 HB2 ALA 61 -22.840 -13.923 -15.878 468 3HB ALA 61 HB1 ALA 61 -23.704 -12.553 -15.167 469 H ILE 62 HN ILE 62 -26.825 -12.614 -16.602 470 HA ILE 62 HA ILE 62 -26.370 -12.900 -19.454 471 HB ILE 62 HB ILE 62 -28.260 -11.137 -17.883 472 1HG1 ILE 62 HG12 ILE 62 -28.899 -13.606 -19.505 473 2HG1 ILE 62 HG11 ILE 62 -28.575 -13.656 -17.775 474 1HG2 ILE 62 HG23 ILE 62 -27.767 -11.439 -20.819 475 2HG2 ILE 62 HG22 ILE 62 -29.419 -11.169 -20.254 476 3HG2 ILE 62 HG21 ILE 62 -28.158 -9.997 -19.884 477 1HD1 ILE 62 HD12 ILE 62 -30.719 -11.916 -19.002 478 2HD1 ILE 62 HD11 ILE 62 -31.015 -13.543 -18.382 479 3HD1 ILE 62 HD13 ILE 62 -30.469 -12.265 -17.292 480 H CYS 63 HN CYS 63 -25.339 -11.506 -20.771 481 HA CYS 63 HA CYS 63 -24.320 -8.955 -19.675 482 1HB CYS 63 HB2 CYS 63 -22.723 -11.124 -20.004 483 2HB CYS 63 HB1 CYS 63 -22.590 -10.398 -21.596 484 HG CYS 63 HG CYS 63 -22.091 -8.416 -19.330 485 H GLU 64 HN GLU 64 -24.822 -7.269 -20.925 486 HA GLU 64 HA GLU 64 -25.346 -7.692 -23.814 487 1HB GLU 64 HB2 GLU 64 -26.931 -5.824 -22.026 488 2HB GLU 64 HB1 GLU 64 -27.229 -6.178 -23.724 489 1HG GLU 64 HG2 GLU 64 -27.401 -8.252 -21.515 490 2HG GLU 64 HG1 GLU 64 -28.780 -7.342 -22.117 491 H VAL 65 HN VAL 65 -24.079 -6.462 -25.026 492 HA VAL 65 HA VAL 65 -22.403 -4.428 -23.885 493 HB VAL 65 HB VAL 65 -21.279 -5.609 -25.476 494 1HG1 VAL 65 HG21 VAL 65 -23.826 -5.728 -27.015 495 2HG1 VAL 65 HG23 VAL 65 -22.284 -5.978 -27.836 496 3HG1 VAL 65 HG22 VAL 65 -22.740 -7.031 -26.499 497 1HG2 VAL 65 HG11 VAL 65 -21.124 -3.156 -25.943 498 2HG2 VAL 65 HG13 VAL 65 -20.748 -4.193 -27.319 499 3HG2 VAL 65 HG12 VAL 65 -22.313 -3.388 -27.228 500 H ALA 66 HN ALA 66 -22.679 -2.341 -23.843 501 HA ALA 66 HA ALA 66 -24.917 -1.076 -25.316 502 1HB ALA 66 HB3 ALA 66 -25.192 -1.152 -22.833 503 2HB ALA 66 HB2 ALA 66 -23.709 -0.208 -22.674 504 3HB ALA 66 HB1 ALA 66 -25.116 0.483 -23.482 505 H LEU 67 HN LEU 67 -23.834 -0.378 -27.098 506 HA LEU 67 HA LEU 67 -21.232 0.889 -26.954 507 1HB LEU 67 HB2 LEU 67 -22.773 -0.362 -28.951 508 2HB LEU 67 HB1 LEU 67 -22.673 1.320 -29.448 509 HG LEU 67 HG LEU 67 -20.864 -0.117 -30.352 510 1HD1 LEU 67 HD21 LEU 67 -20.064 2.171 -28.562 511 2HD1 LEU 67 HD23 LEU 67 -18.988 1.423 -29.743 512 3HD1 LEU 67 HD22 LEU 67 -20.462 2.230 -30.279 513 1HD2 LEU 67 HD12 LEU 67 -20.734 -1.292 -27.939 514 2HD2 LEU 67 HD11 LEU 67 -19.408 -1.306 -29.106 515 3HD2 LEU 67 HD13 LEU 67 -19.408 -0.141 -27.781 516 H ASP 68 HN ASP 68 -24.564 1.926 -27.583 517 HA ASP 68 HA ASP 68 -23.772 4.758 -27.519 518 1HB ASP 68 HB2 ASP 68 -25.228 3.862 -29.365 519 2HB ASP 68 HB1 ASP 68 -26.483 3.556 -28.167 520 H TYR 69 HN TYR 69 -23.398 3.912 -25.037 521 HA TYR 69 HA TYR 69 -25.863 4.449 -23.492 522 1HB TYR 69 HB2 TYR 69 -24.608 2.451 -22.795 523 2HB TYR 69 HB1 TYR 69 -23.172 3.436 -22.526 524 HD1 TYR 69 HD1 TYR 69 -26.746 3.117 -21.492 525 HD2 TYR 69 HD2 TYR 69 -22.824 4.427 -20.415 526 HE1 TYR 69 HE1 TYR 69 -27.552 3.685 -19.235 527 HE2 TYR 69 HE2 TYR 69 -23.638 4.984 -18.151 528 HH TYR 69 HH TYR 69 -26.882 4.161 -17.091 529 H LYS 70 HN LYS 70 -26.046 6.664 -23.665 530 HA LYS 70 HA LYS 70 -25.756 8.837 -23.026 531 1HB LYS 70 HB2 LYS 70 -23.224 8.011 -21.580 532 2HB LYS 70 HB1 LYS 70 -24.142 9.493 -21.373 533 1HG LYS 70 HG2 LYS 70 -26.088 8.106 -20.626 534 2HG LYS 70 HG1 LYS 70 -25.041 6.694 -20.681 535 1HD LYS 70 HD2 LYS 70 -24.936 7.361 -18.432 536 2HD LYS 70 HD1 LYS 70 -23.468 8.019 -19.149 537 1HE LYS 70 HE2 LYS 70 -24.638 9.629 -17.653 538 2HE LYS 70 HE1 LYS 70 -24.460 10.216 -19.302 539 1HZ LYS 70 HZ3 LYS 70 -26.923 8.894 -18.312 540 2HZ LYS 70 HZ2 LYS 70 -26.679 10.585 -18.267 541 3HZ LYS 70 HZ1 LYS 70 -26.721 9.769 -19.763 542 H LYS 71 HN LYS 71 -22.626 7.347 -23.763 543 HA LYS 71 HA LYS 71 -22.240 9.194 -26.025 544 1HB LYS 71 HB2 LYS 71 -20.149 8.645 -23.894 545 2HB LYS 71 HB1 LYS 71 -19.874 9.532 -25.390 546 1HG LYS 71 HG2 LYS 71 -21.920 10.979 -24.462 547 2HG LYS 71 HG1 LYS 71 -21.334 10.360 -22.926 548 1HD LYS 71 HD2 LYS 71 -19.741 11.933 -22.912 549 2HD LYS 71 HD1 LYS 71 -19.054 11.238 -24.376 550 1HE LYS 71 HE2 LYS 71 -21.239 13.327 -24.246 551 2HE LYS 71 HE1 LYS 71 -19.564 13.629 -24.681 552 1HZ LYS 71 HZ2 LYS 71 -19.916 12.024 -26.564 553 2HZ LYS 71 HZ1 LYS 71 -21.581 12.074 -26.197 554 3HZ LYS 71 HZ3 LYS 71 -20.779 13.496 -26.676 555 H LYS 72 HN LYS 72 -20.861 8.346 -27.634 556 HA LYS 72 HA LYS 72 -21.013 5.492 -27.926 557 1HB LYS 72 HB2 LYS 72 -19.640 7.598 -29.616 558 2HB LYS 72 HB1 LYS 72 -19.759 5.898 -30.051 559 1HG LYS 72 HG2 LYS 72 -22.232 7.493 -29.399 560 2HG LYS 72 HG1 LYS 72 -21.523 7.540 -31.010 561 1HD LYS 72 HD2 LYS 72 -21.744 4.808 -30.052 562 2HD LYS 72 HD1 LYS 72 -23.306 5.619 -29.996 563 1HE LYS 72 HE2 LYS 72 -21.544 5.743 -32.444 564 2HE LYS 72 HE1 LYS 72 -22.644 4.398 -32.176 565 1HZ LYS 72 HZ2 LYS 72 -24.000 6.838 -31.757 566 2HZ LYS 72 HZ1 LYS 72 -23.236 6.861 -33.282 567 3HZ LYS 72 HZ3 LYS 72 -24.315 5.609 -32.909 568 H LYS 73 HN LYS 73 -19.809 4.526 -26.311 569 HA LYS 73 HA LYS 73 -16.883 4.646 -26.635 570 1HB LYS 73 HB2 LYS 73 -18.443 4.849 -24.050 571 2HB LYS 73 HB1 LYS 73 -16.752 4.354 -24.094 572 1HG LYS 73 HG2 LYS 73 -17.844 6.970 -25.128 573 2HG LYS 73 HG1 LYS 73 -16.926 6.740 -23.643 574 1HD LYS 73 HD2 LYS 73 -15.247 5.592 -25.456 575 2HD LYS 73 HD1 LYS 73 -16.002 6.835 -26.447 576 1HE LYS 73 HE2 LYS 73 -14.057 7.832 -25.510 577 2HE LYS 73 HE1 LYS 73 -15.421 8.487 -24.610 578 1HZ LYS 73 HZ2 LYS 73 -14.531 6.128 -23.354 579 2HZ LYS 73 HZ1 LYS 73 -13.196 7.153 -23.606 580 3HZ LYS 73 HZ3 LYS 73 -14.546 7.724 -22.743 581 H HIS 74 HN HIS 74 -17.342 2.713 -24.053 582 HA HIS 74 HA HIS 74 -18.229 0.304 -25.488 583 1HB HIS 74 HB2 HIS 74 -15.474 0.613 -24.249 584 2HB HIS 74 HB1 HIS 74 -16.171 -0.922 -24.751 585 HD1 HIS 74 HD1 HIS 74 -14.258 1.912 -25.999 586 HD2 HIS 74 HD2 HIS 74 -16.597 -1.073 -27.666 587 HE1 HIS 74 HE1 HIS 74 -13.645 1.880 -28.428 588 H VAL 75 HN VAL 75 -19.984 0.497 -23.941 589 HA VAL 75 HA VAL 75 -19.241 -0.282 -21.174 590 HB VAL 75 HB VAL 75 -21.640 1.261 -22.197 591 1HG1 VAL 75 HG12 VAL 75 -21.091 0.043 -19.510 592 2HG1 VAL 75 HG11 VAL 75 -22.071 1.502 -19.655 593 3HG1 VAL 75 HG13 VAL 75 -22.579 0.020 -20.465 594 1HG2 VAL 75 HG22 VAL 75 -19.367 2.433 -21.866 595 2HG2 VAL 75 HG21 VAL 75 -20.790 3.147 -21.105 596 3HG2 VAL 75 HG23 VAL 75 -19.659 2.197 -20.141 597 H PHE 76 HN PHE 76 -20.610 -1.882 -20.177 598 HA PHE 76 HA PHE 76 -22.516 -3.295 -21.867 599 1HB PHE 76 HB2 PHE 76 -21.520 -5.476 -21.589 600 2HB PHE 76 HB1 PHE 76 -20.404 -4.413 -22.419 601 HD1 PHE 76 HD1 PHE 76 -18.340 -3.663 -21.335 602 HD2 PHE 76 HD2 PHE 76 -21.030 -6.347 -19.381 603 HE1 PHE 76 HE1 PHE 76 -16.603 -4.185 -19.659 604 HE2 PHE 76 HE2 PHE 76 -19.293 -6.874 -17.716 605 HZ PHE 76 HZ PHE 76 -17.026 -5.953 -17.966 606 H LYS 77 HN LYS 77 -24.100 -4.216 -20.755 607 HA LYS 77 HA LYS 77 -24.235 -3.638 -17.888 608 1HB LYS 77 HB2 LYS 77 -26.463 -4.815 -19.536 609 2HB LYS 77 HB1 LYS 77 -26.560 -3.834 -18.076 610 1HG LYS 77 HG2 LYS 77 -25.512 -1.956 -19.464 611 2HG LYS 77 HG1 LYS 77 -25.873 -2.943 -20.879 612 1HD LYS 77 HD2 LYS 77 -28.189 -2.758 -19.133 613 2HD LYS 77 HD1 LYS 77 -27.599 -1.154 -19.562 614 1HE LYS 77 HE2 LYS 77 -27.824 -1.593 -21.896 615 2HE LYS 77 HE1 LYS 77 -28.068 -3.316 -21.620 616 1HZ LYS 77 HZ3 LYS 77 -29.964 -1.504 -20.338 617 2HZ LYS 77 HZ2 LYS 77 -30.047 -1.629 -22.041 618 3HZ LYS 77 HZ1 LYS 77 -30.215 -3.020 -21.073 619 H LEU 78 HN LEU 78 -24.304 -5.124 -16.321 620 HA LEU 78 HA LEU 78 -24.208 -7.984 -17.078 621 1HB LEU 78 HB2 LEU 78 -22.318 -6.394 -15.623 622 2HB LEU 78 HB1 LEU 78 -23.009 -7.566 -14.519 623 HG LEU 78 HG LEU 78 -21.605 -8.082 -17.135 624 1HD1 LEU 78 HD22 LEU 78 -20.944 -8.456 -14.256 625 2HD1 LEU 78 HD21 LEU 78 -20.351 -9.655 -15.404 626 3HD1 LEU 78 HD23 LEU 78 -19.917 -7.958 -15.604 627 1HD2 LEU 78 HD13 LEU 78 -23.603 -9.727 -15.775 628 2HD2 LEU 78 HD12 LEU 78 -22.917 -9.881 -17.395 629 3HD2 LEU 78 HD11 LEU 78 -22.068 -10.562 -16.009 630 H ARG 79 HN ARG 79 -25.999 -8.956 -16.488 631 HA ARG 79 HA ARG 79 -27.454 -8.072 -14.049 632 1HB ARG 79 HB2 ARG 79 -28.696 -7.813 -16.194 633 2HB ARG 79 HB1 ARG 79 -28.493 -9.533 -16.502 634 1HG ARG 79 HG2 ARG 79 -29.819 -10.100 -14.562 635 2HG ARG 79 HG1 ARG 79 -29.918 -8.406 -14.085 636 1HD ARG 79 HD2 ARG 79 -30.909 -9.278 -16.786 637 2HD ARG 79 HD1 ARG 79 -31.920 -9.499 -15.359 638 HE ARG 79 HE ARG 79 -30.830 -6.803 -15.818 639 1HH1 ARG 79 HH11 ARG 79 -33.145 -8.317 -17.607 640 2HH1 ARG 79 HH12 ARG 79 -34.526 -7.421 -17.021 641 1HH2 ARG 79 HH21 ARG 79 -32.736 -5.836 -14.435 642 2HH2 ARG 79 HH22 ARG 79 -34.282 -5.974 -15.237 643 H LEU 80 HN LEU 80 -26.825 -9.377 -12.459 644 HA LEU 80 HA LEU 80 -25.934 -12.100 -12.891 645 1HB LEU 80 HB2 LEU 80 -26.390 -10.585 -10.306 646 2HB LEU 80 HB1 LEU 80 -25.492 -12.090 -10.484 647 HG LEU 80 HG LEU 80 -24.749 -9.485 -11.824 648 1HD1 LEU 80 HD12 LEU 80 -23.631 -10.767 -9.333 649 2HD1 LEU 80 HD11 LEU 80 -22.946 -9.360 -10.153 650 3HD1 LEU 80 HD13 LEU 80 -24.548 -9.264 -9.423 651 1HD2 LEU 80 HD23 LEU 80 -23.791 -12.226 -12.090 652 2HD2 LEU 80 HD22 LEU 80 -23.483 -10.814 -13.100 653 3HD2 LEU 80 HD21 LEU 80 -22.505 -11.095 -11.661 654 H SER 81 HN SER 81 -26.790 -13.938 -11.760 655 HA SER 81 HA SER 81 -29.572 -14.342 -12.067 656 1HB SER 81 HB2 SER 81 -28.787 -16.423 -10.481 657 2HB SER 81 HB1 SER 81 -28.573 -16.360 -12.228 658 HG SER 81 HG SER 81 -26.513 -16.537 -11.811 659 H ASP 82 HN ASP 82 -27.596 -13.361 -9.382 660 HA ASP 82 HA ASP 82 -29.312 -13.841 -7.198 661 1HB ASP 82 HB2 ASP 82 -27.081 -13.318 -6.653 662 2HB ASP 82 HB1 ASP 82 -27.039 -11.924 -7.725 663 H GLY 83 HN GLY 83 -28.903 -10.995 -9.272 664 1HA GLY 83 HA2 GLY 83 -31.252 -10.050 -9.863 665 2HA GLY 83 HA1 GLY 83 -31.299 -9.713 -8.132 666 H ASN 84 HN ASN 84 -28.409 -9.177 -7.974 667 HA ASN 84 HA ASN 84 -28.372 -6.405 -8.246 668 1HB ASN 84 HB2 ASN 84 -26.266 -8.496 -7.888 669 2HB ASN 84 HB1 ASN 84 -25.750 -6.862 -8.300 670 1HD2 ASN 84 HD22 ASN 84 -25.783 -6.214 -4.856 671 2HD2 ASN 84 HD21 ASN 84 -24.841 -6.410 -6.306 672 H GLU 85 HN GLU 85 -27.880 -4.989 -9.781 673 HA GLU 85 HA GLU 85 -27.005 -5.942 -12.461 674 1HB GLU 85 HB2 GLU 85 -29.265 -4.157 -11.612 675 2HB GLU 85 HB1 GLU 85 -28.483 -3.868 -13.170 676 1HG GLU 85 HG2 GLU 85 -28.875 -6.318 -13.689 677 2HG GLU 85 HG1 GLU 85 -29.882 -6.379 -12.244 678 H TYR 86 HN TYR 86 -25.344 -4.832 -13.360 679 HA TYR 86 HA TYR 86 -24.692 -2.107 -12.451 680 1HB TYR 86 HB2 TYR 86 -22.433 -4.057 -12.788 681 2HB TYR 86 HB1 TYR 86 -22.445 -2.507 -11.971 682 HD1 TYR 86 HD2 TYR 86 -23.624 -6.010 -11.691 683 HD2 TYR 86 HD1 TYR 86 -22.719 -2.375 -9.645 684 HE1 TYR 86 HE2 TYR 86 -23.942 -7.146 -9.533 685 HE2 TYR 86 HE1 TYR 86 -23.051 -3.516 -7.493 686 HH TYR 86 HH TYR 86 -24.647 -6.293 -7.096 687 H LEU 87 HN LEU 87 -23.256 -0.980 -13.901 688 HA LEU 87 HA LEU 87 -23.194 -2.071 -16.666 689 1HB LEU 87 HB2 LEU 87 -22.902 0.851 -15.957 690 2HB LEU 87 HB1 LEU 87 -23.208 0.138 -17.532 691 HG LEU 87 HG LEU 87 -25.100 0.451 -15.226 692 1HD1 LEU 87 HD13 LEU 87 -24.754 2.298 -16.889 693 2HD1 LEU 87 HD12 LEU 87 -25.389 1.214 -18.128 694 3HD1 LEU 87 HD11 LEU 87 -26.414 1.705 -16.774 695 1HD2 LEU 87 HD23 LEU 87 -25.148 -1.590 -17.348 696 2HD2 LEU 87 HD22 LEU 87 -25.968 -1.560 -15.787 697 3HD2 LEU 87 HD21 LEU 87 -26.641 -0.677 -17.153 698 H PHE 88 HN PHE 88 -21.196 -2.493 -17.429 699 HA PHE 88 HA PHE 88 -18.882 -1.518 -15.871 700 1HB PHE 88 HB2 PHE 88 -19.365 -4.001 -17.473 701 2HB PHE 88 HB1 PHE 88 -17.734 -3.476 -17.074 702 HD1 PHE 88 HD1 PHE 88 -17.076 -3.244 -14.671 703 HD2 PHE 88 HD2 PHE 88 -20.734 -5.065 -15.874 704 HE1 PHE 88 HE1 PHE 88 -17.256 -4.312 -12.471 705 HE2 PHE 88 HE2 PHE 88 -20.924 -6.141 -13.665 706 HZ PHE 88 HZ PHE 88 -19.188 -5.772 -11.965 707 H GLN 89 HN GLN 89 -17.564 -0.117 -16.775 708 HA GLN 89 HA GLN 89 -17.724 0.390 -19.684 709 1HB GLN 89 HB2 GLN 89 -18.096 2.258 -17.971 710 2HB GLN 89 HB1 GLN 89 -16.374 2.139 -17.630 711 1HG GLN 89 HG2 GLN 89 -15.776 2.789 -19.826 712 2HG GLN 89 HG1 GLN 89 -17.409 2.520 -20.433 713 1HE2 GLN 89 HE22 GLN 89 -17.943 5.964 -20.135 714 2HE2 GLN 89 HE21 GLN 89 -17.825 4.570 -21.161 715 H ALA 90 HN ALA 90 -16.173 -0.441 -20.899 716 HA ALA 90 HA ALA 90 -13.640 -1.351 -19.707 717 1HB ALA 90 HB1 ALA 90 -14.850 -1.803 -22.451 718 2HB ALA 90 HB3 ALA 90 -13.323 -2.486 -21.892 719 3HB ALA 90 HB2 ALA 90 -14.833 -2.951 -21.109 720 H LYS 91 HN LYS 91 -11.630 -0.946 -20.944 721 HA LYS 91 HA LYS 91 -11.399 1.880 -21.603 722 1HB LYS 91 HB2 LYS 91 -9.399 -0.364 -21.345 723 2HB LYS 91 HB1 LYS 91 -8.944 1.230 -21.931 724 1HG LYS 91 HG2 LYS 91 -8.622 1.761 -19.772 725 2HG LYS 91 HG1 LYS 91 -10.373 1.838 -19.671 726 1HD LYS 91 HD2 LYS 91 -9.801 0.438 -17.888 727 2HD LYS 91 HD1 LYS 91 -10.290 -0.677 -19.154 728 1HE LYS 91 HE2 LYS 91 -7.759 -0.476 -17.784 729 2HE LYS 91 HE1 LYS 91 -8.355 -1.749 -18.833 730 1HZ LYS 91 HZ2 LYS 91 -7.023 0.747 -19.728 731 2HZ LYS 91 HZ1 LYS 91 -6.312 -0.797 -19.661 732 3HZ LYS 91 HZ3 LYS 91 -7.594 -0.501 -20.745 733 H ASP 92 HN ASP 92 -10.933 -1.214 -23.285 734 HA ASP 92 HA ASP 92 -11.018 0.253 -25.872 735 1HB ASP 92 HB2 ASP 92 -8.846 -1.088 -24.956 736 2HB ASP 92 HB1 ASP 92 -9.666 -2.389 -25.816 737 H ASP 93 HN ASP 93 -11.525 -1.247 -27.723 738 HA ASP 93 HA ASP 93 -14.153 -2.347 -27.420 739 1HB ASP 93 HB2 ASP 93 -13.259 -1.250 -29.497 740 2HB ASP 93 HB1 ASP 93 -12.246 -2.662 -29.760 741 H GLU 94 HN GLU 94 -10.965 -3.793 -28.064 742 HA GLU 94 HA GLU 94 -11.710 -6.507 -28.200 743 1HB GLU 94 HB2 GLU 94 -9.503 -5.566 -28.851 744 2HB GLU 94 HB1 GLU 94 -9.131 -5.310 -27.150 745 1HG GLU 94 HG2 GLU 94 -9.606 -7.870 -26.917 746 2HG GLU 94 HG1 GLU 94 -9.391 -7.895 -28.664 747 H GLU 95 HN GLU 95 -10.738 -4.488 -25.478 748 HA GLU 95 HA GLU 95 -10.705 -6.393 -23.425 749 1HB GLU 95 HB2 GLU 95 -10.083 -3.792 -23.585 750 2HB GLU 95 HB1 GLU 95 -11.664 -3.636 -22.828 751 1HG GLU 95 HG2 GLU 95 -10.951 -5.162 -21.036 752 2HG GLU 95 HG1 GLU 95 -9.368 -5.314 -21.798 753 H MET 96 HN MET 96 -13.342 -4.251 -24.506 754 HA MET 96 HA MET 96 -15.342 -5.006 -22.704 755 1HB MET 96 HB2 MET 96 -15.485 -3.081 -24.239 756 2HB MET 96 HB1 MET 96 -15.656 -4.182 -25.597 757 1HG MET 96 HG2 MET 96 -17.587 -4.713 -23.465 758 2HG MET 96 HG1 MET 96 -17.722 -3.083 -24.108 759 1HE MET 96 HE1 MET 96 -18.352 -2.449 -26.473 760 2HE MET 96 HE3 MET 96 -16.992 -3.324 -27.194 761 3HE MET 96 HE2 MET 96 -18.630 -3.568 -27.805 762 H ASN 97 HN ASN 97 -14.603 -6.378 -25.922 763 HA ASN 97 HA ASN 97 -16.647 -8.354 -25.893 764 1HB ASN 97 HB2 ASN 97 -15.403 -7.527 -27.933 765 2HB ASN 97 HB1 ASN 97 -14.034 -8.507 -27.417 766 1HD2 ASN 97 HD22 ASN 97 -17.472 -10.374 -28.719 767 2HD2 ASN 97 HD21 ASN 97 -17.530 -8.759 -28.067 768 H THR 98 HN THR 98 -13.246 -8.408 -24.871 769 HA THR 98 HA THR 98 -13.059 -11.178 -24.305 770 HB THR 98 HB THR 98 -11.548 -8.936 -22.948 771 HG1 THR 98 HG1 THR 98 -11.301 -8.703 -25.160 772 1HG2 THR 98 HG22 THR 98 -10.903 -11.857 -23.388 773 2HG2 THR 98 HG21 THR 98 -9.752 -10.663 -22.793 774 3HG2 THR 98 HG23 THR 98 -11.186 -11.053 -21.843 775 H TRP 99 HN TRP 99 -14.062 -8.413 -22.298 776 HA TRP 99 HA TRP 99 -14.366 -9.870 -19.860 777 1HB TRP 99 HB2 TRP 99 -15.398 -7.218 -20.853 778 2HB TRP 99 HB1 TRP 99 -15.961 -7.881 -19.326 779 HD1 TRP 99 HD1 TRP 99 -13.332 -5.673 -20.637 780 HE1 TRP 99 HE1 TRP 99 -11.479 -5.363 -18.919 781 HE3 TRP 99 HE3 TRP 99 -14.487 -9.456 -17.354 782 HZ2 TRP 99 HZ2 TRP 99 -10.582 -6.499 -16.530 783 HZ3 TRP 99 HZ3 TRP 99 -13.072 -9.765 -15.359 784 HH2 TRP 99 HH2 TRP 99 -11.140 -8.305 -14.948 785 H ILE 100 HN ILE 100 -16.748 -8.823 -22.330 786 HA ILE 100 HA ILE 100 -19.029 -9.988 -21.166 787 HB ILE 100 HB ILE 100 -18.340 -9.413 -24.052 788 1HG1 ILE 100 HG12 ILE 100 -20.261 -8.032 -22.169 789 2HG1 ILE 100 HG11 ILE 100 -18.612 -7.497 -22.466 790 1HG2 ILE 100 HG21 ILE 100 -20.807 -10.654 -22.886 791 2HG2 ILE 100 HG23 ILE 100 -20.955 -9.554 -24.257 792 3HG2 ILE 100 HG22 ILE 100 -19.975 -11.016 -24.398 793 1HD1 ILE 100 HD13 ILE 100 -19.230 -7.392 -24.934 794 2HD1 ILE 100 HD12 ILE 100 -20.911 -7.605 -24.431 795 3HD1 ILE 100 HD11 ILE 100 -19.994 -6.193 -23.892 796 H GLN 101 HN GLN 101 -16.775 -11.355 -23.577 797 HA GLN 101 HA GLN 101 -18.072 -13.856 -23.859 798 1HB GLN 101 HB2 GLN 101 -15.258 -12.932 -24.412 799 2HB GLN 101 HB1 GLN 101 -15.762 -14.595 -24.685 800 1HG GLN 101 HG2 GLN 101 -17.770 -13.173 -25.931 801 2HG GLN 101 HG1 GLN 101 -16.353 -12.179 -26.255 802 1HE2 GLN 101 HE22 GLN 101 -14.688 -14.695 -28.177 803 2HE2 GLN 101 HE21 GLN 101 -14.408 -13.392 -27.064 804 H ALA 102 HN ALA 102 -15.411 -12.833 -21.726 805 HA ALA 102 HA ALA 102 -14.819 -15.347 -20.601 806 1HB ALA 102 HB1 ALA 102 -14.539 -12.556 -19.468 807 2HB ALA 102 HB3 ALA 102 -13.893 -13.999 -18.683 808 3HB ALA 102 HB2 ALA 102 -13.295 -13.520 -20.270 809 H ILE 103 HN ILE 103 -17.141 -12.858 -19.628 810 HA ILE 103 HA ILE 103 -18.052 -14.252 -17.283 811 HB ILE 103 HB ILE 103 -19.255 -11.967 -18.858 812 1HG1 ILE 103 HG12 ILE 103 -17.952 -11.701 -16.168 813 2HG1 ILE 103 HG11 ILE 103 -16.937 -11.780 -17.604 814 1HG2 ILE 103 HG22 ILE 103 -20.189 -13.429 -16.459 815 2HG2 ILE 103 HG21 ILE 103 -20.264 -11.672 -16.380 816 3HG2 ILE 103 HG23 ILE 103 -21.107 -12.530 -17.671 817 1HD1 ILE 103 HD12 ILE 103 -18.995 -9.946 -18.209 818 2HD1 ILE 103 HD11 ILE 103 -18.444 -9.560 -16.578 819 3HD1 ILE 103 HD13 ILE 103 -17.293 -9.599 -17.911 820 H SER 104 HN SER 104 -19.240 -13.922 -20.631 821 HA SER 104 HA SER 104 -21.688 -15.317 -20.282 822 1HB SER 104 HB2 SER 104 -20.016 -14.908 -22.769 823 2HB SER 104 HB1 SER 104 -21.683 -15.477 -22.743 824 HG SER 104 HG SER 104 -20.680 -12.940 -21.936 825 H SER 105 HN SER 105 -18.418 -16.427 -21.025 826 HA SER 105 HA SER 105 -19.199 -19.123 -21.705 827 1HB SER 105 HB2 SER 105 -16.458 -18.077 -20.961 828 2HB SER 105 HB1 SER 105 -16.822 -19.581 -21.806 829 HG SER 105 HG SER 105 -16.847 -16.945 -22.745 830 H ALA 106 HN ALA 106 -19.160 -17.545 -18.760 831 HA ALA 106 HA ALA 106 -18.160 -19.769 -17.145 832 1HB ALA 106 HB1 ALA 106 -19.449 -17.144 -16.347 833 2HB ALA 106 HB3 ALA 106 -18.717 -18.307 -15.245 834 3HB ALA 106 HB2 ALA 106 -17.715 -17.464 -16.425 No H/Q in entry = 834 Start of MODEL 23 1 1H MET 1 HT2 MET 1 -9.773 -11.235 -17.655 2 2H MET 1 HT1 MET 1 -8.169 -11.791 -17.821 3 3H MET 1 HT3 MET 1 -9.457 -12.718 -18.436 4 HA MET 1 HA MET 1 -10.199 -13.357 -16.367 5 1HB MET 1 HB2 MET 1 -7.178 -13.222 -16.272 6 2HB MET 1 HB1 MET 1 -8.154 -14.144 -15.135 7 1HG MET 1 HG2 MET 1 -9.045 -15.496 -16.948 8 2HG MET 1 HG1 MET 1 -8.170 -14.536 -18.134 9 1HE MET 1 HE3 MET 1 -7.561 -16.843 -19.035 10 2HE MET 1 HE2 MET 1 -6.234 -17.832 -18.421 11 3HE MET 1 HE1 MET 1 -7.840 -17.982 -17.708 12 H GLU 2 HN GLU 2 -7.590 -10.972 -15.798 13 HA GLU 2 HA GLU 2 -9.200 -9.782 -13.618 14 1HB GLU 2 HB2 GLU 2 -6.221 -9.882 -13.321 15 2HB GLU 2 HB1 GLU 2 -7.470 -9.799 -12.092 16 1HG GLU 2 HG2 GLU 2 -6.827 -11.959 -11.755 17 2HG GLU 2 HG1 GLU 2 -8.020 -12.254 -13.011 18 H GLY 3 HN GLY 3 -8.987 -7.539 -13.403 19 1HA GLY 3 HA2 GLY 3 -7.053 -5.849 -14.376 20 2HA GLY 3 HA1 GLY 3 -8.132 -6.103 -15.748 21 H PHE 4 HN PHE 4 -7.845 -3.595 -14.813 22 HA PHE 4 HA PHE 4 -9.808 -2.868 -12.830 23 1HB PHE 4 HB2 PHE 4 -7.963 -1.419 -14.650 24 2HB PHE 4 HB1 PHE 4 -9.376 -0.542 -14.094 25 HD1 PHE 4 HD1 PHE 4 -9.839 -0.808 -11.470 26 HD2 PHE 4 HD2 PHE 4 -6.048 -1.244 -13.388 27 HE1 PHE 4 HE1 PHE 4 -8.696 -0.349 -9.332 28 HE2 PHE 4 HE2 PHE 4 -4.913 -0.775 -11.261 29 HZ PHE 4 HZ PHE 4 -6.285 -0.254 -9.221 30 H LEU 5 HN LEU 5 -11.770 -1.909 -13.132 31 HA LEU 5 HA LEU 5 -12.914 -1.598 -15.801 32 1HB LEU 5 HB2 LEU 5 -13.564 -3.831 -13.962 33 2HB LEU 5 HB1 LEU 5 -14.951 -2.976 -14.613 34 HG LEU 5 HG LEU 5 -12.745 -4.240 -16.227 35 1HD1 LEU 5 HD11 LEU 5 -15.421 -5.144 -15.318 36 2HD1 LEU 5 HD13 LEU 5 -14.919 -5.591 -16.948 37 3HD1 LEU 5 HD12 LEU 5 -13.936 -6.064 -15.561 38 1HD2 LEU 5 HD21 LEU 5 -15.040 -2.493 -16.974 39 2HD2 LEU 5 HD23 LEU 5 -13.426 -2.609 -17.686 40 3HD2 LEU 5 HD22 LEU 5 -14.637 -3.838 -18.044 41 H ASN 6 HN ASN 6 -14.638 -0.194 -15.821 42 HA ASN 6 HA ASN 6 -15.051 1.429 -13.423 43 1HB ASN 6 HB2 ASN 6 -15.164 1.932 -16.212 44 2HB ASN 6 HB1 ASN 6 -16.808 2.115 -15.619 45 1HD2 ASN 6 HD22 ASN 6 -14.316 5.109 -15.098 46 2HD2 ASN 6 HD21 ASN 6 -14.184 3.851 -16.287 47 H ARG 7 HN ARG 7 -16.659 0.994 -12.019 48 HA ARG 7 HA ARG 7 -18.798 -0.875 -12.886 49 1HB ARG 7 HB2 ARG 7 -17.169 -1.795 -11.275 50 2HB ARG 7 HB1 ARG 7 -17.575 -0.516 -10.139 51 1HG ARG 7 HG2 ARG 7 -19.976 -1.871 -11.020 52 2HG ARG 7 HG1 ARG 7 -18.808 -3.040 -10.418 53 1HD ARG 7 HD2 ARG 7 -19.457 -0.534 -8.872 54 2HD ARG 7 HD1 ARG 7 -20.439 -1.991 -8.717 55 HE ARG 7 HE ARG 7 -18.036 -3.020 -8.234 56 1HH1 ARG 7 HH21 ARG 7 -17.663 0.188 -7.733 57 2HH1 ARG 7 HH22 ARG 7 -17.516 0.152 -6.002 58 1HH2 ARG 7 HH11 ARG 7 -18.666 -3.174 -5.708 59 2HH2 ARG 7 HH12 ARG 7 -18.121 -1.752 -4.842 60 H LYS 8 HN LYS 8 -20.850 -0.361 -12.586 61 HA LYS 8 HA LYS 8 -21.726 1.734 -10.736 62 1HB LYS 8 HB2 LYS 8 -21.215 2.912 -12.869 63 2HB LYS 8 HB1 LYS 8 -22.330 1.849 -13.706 64 1HG LYS 8 HG2 LYS 8 -23.825 2.868 -11.575 65 2HG LYS 8 HG1 LYS 8 -22.853 4.235 -12.104 66 1HD LYS 8 HD2 LYS 8 -24.190 4.556 -13.859 67 2HD LYS 8 HD1 LYS 8 -23.891 2.917 -14.426 68 1HE LYS 8 HE2 LYS 8 -25.794 2.056 -13.391 69 2HE LYS 8 HE1 LYS 8 -25.840 3.343 -12.191 70 1HZ LYS 8 HZ3 LYS 8 -26.321 3.954 -15.032 71 2HZ LYS 8 HZ2 LYS 8 -27.569 3.336 -14.052 72 3HZ LYS 8 HZ1 LYS 8 -26.809 4.811 -13.647 73 H HIS 9 HN HIS 9 -23.633 1.045 -9.815 74 HA HIS 9 HA HIS 9 -24.874 -1.357 -10.936 75 1HB HIS 9 HB2 HIS 9 -26.004 -1.646 -8.861 76 2HB HIS 9 HB1 HIS 9 -24.329 -1.262 -8.510 77 HD1 HIS 9 HD1 HIS 9 -26.553 -0.927 -6.425 78 HD2 HIS 9 HD2 HIS 9 -25.174 2.156 -8.822 79 HE1 HIS 9 HE1 HIS 9 -27.139 1.166 -5.193 80 H GLU 10 HN GLU 10 -26.853 -1.457 -11.848 81 HA GLU 10 HA GLU 10 -28.322 1.089 -12.235 82 1HB GLU 10 HB2 GLU 10 -27.318 0.168 -14.281 83 2HB GLU 10 HB1 GLU 10 -28.155 -1.354 -14.020 84 1HG GLU 10 HG2 GLU 10 -29.482 -0.278 -15.616 85 2HG GLU 10 HG1 GLU 10 -30.331 0.057 -14.112 86 H TRP 11 HN TRP 11 -28.688 -2.359 -11.496 87 HA TRP 11 HA TRP 11 -31.390 -1.763 -10.469 88 1HB TRP 11 HB2 TRP 11 -31.497 -2.778 -12.775 89 2HB TRP 11 HB1 TRP 11 -30.728 -4.215 -12.119 90 HD1 TRP 11 HD1 TRP 11 -33.850 -2.077 -11.093 91 HE1 TRP 11 HE1 TRP 11 -35.729 -3.709 -10.524 92 HE3 TRP 11 HE3 TRP 11 -31.450 -6.524 -11.899 93 HZ2 TRP 11 HZ2 TRP 11 -36.173 -6.471 -10.417 94 HZ3 TRP 11 HZ3 TRP 11 -32.663 -8.628 -11.542 95 HH2 TRP 11 HH2 TRP 11 -35.005 -8.608 -10.804 96 H GLU 12 HN GLU 12 -31.928 -2.779 -8.645 97 HA GLU 12 HA GLU 12 -30.954 -5.181 -7.644 98 1HB GLU 12 HB2 GLU 12 -29.532 -4.458 -5.772 99 2HB GLU 12 HB1 GLU 12 -28.792 -4.149 -7.333 100 1HG GLU 12 HG2 GLU 12 -29.125 -1.820 -7.167 101 2HG GLU 12 HG1 GLU 12 -30.318 -1.994 -5.880 102 H ALA 13 HN ALA 13 -32.516 -2.128 -7.174 103 HA ALA 13 HA ALA 13 -33.712 -2.852 -4.621 104 1HB ALA 13 HB2 ALA 13 -33.031 -0.491 -5.284 105 2HB ALA 13 HB1 ALA 13 -34.445 -0.483 -6.337 106 3HB ALA 13 HB3 ALA 13 -34.645 -0.676 -4.596 107 H HIS 14 HN HIS 14 -34.268 -4.416 -7.135 108 HA HIS 14 HA HIS 14 -35.959 -5.566 -8.129 109 1HB HIS 14 HB2 HIS 14 -37.286 -4.749 -5.552 110 2HB HIS 14 HB1 HIS 14 -38.133 -5.705 -6.759 111 HD1 HIS 14 HD1 HIS 14 -38.214 -7.943 -5.710 112 HD2 HIS 14 HD2 HIS 14 -34.403 -6.333 -5.546 113 HE1 HIS 14 HE1 HIS 14 -36.766 -9.784 -4.817 114 H ASN 15 HN ASN 15 -38.114 -3.156 -6.699 115 HA ASN 15 HA ASN 15 -39.515 -2.750 -9.165 116 1HB ASN 15 HB2 ASN 15 -40.681 -2.640 -7.037 117 2HB ASN 15 HB1 ASN 15 -39.657 -1.312 -6.503 118 1HD2 ASN 15 HD22 ASN 15 -42.681 -0.621 -9.182 119 2HD2 ASN 15 HD21 ASN 15 -42.053 -2.225 -8.949 120 H LYS 16 HN LYS 16 -37.381 -0.663 -7.225 121 HA LYS 16 HA LYS 16 -37.291 1.343 -9.369 122 1HB LYS 16 HB2 LYS 16 -36.309 1.337 -6.508 123 2HB LYS 16 HB1 LYS 16 -36.005 2.659 -7.631 124 1HG LYS 16 HG2 LYS 16 -37.967 3.520 -6.973 125 2HG LYS 16 HG1 LYS 16 -38.743 2.214 -7.865 126 1HD LYS 16 HD2 LYS 16 -38.846 0.842 -5.873 127 2HD LYS 16 HD1 LYS 16 -37.885 2.008 -4.969 128 1HE LYS 16 HE2 LYS 16 -40.406 2.041 -4.560 129 2HE LYS 16 HE1 LYS 16 -39.648 3.587 -4.921 130 1HZ LYS 16 HZ3 LYS 16 -41.019 1.907 -6.946 131 2HZ LYS 16 HZ2 LYS 16 -41.747 3.208 -6.112 132 3HZ LYS 16 HZ1 LYS 16 -40.427 3.488 -7.156 133 H LYS 17 HN LYS 17 -35.212 2.310 -9.922 134 HA LYS 17 HA LYS 17 -33.188 0.268 -10.481 135 1HB LYS 17 HB2 LYS 17 -32.195 1.928 -11.942 136 2HB LYS 17 HB1 LYS 17 -33.917 1.811 -12.263 137 1HG LYS 17 HG2 LYS 17 -34.359 3.870 -11.141 138 2HG LYS 17 HG1 LYS 17 -32.734 3.939 -10.468 139 1HD LYS 17 HD2 LYS 17 -33.134 3.854 -13.444 140 2HD LYS 17 HD1 LYS 17 -33.337 5.372 -12.578 141 1HE LYS 17 HE2 LYS 17 -31.111 5.622 -12.224 142 2HE LYS 17 HE1 LYS 17 -30.881 3.913 -11.871 143 1HZ LYS 17 HZ1 LYS 17 -31.491 4.245 -14.606 144 2HZ LYS 17 HZ3 LYS 17 -30.196 5.263 -14.184 145 3HZ LYS 17 HZ2 LYS 17 -30.092 3.588 -13.885 146 H ALA 18 HN ALA 18 -30.829 1.321 -10.362 147 HA ALA 18 HA ALA 18 -30.475 2.235 -7.564 148 1HB ALA 18 HB2 ALA 18 -29.582 -0.077 -8.646 149 2HB ALA 18 HB1 ALA 18 -28.206 0.974 -8.978 150 3HB ALA 18 HB3 ALA 18 -28.774 0.765 -7.325 151 H SER 19 HN SER 19 -29.002 3.842 -7.100 152 HA SER 19 HA SER 19 -27.386 5.127 -9.132 153 1HB SER 19 HB2 SER 19 -29.781 6.593 -7.986 154 2HB SER 19 HB1 SER 19 -28.491 7.346 -8.919 155 HG SER 19 HG SER 19 -29.477 5.177 -10.221 156 H SER 20 HN SER 20 -26.944 3.873 -6.561 157 HA SER 20 HA SER 20 -26.134 6.135 -4.833 158 1HB SER 20 HB2 SER 20 -26.260 3.189 -4.144 159 2HB SER 20 HB1 SER 20 -25.974 4.526 -3.030 160 HG SER 20 HG SER 20 -28.360 3.997 -4.515 161 H ARG 21 HN ARG 21 -24.928 3.091 -6.219 162 HA ARG 21 HA ARG 21 -22.173 3.694 -5.533 163 1HB ARG 21 HB2 ARG 21 -23.470 1.347 -5.821 164 2HB ARG 21 HB1 ARG 21 -22.812 1.502 -7.443 165 1HG ARG 21 HG2 ARG 21 -20.893 0.668 -6.653 166 2HG ARG 21 HG1 ARG 21 -20.674 2.166 -5.756 167 1HD ARG 21 HD2 ARG 21 -22.113 -0.306 -4.739 168 2HD ARG 21 HD1 ARG 21 -20.477 0.188 -4.294 169 HE ARG 21 HE ARG 21 -21.903 2.388 -3.622 170 1HH1 ARG 21 HH11 ARG 21 -23.999 -0.134 -3.478 171 2HH1 ARG 21 HH12 ARG 21 -24.116 -0.237 -1.738 172 1HH2 ARG 21 HH21 ARG 21 -21.294 1.780 -1.157 173 2HH2 ARG 21 HH22 ARG 21 -22.564 0.836 -0.417 174 H SER 22 HN SER 22 -21.551 5.476 -6.611 175 HA SER 22 HA SER 22 -22.164 6.074 -9.337 176 1HB SER 22 HB2 SER 22 -19.939 7.209 -7.624 177 2HB SER 22 HB1 SER 22 -20.662 7.950 -9.049 178 HG SER 22 HG SER 22 -21.817 8.900 -7.496 179 H TRP 23 HN TRP 23 -20.395 6.548 -10.936 180 HA TRP 23 HA TRP 23 -19.110 4.181 -11.746 181 1HB TRP 23 HB2 TRP 23 -18.893 7.065 -12.576 182 2HB TRP 23 HB1 TRP 23 -17.773 5.883 -13.238 183 HD1 TRP 23 HD1 TRP 23 -21.093 7.350 -13.938 184 HE1 TRP 23 HE1 TRP 23 -22.337 5.946 -15.680 185 HE3 TRP 23 HE3 TRP 23 -18.193 3.144 -13.897 186 HZ2 TRP 23 HZ2 TRP 23 -22.146 3.397 -16.877 187 HZ3 TRP 23 HZ3 TRP 23 -18.768 1.269 -15.357 188 HH2 TRP 23 HH2 TRP 23 -20.728 1.379 -16.843 189 H HIS 24 HN HIS 24 -17.564 3.201 -10.586 190 HA HIS 24 HA HIS 24 -15.234 4.781 -9.656 191 1HB HIS 24 HB2 HIS 24 -16.791 3.978 -7.813 192 2HB HIS 24 HB1 HIS 24 -16.359 2.334 -8.271 193 HD1 HIS 24 HD1 HIS 24 -15.103 5.280 -6.436 194 HD2 HIS 24 HD2 HIS 24 -13.658 1.619 -7.698 195 HE1 HIS 24 HE1 HIS 24 -12.963 4.963 -5.169 196 H ASN 25 HN ASN 25 -13.261 3.952 -10.108 197 HA ASN 25 HA ASN 25 -13.084 1.789 -12.041 198 1HB ASN 25 HB2 ASN 25 -11.743 3.997 -12.041 199 2HB ASN 25 HB1 ASN 25 -10.759 3.263 -10.782 200 1HD2 ASN 25 HD22 ASN 25 -8.772 2.222 -13.520 201 2HD2 ASN 25 HD21 ASN 25 -8.963 3.385 -12.242 202 H VAL 26 HN VAL 26 -13.744 0.009 -10.792 203 HA VAL 26 HA VAL 26 -12.069 -0.786 -8.504 204 HB VAL 26 HB VAL 26 -14.553 -0.736 -8.282 205 1HG1 VAL 26 HG12 VAL 26 -14.963 -1.601 -10.642 206 2HG1 VAL 26 HG11 VAL 26 -14.627 -3.208 -9.994 207 3HG1 VAL 26 HG13 VAL 26 -15.975 -2.264 -9.359 208 1HG2 VAL 26 HG23 VAL 26 -13.069 -2.164 -6.879 209 2HG2 VAL 26 HG22 VAL 26 -14.727 -2.751 -7.027 210 3HG2 VAL 26 HG21 VAL 26 -13.435 -3.513 -7.957 211 H TYR 27 HN TYR 27 -11.108 -2.833 -8.407 212 HA TYR 27 HA TYR 27 -10.266 -3.916 -10.996 213 1HB TYR 27 HB2 TYR 27 -8.734 -3.282 -9.023 214 2HB TYR 27 HB1 TYR 27 -9.280 -4.774 -8.282 215 HD1 TYR 27 HD2 TYR 27 -8.749 -6.945 -9.337 216 HD2 TYR 27 HD1 TYR 27 -7.189 -3.269 -10.841 217 HE1 TYR 27 HE2 TYR 27 -7.074 -8.191 -10.636 218 HE2 TYR 27 HE1 TYR 27 -5.515 -4.515 -12.145 219 HH TYR 27 HH TYR 27 -4.665 -7.617 -11.618 220 H CYS 28 HN CYS 28 -11.359 -5.573 -11.841 221 HA CYS 28 HA CYS 28 -12.910 -7.366 -10.075 222 1HB CYS 28 HB2 CYS 28 -13.122 -6.939 -13.059 223 2HB CYS 28 HB1 CYS 28 -14.195 -7.919 -12.067 224 HG CYS 28 HG CYS 28 -14.011 -4.825 -11.695 225 H VAL 29 HN VAL 29 -12.513 -9.490 -9.966 226 HA VAL 29 HA VAL 29 -10.525 -10.718 -11.792 227 HB VAL 29 HB VAL 29 -10.704 -11.066 -8.788 228 1HG1 VAL 29 HG12 VAL 29 -9.081 -12.496 -10.880 229 2HG1 VAL 29 HG11 VAL 29 -8.578 -12.431 -9.191 230 3HG1 VAL 29 HG13 VAL 29 -10.112 -13.186 -9.624 231 1HG2 VAL 29 HG23 VAL 29 -9.020 -9.399 -10.537 232 2HG2 VAL 29 HG22 VAL 29 -9.431 -9.204 -8.834 233 3HG2 VAL 29 HG21 VAL 29 -8.149 -10.317 -9.308 234 H ILE 30 HN ILE 30 -11.448 -12.396 -12.814 235 HA ILE 30 HA ILE 30 -13.908 -13.599 -11.742 236 HB ILE 30 HB ILE 30 -12.581 -14.119 -14.408 237 1HG1 ILE 30 HG12 ILE 30 -14.689 -12.063 -13.693 238 2HG1 ILE 30 HG11 ILE 30 -13.050 -11.729 -14.252 239 1HG2 ILE 30 HG21 ILE 30 -15.368 -14.616 -13.351 240 2HG2 ILE 30 HG23 ILE 30 -14.921 -14.751 -15.052 241 3HG2 ILE 30 HG22 ILE 30 -14.178 -15.816 -13.859 242 1HD1 ILE 30 HD13 ILE 30 -13.565 -12.814 -16.400 243 2HD1 ILE 30 HD12 ILE 30 -15.213 -13.124 -15.847 244 3HD1 ILE 30 HD11 ILE 30 -14.654 -11.465 -16.077 245 H ASN 31 HN ASN 31 -14.045 -15.650 -11.029 246 HA ASN 31 HA ASN 31 -11.772 -17.507 -11.348 247 1HB ASN 31 HB2 ASN 31 -11.656 -16.265 -9.123 248 2HB ASN 31 HB1 ASN 31 -13.162 -17.070 -8.689 249 1HD2 ASN 31 HD22 ASN 31 -11.483 -19.930 -7.607 250 2HD2 ASN 31 HD21 ASN 31 -12.856 -18.858 -7.506 251 H ASN 32 HN ASN 32 -13.406 -18.191 -12.976 252 HA ASN 32 HA ASN 32 -14.779 -19.855 -13.712 253 1HB ASN 32 HB2 ASN 32 -13.822 -21.063 -11.585 254 2HB ASN 32 HB1 ASN 32 -15.421 -20.768 -10.910 255 1HD2 ASN 32 HD22 ASN 32 -15.005 -23.293 -14.125 256 2HD2 ASN 32 HD21 ASN 32 -13.812 -22.073 -13.792 257 H GLN 33 HN GLN 33 -17.081 -20.471 -11.474 258 HA GLN 33 HA GLN 33 -18.971 -18.608 -12.690 259 1HB GLN 33 HB2 GLN 33 -19.386 -20.760 -10.601 260 2HB GLN 33 HB1 GLN 33 -20.664 -19.859 -11.405 261 1HG GLN 33 HG2 GLN 33 -18.688 -21.278 -13.142 262 2HG GLN 33 HG1 GLN 33 -19.848 -22.264 -12.260 263 1HE2 GLN 33 HE22 GLN 33 -20.988 -20.380 -15.593 264 2HE2 GLN 33 HE21 GLN 33 -19.336 -20.562 -15.071 265 H GLU 34 HN GLU 34 -16.922 -17.403 -11.025 266 HA GLU 34 HA GLU 34 -18.609 -15.846 -9.261 267 1HB GLU 34 HB2 GLU 34 -17.798 -17.858 -7.916 268 2HB GLU 34 HB1 GLU 34 -16.175 -17.193 -8.086 269 1HG GLU 34 HG2 GLU 34 -16.979 -15.085 -7.027 270 2HG GLU 34 HG1 GLU 34 -18.549 -15.841 -6.789 271 H MET 35 HN MET 35 -17.623 -13.904 -8.599 272 HA MET 35 HA MET 35 -14.993 -13.224 -9.696 273 1HB MET 35 HB2 MET 35 -15.876 -11.104 -10.632 274 2HB MET 35 HB1 MET 35 -16.513 -12.519 -11.459 275 1HG MET 35 HG2 MET 35 -18.585 -12.353 -10.145 276 2HG MET 35 HG1 MET 35 -17.953 -10.927 -9.331 277 1HE MET 35 HE2 MET 35 -18.092 -8.757 -9.976 278 2HE MET 35 HE1 MET 35 -18.863 -8.092 -11.412 279 3HE MET 35 HE3 MET 35 -19.828 -8.947 -10.201 280 H GLY 36 HN GLY 36 -14.012 -11.491 -8.594 281 1HA GLY 36 HA2 GLY 36 -15.344 -10.654 -6.074 282 2HA GLY 36 HA1 GLY 36 -13.659 -11.157 -6.130 283 H PHE 37 HN PHE 37 -15.083 -8.565 -5.461 284 HA PHE 37 HA PHE 37 -13.905 -6.694 -7.406 285 1HB PHE 37 HB2 PHE 37 -15.782 -6.315 -5.063 286 2HB PHE 37 HB1 PHE 37 -15.093 -4.980 -5.973 287 HD1 PHE 37 HD1 PHE 37 -15.603 -4.774 -8.429 288 HD2 PHE 37 HD2 PHE 37 -17.691 -7.486 -5.867 289 HE1 PHE 37 HE1 PHE 37 -17.440 -4.917 -10.064 290 HE2 PHE 37 HE2 PHE 37 -19.517 -7.621 -7.502 291 HZ PHE 37 HZ PHE 37 -19.398 -6.337 -9.600 292 H TYR 38 HN TYR 38 -11.841 -6.166 -7.050 293 HA TYR 38 HA TYR 38 -10.848 -5.903 -4.262 294 1HB TYR 38 HB2 TYR 38 -9.342 -6.536 -6.816 295 2HB TYR 38 HB1 TYR 38 -8.587 -6.259 -5.252 296 HD1 TYR 38 HD2 TYR 38 -10.864 -8.512 -7.113 297 HD2 TYR 38 HD1 TYR 38 -8.445 -7.976 -3.641 298 HE1 TYR 38 HE2 TYR 38 -11.099 -10.903 -6.573 299 HE2 TYR 38 HE1 TYR 38 -8.679 -10.366 -3.104 300 HH TYR 38 HH TYR 38 -9.430 -12.620 -5.098 301 H LYS 39 HN LYS 39 -8.837 -4.325 -4.276 302 HA LYS 39 HA LYS 39 -9.864 -1.767 -5.181 303 1HB LYS 39 HB2 LYS 39 -8.560 -2.421 -2.943 304 2HB LYS 39 HB1 LYS 39 -7.166 -1.988 -3.926 305 1HG LYS 39 HG2 LYS 39 -7.609 0.203 -3.767 306 2HG LYS 39 HG1 LYS 39 -9.299 -0.028 -4.193 307 1HD LYS 39 HD2 LYS 39 -9.407 0.851 -2.030 308 2HD LYS 39 HD1 LYS 39 -9.572 -0.880 -1.754 309 1HE LYS 39 HE2 LYS 39 -7.056 -0.927 -1.387 310 2HE LYS 39 HE1 LYS 39 -7.120 0.832 -1.364 311 1HZ LYS 39 HZ3 LYS 39 -8.693 0.715 0.473 312 2HZ LYS 39 HZ2 LYS 39 -8.581 -0.988 0.469 313 3HZ LYS 39 HZ1 LYS 39 -7.215 -0.044 0.861 314 H ASP 40 HN ASP 40 -6.917 -3.685 -5.764 315 HA ASP 40 HA ASP 40 -6.718 -2.716 -8.478 316 1HB ASP 40 HB2 ASP 40 -4.648 -1.601 -8.350 317 2HB ASP 40 HB1 ASP 40 -5.584 -0.945 -7.014 318 H ALA 41 HN ALA 41 -4.176 -3.468 -9.112 319 HA ALA 41 HA ALA 41 -4.357 -6.282 -9.350 320 1HB ALA 41 HB2 ALA 41 -3.176 -4.834 -10.969 321 2HB ALA 41 HB1 ALA 41 -1.937 -4.505 -9.753 322 3HB ALA 41 HB3 ALA 41 -2.149 -6.141 -10.381 323 H LYS 42 HN LYS 42 -2.421 -4.213 -7.194 324 HA LYS 42 HA LYS 42 -0.912 -6.301 -5.978 325 1HB LYS 42 HB2 LYS 42 -1.664 -3.559 -4.931 326 2HB LYS 42 HB1 LYS 42 -0.493 -4.634 -4.176 327 1HG LYS 42 HG2 LYS 42 0.692 -4.639 -6.465 328 2HG LYS 42 HG1 LYS 42 -0.312 -3.242 -6.841 329 1HD LYS 42 HD2 LYS 42 0.577 -2.265 -4.616 330 2HD LYS 42 HD1 LYS 42 1.823 -3.508 -4.735 331 1HE LYS 42 HE2 LYS 42 2.368 -2.634 -7.030 332 2HE LYS 42 HE1 LYS 42 1.226 -1.327 -6.744 333 1HZ LYS 42 HZ3 LYS 42 2.879 -1.319 -4.548 334 2HZ LYS 42 HZ2 LYS 42 3.920 -1.583 -5.879 335 3HZ LYS 42 HZ1 LYS 42 2.891 -0.220 -5.842 336 H SER 43 HN SER 43 -3.972 -4.709 -5.117 337 HA SER 43 HA SER 43 -4.453 -6.077 -2.679 338 1HB SER 43 HB2 SER 43 -6.483 -4.952 -4.609 339 2HB SER 43 HB1 SER 43 -6.746 -5.315 -2.906 340 HG SER 43 HG SER 43 -5.058 -3.316 -4.038 341 H ALA 44 HN ALA 44 -5.273 -6.841 -6.033 342 HA ALA 44 HA ALA 44 -6.895 -9.129 -5.490 343 1HB ALA 44 HB2 ALA 44 -5.421 -8.242 -7.974 344 2HB ALA 44 HB1 ALA 44 -6.494 -9.638 -7.915 345 3HB ALA 44 HB3 ALA 44 -7.133 -8.021 -7.605 346 H ALA 45 HN ALA 45 -3.453 -8.704 -6.232 347 HA ALA 45 HA ALA 45 -2.820 -11.486 -6.380 348 1HB ALA 45 HB3 ALA 45 -1.433 -9.761 -7.438 349 2HB ALA 45 HB2 ALA 45 -1.025 -9.105 -5.851 350 3HB ALA 45 HB1 ALA 45 -0.487 -10.724 -6.307 351 H SER 46 HN SER 46 -2.456 -9.049 -3.796 352 HA SER 46 HA SER 46 -1.318 -10.866 -1.894 353 1HB SER 46 HB2 SER 46 -2.648 -8.180 -1.488 354 2HB SER 46 HB1 SER 46 -1.685 -9.039 -0.289 355 HG SER 46 HG SER 46 -0.707 -7.339 -1.892 356 H GLY 47 HN GLY 47 -4.614 -9.825 -2.618 357 1HA GLY 47 HA2 GLY 47 -6.521 -11.182 -2.201 358 2HA GLY 47 HA1 GLY 47 -5.675 -11.949 -0.863 359 H ILE 48 HN ILE 48 -6.106 -8.505 -1.607 360 HA ILE 48 HA ILE 48 -7.320 -8.080 1.052 361 HB ILE 48 HB ILE 48 -6.316 -5.877 -0.733 362 1HG1 ILE 48 HG12 ILE 48 -4.616 -7.566 1.126 363 2HG1 ILE 48 HG11 ILE 48 -4.455 -7.467 -0.623 364 1HG2 ILE 48 HG23 ILE 48 -6.583 -6.225 2.258 365 2HG2 ILE 48 HG22 ILE 48 -5.877 -4.811 1.473 366 3HG2 ILE 48 HG21 ILE 48 -7.576 -5.209 1.212 367 1HD1 ILE 48 HD12 ILE 48 -4.079 -5.152 1.280 368 2HD1 ILE 48 HD11 ILE 48 -2.780 -6.078 0.533 369 3HD1 ILE 48 HD13 ILE 48 -3.860 -5.108 -0.470 370 HA PRO 49 HA PRO 49 -11.026 -7.668 -1.511 371 1HB PRO 49 HB2 PRO 49 -12.808 -7.637 0.540 372 2HB PRO 49 HB1 PRO 49 -12.095 -9.112 -0.126 373 1HG PRO 49 HG2 PRO 49 -11.389 -7.611 2.353 374 2HG PRO 49 HG1 PRO 49 -11.442 -9.359 2.071 375 1HD PRO 49 HD2 PRO 49 -9.132 -7.881 2.104 376 2HD PRO 49 HD1 PRO 49 -9.318 -9.402 1.205 377 H TYR 50 HN TYR 50 -12.607 -6.093 -1.884 378 HA TYR 50 HA TYR 50 -11.866 -3.382 -1.131 379 1HB TYR 50 HB2 TYR 50 -12.463 -4.187 -3.467 380 2HB TYR 50 HB1 TYR 50 -14.122 -4.327 -2.924 381 HD1 TYR 50 HD1 TYR 50 -11.362 -1.795 -2.802 382 HD2 TYR 50 HD2 TYR 50 -15.498 -2.572 -3.516 383 HE1 TYR 50 HE1 TYR 50 -11.716 0.573 -3.342 384 HE2 TYR 50 HE2 TYR 50 -15.845 -0.196 -4.067 385 HH TYR 50 HH TYR 50 -14.592 2.063 -3.425 386 H HIS 51 HN HIS 51 -15.128 -3.292 -1.666 387 HA HIS 51 HA HIS 51 -16.154 -4.068 0.881 388 1HB HIS 51 HB2 HIS 51 -16.764 -1.890 1.766 389 2HB HIS 51 HB1 HIS 51 -15.021 -2.042 1.635 390 HD1 HIS 51 HD1 HIS 51 -17.656 0.233 0.921 391 HD2 HIS 51 HD2 HIS 51 -14.073 -0.734 -0.889 392 HE1 HIS 51 HE1 HIS 51 -17.147 2.183 -0.569 393 H SER 52 HN SER 52 -18.470 -3.423 1.145 394 HA SER 52 HA SER 52 -20.624 -3.367 0.385 395 1HB SER 52 HB2 SER 52 -19.720 -1.952 -2.120 396 2HB SER 52 HB1 SER 52 -21.236 -1.791 -1.241 397 HG SER 52 HG SER 52 -19.315 -1.144 0.458 398 H GLU 53 HN GLU 53 -20.346 -5.689 0.158 399 HA GLU 53 HA GLU 53 -20.637 -7.679 -0.892 400 1HB GLU 53 HB2 GLU 53 -22.465 -6.051 -1.890 401 2HB GLU 53 HB1 GLU 53 -21.579 -6.334 -3.385 402 1HG GLU 53 HG2 GLU 53 -23.317 -7.977 -3.286 403 2HG GLU 53 HG1 GLU 53 -21.802 -8.809 -2.944 404 H VAL 54 HN VAL 54 -18.313 -7.863 -0.881 405 HA VAL 54 HA VAL 54 -16.787 -7.244 -3.244 406 HB VAL 54 HB VAL 54 -16.057 -8.940 -0.855 407 1HG1 VAL 54 HG12 VAL 54 -14.619 -8.236 -3.307 408 2HG1 VAL 54 HG11 VAL 54 -13.740 -7.854 -1.827 409 3HG1 VAL 54 HG13 VAL 54 -14.290 -9.503 -2.120 410 1HG2 VAL 54 HG21 VAL 54 -15.843 -6.001 -1.422 411 2HG2 VAL 54 HG23 VAL 54 -16.508 -6.808 -0.002 412 3HG2 VAL 54 HG22 VAL 54 -14.767 -6.799 -0.273 413 HA PRO 55 HA PRO 55 -17.091 -11.893 -4.191 414 1HB PRO 55 HB2 PRO 55 -18.536 -13.559 -2.601 415 2HB PRO 55 HB1 PRO 55 -16.866 -13.095 -2.261 416 1HG PRO 55 HG2 PRO 55 -19.321 -12.323 -0.868 417 2HG PRO 55 HG1 PRO 55 -17.641 -12.202 -0.329 418 1HD PRO 55 HD2 PRO 55 -19.346 -10.130 -1.442 419 2HD PRO 55 HD1 PRO 55 -17.729 -9.982 -0.735 420 H VAL 56 HN VAL 56 -18.296 -12.076 -6.019 421 HA VAL 56 HA VAL 56 -21.248 -12.207 -5.805 422 HB VAL 56 HB VAL 56 -19.586 -10.564 -7.721 423 1HG1 VAL 56 HG13 VAL 56 -22.392 -11.595 -8.020 424 2HG1 VAL 56 HG12 VAL 56 -21.930 -10.040 -8.719 425 3HG1 VAL 56 HG11 VAL 56 -21.099 -11.512 -9.220 426 1HG2 VAL 56 HG22 VAL 56 -21.687 -9.973 -5.657 427 2HG2 VAL 56 HG21 VAL 56 -20.088 -9.250 -5.863 428 3HG2 VAL 56 HG23 VAL 56 -21.389 -8.855 -6.992 429 H SER 57 HN SER 57 -22.098 -13.912 -6.826 430 HA SER 57 HA SER 57 -20.396 -15.787 -8.207 431 1HB SER 57 HB2 SER 57 -23.298 -16.248 -7.975 432 2HB SER 57 HB1 SER 57 -21.955 -17.324 -7.652 433 HG SER 57 HG SER 57 -21.581 -16.028 -5.702 434 H LEU 58 HN LEU 58 -20.561 -16.367 -10.350 435 HA LEU 58 HA LEU 58 -22.147 -14.592 -12.111 436 1HB LEU 58 HB2 LEU 58 -19.662 -16.248 -12.556 437 2HB LEU 58 HB1 LEU 58 -20.632 -15.680 -13.910 438 HG LEU 58 HG LEU 58 -19.473 -13.885 -11.786 439 1HD1 LEU 58 HD22 LEU 58 -17.841 -15.133 -13.378 440 2HD1 LEU 58 HD21 LEU 58 -18.466 -14.036 -14.615 441 3HD1 LEU 58 HD23 LEU 58 -17.665 -13.390 -13.177 442 1HD2 LEU 58 HD13 LEU 58 -21.111 -13.429 -14.237 443 2HD2 LEU 58 HD12 LEU 58 -21.198 -12.643 -12.661 444 3HD2 LEU 58 HD11 LEU 58 -19.907 -12.222 -13.787 445 H LYS 59 HN LYS 59 -23.777 -16.245 -10.936 446 HA LYS 59 HA LYS 59 -24.121 -18.671 -12.570 447 1HB LYS 59 HB2 LYS 59 -24.483 -18.197 -9.858 448 2HB LYS 59 HB1 LYS 59 -26.129 -18.186 -10.488 449 1HG LYS 59 HG2 LYS 59 -25.761 -20.360 -11.532 450 2HG LYS 59 HG1 LYS 59 -24.091 -20.372 -10.975 451 1HD LYS 59 HD2 LYS 59 -26.375 -20.107 -9.033 452 2HD LYS 59 HD1 LYS 59 -25.854 -21.688 -9.610 453 1HE LYS 59 HE2 LYS 59 -24.201 -21.697 -8.107 454 2HE LYS 59 HE1 LYS 59 -23.521 -20.248 -8.843 455 1HZ LYS 59 HZ2 LYS 59 -25.005 -18.912 -7.454 456 2HZ LYS 59 HZ1 LYS 59 -25.586 -20.334 -6.708 457 3HZ LYS 59 HZ3 LYS 59 -23.952 -19.879 -6.525 458 H GLU 60 HN GLU 60 -25.391 -18.588 -14.300 459 HA GLU 60 HA GLU 60 -26.981 -17.956 -15.832 460 1HB GLU 60 HB2 GLU 60 -28.487 -16.831 -13.455 461 2HB GLU 60 HB1 GLU 60 -29.159 -17.241 -15.028 462 1HG GLU 60 HG2 GLU 60 -28.859 -19.577 -14.657 463 2HG GLU 60 HG1 GLU 60 -27.833 -19.297 -13.250 464 H ALA 61 HN ALA 61 -24.799 -16.321 -15.529 465 HA ALA 61 HA ALA 61 -25.588 -13.533 -15.325 466 1HB ALA 61 HB3 ALA 61 -22.984 -14.940 -15.916 467 2HB ALA 61 HB2 ALA 61 -23.140 -13.185 -16.007 468 3HB ALA 61 HB1 ALA 61 -23.432 -14.021 -14.478 469 H ILE 62 HN ILE 62 -26.290 -12.318 -16.905 470 HA ILE 62 HA ILE 62 -25.844 -13.098 -19.731 471 HB ILE 62 HB ILE 62 -27.969 -11.167 -18.864 472 1HG1 ILE 62 HG12 ILE 62 -28.159 -14.173 -18.694 473 2HG1 ILE 62 HG11 ILE 62 -28.454 -13.005 -17.415 474 1HG2 ILE 62 HG21 ILE 62 -27.197 -11.791 -21.290 475 2HG2 ILE 62 HG23 ILE 62 -28.212 -13.214 -21.029 476 3HG2 ILE 62 HG22 ILE 62 -28.913 -11.595 -20.923 477 1HD1 ILE 62 HD12 ILE 62 -30.123 -12.871 -19.898 478 2HD1 ILE 62 HD11 ILE 62 -30.475 -14.095 -18.675 479 3HD1 ILE 62 HD13 ILE 62 -30.516 -12.384 -18.248 480 H CYS 63 HN CYS 63 -24.778 -11.680 -20.999 481 HA CYS 63 HA CYS 63 -24.097 -9.015 -19.872 482 1HB CYS 63 HB2 CYS 63 -22.387 -11.172 -20.728 483 2HB CYS 63 HB1 CYS 63 -22.118 -9.766 -21.735 484 HG CYS 63 HG CYS 63 -21.979 -8.650 -19.093 485 H GLU 64 HN GLU 64 -25.013 -7.431 -20.976 486 HA GLU 64 HA GLU 64 -25.572 -7.747 -23.877 487 1HB GLU 64 HB2 GLU 64 -26.860 -5.819 -21.926 488 2HB GLU 64 HB1 GLU 64 -27.329 -6.110 -23.599 489 1HG GLU 64 HG2 GLU 64 -27.937 -8.425 -23.033 490 2HG GLU 64 HG1 GLU 64 -27.465 -8.145 -21.357 491 H VAL 65 HN VAL 65 -24.922 -6.125 -25.298 492 HA VAL 65 HA VAL 65 -22.697 -4.471 -24.402 493 HB VAL 65 HB VAL 65 -23.911 -4.665 -27.162 494 1HG1 VAL 65 HG12 VAL 65 -21.232 -3.732 -26.125 495 2HG1 VAL 65 HG11 VAL 65 -21.546 -4.085 -27.825 496 3HG1 VAL 65 HG13 VAL 65 -22.432 -2.792 -27.011 497 1HG2 VAL 65 HG21 VAL 65 -22.048 -6.495 -25.701 498 2HG2 VAL 65 HG23 VAL 65 -23.353 -6.879 -26.824 499 3HG2 VAL 65 HG22 VAL 65 -21.826 -6.241 -27.432 500 H ALA 66 HN ALA 66 -22.701 -2.329 -24.108 501 HA ALA 66 HA ALA 66 -25.045 -0.693 -24.887 502 1HB ALA 66 HB2 ALA 66 -23.641 -0.771 -22.204 503 2HB ALA 66 HB1 ALA 66 -24.720 0.529 -22.700 504 3HB ALA 66 HB3 ALA 66 -25.338 -1.113 -22.531 505 H LEU 67 HN LEU 67 -23.668 -0.149 -26.685 506 HA LEU 67 HA LEU 67 -21.157 1.228 -26.205 507 1HB LEU 67 HB2 LEU 67 -22.276 -0.153 -28.357 508 2HB LEU 67 HB1 LEU 67 -22.252 1.509 -28.891 509 HG LEU 67 HG LEU 67 -20.223 0.510 -29.583 510 1HD1 LEU 67 HD23 LEU 67 -20.175 2.823 -28.493 511 2HD1 LEU 67 HD22 LEU 67 -19.407 2.024 -27.121 512 3HD1 LEU 67 HD21 LEU 67 -18.639 1.989 -28.708 513 1HD2 LEU 67 HD12 LEU 67 -20.323 -1.375 -27.997 514 2HD2 LEU 67 HD11 LEU 67 -18.720 -0.652 -28.112 515 3HD2 LEU 67 HD13 LEU 67 -19.744 -0.303 -26.723 516 H ASP 68 HN ASP 68 -24.462 2.100 -27.109 517 HA ASP 68 HA ASP 68 -23.754 4.953 -27.171 518 1HB ASP 68 HB2 ASP 68 -26.002 5.288 -28.129 519 2HB ASP 68 HB1 ASP 68 -25.037 4.159 -29.066 520 H TYR 69 HN TYR 69 -23.507 4.080 -24.650 521 HA TYR 69 HA TYR 69 -25.972 4.886 -23.208 522 1HB TYR 69 HB2 TYR 69 -25.039 2.685 -22.580 523 2HB TYR 69 HB1 TYR 69 -23.501 3.441 -22.202 524 HD1 TYR 69 HD1 TYR 69 -27.123 3.681 -21.307 525 HD2 TYR 69 HD2 TYR 69 -23.075 4.039 -19.995 526 HE1 TYR 69 HE1 TYR 69 -27.901 4.072 -19.006 527 HE2 TYR 69 HE2 TYR 69 -23.863 4.439 -17.693 528 HH TYR 69 HH TYR 69 -26.567 3.653 -16.505 529 H LYS 70 HN LYS 70 -25.394 7.109 -23.956 530 HA LYS 70 HA LYS 70 -24.621 9.229 -23.590 531 1HB LYS 70 HB2 LYS 70 -23.831 8.122 -20.878 532 2HB LYS 70 HB1 LYS 70 -23.893 9.826 -21.316 533 1HG LYS 70 HG2 LYS 70 -26.370 9.229 -22.021 534 2HG LYS 70 HG1 LYS 70 -26.138 7.890 -20.901 535 1HD LYS 70 HD2 LYS 70 -26.320 9.232 -19.103 536 2HD LYS 70 HD1 LYS 70 -25.220 10.427 -19.777 537 1HE LYS 70 HE2 LYS 70 -28.106 10.159 -20.640 538 2HE LYS 70 HE1 LYS 70 -27.589 11.224 -19.336 539 1HZ LYS 70 HZ1 LYS 70 -25.919 12.018 -21.208 540 2HZ LYS 70 HZ3 LYS 70 -27.176 11.472 -22.218 541 3HZ LYS 70 HZ2 LYS 70 -27.486 12.674 -21.043 542 H LYS 71 HN LYS 71 -23.085 8.811 -25.257 543 HA LYS 71 HA LYS 71 -21.016 9.250 -26.148 544 1HB LYS 71 HB2 LYS 71 -19.811 8.910 -23.390 545 2HB LYS 71 HB1 LYS 71 -19.027 9.551 -24.821 546 1HG LYS 71 HG2 LYS 71 -20.677 11.414 -24.849 547 2HG LYS 71 HG1 LYS 71 -21.329 10.820 -23.328 548 1HD LYS 71 HD2 LYS 71 -19.838 12.251 -22.397 549 2HD LYS 71 HD1 LYS 71 -18.682 10.963 -22.715 550 1HE LYS 71 HE2 LYS 71 -18.043 12.010 -24.827 551 2HE LYS 71 HE1 LYS 71 -19.268 13.254 -24.604 552 1HZ LYS 71 HZ3 LYS 71 -17.427 13.011 -22.398 553 2HZ LYS 71 HZ2 LYS 71 -16.692 13.477 -23.868 554 3HZ LYS 71 HZ1 LYS 71 -17.981 14.394 -23.218 555 H LYS 72 HN LYS 72 -19.322 7.947 -26.952 556 HA LYS 72 HA LYS 72 -19.852 5.099 -26.720 557 1HB LYS 72 HB2 LYS 72 -17.844 6.582 -28.436 558 2HB LYS 72 HB1 LYS 72 -18.275 4.879 -28.578 559 1HG LYS 72 HG2 LYS 72 -20.475 5.382 -29.311 560 2HG LYS 72 HG1 LYS 72 -20.339 7.068 -28.821 561 1HD LYS 72 HD2 LYS 72 -20.018 7.264 -31.100 562 2HD LYS 72 HD1 LYS 72 -18.352 7.103 -30.548 563 1HE LYS 72 HE2 LYS 72 -18.567 4.611 -30.964 564 2HE LYS 72 HE1 LYS 72 -20.109 4.954 -31.741 565 1HZ LYS 72 HZ3 LYS 72 -17.806 6.493 -32.649 566 2HZ LYS 72 HZ2 LYS 72 -17.843 4.840 -33.067 567 3HZ LYS 72 HZ1 LYS 72 -19.127 5.871 -33.531 568 H LYS 73 HN LYS 73 -19.146 5.294 -24.370 569 HA LYS 73 HA LYS 73 -16.234 5.251 -23.989 570 1HB LYS 73 HB2 LYS 73 -16.970 4.926 -21.528 571 2HB LYS 73 HB1 LYS 73 -17.201 6.491 -22.291 572 1HG LYS 73 HG2 LYS 73 -19.512 6.224 -22.461 573 2HG LYS 73 HG1 LYS 73 -19.421 4.470 -22.341 574 1HD LYS 73 HD2 LYS 73 -19.450 4.496 -20.076 575 2HD LYS 73 HD1 LYS 73 -18.388 5.894 -19.979 576 1HE LYS 73 HE2 LYS 73 -21.302 6.072 -20.752 577 2HE LYS 73 HE1 LYS 73 -20.729 6.264 -19.103 578 1HZ LYS 73 HZ2 LYS 73 -19.148 7.930 -20.612 579 2HZ LYS 73 HZ1 LYS 73 -20.721 8.122 -21.242 580 3HZ LYS 73 HZ3 LYS 73 -20.441 8.389 -19.588 581 H HIS 74 HN HIS 74 -18.435 3.031 -24.944 582 HA HIS 74 HA HIS 74 -18.453 0.756 -25.134 583 1HB HIS 74 HB2 HIS 74 -15.668 0.867 -23.941 584 2HB HIS 74 HB1 HIS 74 -16.385 -0.497 -24.780 585 HD1 HIS 74 HD1 HIS 74 -14.859 2.843 -25.388 586 HD2 HIS 74 HD2 HIS 74 -16.433 -0.276 -27.607 587 HE1 HIS 74 HE1 HIS 74 -14.269 3.377 -27.762 588 H VAL 75 HN VAL 75 -20.150 0.635 -23.604 589 HA VAL 75 HA VAL 75 -19.374 -0.423 -20.943 590 HB VAL 75 HB VAL 75 -21.879 1.085 -21.733 591 1HG1 VAL 75 HG12 VAL 75 -20.997 -0.133 -19.133 592 2HG1 VAL 75 HG11 VAL 75 -22.151 1.197 -19.192 593 3HG1 VAL 75 HG13 VAL 75 -22.532 -0.334 -19.980 594 1HG2 VAL 75 HG21 VAL 75 -19.795 2.471 -21.612 595 2HG2 VAL 75 HG23 VAL 75 -21.054 2.933 -20.468 596 3HG2 VAL 75 HG22 VAL 75 -19.662 2.003 -19.916 597 H PHE 76 HN PHE 76 -20.866 -2.034 -20.062 598 HA PHE 76 HA PHE 76 -22.678 -3.368 -21.899 599 1HB PHE 76 HB2 PHE 76 -21.663 -5.591 -21.559 600 2HB PHE 76 HB1 PHE 76 -20.629 -4.505 -22.466 601 HD1 PHE 76 HD1 PHE 76 -18.613 -3.521 -21.400 602 HD2 PHE 76 HD2 PHE 76 -20.985 -6.502 -19.475 603 HE1 PHE 76 HE1 PHE 76 -16.744 -4.024 -19.877 604 HE2 PHE 76 HE2 PHE 76 -19.118 -7.004 -17.948 605 HZ PHE 76 HZ PHE 76 -16.996 -5.766 -18.145 606 H LYS 77 HN LYS 77 -24.311 -4.397 -20.856 607 HA LYS 77 HA LYS 77 -24.550 -3.893 -17.981 608 1HB LYS 77 HB2 LYS 77 -26.658 -5.126 -19.738 609 2HB LYS 77 HB1 LYS 77 -26.864 -4.247 -18.231 610 1HG LYS 77 HG2 LYS 77 -25.685 -2.336 -19.765 611 2HG LYS 77 HG1 LYS 77 -26.559 -3.239 -20.997 612 1HD LYS 77 HD2 LYS 77 -27.902 -2.331 -18.451 613 2HD LYS 77 HD1 LYS 77 -27.769 -1.273 -19.852 614 1HE LYS 77 HE2 LYS 77 -29.874 -2.274 -20.117 615 2HE LYS 77 HE1 LYS 77 -28.838 -3.219 -21.176 616 1HZ LYS 77 HZ1 LYS 77 -28.921 -4.290 -18.523 617 2HZ LYS 77 HZ3 LYS 77 -30.474 -4.181 -19.207 618 3HZ LYS 77 HZ2 LYS 77 -29.254 -5.054 -20.019 619 H LEU 78 HN LEU 78 -24.257 -5.394 -16.515 620 HA LEU 78 HA LEU 78 -24.106 -8.240 -17.298 621 1HB LEU 78 HB2 LEU 78 -22.300 -6.662 -15.878 622 2HB LEU 78 HB1 LEU 78 -23.120 -7.570 -14.620 623 HG LEU 78 HG LEU 78 -21.384 -8.527 -16.843 624 1HD1 LEU 78 HD22 LEU 78 -20.868 -8.174 -14.277 625 2HD1 LEU 78 HD21 LEU 78 -21.579 -9.785 -14.149 626 3HD1 LEU 78 HD23 LEU 78 -20.167 -9.519 -15.171 627 1HD2 LEU 78 HD11 LEU 78 -23.818 -9.936 -15.904 628 2HD2 LEU 78 HD13 LEU 78 -22.961 -10.054 -17.444 629 3HD2 LEU 78 HD12 LEU 78 -22.353 -10.898 -16.016 630 H ARG 79 HN ARG 79 -26.061 -9.105 -17.002 631 HA ARG 79 HA ARG 79 -27.689 -8.367 -14.647 632 1HB ARG 79 HB2 ARG 79 -28.317 -9.678 -17.288 633 2HB ARG 79 HB1 ARG 79 -29.440 -9.744 -15.934 634 1HG ARG 79 HG2 ARG 79 -29.861 -7.460 -15.993 635 2HG ARG 79 HG1 ARG 79 -28.343 -7.090 -16.805 636 1HD ARG 79 HD2 ARG 79 -30.636 -7.004 -18.122 637 2HD ARG 79 HD1 ARG 79 -29.178 -7.622 -18.897 638 HE ARG 79 HE ARG 79 -30.010 -9.858 -18.609 639 1HH1 ARG 79 HH21 ARG 79 -31.820 -9.129 -16.172 640 2HH1 ARG 79 HH22 ARG 79 -33.402 -9.366 -16.865 641 1HH2 ARG 79 HH11 ARG 79 -32.210 -9.462 -20.185 642 2HH2 ARG 79 HH12 ARG 79 -33.622 -9.559 -19.164 643 H LEU 80 HN LEU 80 -27.953 -9.759 -13.009 644 HA LEU 80 HA LEU 80 -26.587 -12.320 -13.023 645 1HB LEU 80 HB2 LEU 80 -28.169 -10.778 -10.960 646 2HB LEU 80 HB1 LEU 80 -27.615 -12.418 -10.652 647 HG LEU 80 HG LEU 80 -25.899 -10.030 -11.305 648 1HD1 LEU 80 HD13 LEU 80 -26.995 -10.506 -8.928 649 2HD1 LEU 80 HD12 LEU 80 -25.603 -11.578 -8.793 650 3HD1 LEU 80 HD11 LEU 80 -25.364 -9.857 -9.098 651 1HD2 LEU 80 HD22 LEU 80 -25.287 -12.943 -11.156 652 2HD2 LEU 80 HD21 LEU 80 -24.615 -11.703 -12.217 653 3HD2 LEU 80 HD23 LEU 80 -24.089 -11.805 -10.538 654 H SER 81 HN SER 81 -28.269 -13.823 -11.433 655 HA SER 81 HA SER 81 -29.861 -15.234 -13.207 656 1HB SER 81 HB2 SER 81 -31.001 -15.815 -10.777 657 2HB SER 81 HB1 SER 81 -29.539 -16.565 -11.409 658 HG SER 81 HG SER 81 -29.028 -15.804 -9.376 659 H ASP 82 HN ASP 82 -30.893 -12.936 -10.704 660 HA ASP 82 HA ASP 82 -32.812 -11.516 -12.118 661 1HB ASP 82 HB2 ASP 82 -34.013 -13.742 -12.301 662 2HB ASP 82 HB1 ASP 82 -34.184 -13.727 -10.556 663 H GLY 83 HN GLY 83 -31.320 -10.308 -10.503 664 1HA GLY 83 HA2 GLY 83 -32.930 -9.580 -8.207 665 2HA GLY 83 HA1 GLY 83 -31.435 -10.408 -7.781 666 H ASN 84 HN ASN 84 -29.612 -9.381 -9.598 667 HA ASN 84 HA ASN 84 -29.691 -6.445 -9.218 668 1HB ASN 84 HB2 ASN 84 -27.518 -8.382 -8.389 669 2HB ASN 84 HB1 ASN 84 -27.154 -6.697 -8.736 670 1HD2 ASN 84 HD22 ASN 84 -27.642 -6.135 -5.318 671 2HD2 ASN 84 HD21 ASN 84 -26.521 -6.228 -6.635 672 H GLU 85 HN GLU 85 -28.366 -5.294 -10.707 673 HA GLU 85 HA GLU 85 -27.029 -6.712 -12.856 674 1HB GLU 85 HB2 GLU 85 -28.697 -6.481 -14.393 675 2HB GLU 85 HB1 GLU 85 -29.699 -5.687 -13.198 676 1HG GLU 85 HG2 GLU 85 -28.865 -3.531 -13.796 677 2HG GLU 85 HG1 GLU 85 -27.611 -4.231 -14.822 678 H TYR 86 HN TYR 86 -25.340 -5.532 -13.660 679 HA TYR 86 HA TYR 86 -24.994 -2.754 -12.668 680 1HB TYR 86 HB2 TYR 86 -22.819 -4.857 -12.760 681 2HB TYR 86 HB1 TYR 86 -22.687 -3.223 -12.128 682 HD1 TYR 86 HD2 TYR 86 -24.358 -6.492 -11.576 683 HD2 TYR 86 HD1 TYR 86 -23.198 -2.749 -9.863 684 HE1 TYR 86 HE2 TYR 86 -24.981 -7.317 -9.345 685 HE2 TYR 86 HE1 TYR 86 -23.838 -3.582 -7.635 686 HH TYR 86 HH TYR 86 -25.085 -6.895 -7.177 687 H LEU 87 HN LEU 87 -23.487 -1.477 -13.848 688 HA LEU 87 HA LEU 87 -23.208 -2.228 -16.702 689 1HB LEU 87 HB2 LEU 87 -23.066 0.535 -15.456 690 2HB LEU 87 HB1 LEU 87 -23.023 0.156 -17.172 691 HG LEU 87 HG LEU 87 -25.340 -0.127 -15.285 692 1HD1 LEU 87 HD13 LEU 87 -24.719 2.099 -16.386 693 2HD1 LEU 87 HD12 LEU 87 -25.226 1.349 -17.902 694 3HD1 LEU 87 HD11 LEU 87 -26.383 1.536 -16.579 695 1HD2 LEU 87 HD22 LEU 87 -24.844 -1.417 -17.917 696 2HD2 LEU 87 HD21 LEU 87 -25.768 -2.003 -16.528 697 3HD2 LEU 87 HD23 LEU 87 -26.458 -0.784 -17.605 698 H PHE 88 HN PHE 88 -21.188 -2.477 -17.485 699 HA PHE 88 HA PHE 88 -18.907 -1.616 -15.808 700 1HB PHE 88 HB2 PHE 88 -19.381 -4.188 -17.273 701 2HB PHE 88 HB1 PHE 88 -17.744 -3.633 -16.949 702 HD1 PHE 88 HD1 PHE 88 -16.990 -3.299 -14.616 703 HD2 PHE 88 HD2 PHE 88 -20.730 -5.133 -15.542 704 HE1 PHE 88 HE1 PHE 88 -17.099 -4.213 -12.338 705 HE2 PHE 88 HE2 PHE 88 -20.847 -6.042 -13.254 706 HZ PHE 88 HZ PHE 88 -19.030 -5.587 -11.655 707 H GLN 89 HN GLN 89 -17.489 -0.311 -16.781 708 HA GLN 89 HA GLN 89 -17.663 0.062 -19.714 709 1HB GLN 89 HB2 GLN 89 -18.208 2.008 -18.178 710 2HB GLN 89 HB1 GLN 89 -16.518 1.997 -17.711 711 1HG GLN 89 HG2 GLN 89 -16.481 1.946 -20.514 712 2HG GLN 89 HG1 GLN 89 -17.750 3.088 -20.098 713 1HE2 GLN 89 HE22 GLN 89 -13.941 4.197 -19.800 714 2HE2 GLN 89 HE21 GLN 89 -14.497 2.777 -20.619 715 H ALA 90 HN ALA 90 -15.980 -0.482 -20.921 716 HA ALA 90 HA ALA 90 -13.413 -1.208 -19.637 717 1HB ALA 90 HB2 ALA 90 -14.563 -1.908 -22.352 718 2HB ALA 90 HB1 ALA 90 -12.974 -2.413 -21.772 719 3HB ALA 90 HB3 ALA 90 -14.432 -2.980 -20.956 720 H LYS 91 HN LYS 91 -11.512 -0.869 -21.270 721 HA LYS 91 HA LYS 91 -11.467 1.996 -21.930 722 1HB LYS 91 HB2 LYS 91 -9.256 -0.065 -21.801 723 2HB LYS 91 HB1 LYS 91 -9.027 1.646 -22.140 724 1HG LYS 91 HG2 LYS 91 -9.074 2.169 -19.964 725 2HG LYS 91 HG1 LYS 91 -10.577 1.293 -19.718 726 1HD LYS 91 HD2 LYS 91 -8.411 -0.586 -20.041 727 2HD LYS 91 HD1 LYS 91 -7.999 0.592 -18.800 728 1HE LYS 91 HE2 LYS 91 -9.744 -0.033 -17.417 729 2HE LYS 91 HE1 LYS 91 -10.718 -0.650 -18.747 730 1HZ LYS 91 HZ1 LYS 91 -8.200 -1.983 -18.007 731 2HZ LYS 91 HZ3 LYS 91 -9.637 -2.297 -17.143 732 3HZ LYS 91 HZ2 LYS 91 -9.565 -2.623 -18.810 733 H ASP 92 HN ASP 92 -10.721 -1.142 -23.445 734 HA ASP 92 HA ASP 92 -10.921 0.128 -26.127 735 1HB ASP 92 HB2 ASP 92 -8.706 -0.981 -25.390 736 2HB ASP 92 HB1 ASP 92 -9.567 -2.510 -25.548 737 H ASP 93 HN ASP 93 -11.973 -1.055 -27.784 738 HA ASP 93 HA ASP 93 -14.392 -2.371 -27.039 739 1HB ASP 93 HB2 ASP 93 -14.174 -1.088 -29.129 740 2HB ASP 93 HB1 ASP 93 -12.992 -2.245 -29.733 741 H GLU 94 HN GLU 94 -11.172 -3.512 -27.954 742 HA GLU 94 HA GLU 94 -11.866 -6.270 -28.329 743 1HB GLU 94 HB2 GLU 94 -9.699 -4.812 -28.958 744 2HB GLU 94 HB1 GLU 94 -9.126 -5.491 -27.445 745 1HG GLU 94 HG2 GLU 94 -10.373 -7.274 -29.526 746 2HG GLU 94 HG1 GLU 94 -8.702 -6.756 -29.711 747 H GLU 95 HN GLU 95 -10.840 -4.278 -25.627 748 HA GLU 95 HA GLU 95 -10.487 -6.367 -23.705 749 1HB GLU 95 HB2 GLU 95 -9.719 -3.856 -23.659 750 2HB GLU 95 HB1 GLU 95 -11.314 -3.576 -22.971 751 1HG GLU 95 HG2 GLU 95 -10.555 -5.610 -21.398 752 2HG GLU 95 HG1 GLU 95 -8.958 -4.996 -21.820 753 H MET 96 HN MET 96 -13.117 -4.122 -24.483 754 HA MET 96 HA MET 96 -15.032 -4.891 -22.592 755 1HB MET 96 HB2 MET 96 -15.068 -2.917 -24.234 756 2HB MET 96 HB1 MET 96 -15.677 -4.057 -25.425 757 1HG MET 96 HG2 MET 96 -17.477 -4.618 -23.652 758 2HG MET 96 HG1 MET 96 -16.972 -3.127 -22.870 759 1HE MET 96 HE2 MET 96 -17.892 -4.758 -26.136 760 2HE MET 96 HE1 MET 96 -18.995 -3.641 -26.938 761 3HE MET 96 HE3 MET 96 -17.248 -3.394 -27.048 762 H ASN 97 HN ASN 97 -14.373 -6.155 -25.836 763 HA ASN 97 HA ASN 97 -16.476 -8.055 -25.944 764 1HB ASN 97 HB2 ASN 97 -14.941 -7.131 -27.831 765 2HB ASN 97 HB1 ASN 97 -13.841 -8.422 -27.362 766 1HD2 ASN 97 HD22 ASN 97 -15.626 -10.165 -29.889 767 2HD2 ASN 97 HD21 ASN 97 -14.215 -9.219 -29.539 768 H THR 98 HN THR 98 -13.055 -8.348 -24.958 769 HA THR 98 HA THR 98 -13.069 -11.136 -24.422 770 HB THR 98 HB THR 98 -11.316 -9.016 -23.152 771 HG1 THR 98 HG1 THR 98 -10.916 -8.723 -25.256 772 1HG2 THR 98 HG23 THR 98 -11.244 -11.990 -23.297 773 2HG2 THR 98 HG22 THR 98 -9.711 -11.132 -23.456 774 3HG2 THR 98 HG21 THR 98 -10.701 -10.909 -22.014 775 H TRP 99 HN TRP 99 -13.818 -8.320 -22.414 776 HA TRP 99 HA TRP 99 -14.066 -9.645 -19.913 777 1HB TRP 99 HB2 TRP 99 -15.029 -7.041 -21.053 778 2HB TRP 99 HB1 TRP 99 -15.742 -7.605 -19.548 779 HD1 TRP 99 HD1 TRP 99 -12.996 -5.483 -20.698 780 HE1 TRP 99 HE1 TRP 99 -11.247 -5.174 -18.865 781 HE3 TRP 99 HE3 TRP 99 -14.433 -9.205 -17.470 782 HZ2 TRP 99 HZ2 TRP 99 -10.543 -6.316 -16.399 783 HZ3 TRP 99 HZ3 TRP 99 -13.165 -9.531 -15.383 784 HH2 TRP 99 HH2 TRP 99 -11.239 -8.099 -14.851 785 H ILE 100 HN ILE 100 -16.527 -8.678 -22.309 786 HA ILE 100 HA ILE 100 -18.781 -9.796 -21.081 787 HB ILE 100 HB ILE 100 -18.081 -9.131 -23.928 788 1HG1 ILE 100 HG12 ILE 100 -20.077 -7.914 -22.011 789 2HG1 ILE 100 HG11 ILE 100 -18.440 -7.320 -22.246 790 1HG2 ILE 100 HG23 ILE 100 -20.541 -10.516 -22.933 791 2HG2 ILE 100 HG22 ILE 100 -20.674 -9.337 -24.239 792 3HG2 ILE 100 HG21 ILE 100 -19.643 -10.748 -24.432 793 1HD1 ILE 100 HD12 ILE 100 -19.530 -7.522 -24.827 794 2HD1 ILE 100 HD11 ILE 100 -20.803 -6.822 -23.828 795 3HD1 ILE 100 HD13 ILE 100 -19.223 -6.048 -23.911 796 H GLN 101 HN GLN 101 -16.553 -11.247 -23.472 797 HA GLN 101 HA GLN 101 -17.927 -13.713 -23.750 798 1HB GLN 101 HB2 GLN 101 -15.083 -12.858 -24.262 799 2HB GLN 101 HB1 GLN 101 -15.605 -14.525 -24.516 800 1HG GLN 101 HG2 GLN 101 -17.424 -13.652 -26.015 801 2HG GLN 101 HG1 GLN 101 -16.712 -12.048 -25.862 802 1HE2 GLN 101 HE22 GLN 101 -14.930 -14.915 -28.159 803 2HE2 GLN 101 HE21 GLN 101 -16.188 -15.299 -27.030 804 H ALA 102 HN ALA 102 -15.337 -12.688 -21.535 805 HA ALA 102 HA ALA 102 -14.847 -15.220 -20.344 806 1HB ALA 102 HB2 ALA 102 -14.423 -12.427 -19.256 807 2HB ALA 102 HB1 ALA 102 -13.787 -13.903 -18.527 808 3HB ALA 102 HB3 ALA 102 -13.250 -13.410 -20.132 809 H ILE 103 HN ILE 103 -17.073 -12.594 -19.537 810 HA ILE 103 HA ILE 103 -18.065 -13.775 -17.103 811 HB ILE 103 HB ILE 103 -19.006 -11.515 -18.865 812 1HG1 ILE 103 HG12 ILE 103 -18.054 -11.305 -16.029 813 2HG1 ILE 103 HG11 ILE 103 -16.890 -11.434 -17.344 814 1HG2 ILE 103 HG22 ILE 103 -20.322 -12.730 -16.464 815 2HG2 ILE 103 HG21 ILE 103 -20.403 -10.986 -16.714 816 3HG2 ILE 103 HG23 ILE 103 -21.045 -12.080 -17.938 817 1HD1 ILE 103 HD12 ILE 103 -19.060 -9.335 -17.158 818 2HD1 ILE 103 HD11 ILE 103 -17.364 -9.083 -16.745 819 3HD1 ILE 103 HD13 ILE 103 -17.823 -9.449 -18.406 820 H SER 104 HN SER 104 -19.192 -13.646 -20.488 821 HA SER 104 HA SER 104 -21.716 -14.885 -20.082 822 1HB SER 104 HB2 SER 104 -19.993 -14.803 -22.573 823 2HB SER 104 HB1 SER 104 -21.694 -15.262 -22.524 824 HG SER 104 HG SER 104 -20.521 -12.727 -22.017 825 H SER 105 HN SER 105 -18.505 -16.215 -20.780 826 HA SER 105 HA SER 105 -19.470 -18.947 -20.993 827 1HB SER 105 HB2 SER 105 -16.624 -17.947 -20.715 828 2HB SER 105 HB1 SER 105 -17.135 -19.551 -21.239 829 HG SER 105 HG SER 105 -18.323 -17.598 -22.741 830 H ALA 106 HN ALA 106 -17.469 -17.119 -18.673 831 HA ALA 106 HA ALA 106 -16.966 -17.393 -16.476 832 1HB ALA 106 HB1 ALA 106 -19.695 -18.690 -16.450 833 2HB ALA 106 HB3 ALA 106 -18.796 -18.208 -15.012 834 3HB ALA 106 HB2 ALA 106 -19.333 -16.991 -16.166 No H/Q in entry = 834 Start of MODEL 24 1 1H MET 1 HT1 MET 1 -9.214 -14.335 -15.168 2 2H MET 1 HT3 MET 1 -10.657 -14.411 -16.077 3 3H MET 1 HT2 MET 1 -9.177 -14.873 -16.784 4 HA MET 1 HA MET 1 -8.428 -12.775 -17.051 5 1HB MET 1 HB2 MET 1 -10.633 -13.217 -18.300 6 2HB MET 1 HB1 MET 1 -11.386 -12.169 -17.100 7 1HG MET 1 HG2 MET 1 -9.870 -10.347 -17.723 8 2HG MET 1 HG1 MET 1 -9.057 -11.400 -18.876 9 1HE MET 1 HE3 MET 1 -10.221 -8.503 -19.508 10 2HE MET 1 HE2 MET 1 -9.448 -9.456 -20.772 11 3HE MET 1 HE1 MET 1 -11.034 -8.746 -21.065 12 H GLU 2 HN GLU 2 -7.845 -10.869 -16.158 13 HA GLU 2 HA GLU 2 -9.312 -9.799 -13.832 14 1HB GLU 2 HB2 GLU 2 -6.325 -10.071 -13.636 15 2HB GLU 2 HB1 GLU 2 -7.514 -9.879 -12.353 16 1HG GLU 2 HG2 GLU 2 -8.320 -12.194 -12.798 17 2HG GLU 2 HG1 GLU 2 -7.043 -12.373 -14.003 18 H GLY 3 HN GLY 3 -8.923 -7.578 -13.467 19 1HA GLY 3 HA2 GLY 3 -7.012 -5.894 -14.408 20 2HA GLY 3 HA1 GLY 3 -8.080 -6.084 -15.800 21 H PHE 4 HN PHE 4 -7.871 -3.618 -14.944 22 HA PHE 4 HA PHE 4 -9.812 -2.907 -12.911 23 1HB PHE 4 HB2 PHE 4 -8.069 -1.365 -14.804 24 2HB PHE 4 HB1 PHE 4 -9.366 -0.554 -13.943 25 HD1 PHE 4 HD1 PHE 4 -9.420 -0.925 -11.345 26 HD2 PHE 4 HD2 PHE 4 -5.986 -1.527 -13.818 27 HE1 PHE 4 HE1 PHE 4 -7.955 -0.704 -9.373 28 HE2 PHE 4 HE2 PHE 4 -4.531 -1.294 -11.853 29 HZ PHE 4 HZ PHE 4 -5.544 -0.799 -9.614 30 H LEU 5 HN LEU 5 -11.769 -1.873 -13.235 31 HA LEU 5 HA LEU 5 -12.878 -1.474 -15.902 32 1HB LEU 5 HB2 LEU 5 -13.681 -3.717 -14.086 33 2HB LEU 5 HB1 LEU 5 -14.958 -2.866 -14.939 34 HG LEU 5 HG LEU 5 -12.611 -4.272 -16.206 35 1HD1 LEU 5 HD13 LEU 5 -15.448 -4.999 -15.687 36 2HD1 LEU 5 HD12 LEU 5 -14.706 -5.548 -17.190 37 3HD1 LEU 5 HD11 LEU 5 -13.994 -6.002 -15.642 38 1HD2 LEU 5 HD22 LEU 5 -14.769 -2.532 -17.340 39 2HD2 LEU 5 HD21 LEU 5 -13.046 -2.575 -17.732 40 3HD2 LEU 5 HD23 LEU 5 -14.109 -3.862 -18.296 41 H ASN 6 HN ASN 6 -14.631 -0.009 -15.841 42 HA ASN 6 HA ASN 6 -15.035 1.313 -13.238 43 1HB ASN 6 HB2 ASN 6 -15.937 2.168 -15.993 44 2HB ASN 6 HB1 ASN 6 -16.209 3.061 -14.513 45 1HD2 ASN 6 HD22 ASN 6 -12.994 4.054 -16.387 46 2HD2 ASN 6 HD21 ASN 6 -14.567 3.634 -16.995 47 H ARG 7 HN ARG 7 -16.834 1.018 -12.069 48 HA ARG 7 HA ARG 7 -19.015 -0.586 -13.286 49 1HB ARG 7 HB2 ARG 7 -17.547 -1.774 -11.625 50 2HB ARG 7 HB1 ARG 7 -18.114 -0.644 -10.402 51 1HG ARG 7 HG2 ARG 7 -20.422 -1.399 -10.743 52 2HG ARG 7 HG1 ARG 7 -19.887 -2.485 -12.022 53 1HD ARG 7 HD2 ARG 7 -20.138 -3.831 -10.065 54 2HD ARG 7 HD1 ARG 7 -18.403 -3.610 -10.289 55 HE ARG 7 HE ARG 7 -18.805 -1.636 -8.603 56 1HH1 ARG 7 HH21 ARG 7 -21.175 -1.876 -7.293 57 2HH1 ARG 7 HH22 ARG 7 -21.055 -3.179 -6.147 58 1HH2 ARG 7 HH11 ARG 7 -18.252 -4.624 -7.720 59 2HH2 ARG 7 HH12 ARG 7 -19.358 -4.747 -6.378 60 H LYS 8 HN LYS 8 -21.067 0.023 -12.971 61 HA LYS 8 HA LYS 8 -21.738 2.158 -11.053 62 1HB LYS 8 HB2 LYS 8 -21.332 3.187 -13.294 63 2HB LYS 8 HB1 LYS 8 -22.616 2.192 -13.957 64 1HG LYS 8 HG2 LYS 8 -23.538 3.589 -11.593 65 2HG LYS 8 HG1 LYS 8 -22.851 4.724 -12.751 66 1HD LYS 8 HD2 LYS 8 -24.433 4.274 -14.365 67 2HD LYS 8 HD1 LYS 8 -24.733 2.642 -13.768 68 1HE LYS 8 HE2 LYS 8 -26.269 3.325 -12.225 69 2HE LYS 8 HE1 LYS 8 -25.453 4.855 -11.925 70 1HZ LYS 8 HZ1 LYS 8 -26.276 5.478 -14.245 71 2HZ LYS 8 HZ3 LYS 8 -27.349 4.163 -14.075 72 3HZ LYS 8 HZ2 LYS 8 -27.398 5.455 -12.961 73 H HIS 9 HN HIS 9 -23.436 1.510 -9.882 74 HA HIS 9 HA HIS 9 -24.930 -0.854 -10.637 75 1HB HIS 9 HB2 HIS 9 -26.031 0.350 -8.286 76 2HB HIS 9 HB1 HIS 9 -25.159 -1.158 -8.435 77 HD1 HIS 9 HD1 HIS 9 -23.764 -1.038 -6.346 78 HD2 HIS 9 HD2 HIS 9 -23.508 2.439 -8.582 79 HE1 HIS 9 HE1 HIS 9 -21.953 0.308 -5.253 80 H GLU 10 HN GLU 10 -26.489 -0.574 -12.104 81 HA GLU 10 HA GLU 10 -28.040 1.843 -12.385 82 1HB GLU 10 HB2 GLU 10 -28.024 -0.887 -13.655 83 2HB GLU 10 HB1 GLU 10 -29.329 0.238 -13.964 84 1HG GLU 10 HG2 GLU 10 -26.546 1.250 -14.284 85 2HG GLU 10 HG1 GLU 10 -27.158 0.126 -15.497 86 H TRP 11 HN TRP 11 -28.363 -1.333 -10.992 87 HA TRP 11 HA TRP 11 -30.685 -0.549 -9.404 88 1HB TRP 11 HB2 TRP 11 -31.634 -1.545 -11.476 89 2HB TRP 11 HB1 TRP 11 -30.684 -2.998 -11.207 90 HD1 TRP 11 HD1 TRP 11 -33.473 -0.974 -9.329 91 HE1 TRP 11 HE1 TRP 11 -34.929 -2.666 -8.074 92 HE3 TRP 11 HE3 TRP 11 -30.961 -5.306 -10.435 93 HZ2 TRP 11 HZ2 TRP 11 -35.034 -5.421 -7.604 94 HZ3 TRP 11 HZ3 TRP 11 -31.809 -7.441 -9.546 95 HH2 TRP 11 HH2 TRP 11 -33.822 -7.502 -8.143 96 H GLU 12 HN GLU 12 -30.212 -1.154 -7.382 97 HA GLU 12 HA GLU 12 -28.802 -3.660 -6.825 98 1HB GLU 12 HB2 GLU 12 -27.139 -1.747 -7.135 99 2HB GLU 12 HB1 GLU 12 -27.812 -1.049 -5.666 100 1HG GLU 12 HG2 GLU 12 -27.203 -3.099 -4.426 101 2HG GLU 12 HG1 GLU 12 -26.537 -3.789 -5.908 102 H ALA 13 HN ALA 13 -31.098 -3.986 -6.146 103 HA ALA 13 HA ALA 13 -32.596 -4.404 -4.467 104 1HB ALA 13 HB1 ALA 13 -30.355 -4.661 -3.159 105 2HB ALA 13 HB3 ALA 13 -30.793 -3.113 -2.434 106 3HB ALA 13 HB2 ALA 13 -31.862 -4.504 -2.254 107 H HIS 14 HN HIS 14 -31.806 -1.394 -5.485 108 HA HIS 14 HA HIS 14 -33.494 0.155 -3.665 109 1HB HIS 14 HB2 HIS 14 -31.750 0.852 -6.030 110 2HB HIS 14 HB1 HIS 14 -32.863 2.013 -5.330 111 HD1 HIS 14 HD1 HIS 14 -32.447 2.526 -2.719 112 HD2 HIS 14 HD2 HIS 14 -29.315 0.729 -4.741 113 HE1 HIS 14 HE1 HIS 14 -30.435 2.929 -1.289 114 H ASN 15 HN ASN 15 -35.341 1.308 -4.369 115 HA ASN 15 HA ASN 15 -37.058 -0.142 -6.138 116 1HB ASN 15 HB2 ASN 15 -38.655 1.782 -5.733 117 2HB ASN 15 HB1 ASN 15 -38.114 0.927 -4.295 118 1HD2 ASN 15 HD22 ASN 15 -37.484 4.878 -4.643 119 2HD2 ASN 15 HD21 ASN 15 -38.429 3.947 -5.766 120 H LYS 16 HN LYS 16 -37.421 0.097 -8.226 121 HA LYS 16 HA LYS 16 -37.424 0.834 -10.367 122 1HB LYS 16 HB2 LYS 16 -37.070 3.534 -9.058 123 2HB LYS 16 HB1 LYS 16 -37.155 3.335 -10.801 124 1HG LYS 16 HG2 LYS 16 -39.301 1.993 -9.260 125 2HG LYS 16 HG1 LYS 16 -39.322 3.754 -9.217 126 1HD LYS 16 HD2 LYS 16 -40.696 2.983 -11.068 127 2HD LYS 16 HD1 LYS 16 -39.266 3.798 -11.695 128 1HE LYS 16 HE2 LYS 16 -38.242 1.767 -12.334 129 2HE LYS 16 HE1 LYS 16 -39.329 0.808 -11.333 130 1HZ LYS 16 HZ3 LYS 16 -40.942 2.171 -13.106 131 2HZ LYS 16 HZ2 LYS 16 -39.621 1.613 -14.029 132 3HZ LYS 16 HZ1 LYS 16 -40.551 0.509 -13.113 133 H LYS 17 HN LYS 17 -34.901 2.888 -8.911 134 HA LYS 17 HA LYS 17 -32.821 1.416 -10.360 135 1HB LYS 17 HB2 LYS 17 -33.489 4.328 -10.815 136 2HB LYS 17 HB1 LYS 17 -31.882 3.682 -11.133 137 1HG LYS 17 HG2 LYS 17 -33.155 1.886 -12.535 138 2HG LYS 17 HG1 LYS 17 -34.469 3.060 -12.519 139 1HD LYS 17 HD2 LYS 17 -33.391 3.743 -14.425 140 2HD LYS 17 HD1 LYS 17 -32.518 4.714 -13.242 141 1HE LYS 17 HE2 LYS 17 -30.699 3.109 -13.191 142 2HE LYS 17 HE1 LYS 17 -31.586 2.017 -14.247 143 1HZ LYS 17 HZ3 LYS 17 -31.177 4.702 -15.277 144 2HZ LYS 17 HZ2 LYS 17 -29.769 3.750 -15.104 145 3HZ LYS 17 HZ1 LYS 17 -31.057 3.192 -16.063 146 H ALA 18 HN ALA 18 -30.632 2.379 -9.789 147 HA ALA 18 HA ALA 18 -30.589 3.189 -6.933 148 1HB ALA 18 HB3 ALA 18 -29.823 0.874 -7.268 149 2HB ALA 18 HB2 ALA 18 -28.616 1.438 -8.422 150 3HB ALA 18 HB1 ALA 18 -28.503 1.912 -6.727 151 H SER 19 HN SER 19 -28.880 4.527 -6.268 152 HA SER 19 HA SER 19 -27.115 5.783 -8.215 153 1HB SER 19 HB2 SER 19 -29.062 7.528 -6.675 154 2HB SER 19 HB1 SER 19 -27.912 8.030 -7.912 155 HG SER 19 HG SER 19 -29.477 6.157 -8.981 156 H SER 20 HN SER 20 -25.916 4.415 -6.589 157 HA SER 20 HA SER 20 -25.380 5.873 -4.058 158 1HB SER 20 HB2 SER 20 -24.577 3.020 -4.610 159 2HB SER 20 HB1 SER 20 -24.808 3.826 -3.062 160 HG SER 20 HG SER 20 -26.605 2.480 -4.582 161 H ARG 21 HN ARG 21 -23.888 7.343 -4.906 162 HA ARG 21 HA ARG 21 -21.742 8.089 -5.216 163 1HB ARG 21 HB2 ARG 21 -21.208 5.820 -3.974 164 2HB ARG 21 HB1 ARG 21 -20.630 5.332 -5.565 165 1HG ARG 21 HG2 ARG 21 -19.571 7.900 -5.149 166 2HG ARG 21 HG1 ARG 21 -19.400 7.073 -3.604 167 1HD ARG 21 HD2 ARG 21 -17.411 6.675 -4.923 168 2HD ARG 21 HD1 ARG 21 -18.317 5.166 -4.785 169 HE ARG 21 HE ARG 21 -18.890 5.321 -7.078 170 1HH1 ARG 21 HH11 ARG 21 -19.483 7.929 -7.944 171 2HH1 ARG 21 HH12 ARG 21 -18.032 8.555 -8.671 172 1HH2 ARG 21 HH21 ARG 21 -15.931 6.178 -7.129 173 2HH2 ARG 21 HH22 ARG 21 -15.994 7.525 -8.236 174 H SER 22 HN SER 22 -22.530 5.281 -7.253 175 HA SER 22 HA SER 22 -22.810 5.159 -9.535 176 1HB SER 22 HB2 SER 22 -23.151 7.719 -9.406 177 2HB SER 22 HB1 SER 22 -21.482 7.823 -9.960 178 HG SER 22 HG SER 22 -23.038 7.821 -11.697 179 H TRP 23 HN TRP 23 -21.030 6.142 -11.462 180 HA TRP 23 HA TRP 23 -19.314 4.155 -11.990 181 1HB TRP 23 HB2 TRP 23 -19.100 7.084 -12.623 182 2HB TRP 23 HB1 TRP 23 -17.906 5.939 -13.222 183 HD1 TRP 23 HD1 TRP 23 -21.227 7.376 -14.124 184 HE1 TRP 23 HE1 TRP 23 -22.246 6.043 -16.049 185 HE3 TRP 23 HE3 TRP 23 -18.104 3.323 -14.146 186 HZ2 TRP 23 HZ2 TRP 23 -21.822 3.603 -17.416 187 HZ3 TRP 23 HZ3 TRP 23 -18.455 1.540 -15.769 188 HH2 TRP 23 HH2 TRP 23 -20.292 1.664 -17.404 189 H HIS 24 HN HIS 24 -17.912 3.182 -10.709 190 HA HIS 24 HA HIS 24 -15.709 4.753 -9.498 191 1HB HIS 24 HB2 HIS 24 -15.622 2.958 -7.698 192 2HB HIS 24 HB1 HIS 24 -16.966 4.083 -7.599 193 HD1 HIS 24 HD1 HIS 24 -19.303 3.100 -8.539 194 HD2 HIS 24 HD2 HIS 24 -16.370 0.305 -7.703 195 HE1 HIS 24 HE1 HIS 24 -20.518 0.919 -8.362 196 H ASN 25 HN ASN 25 -13.690 3.947 -9.786 197 HA ASN 25 HA ASN 25 -13.317 1.852 -11.783 198 1HB ASN 25 HB2 ASN 25 -11.999 4.015 -11.765 199 2HB ASN 25 HB1 ASN 25 -11.214 3.461 -10.289 200 1HD2 ASN 25 HD22 ASN 25 -10.263 1.748 -13.901 201 2HD2 ASN 25 HD21 ASN 25 -11.745 2.631 -13.703 202 H VAL 26 HN VAL 26 -13.212 -0.222 -11.175 203 HA VAL 26 HA VAL 26 -11.945 -0.914 -8.591 204 HB VAL 26 HB VAL 26 -14.540 -0.908 -8.683 205 1HG1 VAL 26 HG13 VAL 26 -14.485 -2.263 -10.875 206 2HG1 VAL 26 HG12 VAL 26 -14.190 -3.655 -9.833 207 3HG1 VAL 26 HG11 VAL 26 -15.664 -2.704 -9.642 208 1HG2 VAL 26 HG21 VAL 26 -12.991 -1.946 -6.941 209 2HG2 VAL 26 HG23 VAL 26 -14.647 -2.538 -7.023 210 3HG2 VAL 26 HG22 VAL 26 -13.340 -3.487 -7.733 211 H TYR 27 HN TYR 27 -11.186 -3.119 -8.477 212 HA TYR 27 HA TYR 27 -10.145 -4.068 -11.073 213 1HB TYR 27 HB2 TYR 27 -8.693 -3.475 -9.004 214 2HB TYR 27 HB1 TYR 27 -9.241 -5.008 -8.358 215 HD1 TYR 27 HD2 TYR 27 -8.682 -7.118 -9.564 216 HD2 TYR 27 HD1 TYR 27 -7.041 -3.355 -10.693 217 HE1 TYR 27 HE2 TYR 27 -6.891 -8.271 -10.805 218 HE2 TYR 27 HE1 TYR 27 -5.252 -4.495 -11.928 219 HH TYR 27 HH TYR 27 -4.594 -7.816 -11.587 220 H CYS 28 HN CYS 28 -11.409 -5.568 -11.976 221 HA CYS 28 HA CYS 28 -12.990 -7.408 -10.313 222 1HB CYS 28 HB2 CYS 28 -13.056 -6.947 -13.303 223 2HB CYS 28 HB1 CYS 28 -14.193 -7.917 -12.375 224 HG CYS 28 HG CYS 28 -14.035 -4.964 -11.542 225 H VAL 29 HN VAL 29 -12.577 -9.514 -10.130 226 HA VAL 29 HA VAL 29 -10.631 -10.823 -11.940 227 HB VAL 29 HB VAL 29 -10.758 -11.008 -8.919 228 1HG1 VAL 29 HG13 VAL 29 -9.358 -12.713 -10.951 229 2HG1 VAL 29 HG12 VAL 29 -8.643 -12.466 -9.359 230 3HG1 VAL 29 HG11 VAL 29 -10.242 -13.198 -9.502 231 1HG2 VAL 29 HG21 VAL 29 -9.053 -9.538 -10.808 232 2HG2 VAL 29 HG23 VAL 29 -9.393 -9.237 -9.103 233 3HG2 VAL 29 HG22 VAL 29 -8.180 -10.431 -9.564 234 H ILE 30 HN ILE 30 -11.689 -12.423 -12.939 235 HA ILE 30 HA ILE 30 -14.111 -13.605 -11.810 236 HB ILE 30 HB ILE 30 -12.694 -14.448 -14.335 237 1HG1 ILE 30 HG12 ILE 30 -14.595 -12.126 -13.940 238 2HG1 ILE 30 HG11 ILE 30 -12.936 -12.054 -14.525 239 1HG2 ILE 30 HG23 ILE 30 -15.550 -14.602 -13.365 240 2HG2 ILE 30 HG22 ILE 30 -15.065 -14.955 -15.028 241 3HG2 ILE 30 HG21 ILE 30 -14.451 -15.938 -13.700 242 1HD1 ILE 30 HD13 ILE 30 -13.698 -13.514 -16.468 243 2HD1 ILE 30 HD12 ILE 30 -15.347 -13.178 -15.937 244 3HD1 ILE 30 HD11 ILE 30 -14.299 -11.856 -16.447 245 H ASN 31 HN ASN 31 -14.248 -15.580 -10.884 246 HA ASN 31 HA ASN 31 -11.882 -17.356 -10.880 247 1HB ASN 31 HB2 ASN 31 -11.855 -15.906 -8.851 248 2HB ASN 31 HB1 ASN 31 -13.440 -16.535 -8.408 249 1HD2 ASN 31 HD22 ASN 31 -11.697 -18.880 -6.465 250 2HD2 ASN 31 HD21 ASN 31 -12.757 -17.502 -6.518 251 H ASN 32 HN ASN 32 -13.129 -18.595 -12.375 252 HA ASN 32 HA ASN 32 -14.372 -20.413 -12.945 253 1HB ASN 32 HB2 ASN 32 -13.395 -21.125 -10.631 254 2HB ASN 32 HB1 ASN 32 -15.040 -20.934 -10.053 255 1HD2 ASN 32 HD22 ASN 32 -13.973 -24.258 -11.987 256 2HD2 ASN 32 HD21 ASN 32 -12.868 -23.049 -11.403 257 H GLN 33 HN GLN 33 -16.517 -20.344 -10.248 258 HA GLN 33 HA GLN 33 -18.718 -19.380 -11.966 259 1HB GLN 33 HB2 GLN 33 -18.412 -21.510 -10.055 260 2HB GLN 33 HB1 GLN 33 -19.690 -20.437 -9.507 261 1HG GLN 33 HG2 GLN 33 -20.875 -21.897 -10.854 262 2HG GLN 33 HG1 GLN 33 -20.522 -20.597 -11.989 263 1HE2 GLN 33 HE22 GLN 33 -18.454 -22.533 -14.044 264 2HE2 GLN 33 HE21 GLN 33 -19.114 -20.968 -13.680 265 H GLU 34 HN GLU 34 -16.637 -17.896 -10.031 266 HA GLU 34 HA GLU 34 -18.638 -15.997 -8.963 267 1HB GLU 34 HB2 GLU 34 -16.223 -17.073 -7.470 268 2HB GLU 34 HB1 GLU 34 -17.257 -15.765 -6.904 269 1HG GLU 34 HG2 GLU 34 -19.079 -17.197 -6.519 270 2HG GLU 34 HG1 GLU 34 -18.411 -18.480 -7.524 271 H MET 35 HN MET 35 -17.319 -14.022 -8.118 272 HA MET 35 HA MET 35 -14.879 -13.433 -9.539 273 1HB MET 35 HB2 MET 35 -15.714 -11.471 -10.724 274 2HB MET 35 HB1 MET 35 -16.553 -12.915 -11.276 275 1HG MET 35 HG2 MET 35 -18.454 -12.373 -9.848 276 2HG MET 35 HG1 MET 35 -17.630 -10.933 -9.265 277 1HE MET 35 HE3 MET 35 -16.789 -9.121 -10.700 278 2HE MET 35 HE2 MET 35 -16.453 -9.638 -12.352 279 3HE MET 35 HE1 MET 35 -17.718 -8.449 -12.048 280 H GLY 36 HN GLY 36 -13.753 -11.799 -8.532 281 1HA GLY 36 HA2 GLY 36 -14.966 -10.744 -6.044 282 2HA GLY 36 HA1 GLY 36 -13.278 -11.165 -6.222 283 H PHE 37 HN PHE 37 -15.000 -8.632 -5.695 284 HA PHE 37 HA PHE 37 -13.827 -6.795 -7.686 285 1HB PHE 37 HB2 PHE 37 -15.887 -6.375 -5.502 286 2HB PHE 37 HB1 PHE 37 -15.278 -5.101 -6.552 287 HD1 PHE 37 HD1 PHE 37 -15.403 -5.715 -9.159 288 HD2 PHE 37 HD2 PHE 37 -17.879 -7.359 -6.090 289 HE1 PHE 37 HE1 PHE 37 -17.117 -6.278 -10.837 290 HE2 PHE 37 HE2 PHE 37 -19.586 -7.919 -7.767 291 HZ PHE 37 HZ PHE 37 -19.181 -7.399 -10.165 292 H TYR 38 HN TYR 38 -11.762 -6.359 -7.139 293 HA TYR 38 HA TYR 38 -11.093 -5.805 -4.301 294 1HB TYR 38 HB2 TYR 38 -9.279 -6.609 -6.585 295 2HB TYR 38 HB1 TYR 38 -8.790 -6.358 -4.914 296 HD1 TYR 38 HD1 TYR 38 -9.528 -7.896 -3.154 297 HD2 TYR 38 HD2 TYR 38 -10.375 -8.647 -7.259 298 HE1 TYR 38 HE1 TYR 38 -10.080 -10.228 -2.603 299 HE2 TYR 38 HE2 TYR 38 -10.919 -10.987 -6.717 300 HH TYR 38 HH TYR 38 -10.511 -12.271 -3.437 301 H LYS 39 HN LYS 39 -9.167 -4.272 -4.100 302 HA LYS 39 HA LYS 39 -9.926 -1.722 -5.157 303 1HB LYS 39 HB2 LYS 39 -8.825 -2.289 -2.874 304 2HB LYS 39 HB1 LYS 39 -7.305 -2.275 -3.764 305 1HG LYS 39 HG2 LYS 39 -7.249 -0.035 -3.788 306 2HG LYS 39 HG1 LYS 39 -8.889 0.059 -4.425 307 1HD LYS 39 HD2 LYS 39 -9.694 -0.393 -2.040 308 2HD LYS 39 HD1 LYS 39 -8.034 -0.093 -1.533 309 1HE LYS 39 HE2 LYS 39 -8.493 2.088 -3.114 310 2HE LYS 39 HE1 LYS 39 -10.105 1.796 -2.468 311 1HZ LYS 39 HZ3 LYS 39 -7.646 2.102 -0.831 312 2HZ LYS 39 HZ2 LYS 39 -8.807 3.325 -1.103 313 3HZ LYS 39 HZ1 LYS 39 -9.233 1.920 -0.236 314 H ASP 40 HN ASP 40 -6.978 -3.693 -5.557 315 HA ASP 40 HA ASP 40 -6.651 -2.782 -8.306 316 1HB ASP 40 HB2 ASP 40 -4.505 -1.808 -8.042 317 2HB ASP 40 HB1 ASP 40 -5.496 -1.090 -6.783 318 H ALA 41 HN ALA 41 -4.112 -3.702 -8.790 319 HA ALA 41 HA ALA 41 -4.483 -6.505 -9.035 320 1HB ALA 41 HB1 ALA 41 -3.105 -5.185 -10.595 321 2HB ALA 41 HB3 ALA 41 -1.929 -4.897 -9.310 322 3HB ALA 41 HB2 ALA 41 -2.194 -6.534 -9.914 323 H LYS 42 HN LYS 42 -2.612 -4.533 -6.767 324 HA LYS 42 HA LYS 42 -1.287 -6.673 -5.427 325 1HB LYS 42 HB2 LYS 42 -1.983 -3.913 -4.377 326 2HB LYS 42 HB1 LYS 42 -0.811 -5.026 -3.678 327 1HG LYS 42 HG2 LYS 42 0.392 -4.966 -5.915 328 2HG LYS 42 HG1 LYS 42 -0.651 -3.609 -6.334 329 1HD LYS 42 HD2 LYS 42 0.176 -2.649 -4.020 330 2HD LYS 42 HD1 LYS 42 1.518 -3.759 -4.272 331 1HE LYS 42 HE2 LYS 42 0.644 -1.657 -6.259 332 2HE LYS 42 HE1 LYS 42 1.968 -1.460 -5.121 333 1HZ LYS 42 HZ3 LYS 42 2.447 -3.843 -6.429 334 2HZ LYS 42 HZ2 LYS 42 1.956 -2.751 -7.645 335 3HZ LYS 42 HZ1 LYS 42 3.277 -2.373 -6.628 336 H SER 43 HN SER 43 -4.274 -4.857 -4.750 337 HA SER 43 HA SER 43 -5.007 -6.162 -2.344 338 1HB SER 43 HB2 SER 43 -5.935 -4.008 -3.478 339 2HB SER 43 HB1 SER 43 -7.012 -5.108 -4.330 340 HG SER 43 HG SER 43 -6.994 -4.319 -1.672 341 H ALA 44 HN ALA 44 -5.755 -6.879 -5.747 342 HA ALA 44 HA ALA 44 -7.522 -9.043 -5.306 343 1HB ALA 44 HB2 ALA 44 -7.385 -7.801 -7.431 344 2HB ALA 44 HB1 ALA 44 -5.775 -8.469 -7.711 345 3HB ALA 44 HB3 ALA 44 -7.183 -9.536 -7.679 346 H ALA 45 HN ALA 45 -4.014 -8.855 -5.713 347 HA ALA 45 HA ALA 45 -3.531 -11.665 -5.885 348 1HB ALA 45 HB3 ALA 45 -1.943 -9.862 -6.629 349 2HB ALA 45 HB2 ALA 45 -1.607 -9.536 -4.929 350 3HB ALA 45 HB1 ALA 45 -1.212 -11.112 -5.617 351 H SER 46 HN SER 46 -3.338 -9.333 -3.210 352 HA SER 46 HA SER 46 -2.580 -11.225 -1.206 353 1HB SER 46 HB2 SER 46 -3.905 -8.526 -0.843 354 2HB SER 46 HB1 SER 46 -3.002 -9.433 0.372 355 HG SER 46 HG SER 46 -1.160 -9.281 -1.104 356 H GLY 47 HN GLY 47 -5.676 -9.945 -2.325 357 1HA GLY 47 HA2 GLY 47 -7.760 -11.022 -2.212 358 2HA GLY 47 HA1 GLY 47 -7.117 -12.127 -0.999 359 H ILE 48 HN ILE 48 -7.194 -8.574 -1.154 360 HA ILE 48 HA ILE 48 -8.329 -8.456 1.562 361 HB ILE 48 HB ILE 48 -7.046 -6.357 -0.201 362 1HG1 ILE 48 HG12 ILE 48 -5.967 -7.496 2.370 363 2HG1 ILE 48 HG11 ILE 48 -5.591 -8.197 0.799 364 1HG2 ILE 48 HG23 ILE 48 -8.083 -6.140 2.623 365 2HG2 ILE 48 HG22 ILE 48 -6.996 -4.972 1.881 366 3HG2 ILE 48 HG21 ILE 48 -8.608 -5.217 1.214 367 1HD1 ILE 48 HD13 ILE 48 -4.838 -5.860 0.099 368 2HD1 ILE 48 HD12 ILE 48 -4.919 -5.439 1.810 369 3HD1 ILE 48 HD11 ILE 48 -3.813 -6.700 1.264 370 HA PRO 49 HA PRO 49 -12.319 -7.533 -0.256 371 1HB PRO 49 HB2 PRO 49 -13.557 -6.539 1.966 372 2HB PRO 49 HB1 PRO 49 -13.295 -8.263 1.663 373 1HG PRO 49 HG2 PRO 49 -11.734 -6.382 3.376 374 2HG PRO 49 HG1 PRO 49 -12.228 -8.050 3.706 375 1HD PRO 49 HD2 PRO 49 -9.727 -7.405 2.905 376 2HD PRO 49 HD1 PRO 49 -10.498 -8.940 2.465 377 H TYR 50 HN TYR 50 -13.020 -5.843 -1.409 378 HA TYR 50 HA TYR 50 -11.773 -3.281 -1.263 379 1HB TYR 50 HB2 TYR 50 -12.548 -4.279 -3.375 380 2HB TYR 50 HB1 TYR 50 -14.213 -4.165 -2.832 381 HD1 TYR 50 HD1 TYR 50 -11.268 -1.868 -2.991 382 HD2 TYR 50 HD2 TYR 50 -15.400 -2.479 -3.854 383 HE1 TYR 50 HE1 TYR 50 -11.399 0.391 -3.959 384 HE2 TYR 50 HE2 TYR 50 -15.531 -0.220 -4.825 385 HH TYR 50 HH TYR 50 -13.119 2.110 -4.387 386 H HIS 51 HN HIS 51 -15.278 -3.943 -1.126 387 HA HIS 51 HA HIS 51 -15.547 -2.059 1.142 388 1HB HIS 51 HB2 HIS 51 -17.121 -2.089 -1.443 389 2HB HIS 51 HB1 HIS 51 -17.732 -1.326 0.017 390 HD1 HIS 51 HD1 HIS 51 -17.111 0.263 -2.586 391 HD2 HIS 51 HD2 HIS 51 -14.544 -0.056 0.649 392 HE1 HIS 51 HE1 HIS 51 -15.574 2.230 -2.769 393 H SER 52 HN SER 52 -18.167 -3.556 -0.628 394 HA SER 52 HA SER 52 -18.517 -5.693 1.312 395 1HB SER 52 HB2 SER 52 -20.572 -3.518 0.805 396 2HB SER 52 HB1 SER 52 -20.938 -5.055 1.584 397 HG SER 52 HG SER 52 -19.389 -2.886 2.527 398 H GLU 53 HN GLU 53 -19.611 -7.381 0.472 399 HA GLU 53 HA GLU 53 -20.446 -8.856 -1.068 400 1HB GLU 53 HB2 GLU 53 -21.284 -6.438 -2.698 401 2HB GLU 53 HB1 GLU 53 -21.869 -8.085 -2.878 402 1HG GLU 53 HG2 GLU 53 -22.283 -6.351 -0.430 403 2HG GLU 53 HG1 GLU 53 -23.483 -6.657 -1.683 404 H VAL 54 HN VAL 54 -17.844 -8.540 -1.059 405 HA VAL 54 HA VAL 54 -16.715 -7.771 -3.585 406 HB VAL 54 HB VAL 54 -15.597 -9.195 -1.175 407 1HG1 VAL 54 HG13 VAL 54 -14.296 -8.721 -3.838 408 2HG1 VAL 54 HG12 VAL 54 -13.340 -8.702 -2.358 409 3HG1 VAL 54 HG11 VAL 54 -14.238 -10.154 -2.809 410 1HG2 VAL 54 HG23 VAL 54 -16.137 -6.619 -1.409 411 2HG2 VAL 54 HG22 VAL 54 -14.701 -7.195 -0.564 412 3HG2 VAL 54 HG21 VAL 54 -14.575 -6.615 -2.226 413 HA PRO 55 HA PRO 55 -16.611 -12.409 -4.597 414 1HB PRO 55 HB2 PRO 55 -17.587 -14.268 -2.880 415 2HB PRO 55 HB1 PRO 55 -15.937 -13.642 -2.791 416 1HG PRO 55 HG2 PRO 55 -18.230 -13.142 -1.025 417 2HG PRO 55 HG1 PRO 55 -16.499 -12.962 -0.705 418 1HD PRO 55 HD2 PRO 55 -18.404 -10.915 -1.350 419 2HD PRO 55 HD1 PRO 55 -16.674 -10.745 -1.027 420 H VAL 56 HN VAL 56 -18.204 -11.756 -6.085 421 HA VAL 56 HA VAL 56 -21.018 -12.295 -5.389 422 HB VAL 56 HB VAL 56 -19.736 -10.263 -6.907 423 1HG1 VAL 56 HG12 VAL 56 -20.071 -11.724 -8.899 424 2HG1 VAL 56 HG11 VAL 56 -21.801 -11.710 -8.566 425 3HG1 VAL 56 HG13 VAL 56 -20.967 -10.209 -8.968 426 1HG2 VAL 56 HG23 VAL 56 -21.595 -10.033 -5.300 427 2HG2 VAL 56 HG22 VAL 56 -21.950 -9.261 -6.851 428 3HG2 VAL 56 HG21 VAL 56 -22.664 -10.829 -6.461 429 H SER 57 HN SER 57 -22.369 -13.503 -6.759 430 HA SER 57 HA SER 57 -21.129 -15.892 -7.794 431 1HB SER 57 HB2 SER 57 -24.007 -15.041 -7.748 432 2HB SER 57 HB1 SER 57 -23.405 -16.663 -7.990 433 HG SER 57 HG SER 57 -23.973 -15.480 -5.682 434 H LEU 58 HN LEU 58 -20.696 -16.353 -9.865 435 HA LEU 58 HA LEU 58 -21.838 -14.658 -12.024 436 1HB LEU 58 HB2 LEU 58 -19.290 -14.504 -11.410 437 2HB LEU 58 HB1 LEU 58 -19.176 -16.034 -12.271 438 HG LEU 58 HG LEU 58 -20.314 -14.896 -14.223 439 1HD1 LEU 58 HD11 LEU 58 -20.569 -12.790 -12.313 440 2HD1 LEU 58 HD13 LEU 58 -19.538 -12.227 -13.631 441 3HD1 LEU 58 HD12 LEU 58 -21.153 -12.846 -13.977 442 1HD2 LEU 58 HD22 LEU 58 -17.718 -15.132 -13.666 443 2HD2 LEU 58 HD21 LEU 58 -18.302 -14.310 -15.117 444 3HD2 LEU 58 HD23 LEU 58 -17.824 -13.370 -13.702 445 H LYS 59 HN LYS 59 -22.693 -17.321 -10.828 446 HA LYS 59 HA LYS 59 -22.213 -19.264 -12.929 447 1HB LYS 59 HB2 LYS 59 -22.464 -20.026 -10.623 448 2HB LYS 59 HB1 LYS 59 -24.070 -19.313 -10.534 449 1HG LYS 59 HG2 LYS 59 -25.030 -20.937 -11.854 450 2HG LYS 59 HG1 LYS 59 -23.533 -21.274 -12.716 451 1HD LYS 59 HD2 LYS 59 -23.209 -23.057 -11.412 452 2HD LYS 59 HD1 LYS 59 -23.050 -21.989 -10.023 453 1HE LYS 59 HE2 LYS 59 -25.815 -22.655 -10.932 454 2HE LYS 59 HE1 LYS 59 -24.894 -23.928 -10.145 455 1HZ LYS 59 HZ2 LYS 59 -24.507 -22.413 -8.269 456 2HZ LYS 59 HZ1 LYS 59 -25.519 -21.258 -9.018 457 3HZ LYS 59 HZ3 LYS 59 -26.162 -22.754 -8.523 458 H GLU 60 HN GLU 60 -23.161 -18.944 -14.835 459 HA GLU 60 HA GLU 60 -24.731 -18.624 -16.458 460 1HB GLU 60 HB2 GLU 60 -26.818 -18.923 -14.279 461 2HB GLU 60 HB1 GLU 60 -27.038 -19.151 -16.011 462 1HG GLU 60 HG2 GLU 60 -25.536 -21.086 -15.979 463 2HG GLU 60 HG1 GLU 60 -25.235 -20.846 -14.261 464 H ALA 61 HN ALA 61 -23.554 -16.376 -15.544 465 HA ALA 61 HA ALA 61 -25.413 -14.321 -14.765 466 1HB ALA 61 HB3 ALA 61 -22.949 -14.316 -14.250 467 2HB ALA 61 HB2 ALA 61 -22.644 -13.959 -15.953 468 3HB ALA 61 HB1 ALA 61 -23.554 -12.818 -14.956 469 H ILE 62 HN ILE 62 -26.309 -12.702 -16.014 470 HA ILE 62 HA ILE 62 -26.412 -13.194 -18.922 471 HB ILE 62 HB ILE 62 -28.175 -11.598 -17.059 472 1HG1 ILE 62 HG12 ILE 62 -29.523 -13.559 -18.669 473 2HG1 ILE 62 HG11 ILE 62 -28.172 -14.319 -17.836 474 1HG2 ILE 62 HG22 ILE 62 -28.084 -11.692 -20.047 475 2HG2 ILE 62 HG21 ILE 62 -29.626 -11.466 -19.219 476 3HG2 ILE 62 HG23 ILE 62 -28.314 -10.309 -18.976 477 1HD1 ILE 62 HD11 ILE 62 -29.029 -13.206 -15.711 478 2HD1 ILE 62 HD13 ILE 62 -30.494 -12.820 -16.620 479 3HD1 ILE 62 HD12 ILE 62 -30.028 -14.504 -16.362 480 H CYS 63 HN CYS 63 -25.672 -11.694 -20.367 481 HA CYS 63 HA CYS 63 -24.702 -9.097 -19.362 482 1HB CYS 63 HB2 CYS 63 -22.858 -10.844 -19.400 483 2HB CYS 63 HB1 CYS 63 -23.039 -10.879 -21.147 484 HG CYS 63 HG CYS 63 -22.496 -8.081 -20.046 485 H GLU 64 HN GLU 64 -24.771 -7.442 -20.823 486 HA GLU 64 HA GLU 64 -25.685 -7.961 -23.580 487 1HB GLU 64 HB2 GLU 64 -27.021 -6.131 -21.569 488 2HB GLU 64 HB1 GLU 64 -27.315 -6.053 -23.304 489 1HG GLU 64 HG2 GLU 64 -28.156 -8.345 -23.302 490 2HG GLU 64 HG1 GLU 64 -27.779 -8.507 -21.587 491 H VAL 65 HN VAL 65 -25.133 -6.303 -25.042 492 HA VAL 65 HA VAL 65 -22.811 -4.720 -24.251 493 HB VAL 65 HB VAL 65 -24.136 -4.810 -26.966 494 1HG1 VAL 65 HG13 VAL 65 -21.464 -3.933 -25.918 495 2HG1 VAL 65 HG12 VAL 65 -21.621 -4.492 -27.586 496 3HG1 VAL 65 HG11 VAL 65 -22.560 -3.104 -27.027 497 1HG2 VAL 65 HG23 VAL 65 -22.186 -6.742 -25.728 498 2HG2 VAL 65 HG22 VAL 65 -23.732 -7.092 -26.504 499 3HG2 VAL 65 HG21 VAL 65 -22.360 -6.559 -27.473 500 H ALA 66 HN ALA 66 -22.711 -2.522 -24.124 501 HA ALA 66 HA ALA 66 -25.162 -0.941 -24.656 502 1HB ALA 66 HB2 ALA 66 -24.912 -1.338 -22.218 503 2HB ALA 66 HB1 ALA 66 -23.311 -0.610 -22.276 504 3HB ALA 66 HB3 ALA 66 -24.736 0.366 -22.636 505 H LEU 67 HN LEU 67 -24.014 -0.668 -26.680 506 HA LEU 67 HA LEU 67 -21.529 0.785 -26.798 507 1HB LEU 67 HB2 LEU 67 -22.920 -0.817 -28.545 508 2HB LEU 67 HB1 LEU 67 -23.218 0.782 -29.213 509 HG LEU 67 HG LEU 67 -20.678 1.135 -28.975 510 1HD1 LEU 67 HD11 LEU 67 -20.879 -1.853 -28.649 511 2HD1 LEU 67 HD13 LEU 67 -19.412 -1.049 -29.209 512 3HD1 LEU 67 HD12 LEU 67 -20.050 -0.699 -27.603 513 1HD2 LEU 67 HD21 LEU 67 -21.959 -0.708 -30.977 514 2HD2 LEU 67 HD23 LEU 67 -21.560 1.005 -31.154 515 3HD2 LEU 67 HD22 LEU 67 -20.275 -0.207 -31.118 516 H ASP 68 HN ASP 68 -24.960 1.611 -27.104 517 HA ASP 68 HA ASP 68 -24.555 4.303 -27.988 518 1HB ASP 68 HB2 ASP 68 -26.653 2.870 -28.248 519 2HB ASP 68 HB1 ASP 68 -27.023 3.298 -26.579 520 H TYR 69 HN TYR 69 -24.010 2.934 -24.948 521 HA TYR 69 HA TYR 69 -24.791 5.224 -23.337 522 1HB TYR 69 HB2 TYR 69 -24.378 2.573 -22.773 523 2HB TYR 69 HB1 TYR 69 -22.873 3.267 -22.211 524 HD1 TYR 69 HD1 TYR 69 -26.561 3.762 -21.993 525 HD2 TYR 69 HD2 TYR 69 -22.782 4.154 -20.040 526 HE1 TYR 69 HE1 TYR 69 -27.703 4.454 -19.923 527 HE2 TYR 69 HE2 TYR 69 -23.932 4.847 -17.965 528 HH TYR 69 HH TYR 69 -27.110 4.358 -17.368 529 H LYS 70 HN LYS 70 -23.650 6.742 -24.721 530 HA LYS 70 HA LYS 70 -20.810 6.751 -24.997 531 1HB LYS 70 HB2 LYS 70 -22.920 8.861 -25.437 532 2HB LYS 70 HB1 LYS 70 -21.207 9.130 -25.760 533 1HG LYS 70 HG2 LYS 70 -21.164 7.440 -27.441 534 2HG LYS 70 HG1 LYS 70 -22.751 6.835 -26.975 535 1HD LYS 70 HD2 LYS 70 -22.768 9.676 -27.683 536 2HD LYS 70 HD1 LYS 70 -22.229 8.648 -29.010 537 1HE LYS 70 HE2 LYS 70 -24.770 8.141 -27.430 538 2HE LYS 70 HE1 LYS 70 -24.724 9.099 -28.907 539 1HZ LYS 70 HZ3 LYS 70 -23.485 6.467 -29.038 540 2HZ LYS 70 HZ2 LYS 70 -25.186 6.500 -28.888 541 3HZ LYS 70 HZ1 LYS 70 -24.425 7.286 -30.195 542 H LYS 71 HN LYS 71 -19.908 6.566 -22.985 543 HA LYS 71 HA LYS 71 -20.056 8.937 -21.227 544 1HB LYS 71 HB2 LYS 71 -19.586 6.053 -20.448 545 2HB LYS 71 HB1 LYS 71 -19.455 7.429 -19.358 546 1HG LYS 71 HG2 LYS 71 -21.993 6.854 -20.882 547 2HG LYS 71 HG1 LYS 71 -21.643 6.084 -19.340 548 1HD LYS 71 HD2 LYS 71 -22.600 7.882 -18.383 549 2HD LYS 71 HD1 LYS 71 -21.124 8.745 -18.800 550 1HE LYS 71 HE2 LYS 71 -22.088 9.794 -20.632 551 2HE LYS 71 HE1 LYS 71 -23.312 8.546 -20.841 552 1HZ LYS 71 HZ3 LYS 71 -23.446 10.034 -18.349 553 2HZ LYS 71 HZ2 LYS 71 -23.789 10.925 -19.762 554 3HZ LYS 71 HZ1 LYS 71 -24.694 9.522 -19.387 555 H LYS 72 HN LYS 72 -18.018 6.128 -21.738 556 HA LYS 72 HA LYS 72 -15.752 7.719 -22.599 557 1HB LYS 72 HB2 LYS 72 -15.598 6.123 -20.027 558 2HB LYS 72 HB1 LYS 72 -14.220 6.802 -20.871 559 1HG LYS 72 HG2 LYS 72 -15.163 9.071 -20.546 560 2HG LYS 72 HG1 LYS 72 -16.498 8.361 -19.645 561 1HD LYS 72 HD2 LYS 72 -13.794 7.600 -18.726 562 2HD LYS 72 HD1 LYS 72 -14.244 9.287 -18.479 563 1HE LYS 72 HE2 LYS 72 -15.999 6.972 -17.638 564 2HE LYS 72 HE1 LYS 72 -14.804 7.700 -16.570 565 1HZ LYS 72 HZ2 LYS 72 -17.066 9.140 -17.856 566 2HZ LYS 72 HZ1 LYS 72 -17.020 8.621 -16.232 567 3HZ LYS 72 HZ3 LYS 72 -15.933 9.809 -16.771 568 H LYS 73 HN LYS 73 -16.257 6.448 -24.451 569 HA LYS 73 HA LYS 73 -15.478 4.949 -25.962 570 1HB LYS 73 HB2 LYS 73 -14.563 3.197 -23.656 571 2HB LYS 73 HB1 LYS 73 -14.265 2.913 -25.361 572 1HG LYS 73 HG2 LYS 73 -13.413 5.535 -24.232 573 2HG LYS 73 HG1 LYS 73 -12.473 4.107 -23.816 574 1HD LYS 73 HD2 LYS 73 -12.179 3.614 -26.218 575 2HD LYS 73 HD1 LYS 73 -13.128 5.040 -26.625 576 1HE LYS 73 HE2 LYS 73 -10.777 5.582 -26.833 577 2HE LYS 73 HE1 LYS 73 -11.434 6.441 -25.444 578 1HZ LYS 73 HZ2 LYS 73 -10.079 3.833 -25.172 579 2HZ LYS 73 HZ1 LYS 73 -9.223 5.307 -25.127 580 3HZ LYS 73 HZ3 LYS 73 -10.420 4.975 -23.955 581 H HIS 74 HN HIS 74 -15.984 2.157 -24.178 582 HA HIS 74 HA HIS 74 -18.795 1.904 -25.083 583 1HB HIS 74 HB2 HIS 74 -16.545 -0.089 -25.426 584 2HB HIS 74 HB1 HIS 74 -18.245 -0.509 -25.596 585 HD1 HIS 74 HD1 HIS 74 -18.478 2.567 -27.035 586 HD2 HIS 74 HD2 HIS 74 -16.468 -0.826 -28.270 587 HE1 HIS 74 HE1 HIS 74 -18.201 2.843 -29.509 588 H VAL 75 HN VAL 75 -20.161 0.661 -23.853 589 HA VAL 75 HA VAL 75 -19.150 -0.283 -21.233 590 HB VAL 75 HB VAL 75 -21.823 1.008 -21.795 591 1HG1 VAL 75 HG13 VAL 75 -20.438 0.143 -19.264 592 2HG1 VAL 75 HG12 VAL 75 -21.728 1.342 -19.255 593 3HG1 VAL 75 HG11 VAL 75 -22.050 -0.289 -19.839 594 1HG2 VAL 75 HG21 VAL 75 -19.210 2.222 -21.104 595 2HG2 VAL 75 HG23 VAL 75 -20.541 2.860 -22.071 596 3HG2 VAL 75 HG22 VAL 75 -20.646 2.870 -20.310 597 H PHE 76 HN PHE 76 -20.558 -1.925 -20.238 598 HA PHE 76 HA PHE 76 -22.420 -3.334 -21.965 599 1HB PHE 76 HB2 PHE 76 -21.358 -5.497 -21.776 600 2HB PHE 76 HB1 PHE 76 -20.291 -4.371 -22.586 601 HD1 PHE 76 HD1 PHE 76 -18.238 -3.578 -21.498 602 HD2 PHE 76 HD2 PHE 76 -20.784 -6.454 -19.626 603 HE1 PHE 76 HE1 PHE 76 -16.452 -4.114 -19.893 604 HE2 PHE 76 HE2 PHE 76 -18.988 -6.996 -18.027 605 HZ PHE 76 HZ PHE 76 -16.789 -5.954 -18.242 606 H LYS 77 HN LYS 77 -23.945 -4.419 -20.827 607 HA LYS 77 HA LYS 77 -24.034 -3.852 -17.955 608 1HB LYS 77 HB2 LYS 77 -26.233 -5.215 -19.481 609 2HB LYS 77 HB1 LYS 77 -26.342 -4.185 -18.061 610 1HG LYS 77 HG2 LYS 77 -25.286 -2.443 -19.876 611 2HG LYS 77 HG1 LYS 77 -26.263 -3.465 -20.927 612 1HD LYS 77 HD2 LYS 77 -27.363 -2.260 -18.386 613 2HD LYS 77 HD1 LYS 77 -27.387 -1.391 -19.918 614 1HE LYS 77 HE2 LYS 77 -29.050 -2.674 -20.774 615 2HE LYS 77 HE1 LYS 77 -28.445 -4.152 -20.031 616 1HZ LYS 77 HZ3 LYS 77 -29.470 -2.243 -18.128 617 2HZ LYS 77 HZ2 LYS 77 -30.644 -2.792 -19.243 618 3HZ LYS 77 HZ1 LYS 77 -29.783 -3.912 -18.283 619 H LEU 78 HN LEU 78 -24.154 -5.370 -16.395 620 HA LEU 78 HA LEU 78 -23.943 -8.230 -17.117 621 1HB LEU 78 HB2 LEU 78 -21.849 -6.708 -16.118 622 2HB LEU 78 HB1 LEU 78 -22.484 -7.495 -14.684 623 HG LEU 78 HG LEU 78 -21.428 -8.759 -17.210 624 1HD1 LEU 78 HD21 LEU 78 -20.611 -8.871 -14.313 625 2HD1 LEU 78 HD23 LEU 78 -19.967 -9.950 -15.551 626 3HD1 LEU 78 HD22 LEU 78 -19.700 -8.211 -15.675 627 1HD2 LEU 78 HD11 LEU 78 -23.320 -9.876 -15.230 628 2HD2 LEU 78 HD13 LEU 78 -23.053 -10.303 -16.922 629 3HD2 LEU 78 HD12 LEU 78 -21.960 -10.908 -15.679 630 H ARG 79 HN ARG 79 -25.749 -9.076 -16.398 631 HA ARG 79 HA ARG 79 -26.985 -8.106 -13.895 632 1HB ARG 79 HB2 ARG 79 -28.322 -8.048 -16.009 633 2HB ARG 79 HB1 ARG 79 -28.202 -9.797 -16.083 634 1HG ARG 79 HG2 ARG 79 -29.093 -8.993 -13.465 635 2HG ARG 79 HG1 ARG 79 -30.106 -8.237 -14.690 636 1HD ARG 79 HD2 ARG 79 -29.785 -10.906 -15.532 637 2HD ARG 79 HD1 ARG 79 -30.045 -10.999 -13.795 638 HE ARG 79 HE ARG 79 -31.940 -9.982 -15.808 639 1HH1 ARG 79 HH21 ARG 79 -32.487 -8.134 -13.693 640 2HH1 ARG 79 HH22 ARG 79 -33.486 -8.991 -12.553 641 1HH2 ARG 79 HH11 ARG 79 -32.624 -12.166 -13.850 642 2HH2 ARG 79 HH12 ARG 79 -33.575 -11.320 -12.656 643 H LEU 80 HN LEU 80 -26.459 -9.265 -12.192 644 HA LEU 80 HA LEU 80 -25.370 -11.921 -12.335 645 1HB LEU 80 HB2 LEU 80 -26.229 -10.329 -9.910 646 2HB LEU 80 HB1 LEU 80 -25.162 -11.730 -9.926 647 HG LEU 80 HG LEU 80 -24.607 -9.047 -11.212 648 1HD1 LEU 80 HD13 LEU 80 -23.498 -10.369 -8.737 649 2HD1 LEU 80 HD12 LEU 80 -22.786 -8.945 -9.496 650 3HD1 LEU 80 HD11 LEU 80 -24.417 -8.867 -8.832 651 1HD2 LEU 80 HD23 LEU 80 -23.150 -11.662 -11.284 652 2HD2 LEU 80 HD22 LEU 80 -23.435 -10.500 -12.580 653 3HD2 LEU 80 HD21 LEU 80 -22.236 -10.151 -11.332 654 H SER 81 HN SER 81 -26.268 -13.834 -11.614 655 HA SER 81 HA SER 81 -29.156 -14.077 -11.716 656 1HB SER 81 HB2 SER 81 -28.402 -16.573 -11.206 657 2HB SER 81 HB1 SER 81 -28.167 -15.860 -12.797 658 HG SER 81 HG SER 81 -26.225 -16.809 -12.173 659 H ASP 82 HN ASP 82 -28.293 -12.497 -9.587 660 HA ASP 82 HA ASP 82 -29.077 -14.082 -7.202 661 1HB ASP 82 HB2 ASP 82 -26.707 -13.493 -7.043 662 2HB ASP 82 HB1 ASP 82 -27.075 -11.804 -7.378 663 H GLY 83 HN GLY 83 -28.772 -10.738 -8.403 664 1HA GLY 83 HA2 GLY 83 -31.237 -9.813 -8.658 665 2HA GLY 83 HA1 GLY 83 -31.132 -9.891 -6.898 666 H ASN 84 HN ASN 84 -28.822 -8.966 -9.468 667 HA ASN 84 HA ASN 84 -28.744 -6.183 -8.621 668 1HB ASN 84 HB2 ASN 84 -26.399 -8.070 -8.243 669 2HB ASN 84 HB1 ASN 84 -26.175 -6.334 -8.443 670 1HD2 ASN 84 HD22 ASN 84 -26.698 -7.627 -4.815 671 2HD2 ASN 84 HD21 ASN 84 -25.982 -8.453 -6.162 672 H GLU 85 HN GLU 85 -27.759 -4.868 -10.223 673 HA GLU 85 HA GLU 85 -26.746 -6.159 -12.652 674 1HB GLU 85 HB2 GLU 85 -28.654 -5.809 -13.835 675 2HB GLU 85 HB1 GLU 85 -29.415 -5.134 -12.401 676 1HG GLU 85 HG2 GLU 85 -28.595 -2.912 -12.965 677 2HG GLU 85 HG1 GLU 85 -27.761 -3.557 -14.379 678 H TYR 86 HN TYR 86 -25.042 -5.110 -13.450 679 HA TYR 86 HA TYR 86 -24.540 -2.303 -12.611 680 1HB TYR 86 HB2 TYR 86 -22.484 -4.517 -12.757 681 2HB TYR 86 HB1 TYR 86 -22.193 -2.849 -12.289 682 HD1 TYR 86 HD1 TYR 86 -23.066 -1.984 -10.129 683 HD2 TYR 86 HD2 TYR 86 -23.339 -6.102 -11.220 684 HE1 TYR 86 HE1 TYR 86 -23.535 -2.576 -7.783 685 HE2 TYR 86 HE2 TYR 86 -23.788 -6.688 -8.879 686 HH TYR 86 HH TYR 86 -23.650 -5.916 -6.714 687 H LEU 87 HN LEU 87 -23.175 -1.096 -13.958 688 HA LEU 87 HA LEU 87 -23.025 -1.971 -16.789 689 1HB LEU 87 HB2 LEU 87 -22.824 0.819 -15.599 690 2HB LEU 87 HB1 LEU 87 -22.698 0.423 -17.307 691 HG LEU 87 HG LEU 87 -25.101 0.161 -15.538 692 1HD1 LEU 87 HD12 LEU 87 -24.452 1.841 -17.958 693 2HD1 LEU 87 HD11 LEU 87 -26.080 1.680 -17.294 694 3HD1 LEU 87 HD13 LEU 87 -24.798 2.398 -16.318 695 1HD2 LEU 87 HD22 LEU 87 -24.589 -0.932 -18.288 696 2HD2 LEU 87 HD21 LEU 87 -25.257 -1.759 -16.880 697 3HD2 LEU 87 HD23 LEU 87 -26.221 -0.554 -17.733 698 H PHE 88 HN PHE 88 -21.057 -2.659 -17.379 699 HA PHE 88 HA PHE 88 -18.688 -1.684 -15.905 700 1HB PHE 88 HB2 PHE 88 -19.257 -4.258 -17.343 701 2HB PHE 88 HB1 PHE 88 -17.606 -3.734 -17.022 702 HD1 PHE 88 HD1 PHE 88 -16.987 -3.169 -14.611 703 HD2 PHE 88 HD2 PHE 88 -20.474 -5.361 -15.679 704 HE1 PHE 88 HE1 PHE 88 -17.135 -4.042 -12.319 705 HE2 PHE 88 HE2 PHE 88 -20.628 -6.252 -13.386 706 HZ PHE 88 HZ PHE 88 -18.961 -5.583 -11.702 707 H GLN 89 HN GLN 89 -17.398 -0.349 -16.924 708 HA GLN 89 HA GLN 89 -17.583 -0.105 -19.867 709 1HB GLN 89 HB2 GLN 89 -18.219 1.975 -19.271 710 2HB GLN 89 HB1 GLN 89 -17.503 1.862 -17.678 711 1HG GLN 89 HG2 GLN 89 -15.264 2.270 -18.686 712 2HG GLN 89 HG1 GLN 89 -16.057 2.509 -20.250 713 1HE2 GLN 89 HE22 GLN 89 -17.744 5.517 -19.108 714 2HE2 GLN 89 HE21 GLN 89 -18.055 4.058 -19.987 715 H ALA 90 HN ALA 90 -15.849 -0.319 -21.066 716 HA ALA 90 HA ALA 90 -13.261 -0.977 -19.778 717 1HB ALA 90 HB2 ALA 90 -14.610 -2.599 -21.359 718 2HB ALA 90 HB1 ALA 90 -13.905 -1.614 -22.641 719 3HB ALA 90 HB3 ALA 90 -12.863 -2.471 -21.505 720 H LYS 91 HN LYS 91 -11.361 -0.517 -21.392 721 HA LYS 91 HA LYS 91 -11.529 2.350 -22.081 722 1HB LYS 91 HB2 LYS 91 -9.081 0.588 -21.958 723 2HB LYS 91 HB1 LYS 91 -9.127 2.344 -22.056 724 1HG LYS 91 HG2 LYS 91 -9.126 2.442 -19.823 725 2HG LYS 91 HG1 LYS 91 -10.692 1.646 -19.808 726 1HD LYS 91 HD2 LYS 91 -8.898 -0.438 -20.232 727 2HD LYS 91 HD1 LYS 91 -8.064 0.595 -19.085 728 1HE LYS 91 HE2 LYS 91 -9.740 0.343 -17.459 729 2HE LYS 91 HE1 LYS 91 -10.930 -0.195 -18.642 730 1HZ LYS 91 HZ1 LYS 91 -8.511 -1.734 -17.871 731 2HZ LYS 91 HZ3 LYS 91 -10.073 -2.008 -17.252 732 3HZ LYS 91 HZ2 LYS 91 -9.766 -2.256 -18.906 733 H ASP 92 HN ASP 92 -11.376 -0.750 -23.612 734 HA ASP 92 HA ASP 92 -11.217 0.568 -26.241 735 1HB ASP 92 HB2 ASP 92 -9.095 -0.999 -25.129 736 2HB ASP 92 HB1 ASP 92 -9.815 -1.941 -26.432 737 H ASP 93 HN ASP 93 -11.852 -0.890 -28.012 738 HA ASP 93 HA ASP 93 -14.379 -2.105 -27.510 739 1HB ASP 93 HB2 ASP 93 -13.724 -1.003 -29.647 740 2HB ASP 93 HB1 ASP 93 -12.618 -2.333 -29.969 741 H GLU 94 HN GLU 94 -11.176 -3.449 -28.309 742 HA GLU 94 HA GLU 94 -11.885 -6.183 -28.374 743 1HB GLU 94 HB2 GLU 94 -9.314 -4.709 -27.878 744 2HB GLU 94 HB1 GLU 94 -9.383 -6.465 -27.740 745 1HG GLU 94 HG2 GLU 94 -9.966 -6.746 -30.008 746 2HG GLU 94 HG1 GLU 94 -10.416 -5.051 -30.190 747 H GLU 95 HN GLU 95 -10.868 -4.099 -25.692 748 HA GLU 95 HA GLU 95 -10.650 -6.090 -23.699 749 1HB GLU 95 HB2 GLU 95 -9.998 -3.528 -23.689 750 2HB GLU 95 HB1 GLU 95 -11.610 -3.337 -23.010 751 1HG GLU 95 HG2 GLU 95 -10.792 -5.315 -21.429 752 2HG GLU 95 HG1 GLU 95 -9.197 -4.706 -21.865 753 H MET 96 HN MET 96 -13.355 -3.958 -24.611 754 HA MET 96 HA MET 96 -15.284 -4.889 -22.779 755 1HB MET 96 HB2 MET 96 -15.605 -2.838 -24.060 756 2HB MET 96 HB1 MET 96 -15.627 -3.743 -25.570 757 1HG MET 96 HG2 MET 96 -17.590 -4.590 -23.516 758 2HG MET 96 HG1 MET 96 -17.852 -3.001 -24.216 759 1HE MET 96 HE3 MET 96 -17.297 -2.681 -26.709 760 2HE MET 96 HE2 MET 96 -17.841 -3.762 -27.987 761 3HE MET 96 HE1 MET 96 -19.027 -2.869 -27.039 762 H ASN 97 HN ASN 97 -14.543 -5.923 -26.095 763 HA ASN 97 HA ASN 97 -16.501 -7.943 -26.371 764 1HB ASN 97 HB2 ASN 97 -14.979 -6.841 -28.152 765 2HB ASN 97 HB1 ASN 97 -13.779 -8.038 -27.681 766 1HD2 ASN 97 HD22 ASN 97 -15.743 -9.349 -30.555 767 2HD2 ASN 97 HD21 ASN 97 -14.772 -7.936 -30.246 768 H THR 98 HN THR 98 -13.114 -8.108 -25.243 769 HA THR 98 HA THR 98 -13.046 -10.924 -24.863 770 HB THR 98 HB THR 98 -11.386 -8.819 -23.457 771 HG1 THR 98 HG1 THR 98 -11.217 -8.592 -25.711 772 1HG2 THR 98 HG23 THR 98 -10.856 -11.743 -24.024 773 2HG2 THR 98 HG22 THR 98 -9.696 -10.613 -23.326 774 3HG2 THR 98 HG21 THR 98 -11.161 -11.029 -22.442 775 H TRP 99 HN TRP 99 -13.801 -8.244 -22.615 776 HA TRP 99 HA TRP 99 -14.025 -9.724 -20.232 777 1HB TRP 99 HB2 TRP 99 -15.168 -7.132 -21.212 778 2HB TRP 99 HB1 TRP 99 -15.807 -7.817 -19.728 779 HD1 TRP 99 HD1 TRP 99 -13.238 -5.456 -20.803 780 HE1 TRP 99 HE1 TRP 99 -11.476 -5.116 -18.989 781 HE3 TRP 99 HE3 TRP 99 -14.312 -9.451 -17.757 782 HZ2 TRP 99 HZ2 TRP 99 -10.640 -6.323 -16.598 783 HZ3 TRP 99 HZ3 TRP 99 -12.982 -9.784 -15.712 784 HH2 TRP 99 HH2 TRP 99 -11.164 -8.231 -15.136 785 H ILE 100 HN ILE 100 -16.572 -8.857 -22.573 786 HA ILE 100 HA ILE 100 -18.721 -10.158 -21.281 787 HB ILE 100 HB ILE 100 -18.292 -9.498 -24.203 788 1HG1 ILE 100 HG12 ILE 100 -19.943 -8.055 -22.124 789 2HG1 ILE 100 HG11 ILE 100 -18.303 -7.594 -22.558 790 1HG2 ILE 100 HG21 ILE 100 -20.780 -10.407 -22.754 791 2HG2 ILE 100 HG23 ILE 100 -20.807 -9.602 -24.321 792 3HG2 ILE 100 HG22 ILE 100 -20.005 -11.162 -24.148 793 1HD1 ILE 100 HD12 ILE 100 -19.136 -7.449 -24.963 794 2HD1 ILE 100 HD11 ILE 100 -20.765 -7.555 -24.291 795 3HD1 ILE 100 HD13 ILE 100 -19.716 -6.207 -23.853 796 H GLN 101 HN GLN 101 -16.572 -11.299 -23.908 797 HA GLN 101 HA GLN 101 -17.747 -13.868 -24.191 798 1HB GLN 101 HB2 GLN 101 -14.989 -12.830 -24.861 799 2HB GLN 101 HB1 GLN 101 -15.526 -14.461 -25.260 800 1HG GLN 101 HG2 GLN 101 -16.880 -11.907 -26.183 801 2HG GLN 101 HG1 GLN 101 -15.790 -12.885 -27.161 802 1HE2 GLN 101 HE22 GLN 101 -19.607 -13.731 -27.337 803 2HE2 GLN 101 HE21 GLN 101 -18.858 -12.199 -26.986 804 H ALA 102 HN ALA 102 -15.234 -12.635 -22.057 805 HA ALA 102 HA ALA 102 -14.325 -15.149 -21.067 806 1HB ALA 102 HB3 ALA 102 -14.180 -12.351 -19.918 807 2HB ALA 102 HB2 ALA 102 -13.406 -13.754 -19.177 808 3HB ALA 102 HB1 ALA 102 -12.916 -13.226 -20.788 809 H ILE 103 HN ILE 103 -16.635 -12.745 -19.763 810 HA ILE 103 HA ILE 103 -17.351 -14.185 -17.432 811 HB ILE 103 HB ILE 103 -18.814 -12.091 -19.054 812 1HG1 ILE 103 HG12 ILE 103 -17.731 -11.683 -16.293 813 2HG1 ILE 103 HG11 ILE 103 -16.606 -11.712 -17.646 814 1HG2 ILE 103 HG23 ILE 103 -19.733 -13.610 -16.657 815 2HG2 ILE 103 HG22 ILE 103 -20.044 -11.876 -16.692 816 3HG2 ILE 103 HG21 ILE 103 -20.665 -12.901 -17.981 817 1HD1 ILE 103 HD12 ILE 103 -18.890 -10.037 -18.261 818 2HD1 ILE 103 HD11 ILE 103 -18.103 -9.523 -16.770 819 3HD1 ILE 103 HD13 ILE 103 -17.172 -9.633 -18.259 820 H SER 104 HN SER 104 -18.638 -14.281 -20.722 821 HA SER 104 HA SER 104 -20.858 -16.005 -20.097 822 1HB SER 104 HB2 SER 104 -19.584 -15.513 -22.795 823 2HB SER 104 HB1 SER 104 -21.214 -16.109 -22.475 824 HG SER 104 HG SER 104 -20.158 -13.506 -22.059 825 H SER 105 HN SER 105 -17.537 -16.583 -20.340 826 HA SER 105 HA SER 105 -17.921 -19.441 -21.045 827 1HB SER 105 HB2 SER 105 -15.447 -17.702 -21.210 828 2HB SER 105 HB1 SER 105 -15.495 -19.426 -21.575 829 HG SER 105 HG SER 105 -16.315 -17.278 -23.089 830 H ALA 106 HN ALA 106 -15.583 -17.530 -19.131 831 HA ALA 106 HA ALA 106 -16.112 -18.463 -16.586 832 1HB ALA 106 HB3 ALA 106 -14.524 -20.374 -18.240 833 2HB ALA 106 HB2 ALA 106 -13.962 -20.083 -16.594 834 3HB ALA 106 HB1 ALA 106 -15.594 -20.689 -16.871 No H/Q in entry = 834 Start of MODEL 25 1 1H MET 1 HT1 MET 1 -10.430 -10.971 -18.141 2 2H MET 1 HT3 MET 1 -8.876 -11.622 -17.895 3 3H MET 1 HT2 MET 1 -10.058 -12.528 -18.731 4 HA MET 1 HA MET 1 -11.395 -12.690 -16.762 5 1HB MET 1 HB2 MET 1 -8.545 -13.622 -16.643 6 2HB MET 1 HB1 MET 1 -9.593 -13.894 -15.255 7 1HG MET 1 HG2 MET 1 -10.215 -14.766 -18.073 8 2HG MET 1 HG1 MET 1 -9.535 -15.805 -16.834 9 1HE MET 1 HE3 MET 1 -12.343 -15.826 -18.698 10 2HE MET 1 HE2 MET 1 -11.895 -17.278 -17.808 11 3HE MET 1 HE1 MET 1 -13.499 -16.583 -17.592 12 H GLU 2 HN GLU 2 -8.318 -10.987 -16.073 13 HA GLU 2 HA GLU 2 -9.663 -9.622 -13.802 14 1HB GLU 2 HB2 GLU 2 -6.723 -10.285 -13.823 15 2HB GLU 2 HB1 GLU 2 -7.720 -9.770 -12.472 16 1HG GLU 2 HG2 GLU 2 -7.795 -11.958 -11.929 17 2HG GLU 2 HG1 GLU 2 -8.984 -12.094 -13.219 18 H GLY 3 HN GLY 3 -9.161 -7.494 -13.464 19 1HA GLY 3 HA2 GLY 3 -7.156 -5.897 -14.289 20 2HA GLY 3 HA1 GLY 3 -8.153 -5.964 -15.711 21 H PHE 4 HN PHE 4 -8.158 -3.548 -15.100 22 HA PHE 4 HA PHE 4 -9.978 -2.821 -12.937 23 1HB PHE 4 HB2 PHE 4 -8.277 -1.298 -14.872 24 2HB PHE 4 HB1 PHE 4 -9.580 -0.478 -14.027 25 HD1 PHE 4 HD1 PHE 4 -9.650 -0.641 -11.487 26 HD2 PHE 4 HD2 PHE 4 -6.198 -1.628 -13.805 27 HE1 PHE 4 HE1 PHE 4 -8.237 -0.393 -9.489 28 HE2 PHE 4 HE2 PHE 4 -4.786 -1.368 -11.805 29 HZ PHE 4 HZ PHE 4 -5.804 -0.747 -9.646 30 H LEU 5 HN LEU 5 -11.935 -1.775 -13.190 31 HA LEU 5 HA LEU 5 -13.164 -1.530 -15.830 32 1HB LEU 5 HB2 LEU 5 -13.855 -3.646 -13.848 33 2HB LEU 5 HB1 LEU 5 -15.205 -2.814 -14.607 34 HG LEU 5 HG LEU 5 -12.977 -4.239 -16.063 35 1HD1 LEU 5 HD13 LEU 5 -15.776 -5.028 -15.333 36 2HD1 LEU 5 HD12 LEU 5 -14.985 -5.709 -16.751 37 3HD1 LEU 5 HD11 LEU 5 -14.277 -5.941 -15.153 38 1HD2 LEU 5 HD23 LEU 5 -15.274 -2.572 -16.994 39 2HD2 LEU 5 HD22 LEU 5 -13.619 -2.650 -17.607 40 3HD2 LEU 5 HD21 LEU 5 -14.758 -3.950 -17.974 41 H ASN 6 HN ASN 6 -14.835 -0.057 -15.848 42 HA ASN 6 HA ASN 6 -15.166 1.631 -13.476 43 1HB ASN 6 HB2 ASN 6 -16.475 1.893 -16.180 44 2HB ASN 6 HB1 ASN 6 -16.482 3.083 -14.904 45 1HD2 ASN 6 HD22 ASN 6 -13.626 4.636 -16.083 46 2HD2 ASN 6 HD21 ASN 6 -15.163 4.712 -15.267 47 H ARG 7 HN ARG 7 -16.635 1.020 -11.994 48 HA ARG 7 HA ARG 7 -18.873 -0.706 -12.873 49 1HB ARG 7 HB2 ARG 7 -17.311 -1.581 -11.152 50 2HB ARG 7 HB1 ARG 7 -17.758 -0.247 -10.090 51 1HG ARG 7 HG2 ARG 7 -19.971 -1.053 -9.834 52 2HG ARG 7 HG1 ARG 7 -19.821 -2.142 -11.211 53 1HD ARG 7 HD2 ARG 7 -19.103 -3.797 -9.875 54 2HD ARG 7 HD1 ARG 7 -17.784 -2.789 -9.290 55 HE ARG 7 HE ARG 7 -20.039 -1.935 -7.898 56 1HH1 ARG 7 HH11 ARG 7 -20.681 -4.970 -8.114 57 2HH1 ARG 7 HH12 ARG 7 -20.002 -5.562 -6.626 58 1HH2 ARG 7 HH21 ARG 7 -18.066 -2.689 -6.051 59 2HH2 ARG 7 HH22 ARG 7 -18.475 -4.283 -5.491 60 H LYS 8 HN LYS 8 -20.831 0.064 -12.938 61 HA LYS 8 HA LYS 8 -21.719 2.216 -11.127 62 1HB LYS 8 HB2 LYS 8 -21.231 3.283 -13.271 63 2HB LYS 8 HB1 LYS 8 -22.242 2.124 -14.113 64 1HG LYS 8 HG2 LYS 8 -23.688 3.423 -11.938 65 2HG LYS 8 HG1 LYS 8 -23.026 4.600 -13.066 66 1HD LYS 8 HD2 LYS 8 -24.312 3.861 -14.828 67 2HD LYS 8 HD1 LYS 8 -24.443 2.223 -14.190 68 1HE LYS 8 HE2 LYS 8 -26.229 2.735 -12.835 69 2HE LYS 8 HE1 LYS 8 -25.719 4.407 -12.610 70 1HZ LYS 8 HZ3 LYS 8 -26.498 3.712 -15.314 71 2HZ LYS 8 HZ2 LYS 8 -27.755 3.662 -14.164 72 3HZ LYS 8 HZ1 LYS 8 -26.858 5.094 -14.397 73 H HIS 9 HN HIS 9 -23.053 1.065 -9.907 74 HA HIS 9 HA HIS 9 -24.575 -1.134 -10.965 75 1HB HIS 9 HB2 HIS 9 -25.475 -1.288 -8.620 76 2HB HIS 9 HB1 HIS 9 -23.739 -1.481 -8.793 77 HD1 HIS 9 HD1 HIS 9 -24.192 -0.906 -6.102 78 HD2 HIS 9 HD2 HIS 9 -24.320 2.241 -8.794 79 HE1 HIS 9 HE1 HIS 9 -23.818 1.140 -4.731 80 H GLU 10 HN GLU 10 -26.505 -1.081 -11.804 81 HA GLU 10 HA GLU 10 -28.117 1.341 -11.800 82 1HB GLU 10 HB2 GLU 10 -28.024 -1.231 -13.312 83 2HB GLU 10 HB1 GLU 10 -29.595 -0.469 -13.160 84 1HG GLU 10 HG2 GLU 10 -27.218 1.125 -14.076 85 2HG GLU 10 HG1 GLU 10 -28.110 0.112 -15.210 86 H TRP 11 HN TRP 11 -28.510 -2.067 -10.986 87 HA TRP 11 HA TRP 11 -30.522 -1.390 -8.925 88 1HB TRP 11 HB2 TRP 11 -31.550 -2.324 -10.991 89 2HB TRP 11 HB1 TRP 11 -30.525 -3.734 -10.837 90 HD1 TRP 11 HD1 TRP 11 -33.385 -2.006 -8.794 91 HE1 TRP 11 HE1 TRP 11 -34.660 -3.870 -7.600 92 HE3 TRP 11 HE3 TRP 11 -30.523 -6.034 -10.130 93 HZ2 TRP 11 HZ2 TRP 11 -34.500 -6.662 -7.241 94 HZ3 TRP 11 HZ3 TRP 11 -31.137 -8.271 -9.329 95 HH2 TRP 11 HH2 TRP 11 -33.099 -8.586 -7.897 96 H GLU 12 HN GLU 12 -29.518 -1.781 -7.070 97 HA GLU 12 HA GLU 12 -28.239 -4.376 -6.602 98 1HB GLU 12 HB2 GLU 12 -26.429 -2.711 -7.154 99 2HB GLU 12 HB1 GLU 12 -26.924 -1.781 -5.743 100 1HG GLU 12 HG2 GLU 12 -26.402 -3.662 -4.277 101 2HG GLU 12 HG1 GLU 12 -26.014 -4.672 -5.669 102 H ALA 13 HN ALA 13 -30.384 -4.561 -5.660 103 HA ALA 13 HA ALA 13 -30.393 -4.428 -2.861 104 1HB ALA 13 HB2 ALA 13 -31.705 -2.121 -4.277 105 2HB ALA 13 HB1 ALA 13 -32.401 -2.725 -2.772 106 3HB ALA 13 HB3 ALA 13 -30.746 -2.117 -2.796 107 H HIS 14 HN HIS 14 -32.726 -4.854 -2.040 108 HA HIS 14 HA HIS 14 -33.742 -7.124 -3.414 109 1HB HIS 14 HB2 HIS 14 -35.041 -5.488 -1.222 110 2HB HIS 14 HB1 HIS 14 -35.528 -7.102 -1.725 111 HD1 HIS 14 HD1 HIS 14 -32.849 -8.531 -1.834 112 HD2 HIS 14 HD2 HIS 14 -33.878 -5.949 1.240 113 HE1 HIS 14 HE1 HIS 14 -31.369 -9.175 0.081 114 H ASN 15 HN ASN 15 -34.838 -3.749 -3.261 115 HA ASN 15 HA ASN 15 -36.195 -3.963 -5.790 116 1HB ASN 15 HB2 ASN 15 -37.831 -4.962 -4.048 117 2HB ASN 15 HB1 ASN 15 -38.015 -3.313 -3.462 118 1HD2 ASN 15 HD22 ASN 15 -39.397 -4.316 -7.205 119 2HD2 ASN 15 HD21 ASN 15 -38.119 -5.225 -6.462 120 H LYS 16 HN LYS 16 -34.159 -2.368 -5.300 121 HA LYS 16 HA LYS 16 -35.294 0.328 -5.394 122 1HB LYS 16 HB2 LYS 16 -33.393 -0.631 -3.269 123 2HB LYS 16 HB1 LYS 16 -33.325 1.040 -3.815 124 1HG LYS 16 HG2 LYS 16 -35.917 0.991 -3.355 125 2HG LYS 16 HG1 LYS 16 -35.506 -0.387 -2.333 126 1HD LYS 16 HD2 LYS 16 -34.076 0.927 -0.956 127 2HD LYS 16 HD1 LYS 16 -34.059 2.257 -2.113 128 1HE LYS 16 HE2 LYS 16 -35.477 2.848 -0.241 129 2HE LYS 16 HE1 LYS 16 -36.471 2.638 -1.680 130 1HZ LYS 16 HZ2 LYS 16 -36.064 0.414 0.220 131 2HZ LYS 16 HZ1 LYS 16 -37.254 1.611 0.491 132 3HZ LYS 16 HZ3 LYS 16 -37.320 0.648 -0.910 133 H LYS 17 HN LYS 17 -33.815 1.900 -6.262 134 HA LYS 17 HA LYS 17 -31.892 0.754 -8.157 135 1HB LYS 17 HB2 LYS 17 -33.414 3.271 -7.920 136 2HB LYS 17 HB1 LYS 17 -31.754 3.494 -8.457 137 1HG LYS 17 HG2 LYS 17 -33.122 3.222 -10.393 138 2HG LYS 17 HG1 LYS 17 -32.144 1.769 -10.213 139 1HD LYS 17 HD2 LYS 17 -34.098 0.661 -9.107 140 2HD LYS 17 HD1 LYS 17 -35.063 2.093 -9.465 141 1HE LYS 17 HE2 LYS 17 -33.824 0.143 -11.409 142 2HE LYS 17 HE1 LYS 17 -35.529 0.532 -11.199 143 1HZ LYS 17 HZ3 LYS 17 -34.604 2.927 -11.808 144 2HZ LYS 17 HZ2 LYS 17 -33.453 1.977 -12.637 145 3HZ LYS 17 HZ1 LYS 17 -35.113 1.811 -12.986 146 H ALA 18 HN ALA 18 -29.689 1.334 -8.187 147 HA ALA 18 HA ALA 18 -28.624 2.127 -5.546 148 1HB ALA 18 HB1 ALA 18 -28.059 -0.116 -6.548 149 2HB ALA 18 HB3 ALA 18 -27.133 0.751 -7.773 150 3HB ALA 18 HB2 ALA 18 -26.680 0.876 -6.070 151 H SER 19 HN SER 19 -27.483 3.888 -5.257 152 HA SER 19 HA SER 19 -26.191 5.298 -7.503 153 1HB SER 19 HB2 SER 19 -27.865 6.793 -5.476 154 2HB SER 19 HB1 SER 19 -27.173 7.397 -6.981 155 HG SER 19 HG SER 19 -29.286 5.497 -6.718 156 H SER 20 HN SER 20 -25.385 3.653 -5.107 157 HA SER 20 HA SER 20 -24.147 5.471 -3.232 158 1HB SER 20 HB2 SER 20 -23.283 2.619 -3.375 159 2HB SER 20 HB1 SER 20 -23.652 3.618 -1.976 160 HG SER 20 HG SER 20 -25.222 1.811 -3.036 161 H ARG 21 HN ARG 21 -23.046 3.443 -5.921 162 HA ARG 21 HA ARG 21 -20.513 4.968 -6.040 163 1HB ARG 21 HB2 ARG 21 -20.855 1.963 -6.209 164 2HB ARG 21 HB1 ARG 21 -19.413 2.805 -6.769 165 1HG ARG 21 HG2 ARG 21 -20.441 3.172 -3.965 166 2HG ARG 21 HG1 ARG 21 -19.396 1.819 -4.386 167 1HD ARG 21 HD2 ARG 21 -17.553 3.157 -4.721 168 2HD ARG 21 HD1 ARG 21 -18.520 4.543 -5.230 169 HE ARG 21 HE ARG 21 -19.189 4.348 -2.623 170 1HH1 ARG 21 HH11 ARG 21 -17.182 3.283 -1.220 171 2HH1 ARG 21 HH12 ARG 21 -15.840 4.406 -1.188 172 1HH2 ARG 21 HH21 ARG 21 -16.987 6.239 -3.980 173 2HH2 ARG 21 HH22 ARG 21 -15.730 6.100 -2.775 174 H SER 22 HN SER 22 -21.826 6.140 -7.622 175 HA SER 22 HA SER 22 -22.584 4.808 -10.099 176 1HB SER 22 HB2 SER 22 -22.479 7.793 -9.672 177 2HB SER 22 HB1 SER 22 -23.553 6.859 -10.712 178 HG SER 22 HG SER 22 -23.566 6.950 -7.856 179 H TRP 23 HN TRP 23 -20.909 4.128 -11.276 180 HA TRP 23 HA TRP 23 -19.073 4.066 -12.583 181 1HB TRP 23 HB2 TRP 23 -19.662 7.024 -12.705 182 2HB TRP 23 HB1 TRP 23 -18.271 6.340 -13.532 183 HD1 TRP 23 HD1 TRP 23 -21.565 7.376 -14.454 184 HE1 TRP 23 HE1 TRP 23 -22.531 5.990 -16.366 185 HE3 TRP 23 HE3 TRP 23 -18.353 3.399 -14.374 186 HZ2 TRP 23 HZ2 TRP 23 -22.025 3.545 -17.702 187 HZ3 TRP 23 HZ3 TRP 23 -18.629 1.584 -15.975 188 HH2 TRP 23 HH2 TRP 23 -20.449 1.642 -17.637 189 H HIS 24 HN HIS 24 -17.968 3.214 -10.823 190 HA HIS 24 HA HIS 24 -15.866 4.963 -9.684 191 1HB HIS 24 HB2 HIS 24 -17.649 4.064 -8.092 192 2HB HIS 24 HB1 HIS 24 -17.021 2.454 -8.432 193 HD1 HIS 24 HD1 HIS 24 -16.151 5.642 -6.690 194 HD2 HIS 24 HD2 HIS 24 -14.588 1.856 -7.211 195 HE1 HIS 24 HE1 HIS 24 -14.297 5.485 -5.021 196 H ASN 25 HN ASN 25 -13.805 4.309 -10.044 197 HA ASN 25 HA ASN 25 -13.305 2.097 -11.854 198 1HB ASN 25 HB2 ASN 25 -12.028 4.199 -12.013 199 2HB ASN 25 HB1 ASN 25 -11.388 3.944 -10.391 200 1HD2 ASN 25 HD22 ASN 25 -8.686 2.100 -11.578 201 2HD2 ASN 25 HD21 ASN 25 -9.382 3.162 -10.386 202 H VAL 26 HN VAL 26 -13.275 0.062 -11.119 203 HA VAL 26 HA VAL 26 -11.891 -0.537 -8.574 204 HB VAL 26 HB VAL 26 -14.489 -0.474 -8.488 205 1HG1 VAL 26 HG12 VAL 26 -14.768 -1.821 -10.587 206 2HG1 VAL 26 HG11 VAL 26 -14.182 -3.226 -9.689 207 3HG1 VAL 26 HG13 VAL 26 -15.668 -2.419 -9.194 208 1HG2 VAL 26 HG21 VAL 26 -12.779 -1.555 -6.854 209 2HG2 VAL 26 HG23 VAL 26 -14.493 -1.956 -6.727 210 3HG2 VAL 26 HG22 VAL 26 -13.380 -3.077 -7.519 211 H TYR 27 HN TYR 27 -11.237 -2.813 -8.419 212 HA TYR 27 HA TYR 27 -10.380 -3.845 -11.041 213 1HB TYR 27 HB2 TYR 27 -8.755 -3.300 -9.147 214 2HB TYR 27 HB1 TYR 27 -9.381 -4.727 -8.340 215 HD1 TYR 27 HD1 TYR 27 -7.789 -3.596 -11.510 216 HD2 TYR 27 HD2 TYR 27 -8.535 -6.847 -8.848 217 HE1 TYR 27 HE1 TYR 27 -6.243 -5.014 -12.797 218 HE2 TYR 27 HE2 TYR 27 -6.978 -8.256 -10.127 219 HH TYR 27 HH TYR 27 -5.293 -7.004 -13.010 220 H CYS 28 HN CYS 28 -11.549 -5.435 -11.872 221 HA CYS 28 HA CYS 28 -13.131 -7.203 -10.109 222 1HB CYS 28 HB2 CYS 28 -13.352 -6.784 -13.099 223 2HB CYS 28 HB1 CYS 28 -14.456 -7.700 -12.078 224 HG CYS 28 HG CYS 28 -14.198 -4.744 -11.307 225 H VAL 29 HN VAL 29 -12.622 -9.278 -9.902 226 HA VAL 29 HA VAL 29 -10.704 -10.544 -11.788 227 HB VAL 29 HB VAL 29 -10.816 -10.717 -8.771 228 1HG1 VAL 29 HG12 VAL 29 -9.601 -12.555 -10.767 229 2HG1 VAL 29 HG11 VAL 29 -8.668 -12.192 -9.318 230 3HG1 VAL 29 HG13 VAL 29 -10.278 -12.902 -9.177 231 1HG2 VAL 29 HG23 VAL 29 -9.557 -8.818 -10.038 232 2HG2 VAL 29 HG22 VAL 29 -8.761 -9.665 -8.716 233 3HG2 VAL 29 HG21 VAL 29 -8.379 -10.081 -10.381 234 H ILE 30 HN ILE 30 -11.682 -12.191 -12.790 235 HA ILE 30 HA ILE 30 -13.975 -13.554 -11.514 236 HB ILE 30 HB ILE 30 -13.035 -13.738 -14.382 237 1HG1 ILE 30 HG12 ILE 30 -15.177 -11.967 -13.187 238 2HG1 ILE 30 HG11 ILE 30 -13.638 -11.420 -13.842 239 1HG2 ILE 30 HG23 ILE 30 -15.467 -14.693 -12.893 240 2HG2 ILE 30 HG22 ILE 30 -15.531 -14.380 -14.627 241 3HG2 ILE 30 HG21 ILE 30 -14.412 -15.583 -13.994 242 1HD1 ILE 30 HD13 ILE 30 -15.696 -12.924 -15.468 243 2HD1 ILE 30 HD12 ILE 30 -15.592 -11.163 -15.404 244 3HD1 ILE 30 HD11 ILE 30 -14.250 -12.102 -16.058 245 H ASN 31 HN ASN 31 -13.973 -15.777 -11.151 246 HA ASN 31 HA ASN 31 -11.701 -17.400 -12.007 247 1HB ASN 31 HB2 ASN 31 -11.065 -16.222 -9.835 248 2HB ASN 31 HB1 ASN 31 -12.307 -17.193 -9.052 249 1HD2 ASN 31 HD22 ASN 31 -9.956 -19.701 -8.510 250 2HD2 ASN 31 HD21 ASN 31 -11.188 -18.651 -7.889 251 H ASN 32 HN ASN 32 -13.808 -18.048 -13.122 252 HA ASN 32 HA ASN 32 -15.422 -19.603 -13.534 253 1HB ASN 32 HB2 ASN 32 -13.506 -21.090 -13.090 254 2HB ASN 32 HB1 ASN 32 -13.977 -21.183 -11.396 255 1HD2 ASN 32 HD22 ASN 32 -16.305 -23.072 -14.216 256 2HD2 ASN 32 HD21 ASN 32 -15.342 -21.695 -14.658 257 H GLN 33 HN GLN 33 -17.424 -19.009 -13.055 258 HA GLN 33 HA GLN 33 -19.435 -18.824 -12.010 259 1HB GLN 33 HB2 GLN 33 -18.725 -21.276 -11.470 260 2HB GLN 33 HB1 GLN 33 -18.552 -20.673 -9.827 261 1HG GLN 33 HG2 GLN 33 -21.050 -19.712 -10.822 262 2HG GLN 33 HG1 GLN 33 -20.948 -21.418 -11.236 263 1HE2 GLN 33 HE22 GLN 33 -20.898 -20.315 -7.270 264 2HE2 GLN 33 HE21 GLN 33 -20.305 -19.238 -8.496 265 H GLU 34 HN GLU 34 -16.684 -17.730 -10.457 266 HA GLU 34 HA GLU 34 -18.256 -16.094 -8.612 267 1HB GLU 34 HB2 GLU 34 -16.847 -18.302 -7.716 268 2HB GLU 34 HB1 GLU 34 -15.699 -16.993 -7.478 269 1HG GLU 34 HG2 GLU 34 -16.811 -16.789 -5.498 270 2HG GLU 34 HG1 GLU 34 -17.882 -15.800 -6.483 271 H MET 35 HN MET 35 -17.367 -14.090 -8.201 272 HA MET 35 HA MET 35 -14.779 -13.408 -9.400 273 1HB MET 35 HB2 MET 35 -15.649 -11.456 -10.533 274 2HB MET 35 HB1 MET 35 -16.497 -12.882 -11.115 275 1HG MET 35 HG2 MET 35 -18.381 -12.362 -9.611 276 2HG MET 35 HG1 MET 35 -17.538 -10.916 -9.068 277 1HE MET 35 HE3 MET 35 -16.884 -9.009 -10.420 278 2HE MET 35 HE2 MET 35 -16.390 -9.579 -12.015 279 3HE MET 35 HE1 MET 35 -17.729 -8.440 -11.871 280 H GLY 36 HN GLY 36 -13.792 -11.597 -8.454 281 1HA GLY 36 HA2 GLY 36 -15.016 -10.643 -5.922 282 2HA GLY 36 HA1 GLY 36 -13.323 -11.106 -6.044 283 H PHE 37 HN PHE 37 -14.771 -8.537 -5.406 284 HA PHE 37 HA PHE 37 -13.649 -6.728 -7.461 285 1HB PHE 37 HB2 PHE 37 -15.679 -6.254 -5.262 286 2HB PHE 37 HB1 PHE 37 -15.050 -4.996 -6.323 287 HD1 PHE 37 HD1 PHE 37 -15.480 -5.138 -8.801 288 HD2 PHE 37 HD2 PHE 37 -17.417 -7.690 -5.974 289 HE1 PHE 37 HE1 PHE 37 -17.213 -5.689 -10.472 290 HE2 PHE 37 HE2 PHE 37 -19.143 -8.226 -7.640 291 HZ PHE 37 HZ PHE 37 -19.022 -7.215 -9.916 292 H TYR 38 HN TYR 38 -11.632 -6.106 -7.004 293 HA TYR 38 HA TYR 38 -10.872 -5.565 -4.180 294 1HB TYR 38 HB2 TYR 38 -9.092 -6.461 -6.460 295 2HB TYR 38 HB1 TYR 38 -8.589 -6.168 -4.799 296 HD1 TYR 38 HD1 TYR 38 -9.208 -7.717 -3.008 297 HD2 TYR 38 HD2 TYR 38 -10.285 -8.454 -7.067 298 HE1 TYR 38 HE1 TYR 38 -9.730 -10.058 -2.452 299 HE2 TYR 38 HE2 TYR 38 -10.808 -10.793 -6.514 300 HH TYR 38 HH TYR 38 -11.275 -11.892 -3.441 301 H LYS 39 HN LYS 39 -8.683 -4.185 -4.305 302 HA LYS 39 HA LYS 39 -9.436 -1.594 -5.350 303 1HB LYS 39 HB2 LYS 39 -8.067 -2.363 -3.153 304 2HB LYS 39 HB1 LYS 39 -6.714 -2.052 -4.238 305 1HG LYS 39 HG2 LYS 39 -7.462 0.216 -4.611 306 2HG LYS 39 HG1 LYS 39 -8.919 -0.073 -3.669 307 1HD LYS 39 HD2 LYS 39 -6.817 -0.815 -1.976 308 2HD LYS 39 HD1 LYS 39 -6.251 0.650 -2.767 309 1HE LYS 39 HE2 LYS 39 -8.973 0.464 -1.477 310 2HE LYS 39 HE1 LYS 39 -7.539 0.941 -0.579 311 1HZ LYS 39 HZ3 LYS 39 -7.582 2.454 -2.912 312 2HZ LYS 39 HZ2 LYS 39 -9.156 2.511 -2.263 313 3HZ LYS 39 HZ1 LYS 39 -7.829 2.984 -1.305 314 H ASP 40 HN ASP 40 -7.018 -4.061 -6.050 315 HA ASP 40 HA ASP 40 -6.716 -3.300 -8.777 316 1HB ASP 40 HB2 ASP 40 -4.522 -2.453 -8.841 317 2HB ASP 40 HB1 ASP 40 -5.287 -1.563 -7.533 318 H ALA 41 HN ALA 41 -4.262 -4.427 -9.320 319 HA ALA 41 HA ALA 41 -4.800 -7.220 -9.204 320 1HB ALA 41 HB2 ALA 41 -3.594 -6.193 -11.075 321 2HB ALA 41 HB1 ALA 41 -2.270 -5.754 -9.990 322 3HB ALA 41 HB3 ALA 41 -2.618 -7.454 -10.315 323 H LYS 42 HN LYS 42 -2.603 -5.085 -7.388 324 HA LYS 42 HA LYS 42 -1.214 -7.159 -5.991 325 1HB LYS 42 HB2 LYS 42 -1.623 -4.238 -5.295 326 2HB LYS 42 HB1 LYS 42 -0.513 -5.326 -4.466 327 1HG LYS 42 HG2 LYS 42 0.754 -5.663 -6.504 328 2HG LYS 42 HG1 LYS 42 -0.400 -4.700 -7.426 329 1HD LYS 42 HD2 LYS 42 0.227 -2.699 -6.241 330 2HD LYS 42 HD1 LYS 42 1.213 -3.615 -5.104 331 1HE LYS 42 HE2 LYS 42 2.425 -2.380 -7.022 332 2HE LYS 42 HE1 LYS 42 2.878 -4.051 -6.703 333 1HZ LYS 42 HZ2 LYS 42 0.832 -3.343 -8.730 334 2HZ LYS 42 HZ1 LYS 42 2.500 -3.397 -9.100 335 3HZ LYS 42 HZ3 LYS 42 1.709 -4.797 -8.559 336 H SER 43 HN SER 43 -4.025 -5.127 -5.183 337 HA SER 43 HA SER 43 -4.475 -6.143 -2.571 338 1HB SER 43 HB2 SER 43 -6.521 -5.033 -4.497 339 2HB SER 43 HB1 SER 43 -6.656 -5.117 -2.739 340 HG SER 43 HG SER 43 -4.840 -3.549 -4.288 341 H ALA 44 HN ALA 44 -5.517 -7.222 -5.763 342 HA ALA 44 HA ALA 44 -7.335 -9.236 -4.877 343 1HB ALA 44 HB1 ALA 44 -5.945 -8.786 -7.524 344 2HB ALA 44 HB3 ALA 44 -7.153 -10.039 -7.248 345 3HB ALA 44 HB2 ALA 44 -7.596 -8.340 -7.099 346 H ALA 45 HN ALA 45 -3.958 -9.237 -5.975 347 HA ALA 45 HA ALA 45 -3.512 -12.034 -5.819 348 1HB ALA 45 HB2 ALA 45 -2.066 -10.524 -7.103 349 2HB ALA 45 HB1 ALA 45 -1.531 -9.753 -5.612 350 3HB ALA 45 HB3 ALA 45 -1.129 -11.440 -5.924 351 H SER 46 HN SER 46 -2.877 -9.399 -3.512 352 HA SER 46 HA SER 46 -1.725 -11.092 -1.512 353 1HB SER 46 HB2 SER 46 -1.517 -8.502 -1.872 354 2HB SER 46 HB1 SER 46 -2.960 -8.431 -0.866 355 HG SER 46 HG SER 46 -0.753 -9.994 -0.036 356 H GLY 47 HN GLY 47 -4.964 -9.694 -1.986 357 1HA GLY 47 HA2 GLY 47 -6.962 -10.886 -1.416 358 2HA GLY 47 HA1 GLY 47 -6.089 -11.700 -0.121 359 H ILE 48 HN ILE 48 -6.872 -8.380 -1.161 360 HA ILE 48 HA ILE 48 -7.480 -7.657 1.652 361 HB ILE 48 HB ILE 48 -6.465 -5.843 -0.553 362 1HG1 ILE 48 HG12 ILE 48 -4.971 -6.926 1.848 363 2HG1 ILE 48 HG11 ILE 48 -4.769 -7.510 0.201 364 1HG2 ILE 48 HG22 ILE 48 -6.885 -5.377 2.405 365 2HG2 ILE 48 HG21 ILE 48 -6.109 -4.240 1.300 366 3HG2 ILE 48 HG23 ILE 48 -7.814 -4.658 1.088 367 1HD1 ILE 48 HD12 ILE 48 -4.258 -5.011 -0.358 368 2HD1 ILE 48 HD11 ILE 48 -3.958 -4.871 1.376 369 3HD1 ILE 48 HD13 ILE 48 -3.009 -6.000 0.405 370 HA PRO 49 HA PRO 49 -11.559 -7.214 -0.239 371 1HB PRO 49 HB2 PRO 49 -12.904 -6.565 2.039 372 2HB PRO 49 HB1 PRO 49 -12.454 -8.217 1.592 373 1HG PRO 49 HG2 PRO 49 -11.144 -6.353 3.517 374 2HG PRO 49 HG1 PRO 49 -11.407 -8.099 3.645 375 1HD PRO 49 HD2 PRO 49 -9.008 -6.990 2.950 376 2HD PRO 49 HD1 PRO 49 -9.528 -8.602 2.417 377 H TYR 50 HN TYR 50 -12.482 -5.533 -1.206 378 HA TYR 50 HA TYR 50 -11.588 -2.826 -0.616 379 1HB TYR 50 HB2 TYR 50 -11.736 -3.826 -2.936 380 2HB TYR 50 HB1 TYR 50 -13.483 -3.732 -2.788 381 HD1 TYR 50 HD1 TYR 50 -10.716 -1.367 -1.911 382 HD2 TYR 50 HD2 TYR 50 -14.294 -2.033 -4.151 383 HE1 TYR 50 HE1 TYR 50 -10.655 0.961 -2.714 384 HE2 TYR 50 HE2 TYR 50 -14.218 0.288 -4.946 385 HH TYR 50 HH TYR 50 -11.563 2.465 -4.116 386 H HIS 51 HN HIS 51 -14.484 -4.750 -0.201 387 HA HIS 51 HA HIS 51 -15.653 -2.740 1.492 388 1HB HIS 51 HB2 HIS 51 -17.783 -2.517 0.267 389 2HB HIS 51 HB1 HIS 51 -16.429 -1.856 -0.628 390 HD1 HIS 51 HD1 HIS 51 -19.336 -3.301 -1.483 391 HD2 HIS 51 HD2 HIS 51 -15.451 -4.458 -2.306 392 HE1 HIS 51 HE1 HIS 51 -19.507 -4.752 -3.515 393 H SER 52 HN SER 52 -18.319 -3.831 1.383 394 HA SER 52 HA SER 52 -17.971 -6.074 3.135 395 1HB SER 52 HB2 SER 52 -20.657 -6.004 2.651 396 2HB SER 52 HB1 SER 52 -19.832 -4.997 3.837 397 HG SER 52 HG SER 52 -20.998 -4.305 1.417 398 H GLU 53 HN GLU 53 -20.076 -5.897 0.248 399 HA GLU 53 HA GLU 53 -19.930 -8.756 -0.165 400 1HB GLU 53 HB2 GLU 53 -21.175 -6.659 -1.958 401 2HB GLU 53 HB1 GLU 53 -21.491 -8.389 -1.964 402 1HG GLU 53 HG2 GLU 53 -23.246 -7.853 -0.659 403 2HG GLU 53 HG1 GLU 53 -22.056 -7.772 0.634 404 H VAL 54 HN VAL 54 -17.471 -8.545 -0.393 405 HA VAL 54 HA VAL 54 -16.414 -7.551 -2.876 406 HB VAL 54 HB VAL 54 -15.222 -9.290 -0.713 407 1HG1 VAL 54 HG12 VAL 54 -14.109 -8.484 -3.366 408 2HG1 VAL 54 HG11 VAL 54 -13.030 -8.562 -1.971 409 3HG1 VAL 54 HG13 VAL 54 -13.920 -10.001 -2.483 410 1HG2 VAL 54 HG21 VAL 54 -15.730 -6.625 -0.701 411 2HG2 VAL 54 HG23 VAL 54 -14.425 -7.395 0.205 412 3HG2 VAL 54 HG22 VAL 54 -14.095 -6.653 -1.362 413 HA PRO 55 HA PRO 55 -16.525 -12.112 -4.258 414 1HB PRO 55 HB2 PRO 55 -17.663 -14.018 -2.701 415 2HB PRO 55 HB1 PRO 55 -15.979 -13.505 -2.544 416 1HG PRO 55 HG2 PRO 55 -18.263 -12.987 -0.775 417 2HG PRO 55 HG1 PRO 55 -16.531 -12.932 -0.420 418 1HD PRO 55 HD2 PRO 55 -18.306 -10.746 -0.953 419 2HD PRO 55 HD1 PRO 55 -16.576 -10.690 -0.580 420 H VAL 56 HN VAL 56 -17.942 -12.216 -5.898 421 HA VAL 56 HA VAL 56 -20.853 -12.351 -5.335 422 HB VAL 56 HB VAL 56 -19.450 -10.815 -7.540 423 1HG1 VAL 56 HG12 VAL 56 -22.366 -11.392 -7.049 424 2HG1 VAL 56 HG11 VAL 56 -21.825 -10.014 -8.008 425 3HG1 VAL 56 HG13 VAL 56 -21.428 -11.653 -8.522 426 1HG2 VAL 56 HG22 VAL 56 -20.828 -10.020 -5.000 427 2HG2 VAL 56 HG21 VAL 56 -19.301 -9.448 -5.669 428 3HG2 VAL 56 HG23 VAL 56 -20.826 -8.926 -6.381 429 H SER 57 HN SER 57 -21.942 -13.912 -6.425 430 HA SER 57 HA SER 57 -20.436 -15.944 -7.800 431 1HB SER 57 HB2 SER 57 -23.373 -15.683 -7.237 432 2HB SER 57 HB1 SER 57 -22.548 -17.129 -7.767 433 HG SER 57 HG SER 57 -21.215 -16.811 -5.773 434 H LEU 58 HN LEU 58 -20.529 -16.495 -9.902 435 HA LEU 58 HA LEU 58 -22.057 -14.789 -11.786 436 1HB LEU 58 HB2 LEU 58 -19.433 -14.570 -11.596 437 2HB LEU 58 HB1 LEU 58 -19.430 -16.072 -12.511 438 HG LEU 58 HG LEU 58 -20.945 -14.902 -14.174 439 1HD1 LEU 58 HD11 LEU 58 -20.390 -12.673 -12.295 440 2HD1 LEU 58 HD13 LEU 58 -20.353 -12.291 -14.018 441 3HD1 LEU 58 HD12 LEU 58 -21.806 -12.982 -13.299 442 1HD2 LEU 58 HD22 LEU 58 -18.083 -14.680 -13.762 443 2HD2 LEU 58 HD21 LEU 58 -18.988 -14.951 -15.251 444 3HD2 LEU 58 HD23 LEU 58 -18.707 -13.308 -14.677 445 H LYS 59 HN LYS 59 -23.562 -16.660 -11.170 446 HA LYS 59 HA LYS 59 -23.016 -19.174 -12.597 447 1HB LYS 59 HB2 LYS 59 -23.853 -19.329 -10.309 448 2HB LYS 59 HB1 LYS 59 -25.244 -18.336 -10.722 449 1HG LYS 59 HG2 LYS 59 -26.074 -20.530 -10.740 450 2HG LYS 59 HG1 LYS 59 -25.814 -20.165 -12.442 451 1HD LYS 59 HD2 LYS 59 -23.973 -21.567 -12.610 452 2HD LYS 59 HD1 LYS 59 -23.621 -21.478 -10.886 453 1HE LYS 59 HE2 LYS 59 -24.574 -23.682 -11.724 454 2HE LYS 59 HE1 LYS 59 -25.383 -22.959 -10.339 455 1HZ LYS 59 HZ3 LYS 59 -26.292 -22.728 -13.164 456 2HZ LYS 59 HZ2 LYS 59 -26.953 -23.786 -12.001 457 3HZ LYS 59 HZ1 LYS 59 -27.090 -22.102 -11.797 458 H GLU 60 HN GLU 60 -23.284 -18.695 -14.746 459 HA GLU 60 HA GLU 60 -24.312 -18.250 -16.736 460 1HB GLU 60 HB2 GLU 60 -26.803 -18.979 -15.175 461 2HB GLU 60 HB1 GLU 60 -26.653 -18.958 -16.929 462 1HG GLU 60 HG2 GLU 60 -25.182 -20.815 -16.948 463 2HG GLU 60 HG1 GLU 60 -24.830 -20.665 -15.229 464 H ALA 61 HN ALA 61 -23.637 -15.959 -16.039 465 HA ALA 61 HA ALA 61 -25.823 -14.120 -15.440 466 1HB ALA 61 HB1 ALA 61 -23.476 -13.862 -14.544 467 2HB ALA 61 HB3 ALA 61 -22.961 -13.460 -16.189 468 3HB ALA 61 HB2 ALA 61 -24.122 -12.429 -15.343 469 H ILE 62 HN ILE 62 -26.650 -12.587 -16.827 470 HA ILE 62 HA ILE 62 -26.289 -13.076 -19.712 471 HB ILE 62 HB ILE 62 -28.324 -11.295 -18.353 472 1HG1 ILE 62 HG12 ILE 62 -28.566 -14.213 -19.116 473 2HG1 ILE 62 HG11 ILE 62 -28.605 -13.552 -17.488 474 1HG2 ILE 62 HG22 ILE 62 -27.636 -11.683 -21.066 475 2HG2 ILE 62 HG21 ILE 62 -29.182 -12.505 -20.822 476 3HG2 ILE 62 HG23 ILE 62 -29.018 -10.794 -20.415 477 1HD1 ILE 62 HD13 ILE 62 -30.593 -12.112 -18.670 478 2HD1 ILE 62 HD12 ILE 62 -30.727 -13.647 -19.530 479 3HD1 ILE 62 HD11 ILE 62 -30.846 -13.606 -17.766 480 H CYS 63 HN CYS 63 -25.244 -11.625 -20.976 481 HA CYS 63 HA CYS 63 -24.521 -9.003 -19.795 482 1HB CYS 63 HB2 CYS 63 -22.741 -10.891 -19.829 483 2HB CYS 63 HB1 CYS 63 -22.635 -10.541 -21.546 484 HG CYS 63 HG CYS 63 -21.855 -8.119 -20.945 485 H GLU 64 HN GLU 64 -25.330 -7.415 -20.965 486 HA GLU 64 HA GLU 64 -25.753 -7.748 -23.885 487 1HB GLU 64 HB2 GLU 64 -26.901 -5.605 -22.086 488 2HB GLU 64 HB1 GLU 64 -27.367 -5.983 -23.744 489 1HG GLU 64 HG2 GLU 64 -28.130 -8.237 -22.943 490 2HG GLU 64 HG1 GLU 64 -27.817 -7.698 -21.292 491 H VAL 65 HN VAL 65 -25.237 -5.902 -25.254 492 HA VAL 65 HA VAL 65 -22.803 -4.499 -24.347 493 HB VAL 65 HB VAL 65 -23.998 -4.588 -27.124 494 1HG1 VAL 65 HG13 VAL 65 -21.208 -3.960 -26.123 495 2HG1 VAL 65 HG12 VAL 65 -21.698 -4.060 -27.815 496 3HG1 VAL 65 HG11 VAL 65 -22.365 -2.801 -26.781 497 1HG2 VAL 65 HG21 VAL 65 -22.112 -6.489 -25.757 498 2HG2 VAL 65 HG23 VAL 65 -23.591 -6.857 -26.639 499 3HG2 VAL 65 HG22 VAL 65 -22.156 -6.316 -27.515 500 H ALA 66 HN ALA 66 -22.763 -2.392 -23.942 501 HA ALA 66 HA ALA 66 -25.065 -0.662 -24.676 502 1HB ALA 66 HB1 ALA 66 -23.573 -0.969 -22.086 503 2HB ALA 66 HB3 ALA 66 -24.260 0.601 -22.511 504 3HB ALA 66 HB2 ALA 66 -25.307 -0.810 -22.366 505 H LEU 67 HN LEU 67 -23.846 -0.196 -26.599 506 HA LEU 67 HA LEU 67 -21.258 1.116 -26.396 507 1HB LEU 67 HB2 LEU 67 -22.602 -0.307 -28.384 508 2HB LEU 67 HB1 LEU 67 -22.647 1.351 -28.963 509 HG LEU 67 HG LEU 67 -20.686 0.086 -29.761 510 1HD1 LEU 67 HD21 LEU 67 -20.130 2.449 -27.978 511 2HD1 LEU 67 HD23 LEU 67 -18.959 1.773 -29.113 512 3HD1 LEU 67 HD22 LEU 67 -20.472 2.461 -29.709 513 1HD2 LEU 67 HD13 LEU 67 -20.539 -1.032 -27.321 514 2HD2 LEU 67 HD12 LEU 67 -19.177 -0.953 -28.441 515 3HD2 LEU 67 HD11 LEU 67 -19.322 0.235 -27.149 516 H ASP 68 HN ASP 68 -24.563 2.005 -27.328 517 HA ASP 68 HA ASP 68 -23.855 4.873 -27.217 518 1HB ASP 68 HB2 ASP 68 -24.962 3.806 -29.262 519 2HB ASP 68 HB1 ASP 68 -26.413 3.653 -28.273 520 H TYR 69 HN TYR 69 -24.062 3.583 -24.726 521 HA TYR 69 HA TYR 69 -26.711 4.195 -23.631 522 1HB TYR 69 HB2 TYR 69 -25.730 2.193 -22.771 523 2HB TYR 69 HB1 TYR 69 -24.210 2.996 -22.410 524 HD1 TYR 69 HD1 TYR 69 -27.856 3.250 -21.569 525 HD2 TYR 69 HD2 TYR 69 -23.823 3.630 -20.206 526 HE1 TYR 69 HE1 TYR 69 -28.666 3.734 -19.292 527 HE2 TYR 69 HE2 TYR 69 -24.642 4.124 -17.937 528 HH TYR 69 HH TYR 69 -28.060 4.575 -17.247 529 H LYS 70 HN LYS 70 -26.823 6.419 -23.867 530 HA LYS 70 HA LYS 70 -26.734 8.570 -23.162 531 1HB LYS 70 HB2 LYS 70 -24.733 7.652 -21.081 532 2HB LYS 70 HB1 LYS 70 -25.506 9.226 -21.146 533 1HG LYS 70 HG2 LYS 70 -27.717 8.135 -20.902 534 2HG LYS 70 HG1 LYS 70 -26.912 6.574 -20.781 535 1HD LYS 70 HD2 LYS 70 -27.423 7.360 -18.550 536 2HD LYS 70 HD1 LYS 70 -25.680 7.388 -18.788 537 1HE LYS 70 HE2 LYS 70 -26.788 9.420 -17.641 538 2HE LYS 70 HE1 LYS 70 -25.595 9.719 -18.898 539 1HZ LYS 70 HZ1 LYS 70 -27.394 10.053 -20.482 540 2HZ LYS 70 HZ3 LYS 70 -28.544 9.785 -19.254 541 3HZ LYS 70 HZ2 LYS 70 -27.508 11.139 -19.174 542 H LYS 71 HN LYS 71 -23.502 7.109 -23.221 543 HA LYS 71 HA LYS 71 -22.609 9.217 -25.097 544 1HB LYS 71 HB2 LYS 71 -20.954 8.162 -22.787 545 2HB LYS 71 HB1 LYS 71 -20.473 9.382 -23.963 546 1HG LYS 71 HG2 LYS 71 -22.587 10.667 -23.097 547 2HG LYS 71 HG1 LYS 71 -22.427 9.616 -21.695 548 1HD LYS 71 HD2 LYS 71 -20.389 10.532 -21.064 549 2HD LYS 71 HD1 LYS 71 -20.028 11.115 -22.685 550 1HE LYS 71 HE2 LYS 71 -22.207 12.232 -20.906 551 2HE LYS 71 HE1 LYS 71 -20.606 12.939 -21.082 552 1HZ LYS 71 HZ2 LYS 71 -21.729 12.519 -23.630 553 2HZ LYS 71 HZ1 LYS 71 -22.845 13.368 -22.663 554 3HZ LYS 71 HZ3 LYS 71 -21.274 13.983 -22.894 555 H LYS 72 HN LYS 72 -21.065 8.519 -26.606 556 HA LYS 72 HA LYS 72 -21.172 5.720 -27.279 557 1HB LYS 72 HB2 LYS 72 -19.629 8.014 -28.519 558 2HB LYS 72 HB1 LYS 72 -19.636 6.370 -29.148 559 1HG LYS 72 HG2 LYS 72 -22.277 6.726 -29.003 560 2HG LYS 72 HG1 LYS 72 -21.804 8.415 -29.171 561 1HD LYS 72 HD2 LYS 72 -21.260 8.163 -31.353 562 2HD LYS 72 HD1 LYS 72 -20.401 6.657 -31.054 563 1HE LYS 72 HE2 LYS 72 -22.281 6.246 -32.538 564 2HE LYS 72 HE1 LYS 72 -22.552 5.443 -30.992 565 1HZ LYS 72 HZ1 LYS 72 -23.617 8.156 -31.388 566 2HZ LYS 72 HZ3 LYS 72 -24.424 6.838 -32.112 567 3HZ LYS 72 HZ2 LYS 72 -24.211 6.877 -30.417 568 H LYS 73 HN LYS 73 -20.243 4.922 -25.281 569 HA LYS 73 HA LYS 73 -17.283 5.080 -25.156 570 1HB LYS 73 HB2 LYS 73 -19.219 4.188 -23.001 571 2HB LYS 73 HB1 LYS 73 -17.485 4.439 -22.825 572 1HG LYS 73 HG2 LYS 73 -19.309 6.687 -23.656 573 2HG LYS 73 HG1 LYS 73 -19.071 6.277 -21.965 574 1HD LYS 73 HD2 LYS 73 -16.565 6.486 -22.442 575 2HD LYS 73 HD1 LYS 73 -17.029 7.263 -23.950 576 1HE LYS 73 HE2 LYS 73 -18.087 9.068 -22.812 577 2HE LYS 73 HE1 LYS 73 -18.060 8.210 -21.275 578 1HZ LYS 73 HZ3 LYS 73 -15.564 8.297 -21.466 579 2HZ LYS 73 HZ2 LYS 73 -15.801 9.448 -22.716 580 3HZ LYS 73 HZ1 LYS 73 -16.363 9.765 -21.134 581 H HIS 74 HN HIS 74 -17.709 2.653 -23.293 582 HA HIS 74 HA HIS 74 -18.356 0.505 -25.167 583 1HB HIS 74 HB2 HIS 74 -15.624 0.849 -23.890 584 2HB HIS 74 HB1 HIS 74 -16.195 -0.663 -24.581 585 HD1 HIS 74 HD1 HIS 74 -14.299 2.219 -25.464 586 HD2 HIS 74 HD2 HIS 74 -16.953 -0.234 -27.487 587 HE1 HIS 74 HE1 HIS 74 -13.861 2.651 -27.891 588 H VAL 75 HN VAL 75 -20.098 0.710 -23.505 589 HA VAL 75 HA VAL 75 -19.417 -0.480 -20.892 590 HB VAL 75 HB VAL 75 -22.002 0.812 -21.782 591 1HG1 VAL 75 HG12 VAL 75 -21.008 -0.189 -19.138 592 2HG1 VAL 75 HG11 VAL 75 -22.202 1.104 -19.219 593 3HG1 VAL 75 HG13 VAL 75 -22.562 -0.472 -19.927 594 1HG2 VAL 75 HG22 VAL 75 -19.907 2.326 -21.722 595 2HG2 VAL 75 HG21 VAL 75 -21.362 2.854 -20.881 596 3HG2 VAL 75 HG23 VAL 75 -20.028 2.146 -19.970 597 H PHE 76 HN PHE 76 -20.851 -2.150 -20.044 598 HA PHE 76 HA PHE 76 -22.559 -3.541 -21.937 599 1HB PHE 76 HB2 PHE 76 -21.569 -5.760 -21.444 600 2HB PHE 76 HB1 PHE 76 -20.536 -4.718 -22.400 601 HD1 PHE 76 HD1 PHE 76 -18.454 -3.839 -21.501 602 HD2 PHE 76 HD2 PHE 76 -20.959 -6.419 -19.204 603 HE1 PHE 76 HE1 PHE 76 -16.632 -4.154 -19.870 604 HE2 PHE 76 HE2 PHE 76 -19.136 -6.746 -17.579 605 HZ PHE 76 HZ PHE 76 -16.882 -5.819 -18.068 606 H LYS 77 HN LYS 77 -24.258 -4.485 -20.993 607 HA LYS 77 HA LYS 77 -24.735 -3.882 -18.181 608 1HB LYS 77 HB2 LYS 77 -26.297 -3.707 -20.372 609 2HB LYS 77 HB1 LYS 77 -26.774 -5.303 -19.819 610 1HG LYS 77 HG2 LYS 77 -26.723 -2.950 -17.951 611 2HG LYS 77 HG1 LYS 77 -28.103 -3.257 -18.987 612 1HD LYS 77 HD2 LYS 77 -26.964 -5.272 -17.038 613 2HD LYS 77 HD1 LYS 77 -28.301 -4.197 -16.659 614 1HE LYS 77 HE2 LYS 77 -28.249 -6.384 -18.756 615 2HE LYS 77 HE1 LYS 77 -29.209 -6.330 -17.286 616 1HZ LYS 77 HZ3 LYS 77 -29.762 -4.030 -18.799 617 2HZ LYS 77 HZ2 LYS 77 -29.900 -5.403 -19.805 618 3HZ LYS 77 HZ1 LYS 77 -30.804 -5.304 -18.365 619 H LEU 78 HN LEU 78 -23.790 -5.305 -16.839 620 HA LEU 78 HA LEU 78 -23.881 -8.184 -17.377 621 1HB LEU 78 HB2 LEU 78 -21.769 -7.084 -16.593 622 2HB LEU 78 HB1 LEU 78 -22.563 -6.703 -15.083 623 HG LEU 78 HG LEU 78 -21.047 -8.811 -15.269 624 1HD1 LEU 78 HD21 LEU 78 -22.891 -8.039 -13.516 625 2HD1 LEU 78 HD23 LEU 78 -23.655 -9.530 -14.067 626 3HD1 LEU 78 HD22 LEU 78 -22.031 -9.572 -13.377 627 1HD2 LEU 78 HD11 LEU 78 -22.232 -9.684 -17.316 628 2HD2 LEU 78 HD13 LEU 78 -22.062 -10.835 -15.987 629 3HD2 LEU 78 HD12 LEU 78 -23.609 -10.047 -16.272 630 H ARG 79 HN ARG 79 -25.660 -9.199 -16.766 631 HA ARG 79 HA ARG 79 -27.080 -8.390 -14.284 632 1HB ARG 79 HB2 ARG 79 -28.328 -8.161 -16.476 633 2HB ARG 79 HB1 ARG 79 -28.201 -9.904 -16.659 634 1HG ARG 79 HG2 ARG 79 -29.215 -9.425 -14.052 635 2HG ARG 79 HG1 ARG 79 -30.109 -8.380 -15.151 636 1HD ARG 79 HD2 ARG 79 -30.382 -10.492 -16.616 637 2HD ARG 79 HD1 ARG 79 -29.905 -11.384 -15.172 638 HE ARG 79 HE ARG 79 -32.415 -9.975 -15.611 639 1HH1 ARG 79 HH21 ARG 79 -31.732 -8.847 -13.009 640 2HH1 ARG 79 HH22 ARG 79 -32.256 -10.055 -11.857 641 1HH2 ARG 79 HH11 ARG 79 -32.425 -12.646 -14.255 642 2HH2 ARG 79 HH12 ARG 79 -32.644 -12.222 -12.580 643 H LEU 80 HN LEU 80 -26.772 -9.804 -12.640 644 HA LEU 80 HA LEU 80 -25.597 -12.402 -13.023 645 1HB LEU 80 HB2 LEU 80 -26.987 -11.242 -10.602 646 2HB LEU 80 HB1 LEU 80 -25.998 -12.690 -10.605 647 HG LEU 80 HG LEU 80 -25.029 -9.913 -11.307 648 1HD1 LEU 80 HD13 LEU 80 -24.745 -11.559 -8.802 649 2HD1 LEU 80 HD12 LEU 80 -23.693 -10.192 -9.184 650 3HD1 LEU 80 HD11 LEU 80 -25.425 -9.937 -8.975 651 1HD2 LEU 80 HD23 LEU 80 -23.723 -12.602 -11.319 652 2HD2 LEU 80 HD22 LEU 80 -23.603 -11.292 -12.494 653 3HD2 LEU 80 HD21 LEU 80 -22.767 -11.172 -10.944 654 H SER 81 HN SER 81 -26.785 -14.352 -11.847 655 HA SER 81 HA SER 81 -28.894 -15.205 -13.427 656 1HB SER 81 HB2 SER 81 -29.235 -16.649 -11.084 657 2HB SER 81 HB1 SER 81 -28.160 -17.059 -12.416 658 HG SER 81 HG SER 81 -26.456 -16.440 -11.282 659 H ASP 82 HN ASP 82 -29.043 -13.786 -10.181 660 HA ASP 82 HA ASP 82 -31.450 -12.382 -10.582 661 1HB ASP 82 HB2 ASP 82 -32.225 -14.917 -10.425 662 2HB ASP 82 HB1 ASP 82 -32.003 -14.668 -8.701 663 H GLY 83 HN GLY 83 -29.178 -11.491 -9.637 664 1HA GLY 83 HA2 GLY 83 -29.538 -11.242 -6.704 665 2HA GLY 83 HA1 GLY 83 -27.954 -11.349 -7.459 666 H ASN 84 HN ASN 84 -27.459 -9.610 -9.105 667 HA ASN 84 HA ASN 84 -28.774 -7.030 -8.605 668 1HB ASN 84 HB2 ASN 84 -25.782 -7.501 -8.396 669 2HB ASN 84 HB1 ASN 84 -26.604 -5.954 -8.201 670 1HD2 ASN 84 HD22 ASN 84 -28.040 -6.925 -4.991 671 2HD2 ASN 84 HD21 ASN 84 -28.559 -6.247 -6.502 672 H GLU 85 HN GLU 85 -27.908 -5.371 -10.144 673 HA GLU 85 HA GLU 85 -26.968 -6.497 -12.721 674 1HB GLU 85 HB2 GLU 85 -29.321 -4.739 -12.115 675 2HB GLU 85 HB1 GLU 85 -28.534 -4.640 -13.686 676 1HG GLU 85 HG2 GLU 85 -29.090 -6.835 -14.255 677 2HG GLU 85 HG1 GLU 85 -29.349 -7.312 -12.579 678 H TYR 86 HN TYR 86 -25.210 -5.426 -13.474 679 HA TYR 86 HA TYR 86 -24.737 -2.634 -12.565 680 1HB TYR 86 HB2 TYR 86 -22.526 -4.651 -12.885 681 2HB TYR 86 HB1 TYR 86 -22.464 -3.079 -12.105 682 HD1 TYR 86 HD1 TYR 86 -24.557 -3.038 -10.177 683 HD2 TYR 86 HD2 TYR 86 -22.130 -6.334 -11.385 684 HE1 TYR 86 HE1 TYR 86 -24.841 -4.057 -7.971 685 HE2 TYR 86 HE2 TYR 86 -22.442 -7.368 -9.174 686 HH TYR 86 HH TYR 86 -23.768 -5.618 -6.524 687 H LEU 87 HN LEU 87 -23.246 -1.415 -13.819 688 HA LEU 87 HA LEU 87 -23.113 -2.157 -16.695 689 1HB LEU 87 HB2 LEU 87 -22.961 0.605 -15.443 690 2HB LEU 87 HB1 LEU 87 -22.911 0.240 -17.161 691 HG LEU 87 HG LEU 87 -25.238 -0.036 -15.283 692 1HD1 LEU 87 HD13 LEU 87 -24.483 2.122 -16.619 693 2HD1 LEU 87 HD12 LEU 87 -25.349 1.313 -17.932 694 3HD1 LEU 87 HD11 LEU 87 -26.186 1.696 -16.424 695 1HD2 LEU 87 HD21 LEU 87 -24.861 -1.202 -18.031 696 2HD2 LEU 87 HD23 LEU 87 -25.401 -2.009 -16.558 697 3HD2 LEU 87 HD22 LEU 87 -26.456 -0.852 -17.365 698 H PHE 88 HN PHE 88 -21.079 -2.462 -17.482 699 HA PHE 88 HA PHE 88 -18.779 -1.570 -15.837 700 1HB PHE 88 HB2 PHE 88 -19.264 -4.114 -17.345 701 2HB PHE 88 HB1 PHE 88 -17.630 -3.581 -16.976 702 HD1 PHE 88 HD1 PHE 88 -17.253 -2.907 -14.432 703 HD2 PHE 88 HD2 PHE 88 -20.319 -5.509 -15.852 704 HE1 PHE 88 HE1 PHE 88 -17.457 -3.893 -12.187 705 HE2 PHE 88 HE2 PHE 88 -20.536 -6.488 -13.612 706 HZ PHE 88 HZ PHE 88 -19.026 -5.712 -11.782 707 H GLN 89 HN GLN 89 -17.413 -0.203 -16.847 708 HA GLN 89 HA GLN 89 -17.577 0.065 -19.791 709 1HB GLN 89 HB2 GLN 89 -17.960 2.052 -18.089 710 2HB GLN 89 HB1 GLN 89 -16.202 2.103 -18.103 711 1HG GLN 89 HG2 GLN 89 -16.276 2.234 -20.598 712 2HG GLN 89 HG1 GLN 89 -18.025 2.387 -20.491 713 1HE2 GLN 89 HE22 GLN 89 -17.535 5.558 -18.539 714 2HE2 GLN 89 HE21 GLN 89 -18.200 3.996 -18.191 715 H ALA 90 HN ALA 90 -15.849 -0.224 -21.038 716 HA ALA 90 HA ALA 90 -13.281 -1.026 -19.783 717 1HB ALA 90 HB2 ALA 90 -14.481 -1.731 -22.480 718 2HB ALA 90 HB1 ALA 90 -12.869 -2.194 -21.946 719 3HB ALA 90 HB3 ALA 90 -14.283 -2.812 -21.100 720 H LYS 91 HN LYS 91 -11.325 -0.353 -20.954 721 HA LYS 91 HA LYS 91 -11.589 2.391 -21.990 722 1HB LYS 91 HB2 LYS 91 -9.035 2.327 -21.850 723 2HB LYS 91 HB1 LYS 91 -9.933 2.288 -20.341 724 1HG LYS 91 HG2 LYS 91 -9.321 -0.369 -21.477 725 2HG LYS 91 HG1 LYS 91 -7.916 0.568 -20.978 726 1HD LYS 91 HD2 LYS 91 -9.048 0.937 -18.759 727 2HD LYS 91 HD1 LYS 91 -10.300 -0.186 -19.277 728 1HE LYS 91 HE2 LYS 91 -8.156 -1.723 -19.758 729 2HE LYS 91 HE1 LYS 91 -7.475 -0.712 -18.489 730 1HZ LYS 91 HZ3 LYS 91 -9.613 -1.301 -17.226 731 2HZ LYS 91 HZ2 LYS 91 -9.753 -2.585 -18.347 732 3HZ LYS 91 HZ1 LYS 91 -8.381 -2.474 -17.342 733 H ASP 92 HN ASP 92 -11.412 -0.699 -23.246 734 HA ASP 92 HA ASP 92 -10.691 0.313 -25.919 735 1HB ASP 92 HB2 ASP 92 -8.696 -0.815 -24.726 736 2HB ASP 92 HB1 ASP 92 -9.594 -2.317 -24.910 737 H ASP 93 HN ASP 93 -11.754 -0.754 -27.603 738 HA ASP 93 HA ASP 93 -14.227 -2.023 -26.971 739 1HB ASP 93 HB2 ASP 93 -14.715 -1.950 -29.244 740 2HB ASP 93 HB1 ASP 93 -13.607 -0.604 -29.055 741 H GLU 94 HN GLU 94 -11.045 -3.213 -27.799 742 HA GLU 94 HA GLU 94 -11.765 -5.942 -28.323 743 1HB GLU 94 HB2 GLU 94 -9.638 -4.950 -29.086 744 2HB GLU 94 HB1 GLU 94 -9.132 -4.734 -27.415 745 1HG GLU 94 HG2 GLU 94 -8.046 -6.697 -28.278 746 2HG GLU 94 HG1 GLU 94 -9.257 -7.219 -27.113 747 H GLU 95 HN GLU 95 -10.751 -4.108 -25.478 748 HA GLU 95 HA GLU 95 -10.553 -6.230 -23.610 749 1HB GLU 95 HB2 GLU 95 -9.768 -3.782 -23.380 750 2HB GLU 95 HB1 GLU 95 -11.427 -3.430 -22.912 751 1HG GLU 95 HG2 GLU 95 -11.013 -5.441 -21.227 752 2HG GLU 95 HG1 GLU 95 -9.326 -4.997 -21.468 753 H MET 96 HN MET 96 -13.232 -4.071 -24.509 754 HA MET 96 HA MET 96 -15.187 -4.952 -22.690 755 1HB MET 96 HB2 MET 96 -15.449 -2.937 -24.041 756 2HB MET 96 HB1 MET 96 -15.510 -3.901 -25.511 757 1HG MET 96 HG2 MET 96 -17.483 -4.750 -23.524 758 2HG MET 96 HG1 MET 96 -17.685 -3.074 -24.004 759 1HE MET 96 HE1 MET 96 -19.008 -2.364 -25.835 760 2HE MET 96 HE3 MET 96 -17.589 -2.480 -26.887 761 3HE MET 96 HE2 MET 96 -19.136 -3.135 -27.417 762 H ASN 97 HN ASN 97 -14.441 -6.111 -25.980 763 HA ASN 97 HA ASN 97 -16.449 -8.101 -26.127 764 1HB ASN 97 HB2 ASN 97 -14.930 -7.124 -27.991 765 2HB ASN 97 HB1 ASN 97 -13.767 -8.344 -27.488 766 1HD2 ASN 97 HD22 ASN 97 -15.381 -10.246 -30.018 767 2HD2 ASN 97 HD21 ASN 97 -14.050 -9.178 -29.680 768 H THR 98 HN THR 98 -13.095 -8.191 -24.979 769 HA THR 98 HA THR 98 -12.925 -10.980 -24.456 770 HB THR 98 HB THR 98 -11.402 -8.800 -23.015 771 HG1 THR 98 HG1 THR 98 -11.142 -8.341 -25.167 772 1HG2 THR 98 HG22 THR 98 -11.165 -11.221 -22.280 773 2HG2 THR 98 HG21 THR 98 -10.451 -11.538 -23.861 774 3HG2 THR 98 HG23 THR 98 -9.672 -10.410 -22.752 775 H TRP 99 HN TRP 99 -13.920 -8.212 -22.471 776 HA TRP 99 HA TRP 99 -14.166 -9.548 -19.989 777 1HB TRP 99 HB2 TRP 99 -15.212 -6.990 -21.134 778 2HB TRP 99 HB1 TRP 99 -15.977 -7.608 -19.675 779 HD1 TRP 99 HD1 TRP 99 -13.297 -5.332 -20.625 780 HE1 TRP 99 HE1 TRP 99 -11.621 -5.032 -18.722 781 HE3 TRP 99 HE3 TRP 99 -14.656 -9.269 -17.643 782 HZ2 TRP 99 HZ2 TRP 99 -10.930 -6.279 -16.289 783 HZ3 TRP 99 HZ3 TRP 99 -13.430 -9.663 -15.543 784 HH2 TRP 99 HH2 TRP 99 -11.588 -8.182 -14.869 785 H ILE 100 HN ILE 100 -16.595 -8.866 -22.502 786 HA ILE 100 HA ILE 100 -18.796 -10.102 -21.241 787 HB ILE 100 HB ILE 100 -18.167 -9.597 -24.152 788 1HG1 ILE 100 HG12 ILE 100 -20.116 -8.193 -22.325 789 2HG1 ILE 100 HG11 ILE 100 -18.461 -7.650 -22.561 790 1HG2 ILE 100 HG22 ILE 100 -20.625 -10.772 -22.871 791 2HG2 ILE 100 HG21 ILE 100 -20.742 -9.825 -24.356 792 3HG2 ILE 100 HG23 ILE 100 -19.769 -11.294 -24.322 793 1HD1 ILE 100 HD13 ILE 100 -20.196 -8.109 -24.961 794 2HD1 ILE 100 HD12 ILE 100 -20.403 -6.636 -24.012 795 3HD1 ILE 100 HD11 ILE 100 -18.842 -7.000 -24.751 796 H GLN 101 HN GLN 101 -16.396 -11.368 -23.541 797 HA GLN 101 HA GLN 101 -17.452 -13.997 -23.758 798 1HB GLN 101 HB2 GLN 101 -14.734 -12.804 -24.275 799 2HB GLN 101 HB1 GLN 101 -15.030 -14.532 -24.460 800 1HG GLN 101 HG2 GLN 101 -16.726 -14.121 -26.130 801 2HG GLN 101 HG1 GLN 101 -16.636 -12.381 -25.862 802 1HE2 GLN 101 HE22 GLN 101 -14.519 -12.420 -28.685 803 2HE2 GLN 101 HE21 GLN 101 -16.108 -12.086 -28.083 804 H ALA 102 HN ALA 102 -15.008 -12.576 -21.593 805 HA ALA 102 HA ALA 102 -14.173 -14.930 -20.290 806 1HB ALA 102 HB3 ALA 102 -13.048 -12.714 -20.100 807 2HB ALA 102 HB2 ALA 102 -14.379 -12.155 -19.086 808 3HB ALA 102 HB1 ALA 102 -13.341 -13.471 -18.536 809 H ILE 103 HN ILE 103 -16.786 -12.655 -19.522 810 HA ILE 103 HA ILE 103 -17.684 -13.905 -17.143 811 HB ILE 103 HB ILE 103 -19.015 -12.072 -19.135 812 1HG1 ILE 103 HG12 ILE 103 -18.372 -11.365 -16.301 813 2HG1 ILE 103 HG11 ILE 103 -17.057 -11.456 -17.464 814 1HG2 ILE 103 HG22 ILE 103 -20.128 -13.040 -16.495 815 2HG2 ILE 103 HG21 ILE 103 -20.772 -11.688 -17.424 816 3HG2 ILE 103 HG23 ILE 103 -20.825 -13.317 -18.094 817 1HD1 ILE 103 HD13 ILE 103 -18.828 -9.949 -18.869 818 2HD1 ILE 103 HD12 ILE 103 -19.236 -9.471 -17.221 819 3HD1 ILE 103 HD11 ILE 103 -17.585 -9.272 -17.814 820 H SER 104 HN SER 104 -18.338 -14.527 -20.551 821 HA SER 104 HA SER 104 -20.551 -16.335 -20.061 822 1HB SER 104 HB2 SER 104 -18.926 -16.083 -22.596 823 2HB SER 104 HB1 SER 104 -20.571 -16.685 -22.415 824 HG SER 104 HG SER 104 -19.978 -14.054 -21.596 825 H SER 105 HN SER 105 -17.073 -16.614 -20.410 826 HA SER 105 HA SER 105 -17.193 -19.554 -20.578 827 1HB SER 105 HB2 SER 105 -14.672 -17.912 -20.609 828 2HB SER 105 HB1 SER 105 -14.971 -19.504 -21.307 829 HG SER 105 HG SER 105 -16.088 -17.034 -22.200 830 H ALA 106 HN ALA 106 -17.118 -17.304 -18.120 831 HA ALA 106 HA ALA 106 -15.170 -18.551 -16.382 832 1HB ALA 106 HB3 ALA 106 -17.303 -16.463 -15.864 833 2HB ALA 106 HB2 ALA 106 -16.102 -16.988 -14.679 834 3HB ALA 106 HB1 ALA 106 -15.588 -16.181 -16.158 No H/Q in entry = 834 Start of MODEL 26 1 1H MET 1 HT3 MET 1 -6.507 -12.301 -15.912 2 2H MET 1 HT2 MET 1 -6.867 -13.923 -15.538 3 3H MET 1 HT1 MET 1 -6.564 -13.462 -17.152 4 HA MET 1 HA MET 1 -8.585 -12.461 -17.416 5 1HB MET 1 HB2 MET 1 -8.705 -14.984 -16.807 6 2HB MET 1 HB1 MET 1 -9.387 -14.439 -15.281 7 1HG MET 1 HG2 MET 1 -11.179 -13.272 -16.497 8 2HG MET 1 HG1 MET 1 -10.499 -13.812 -18.025 9 1HE MET 1 HE3 MET 1 -10.228 -16.113 -18.758 10 2HE MET 1 HE2 MET 1 -11.401 -17.386 -18.430 11 3HE MET 1 HE1 MET 1 -11.921 -15.898 -19.222 12 H GLU 2 HN GLU 2 -7.426 -10.630 -15.915 13 HA GLU 2 HA GLU 2 -9.528 -9.615 -14.228 14 1HB GLU 2 HB2 GLU 2 -8.185 -9.344 -12.266 15 2HB GLU 2 HB1 GLU 2 -8.219 -11.039 -12.732 16 1HG GLU 2 HG2 GLU 2 -6.026 -9.382 -13.808 17 2HG GLU 2 HG1 GLU 2 -5.959 -9.782 -12.102 18 H GLY 3 HN GLY 3 -9.182 -7.366 -13.601 19 1HA GLY 3 HA2 GLY 3 -7.083 -5.726 -14.327 20 2HA GLY 3 HA1 GLY 3 -8.108 -5.818 -15.754 21 H PHE 4 HN PHE 4 -7.858 -3.392 -14.826 22 HA PHE 4 HA PHE 4 -9.762 -2.637 -12.790 23 1HB PHE 4 HB2 PHE 4 -8.026 -1.169 -14.735 24 2HB PHE 4 HB1 PHE 4 -9.365 -0.314 -13.993 25 HD1 PHE 4 HD1 PHE 4 -9.512 -0.338 -11.419 26 HD2 PHE 4 HD2 PHE 4 -5.988 -1.359 -13.612 27 HE1 PHE 4 HE1 PHE 4 -8.138 0.068 -9.411 28 HE2 PHE 4 HE2 PHE 4 -4.622 -0.954 -11.607 29 HZ PHE 4 HZ PHE 4 -5.716 -0.163 -9.510 30 H LEU 5 HN LEU 5 -11.749 -1.617 -13.109 31 HA LEU 5 HA LEU 5 -12.889 -1.443 -15.803 32 1HB LEU 5 HB2 LEU 5 -13.579 -3.530 -13.810 33 2HB LEU 5 HB1 LEU 5 -14.950 -2.688 -14.509 34 HG LEU 5 HG LEU 5 -12.776 -4.062 -16.090 35 1HD1 LEU 5 HD13 LEU 5 -15.435 -4.958 -15.072 36 2HD1 LEU 5 HD12 LEU 5 -14.909 -5.512 -16.661 37 3HD1 LEU 5 HD11 LEU 5 -13.927 -5.860 -15.240 38 1HD2 LEU 5 HD23 LEU 5 -15.052 -2.321 -16.811 39 2HD2 LEU 5 HD22 LEU 5 -13.540 -2.625 -17.668 40 3HD2 LEU 5 HD21 LEU 5 -14.868 -3.781 -17.782 41 H ASN 6 HN ASN 6 -14.623 -0.055 -15.927 42 HA ASN 6 HA ASN 6 -15.063 1.743 -13.639 43 1HB ASN 6 HB2 ASN 6 -14.986 2.084 -16.448 44 2HB ASN 6 HB1 ASN 6 -16.669 2.306 -15.994 45 1HD2 ASN 6 HD22 ASN 6 -14.147 5.306 -15.493 46 2HD2 ASN 6 HD21 ASN 6 -13.896 3.918 -16.498 47 H ARG 7 HN ARG 7 -16.542 1.026 -12.213 48 HA ARG 7 HA ARG 7 -18.774 -0.651 -13.191 49 1HB ARG 7 HB2 ARG 7 -17.173 -1.667 -11.604 50 2HB ARG 7 HB1 ARG 7 -17.598 -0.440 -10.416 51 1HG ARG 7 HG2 ARG 7 -19.917 -1.227 -10.403 52 2HG ARG 7 HG1 ARG 7 -19.530 -2.425 -11.637 53 1HD ARG 7 HD2 ARG 7 -18.097 -3.626 -10.124 54 2HD ARG 7 HD1 ARG 7 -18.183 -2.334 -8.927 55 HE ARG 7 HE ARG 7 -20.534 -3.992 -9.691 56 1HH1 ARG 7 HH21 ARG 7 -20.426 -1.428 -7.784 57 2HH1 ARG 7 HH22 ARG 7 -20.667 -2.219 -6.247 58 1HH2 ARG 7 HH11 ARG 7 -19.946 -5.427 -7.476 59 2HH2 ARG 7 HH12 ARG 7 -20.349 -4.486 -6.075 60 H LYS 8 HN LYS 8 -20.816 -0.205 -12.743 61 HA LYS 8 HA LYS 8 -21.558 2.097 -11.043 62 1HB LYS 8 HB2 LYS 8 -21.598 2.715 -13.483 63 2HB LYS 8 HB1 LYS 8 -22.796 1.458 -13.730 64 1HG LYS 8 HG2 LYS 8 -24.172 2.665 -11.910 65 2HG LYS 8 HG1 LYS 8 -23.067 4.008 -12.155 66 1HD LYS 8 HD2 LYS 8 -24.343 4.674 -13.888 67 2HD LYS 8 HD1 LYS 8 -23.878 3.210 -14.739 68 1HE LYS 8 HE2 LYS 8 -26.084 2.713 -14.730 69 2HE LYS 8 HE1 LYS 8 -25.846 2.276 -13.047 70 1HZ LYS 8 HZ2 LYS 8 -26.398 4.646 -12.513 71 2HZ LYS 8 HZ1 LYS 8 -26.881 4.826 -14.138 72 3HZ LYS 8 HZ3 LYS 8 -27.678 3.705 -13.131 73 H HIS 9 HN HIS 9 -23.137 1.517 -9.622 74 HA HIS 9 HA HIS 9 -24.471 -1.084 -10.049 75 1HB HIS 9 HB2 HIS 9 -24.820 -1.237 -7.681 76 2HB HIS 9 HB1 HIS 9 -23.130 -0.917 -8.001 77 HD1 HIS 9 HD1 HIS 9 -24.292 -0.412 -5.246 78 HD2 HIS 9 HD2 HIS 9 -24.024 2.536 -8.140 79 HE1 HIS 9 HE1 HIS 9 -24.299 1.741 -3.982 80 H GLU 10 HN GLU 10 -26.364 -0.986 -10.917 81 HA GLU 10 HA GLU 10 -28.039 1.389 -10.763 82 1HB GLU 10 HB2 GLU 10 -27.657 -0.149 -12.827 83 2HB GLU 10 HB1 GLU 10 -28.825 -1.219 -12.060 84 1HG GLU 10 HG2 GLU 10 -30.175 0.078 -13.445 85 2HG GLU 10 HG1 GLU 10 -30.315 0.917 -11.901 86 H TRP 11 HN TRP 11 -28.142 -1.988 -9.702 87 HA TRP 11 HA TRP 11 -29.881 -1.328 -7.490 88 1HB TRP 11 HB2 TRP 11 -31.560 -1.504 -9.207 89 2HB TRP 11 HB1 TRP 11 -30.854 -2.985 -9.825 90 HD1 TRP 11 HD1 TRP 11 -32.782 -1.753 -6.653 91 HE1 TRP 11 HE1 TRP 11 -34.076 -3.759 -5.737 92 HE3 TRP 11 HE3 TRP 11 -31.090 -5.408 -9.807 93 HZ2 TRP 11 HZ2 TRP 11 -34.361 -6.513 -6.252 94 HZ3 TRP 11 HZ3 TRP 11 -31.922 -7.702 -9.551 95 HH2 TRP 11 HH2 TRP 11 -33.535 -8.254 -7.795 96 H GLU 12 HN GLU 12 -29.212 -2.514 -5.852 97 HA GLU 12 HA GLU 12 -28.531 -5.320 -6.066 98 1HB GLU 12 HB2 GLU 12 -26.264 -4.904 -4.926 99 2HB GLU 12 HB1 GLU 12 -26.368 -4.580 -6.653 100 1HG GLU 12 HG2 GLU 12 -26.320 -2.256 -6.362 101 2HG GLU 12 HG1 GLU 12 -26.845 -2.358 -4.683 102 H ALA 13 HN ALA 13 -30.583 -4.018 -4.812 103 HA ALA 13 HA ALA 13 -30.471 -5.002 -2.165 104 1HB ALA 13 HB2 ALA 13 -30.041 -2.041 -2.553 105 2HB ALA 13 HB1 ALA 13 -30.883 -2.636 -1.124 106 3HB ALA 13 HB3 ALA 13 -29.225 -3.138 -1.443 107 H HIS 14 HN HIS 14 -32.556 -5.188 -1.371 108 HA HIS 14 HA HIS 14 -34.700 -4.801 -3.235 109 1HB HIS 14 HB2 HIS 14 -34.438 -6.638 -1.465 110 2HB HIS 14 HB1 HIS 14 -35.029 -5.453 -0.308 111 HD1 HIS 14 HD1 HIS 14 -37.156 -6.877 0.078 112 HD2 HIS 14 HD2 HIS 14 -36.740 -5.558 -3.818 113 HE1 HIS 14 HE1 HIS 14 -39.394 -7.267 -0.978 114 H ASN 15 HN ASN 15 -35.150 -2.714 -3.698 115 HA ASN 15 HA ASN 15 -36.687 -1.172 -1.854 116 1HB ASN 15 HB2 ASN 15 -34.167 -0.699 -1.248 117 2HB ASN 15 HB1 ASN 15 -34.188 0.287 -2.706 118 1HD2 ASN 15 HD22 ASN 15 -36.258 1.454 0.609 119 2HD2 ASN 15 HD21 ASN 15 -35.598 -0.145 0.471 120 H LYS 16 HN LYS 16 -34.512 -0.388 -4.587 121 HA LYS 16 HA LYS 16 -36.508 -0.402 -6.589 122 1HB LYS 16 HB2 LYS 16 -36.408 2.184 -6.971 123 2HB LYS 16 HB1 LYS 16 -37.568 1.512 -5.839 124 1HG LYS 16 HG2 LYS 16 -36.593 2.503 -4.053 125 2HG LYS 16 HG1 LYS 16 -34.960 2.198 -4.632 126 1HD LYS 16 HD2 LYS 16 -35.015 4.494 -4.816 127 2HD LYS 16 HD1 LYS 16 -35.595 4.051 -6.416 128 1HE LYS 16 HE2 LYS 16 -37.071 5.737 -5.642 129 2HE LYS 16 HE1 LYS 16 -37.953 4.220 -5.482 130 1HZ LYS 16 HZ1 LYS 16 -36.452 4.826 -3.131 131 2HZ LYS 16 HZ3 LYS 16 -37.528 6.088 -3.523 132 3HZ LYS 16 HZ2 LYS 16 -38.119 4.500 -3.310 133 H LYS 17 HN LYS 17 -33.678 1.532 -5.620 134 HA LYS 17 HA LYS 17 -32.025 0.363 -7.682 135 1HB LYS 17 HB2 LYS 17 -31.421 2.669 -8.596 136 2HB LYS 17 HB1 LYS 17 -32.953 1.991 -9.116 137 1HG LYS 17 HG2 LYS 17 -34.185 3.550 -7.984 138 2HG LYS 17 HG1 LYS 17 -33.011 3.700 -6.684 139 1HD LYS 17 HD2 LYS 17 -33.022 5.772 -7.902 140 2HD LYS 17 HD1 LYS 17 -31.511 4.940 -8.260 141 1HE LYS 17 HE2 LYS 17 -32.340 5.789 -10.336 142 2HE LYS 17 HE1 LYS 17 -32.604 4.050 -10.357 143 1HZ LYS 17 HZ1 LYS 17 -34.683 6.019 -9.575 144 2HZ LYS 17 HZ3 LYS 17 -34.509 5.408 -11.157 145 3HZ LYS 17 HZ2 LYS 17 -34.889 4.358 -9.874 146 H ALA 18 HN ALA 18 -29.793 1.060 -7.482 147 HA ALA 18 HA ALA 18 -29.113 1.808 -4.707 148 1HB ALA 18 HB1 ALA 18 -28.263 -0.359 -5.739 149 2HB ALA 18 HB3 ALA 18 -27.262 0.642 -6.799 150 3HB ALA 18 HB2 ALA 18 -27.029 0.701 -5.051 151 H SER 19 HN SER 19 -27.790 3.566 -4.265 152 HA SER 19 HA SER 19 -26.514 5.065 -6.418 153 1HB SER 19 HB2 SER 19 -28.799 6.276 -4.829 154 2HB SER 19 HB1 SER 19 -27.694 7.190 -5.855 155 HG SER 19 HG SER 19 -28.668 5.084 -7.223 156 H SER 20 HN SER 20 -24.694 4.426 -5.167 157 HA SER 20 HA SER 20 -24.057 6.300 -3.016 158 1HB SER 20 HB2 SER 20 -23.593 3.362 -2.672 159 2HB SER 20 HB1 SER 20 -23.242 4.625 -1.510 160 HG SER 20 HG SER 20 -25.814 4.805 -2.194 161 H ARG 21 HN ARG 21 -22.873 7.185 -4.779 162 HA ARG 21 HA ARG 21 -20.748 7.691 -5.557 163 1HB ARG 21 HB2 ARG 21 -19.828 5.969 -3.845 164 2HB ARG 21 HB1 ARG 21 -19.804 4.846 -5.200 165 1HG ARG 21 HG2 ARG 21 -17.639 5.779 -5.145 166 2HG ARG 21 HG1 ARG 21 -18.459 6.620 -6.458 167 1HD ARG 21 HD2 ARG 21 -17.784 8.521 -5.450 168 2HD ARG 21 HD1 ARG 21 -19.056 8.199 -4.273 169 HE ARG 21 HE ARG 21 -16.959 6.768 -3.286 170 1HH1 ARG 21 HH21 ARG 21 -14.746 8.251 -4.137 171 2HH1 ARG 21 HH22 ARG 21 -14.685 9.674 -3.134 172 1HH2 ARG 21 HH11 ARG 21 -18.041 9.435 -2.117 173 2HH2 ARG 21 HH12 ARG 21 -16.567 10.371 -2.008 174 H SER 22 HN SER 22 -22.072 7.937 -7.398 175 HA SER 22 HA SER 22 -22.658 5.865 -9.250 176 1HB SER 22 HB2 SER 22 -22.532 8.869 -9.585 177 2HB SER 22 HB1 SER 22 -23.155 7.759 -10.804 178 HG SER 22 HG SER 22 -24.981 7.962 -9.777 179 H TRP 23 HN TRP 23 -21.264 4.782 -10.440 180 HA TRP 23 HA TRP 23 -19.557 4.198 -11.810 181 1HB TRP 23 HB2 TRP 23 -19.577 7.168 -12.322 182 2HB TRP 23 HB1 TRP 23 -18.342 6.140 -13.034 183 HD1 TRP 23 HD1 TRP 23 -21.831 7.326 -13.677 184 HE1 TRP 23 HE1 TRP 23 -22.866 5.972 -15.584 185 HE3 TRP 23 HE3 TRP 23 -18.375 3.573 -14.059 186 HZ2 TRP 23 HZ2 TRP 23 -22.308 3.631 -17.066 187 HZ3 TRP 23 HZ3 TRP 23 -18.669 1.829 -15.751 188 HH2 TRP 23 HH2 TRP 23 -20.621 1.854 -17.255 189 H HIS 24 HN HIS 24 -18.208 3.232 -10.467 190 HA HIS 24 HA HIS 24 -16.017 4.814 -9.246 191 1HB HIS 24 HB2 HIS 24 -15.976 2.826 -7.552 192 2HB HIS 24 HB1 HIS 24 -17.150 4.116 -7.345 193 HD1 HIS 24 HD1 HIS 24 -19.638 3.543 -8.033 194 HD2 HIS 24 HD2 HIS 24 -17.093 0.284 -7.902 195 HE1 HIS 24 HE1 HIS 24 -21.147 1.552 -8.027 196 H ASN 25 HN ASN 25 -14.020 4.206 -9.728 197 HA ASN 25 HA ASN 25 -13.579 2.103 -11.685 198 1HB ASN 25 HB2 ASN 25 -12.412 4.433 -11.514 199 2HB ASN 25 HB1 ASN 25 -11.394 3.666 -10.300 200 1HD2 ASN 25 HD22 ASN 25 -9.414 1.999 -12.651 201 2HD2 ASN 25 HD21 ASN 25 -9.712 2.427 -10.989 202 H VAL 26 HN VAL 26 -13.530 0.052 -10.996 203 HA VAL 26 HA VAL 26 -12.046 -0.615 -8.511 204 HB VAL 26 HB VAL 26 -14.599 -0.689 -8.396 205 1HG1 VAL 26 HG12 VAL 26 -14.684 -1.873 -10.715 206 2HG1 VAL 26 HG11 VAL 26 -14.410 -3.341 -9.770 207 3HG1 VAL 26 HG13 VAL 26 -15.825 -2.336 -9.450 208 1HG2 VAL 26 HG23 VAL 26 -12.952 -1.872 -6.865 209 2HG2 VAL 26 HG22 VAL 26 -14.603 -2.488 -6.901 210 3HG2 VAL 26 HG21 VAL 26 -13.329 -3.337 -7.776 211 H TYR 27 HN TYR 27 -11.365 -2.906 -8.426 212 HA TYR 27 HA TYR 27 -10.365 -3.813 -11.057 213 1HB TYR 27 HB2 TYR 27 -8.867 -3.270 -8.987 214 2HB TYR 27 HB1 TYR 27 -9.414 -4.828 -8.392 215 HD1 TYR 27 HD2 TYR 27 -8.746 -6.894 -9.499 216 HD2 TYR 27 HD1 TYR 27 -7.396 -3.098 -10.901 217 HE1 TYR 27 HE2 TYR 27 -7.032 -8.012 -10.866 218 HE2 TYR 27 HE1 TYR 27 -5.679 -4.216 -12.268 219 HH TYR 27 HH TYR 27 -5.527 -7.735 -12.546 220 H CYS 28 HN CYS 28 -11.133 -5.683 -11.897 221 HA CYS 28 HA CYS 28 -12.804 -7.426 -10.162 222 1HB CYS 28 HB2 CYS 28 -13.095 -7.000 -13.140 223 2HB CYS 28 HB1 CYS 28 -14.175 -7.898 -12.078 224 HG CYS 28 HG CYS 28 -13.891 -4.917 -11.393 225 H VAL 29 HN VAL 29 -12.316 -9.530 -10.072 226 HA VAL 29 HA VAL 29 -10.356 -10.672 -11.987 227 HB VAL 29 HB VAL 29 -10.532 -11.132 -8.995 228 1HG1 VAL 29 HG11 VAL 29 -8.924 -12.499 -11.137 229 2HG1 VAL 29 HG13 VAL 29 -8.391 -12.467 -9.454 230 3HG1 VAL 29 HG12 VAL 29 -9.930 -13.221 -9.879 231 1HG2 VAL 29 HG22 VAL 29 -9.283 -9.051 -10.196 232 2HG2 VAL 29 HG21 VAL 29 -8.744 -9.786 -8.691 233 3HG2 VAL 29 HG23 VAL 29 -7.992 -10.252 -10.217 234 H ILE 30 HN ILE 30 -11.348 -12.252 -13.124 235 HA ILE 30 HA ILE 30 -13.762 -13.543 -12.092 236 HB ILE 30 HB ILE 30 -12.359 -13.987 -14.735 237 1HG1 ILE 30 HG12 ILE 30 -14.533 -12.023 -13.988 238 2HG1 ILE 30 HG11 ILE 30 -12.915 -11.641 -14.559 239 1HG2 ILE 30 HG22 ILE 30 -15.109 -14.673 -13.700 240 2HG2 ILE 30 HG21 ILE 30 -14.709 -14.664 -15.416 241 3HG2 ILE 30 HG23 ILE 30 -13.877 -15.766 -14.323 242 1HD1 ILE 30 HD13 ILE 30 -14.696 -13.318 -16.289 243 2HD1 ILE 30 HD12 ILE 30 -14.955 -11.574 -16.213 244 3HD1 ILE 30 HD11 ILE 30 -13.400 -12.210 -16.747 245 H ASN 31 HN ASN 31 -13.928 -15.684 -11.550 246 HA ASN 31 HA ASN 31 -11.550 -17.409 -11.754 247 1HB ASN 31 HB2 ASN 31 -11.677 -16.168 -9.490 248 2HB ASN 31 HB1 ASN 31 -13.068 -17.191 -9.146 249 1HD2 ASN 31 HD22 ASN 31 -11.134 -20.205 -8.950 250 2HD2 ASN 31 HD21 ASN 31 -12.689 -19.566 -9.383 251 H ASN 32 HN ASN 32 -12.771 -18.439 -13.373 252 HA ASN 32 HA ASN 32 -14.032 -20.108 -14.238 253 1HB ASN 32 HB2 ASN 32 -12.983 -21.364 -12.350 254 2HB ASN 32 HB1 ASN 32 -14.418 -21.049 -11.383 255 1HD2 ASN 32 HD22 ASN 32 -15.619 -24.129 -12.580 256 2HD2 ASN 32 HD21 ASN 32 -15.022 -23.213 -11.225 257 H GLN 33 HN GLN 33 -16.025 -20.217 -11.334 258 HA GLN 33 HA GLN 33 -18.358 -19.376 -12.951 259 1HB GLN 33 HB2 GLN 33 -19.690 -20.588 -11.249 260 2HB GLN 33 HB1 GLN 33 -18.520 -21.616 -12.069 261 1HG GLN 33 HG2 GLN 33 -17.045 -21.601 -10.182 262 2HG GLN 33 HG1 GLN 33 -17.972 -20.334 -9.383 263 1HE2 GLN 33 HE22 GLN 33 -20.312 -22.530 -7.974 264 2HE2 GLN 33 HE21 GLN 33 -19.775 -20.886 -8.205 265 H GLU 34 HN GLU 34 -16.315 -17.916 -10.802 266 HA GLU 34 HA GLU 34 -18.421 -16.053 -9.928 267 1HB GLU 34 HB2 GLU 34 -17.547 -15.983 -7.646 268 2HB GLU 34 HB1 GLU 34 -18.043 -17.620 -8.063 269 1HG GLU 34 HG2 GLU 34 -15.547 -17.976 -8.699 270 2HG GLU 34 HG1 GLU 34 -15.258 -16.518 -7.757 271 H MET 35 HN MET 35 -17.347 -14.097 -8.865 272 HA MET 35 HA MET 35 -14.740 -13.435 -10.034 273 1HB MET 35 HB2 MET 35 -15.543 -11.330 -10.944 274 2HB MET 35 HB1 MET 35 -16.431 -12.663 -11.670 275 1HG MET 35 HG2 MET 35 -18.262 -12.259 -10.019 276 2HG MET 35 HG1 MET 35 -17.401 -10.826 -9.477 277 1HE MET 35 HE3 MET 35 -16.665 -8.996 -10.918 278 2HE MET 35 HE2 MET 35 -16.449 -9.468 -12.602 279 3HE MET 35 HE1 MET 35 -17.690 -8.290 -12.178 280 H GLY 36 HN GLY 36 -13.597 -11.976 -8.843 281 1HA GLY 36 HA2 GLY 36 -14.752 -11.181 -6.227 282 2HA GLY 36 HA1 GLY 36 -13.062 -11.599 -6.491 283 H PHE 37 HN PHE 37 -14.759 -9.071 -5.716 284 HA PHE 37 HA PHE 37 -13.639 -7.133 -7.625 285 1HB PHE 37 HB2 PHE 37 -15.621 -6.876 -5.359 286 2HB PHE 37 HB1 PHE 37 -14.965 -5.492 -6.227 287 HD1 PHE 37 HD1 PHE 37 -15.240 -5.481 -8.793 288 HD2 PHE 37 HD2 PHE 37 -17.541 -7.971 -6.185 289 HE1 PHE 37 HE1 PHE 37 -16.952 -5.736 -10.543 290 HE2 PHE 37 HE2 PHE 37 -19.252 -8.220 -7.946 291 HZ PHE 37 HZ PHE 37 -18.958 -7.110 -10.121 292 H TYR 38 HN TYR 38 -11.916 -5.908 -7.149 293 HA TYR 38 HA TYR 38 -10.933 -5.737 -4.364 294 1HB TYR 38 HB2 TYR 38 -9.250 -6.442 -6.780 295 2HB TYR 38 HB1 TYR 38 -8.634 -6.132 -5.164 296 HD1 TYR 38 HD1 TYR 38 -9.173 -7.699 -3.300 297 HD2 TYR 38 HD2 TYR 38 -10.167 -8.552 -7.359 298 HE1 TYR 38 HE1 TYR 38 -9.470 -10.075 -2.730 299 HE2 TYR 38 HE2 TYR 38 -10.461 -10.930 -6.791 300 HH TYR 38 HH TYR 38 -9.324 -12.451 -4.559 301 H LYS 39 HN LYS 39 -8.979 -4.159 -4.348 302 HA LYS 39 HA LYS 39 -9.952 -1.638 -5.404 303 1HB LYS 39 HB2 LYS 39 -8.907 -1.997 -3.112 304 2HB LYS 39 HB1 LYS 39 -7.355 -2.097 -3.935 305 1HG LYS 39 HG2 LYS 39 -7.482 0.151 -3.319 306 2HG LYS 39 HG1 LYS 39 -8.019 0.176 -4.995 307 1HD LYS 39 HD2 LYS 39 -10.349 0.259 -4.292 308 2HD LYS 39 HD1 LYS 39 -9.876 0.070 -2.607 309 1HE LYS 39 HE2 LYS 39 -10.381 2.398 -3.035 310 2HE LYS 39 HE1 LYS 39 -8.655 2.230 -2.737 311 1HZ LYS 39 HZ3 LYS 39 -9.668 2.145 -5.504 312 2HZ LYS 39 HZ2 LYS 39 -9.484 3.648 -4.718 313 3HZ LYS 39 HZ1 LYS 39 -8.141 2.624 -4.925 314 H ASP 40 HN ASP 40 -7.006 -3.597 -5.841 315 HA ASP 40 HA ASP 40 -6.688 -2.657 -8.567 316 1HB ASP 40 HB2 ASP 40 -4.550 -1.653 -8.345 317 2HB ASP 40 HB1 ASP 40 -5.545 -0.923 -7.090 318 H ALA 41 HN ALA 41 -4.062 -3.462 -8.947 319 HA ALA 41 HA ALA 41 -4.339 -6.279 -9.267 320 1HB ALA 41 HB3 ALA 41 -3.022 -4.723 -10.758 321 2HB ALA 41 HB2 ALA 41 -1.787 -4.671 -9.502 322 3HB ALA 41 HB1 ALA 41 -2.180 -6.200 -10.294 323 H LYS 42 HN LYS 42 -2.600 -4.259 -6.927 324 HA LYS 42 HA LYS 42 -1.132 -6.389 -5.694 325 1HB LYS 42 HB2 LYS 42 -1.875 -3.629 -4.699 326 2HB LYS 42 HB1 LYS 42 -0.806 -4.736 -3.847 327 1HG LYS 42 HG2 LYS 42 0.625 -4.797 -5.939 328 2HG LYS 42 HG1 LYS 42 -0.371 -3.486 -6.565 329 1HD LYS 42 HD2 LYS 42 1.623 -2.541 -5.572 330 2HD LYS 42 HD1 LYS 42 0.235 -2.116 -4.579 331 1HE LYS 42 HE2 LYS 42 2.295 -2.857 -3.310 332 2HE LYS 42 HE1 LYS 42 0.817 -3.721 -2.905 333 1HZ LYS 42 HZ1 LYS 42 2.803 -4.731 -4.868 334 2HZ LYS 42 HZ3 LYS 42 2.846 -5.126 -3.213 335 3HZ LYS 42 HZ2 LYS 42 1.510 -5.587 -4.156 336 H SER 43 HN SER 43 -4.152 -4.691 -4.888 337 HA SER 43 HA SER 43 -4.745 -6.117 -2.510 338 1HB SER 43 HB2 SER 43 -6.779 -4.892 -4.364 339 2HB SER 43 HB1 SER 43 -6.888 -5.130 -2.621 340 HG SER 43 HG SER 43 -5.214 -3.313 -4.041 341 H ALA 44 HN ALA 44 -5.308 -6.830 -5.890 342 HA ALA 44 HA ALA 44 -7.142 -9.018 -5.446 343 1HB ALA 44 HB2 ALA 44 -5.564 -8.145 -7.879 344 2HB ALA 44 HB1 ALA 44 -6.736 -9.465 -7.874 345 3HB ALA 44 HB3 ALA 44 -7.265 -7.818 -7.534 346 H ALA 45 HN ALA 45 -3.676 -8.682 -6.124 347 HA ALA 45 HA ALA 45 -3.081 -11.453 -6.371 348 1HB ALA 45 HB2 ALA 45 -1.287 -9.128 -5.633 349 2HB ALA 45 HB1 ALA 45 -0.733 -10.738 -6.099 350 3HB ALA 45 HB3 ALA 45 -1.599 -9.732 -7.262 351 H SER 46 HN SER 46 -2.801 -9.194 -3.620 352 HA SER 46 HA SER 46 -1.812 -11.186 -1.799 353 1HB SER 46 HB2 SER 46 -3.040 -8.490 -1.188 354 2HB SER 46 HB1 SER 46 -2.043 -9.462 -0.106 355 HG SER 46 HG SER 46 -1.044 -7.654 -1.501 356 H GLY 47 HN GLY 47 -4.982 -10.096 -2.759 357 1HA GLY 47 HA2 GLY 47 -7.028 -11.143 -2.423 358 2HA GLY 47 HA1 GLY 47 -6.254 -12.257 -1.301 359 H ILE 48 HN ILE 48 -6.783 -8.722 -1.465 360 HA ILE 48 HA ILE 48 -7.425 -8.678 1.409 361 HB ILE 48 HB ILE 48 -6.663 -6.596 -0.624 362 1HG1 ILE 48 HG12 ILE 48 -5.496 -6.783 2.107 363 2HG1 ILE 48 HG11 ILE 48 -5.131 -8.090 0.986 364 1HG2 ILE 48 HG23 ILE 48 -7.931 -6.095 2.070 365 2HG2 ILE 48 HG22 ILE 48 -6.942 -4.896 1.240 366 3HG2 ILE 48 HG21 ILE 48 -8.434 -5.471 0.500 367 1HD1 ILE 48 HD13 ILE 48 -4.760 -5.187 0.244 368 2HD1 ILE 48 HD12 ILE 48 -3.489 -6.134 1.022 369 3HD1 ILE 48 HD11 ILE 48 -4.104 -6.612 -0.560 370 HA PRO 49 HA PRO 49 -11.762 -8.607 0.331 371 1HB PRO 49 HB2 PRO 49 -12.764 -8.025 2.796 372 2HB PRO 49 HB1 PRO 49 -12.186 -9.627 2.317 373 1HG PRO 49 HG2 PRO 49 -10.838 -7.528 3.944 374 2HG PRO 49 HG1 PRO 49 -10.823 -9.287 4.144 375 1HD PRO 49 HD2 PRO 49 -8.776 -7.856 3.022 376 2HD PRO 49 HD1 PRO 49 -9.109 -9.560 2.657 377 H TYR 50 HN TYR 50 -12.589 -7.000 -0.809 378 HA TYR 50 HA TYR 50 -12.456 -4.206 0.157 379 1HB TYR 50 HB2 TYR 50 -11.341 -4.618 -1.977 380 2HB TYR 50 HB1 TYR 50 -12.800 -5.339 -2.631 381 HD1 TYR 50 HD1 TYR 50 -11.335 -2.170 -1.389 382 HD2 TYR 50 HD2 TYR 50 -14.503 -4.003 -3.589 383 HE1 TYR 50 HE1 TYR 50 -12.066 0.040 -2.187 384 HE2 TYR 50 HE2 TYR 50 -15.229 -1.788 -4.385 385 HH TYR 50 HH TYR 50 -14.392 1.035 -3.020 386 H HIS 51 HN HIS 51 -14.291 -3.107 0.521 387 HA HIS 51 HA HIS 51 -16.491 -2.563 0.733 388 1HB HIS 51 HB2 HIS 51 -16.298 -3.739 -1.846 389 2HB HIS 51 HB1 HIS 51 -17.755 -4.391 -1.122 390 HD1 HIS 51 HD1 HIS 51 -19.698 -3.030 -1.783 391 HD2 HIS 51 HD2 HIS 51 -16.332 -0.668 -1.273 392 HE1 HIS 51 HE1 HIS 51 -20.449 -0.698 -2.322 393 H SER 52 HN SER 52 -18.818 -4.169 0.531 394 HA SER 52 HA SER 52 -18.643 -5.607 3.037 395 1HB SER 52 HB2 SER 52 -21.007 -5.331 1.156 396 2HB SER 52 HB1 SER 52 -21.049 -5.853 2.840 397 HG SER 52 HG SER 52 -20.932 -3.311 1.794 398 H GLU 53 HN GLU 53 -19.750 -6.523 -0.250 399 HA GLU 53 HA GLU 53 -19.026 -9.334 0.342 400 1HB GLU 53 HB2 GLU 53 -20.523 -9.919 -1.548 401 2HB GLU 53 HB1 GLU 53 -21.358 -9.136 -0.213 402 1HG GLU 53 HG2 GLU 53 -20.550 -7.066 -1.992 403 2HG GLU 53 HG1 GLU 53 -21.219 -8.352 -2.989 404 H VAL 54 HN VAL 54 -17.166 -9.952 -0.497 405 HA VAL 54 HA VAL 54 -15.905 -8.449 -2.646 406 HB VAL 54 HB VAL 54 -14.646 -10.899 -1.498 407 1HG1 VAL 54 HG11 VAL 54 -13.536 -9.526 -3.231 408 2HG1 VAL 54 HG13 VAL 54 -13.560 -8.151 -2.120 409 3HG1 VAL 54 HG12 VAL 54 -12.631 -9.597 -1.719 410 1HG2 VAL 54 HG21 VAL 54 -15.125 -8.352 0.035 411 2HG2 VAL 54 HG23 VAL 54 -15.465 -10.012 0.532 412 3HG2 VAL 54 HG22 VAL 54 -13.799 -9.454 0.409 413 HA PRO 55 HA PRO 55 -16.362 -12.581 -4.935 414 1HB PRO 55 HB2 PRO 55 -17.415 -14.765 -3.723 415 2HB PRO 55 HB1 PRO 55 -15.724 -14.280 -3.563 416 1HG PRO 55 HG2 PRO 55 -17.882 -14.174 -1.593 417 2HG PRO 55 HG1 PRO 55 -16.135 -14.094 -1.344 418 1HD PRO 55 HD2 PRO 55 -18.056 -11.932 -1.415 419 2HD PRO 55 HD1 PRO 55 -16.331 -11.867 -1.017 420 H VAL 56 HN VAL 56 -17.833 -12.559 -6.495 421 HA VAL 56 HA VAL 56 -20.722 -12.739 -5.848 422 HB VAL 56 HB VAL 56 -19.386 -11.104 -8.016 423 1HG1 VAL 56 HG11 VAL 56 -22.262 -11.782 -7.500 424 2HG1 VAL 56 HG13 VAL 56 -21.823 -10.260 -8.272 425 3HG1 VAL 56 HG12 VAL 56 -21.372 -11.792 -9.023 426 1HG2 VAL 56 HG23 VAL 56 -20.647 -10.427 -5.390 427 2HG2 VAL 56 HG22 VAL 56 -19.163 -9.800 -6.120 428 3HG2 VAL 56 HG21 VAL 56 -20.737 -9.275 -6.722 429 H SER 57 HN SER 57 -21.806 -14.287 -6.945 430 HA SER 57 HA SER 57 -20.290 -16.139 -8.566 431 1HB SER 57 HB2 SER 57 -23.057 -16.177 -7.424 432 2HB SER 57 HB1 SER 57 -22.370 -17.480 -8.368 433 HG SER 57 HG SER 57 -21.920 -16.785 -5.747 434 H LEU 58 HN LEU 58 -20.322 -16.214 -10.719 435 HA LEU 58 HA LEU 58 -22.217 -14.573 -12.253 436 1HB LEU 58 HB2 LEU 58 -19.756 -16.158 -13.049 437 2HB LEU 58 HB1 LEU 58 -20.775 -15.289 -14.194 438 HG LEU 58 HG LEU 58 -19.418 -13.985 -11.838 439 1HD1 LEU 58 HD21 LEU 58 -18.519 -14.112 -14.719 440 2HD1 LEU 58 HD23 LEU 58 -17.788 -13.110 -13.465 441 3HD1 LEU 58 HD22 LEU 58 -17.721 -14.868 -13.341 442 1HD2 LEU 58 HD11 LEU 58 -21.316 -13.082 -13.859 443 2HD2 LEU 58 HD13 LEU 58 -20.833 -12.323 -12.344 444 3HD2 LEU 58 HD12 LEU 58 -19.863 -12.085 -13.796 445 H LYS 59 HN LYS 59 -23.566 -16.492 -11.000 446 HA LYS 59 HA LYS 59 -23.809 -18.943 -12.501 447 1HB LYS 59 HB2 LYS 59 -24.546 -18.085 -9.954 448 2HB LYS 59 HB1 LYS 59 -26.086 -18.267 -10.783 449 1HG LYS 59 HG2 LYS 59 -24.018 -20.432 -10.990 450 2HG LYS 59 HG1 LYS 59 -25.006 -20.303 -9.540 451 1HD LYS 59 HD2 LYS 59 -27.045 -20.407 -10.970 452 2HD LYS 59 HD1 LYS 59 -26.010 -20.664 -12.373 453 1HE LYS 59 HE2 LYS 59 -26.116 -22.450 -9.931 454 2HE LYS 59 HE1 LYS 59 -26.909 -22.782 -11.466 455 1HZ LYS 59 HZ2 LYS 59 -24.628 -22.616 -12.491 456 2HZ LYS 59 HZ1 LYS 59 -24.008 -22.645 -10.901 457 3HZ LYS 59 HZ3 LYS 59 -24.898 -23.969 -11.487 458 H GLU 60 HN GLU 60 -24.322 -18.497 -14.606 459 HA GLU 60 HA GLU 60 -25.562 -17.965 -16.449 460 1HB GLU 60 HB2 GLU 60 -27.943 -17.962 -14.578 461 2HB GLU 60 HB1 GLU 60 -27.951 -18.221 -16.322 462 1HG GLU 60 HG2 GLU 60 -26.163 -20.146 -15.409 463 2HG GLU 60 HG1 GLU 60 -27.384 -20.106 -14.140 464 H ALA 61 HN ALA 61 -24.253 -15.884 -15.670 465 HA ALA 61 HA ALA 61 -25.897 -13.577 -15.046 466 1HB ALA 61 HB2 ALA 61 -23.590 -13.738 -14.210 467 2HB ALA 61 HB1 ALA 61 -22.985 -13.754 -15.870 468 3HB ALA 61 HB3 ALA 61 -23.796 -12.322 -15.236 469 H ILE 62 HN ILE 62 -27.054 -12.510 -16.511 470 HA ILE 62 HA ILE 62 -26.631 -12.877 -19.357 471 HB ILE 62 HB ILE 62 -28.543 -11.054 -17.880 472 1HG1 ILE 62 HG12 ILE 62 -29.125 -13.706 -19.214 473 2HG1 ILE 62 HG11 ILE 62 -28.848 -13.528 -17.485 474 1HG2 ILE 62 HG23 ILE 62 -27.916 -11.393 -20.715 475 2HG2 ILE 62 HG22 ILE 62 -29.633 -11.603 -20.352 476 3HG2 ILE 62 HG21 ILE 62 -28.805 -10.109 -19.899 477 1HD1 ILE 62 HD12 ILE 62 -31.031 -12.146 -19.057 478 2HD1 ILE 62 HD11 ILE 62 -31.249 -13.550 -18.010 479 3HD1 ILE 62 HD13 ILE 62 -30.757 -12.000 -17.320 480 H CYS 63 HN CYS 63 -25.481 -11.588 -20.642 481 HA CYS 63 HA CYS 63 -24.576 -8.962 -19.605 482 1HB CYS 63 HB2 CYS 63 -22.906 -10.990 -19.710 483 2HB CYS 63 HB1 CYS 63 -22.866 -10.623 -21.427 484 HG CYS 63 HG CYS 63 -22.310 -8.168 -19.725 485 H GLU 64 HN GLU 64 -24.874 -7.284 -20.924 486 HA GLU 64 HA GLU 64 -25.529 -7.739 -23.780 487 1HB GLU 64 HB2 GLU 64 -26.963 -5.753 -21.998 488 2HB GLU 64 HB1 GLU 64 -27.342 -6.175 -23.664 489 1HG GLU 64 HG2 GLU 64 -27.874 -8.500 -22.887 490 2HG GLU 64 HG1 GLU 64 -27.649 -7.945 -21.228 491 H VAL 65 HN VAL 65 -24.059 -6.663 -24.948 492 HA VAL 65 HA VAL 65 -22.383 -4.617 -23.885 493 HB VAL 65 HB VAL 65 -21.302 -5.794 -25.508 494 1HG1 VAL 65 HG22 VAL 65 -23.908 -5.953 -26.929 495 2HG1 VAL 65 HG21 VAL 65 -22.412 -6.174 -27.838 496 3HG1 VAL 65 HG23 VAL 65 -22.773 -7.237 -26.476 497 1HG2 VAL 65 HG12 VAL 65 -21.164 -3.355 -26.033 498 2HG2 VAL 65 HG11 VAL 65 -20.853 -4.416 -27.405 499 3HG2 VAL 65 HG13 VAL 65 -22.413 -3.607 -27.258 500 H ALA 66 HN ALA 66 -22.452 -2.470 -24.093 501 HA ALA 66 HA ALA 66 -24.726 -1.200 -25.501 502 1HB ALA 66 HB1 ALA 66 -24.986 -1.256 -22.988 503 2HB ALA 66 HB3 ALA 66 -23.536 -0.253 -22.881 504 3HB ALA 66 HB2 ALA 66 -24.978 0.352 -23.700 505 H LEU 67 HN LEU 67 -23.344 -0.898 -27.271 506 HA LEU 67 HA LEU 67 -20.789 0.372 -27.094 507 1HB LEU 67 HB2 LEU 67 -22.126 -1.041 -29.028 508 2HB LEU 67 HB1 LEU 67 -22.206 0.595 -29.669 509 HG LEU 67 HG LEU 67 -19.691 0.719 -29.174 510 1HD1 LEU 67 HD11 LEU 67 -20.232 -2.193 -28.729 511 2HD1 LEU 67 HD13 LEU 67 -18.688 -1.679 -29.404 512 3HD1 LEU 67 HD12 LEU 67 -19.193 -1.098 -27.818 513 1HD2 LEU 67 HD22 LEU 67 -20.768 0.447 -31.443 514 2HD2 LEU 67 HD21 LEU 67 -19.118 -0.160 -31.306 515 3HD2 LEU 67 HD23 LEU 67 -20.476 -1.282 -31.283 516 H ASP 68 HN ASP 68 -23.985 1.623 -27.009 517 HA ASP 68 HA ASP 68 -22.916 4.369 -27.224 518 1HB ASP 68 HB2 ASP 68 -24.134 3.557 -29.370 519 2HB ASP 68 HB1 ASP 68 -25.606 3.683 -28.415 520 H TYR 69 HN TYR 69 -23.206 3.211 -24.814 521 HA TYR 69 HA TYR 69 -25.815 3.657 -23.649 522 1HB TYR 69 HB2 TYR 69 -24.371 2.028 -22.585 523 2HB TYR 69 HB1 TYR 69 -23.087 3.216 -22.403 524 HD1 TYR 69 HD1 TYR 69 -26.715 2.862 -21.509 525 HD2 TYR 69 HD2 TYR 69 -22.815 4.106 -20.291 526 HE1 TYR 69 HE1 TYR 69 -27.587 3.446 -19.281 527 HE2 TYR 69 HE2 TYR 69 -23.694 4.684 -18.065 528 HH TYR 69 HH TYR 69 -25.554 4.163 -16.618 529 H LYS 70 HN LYS 70 -26.529 5.736 -23.770 530 HA LYS 70 HA LYS 70 -26.739 7.966 -23.338 531 1HB LYS 70 HB2 LYS 70 -24.155 7.735 -21.756 532 2HB LYS 70 HB1 LYS 70 -25.258 9.100 -21.753 533 1HG LYS 70 HG2 LYS 70 -27.003 7.182 -21.074 534 2HG LYS 70 HG1 LYS 70 -25.534 6.424 -20.478 535 1HD LYS 70 HD2 LYS 70 -25.660 7.677 -18.631 536 2HD LYS 70 HD1 LYS 70 -25.417 9.116 -19.617 537 1HE LYS 70 HE2 LYS 70 -28.078 7.833 -18.945 538 2HE LYS 70 HE1 LYS 70 -27.453 9.331 -18.267 539 1HZ LYS 70 HZ2 LYS 70 -27.355 10.029 -20.770 540 2HZ LYS 70 HZ1 LYS 70 -28.533 8.808 -20.947 541 3HZ LYS 70 HZ3 LYS 70 -28.818 10.119 -19.894 542 H LYS 71 HN LYS 71 -23.213 7.820 -23.395 543 HA LYS 71 HA LYS 71 -22.859 8.375 -26.140 544 1HB LYS 71 HB2 LYS 71 -23.791 10.634 -25.020 545 2HB LYS 71 HB1 LYS 71 -22.097 10.823 -24.596 546 1HG LYS 71 HG2 LYS 71 -22.327 11.913 -26.679 547 2HG LYS 71 HG1 LYS 71 -21.588 10.366 -27.065 548 1HD LYS 71 HD2 LYS 71 -24.408 9.994 -27.142 549 2HD LYS 71 HD1 LYS 71 -24.059 11.477 -28.019 550 1HE LYS 71 HE2 LYS 71 -22.951 10.395 -29.690 551 2HE LYS 71 HE1 LYS 71 -22.304 9.157 -28.623 552 1HZ LYS 71 HZ1 LYS 71 -25.152 9.000 -28.867 553 2HZ LYS 71 HZ3 LYS 71 -24.371 8.870 -30.377 554 3HZ LYS 71 HZ2 LYS 71 -23.970 7.793 -29.118 555 H LYS 72 HN LYS 72 -21.818 6.608 -24.210 556 HA LYS 72 HA LYS 72 -19.071 7.518 -23.661 557 1HB LYS 72 HB2 LYS 72 -20.480 4.980 -22.807 558 2HB LYS 72 HB1 LYS 72 -18.893 5.519 -22.271 559 1HG LYS 72 HG2 LYS 72 -21.531 6.911 -21.741 560 2HG LYS 72 HG1 LYS 72 -20.557 6.031 -20.569 561 1HD LYS 72 HD2 LYS 72 -18.716 7.664 -20.924 562 2HD LYS 72 HD1 LYS 72 -19.768 8.577 -22.002 563 1HE LYS 72 HE2 LYS 72 -21.384 8.429 -19.857 564 2HE LYS 72 HE1 LYS 72 -19.827 8.335 -19.040 565 1HZ LYS 72 HZ1 LYS 72 -19.172 10.376 -20.217 566 2HZ LYS 72 HZ3 LYS 72 -20.742 10.484 -20.875 567 3HZ LYS 72 HZ2 LYS 72 -20.513 10.604 -19.189 568 H LYS 73 HN LYS 73 -17.375 5.729 -23.937 569 HA LYS 73 HA LYS 73 -17.176 5.135 -26.725 570 1HB LYS 73 HB2 LYS 73 -15.456 4.322 -24.375 571 2HB LYS 73 HB1 LYS 73 -15.046 4.015 -26.061 572 1HG LYS 73 HG2 LYS 73 -14.905 6.361 -26.543 573 2HG LYS 73 HG1 LYS 73 -15.621 6.782 -24.993 574 1HD LYS 73 HD2 LYS 73 -13.184 7.155 -25.008 575 2HD LYS 73 HD1 LYS 73 -13.663 5.958 -23.808 576 1HE LYS 73 HE2 LYS 73 -11.639 5.259 -25.014 577 2HE LYS 73 HE1 LYS 73 -12.971 4.147 -25.316 578 1HZ LYS 73 HZ2 LYS 73 -12.089 6.331 -27.122 579 2HZ LYS 73 HZ1 LYS 73 -11.782 4.669 -27.349 580 3HZ LYS 73 HZ3 LYS 73 -13.380 5.254 -27.431 581 H HIS 74 HN HIS 74 -16.585 2.718 -24.182 582 HA HIS 74 HA HIS 74 -18.383 0.814 -25.564 583 1HB HIS 74 HB2 HIS 74 -15.448 0.570 -25.049 584 2HB HIS 74 HB1 HIS 74 -16.428 -0.871 -24.822 585 HD1 HIS 74 HD1 HIS 74 -17.278 1.516 -27.565 586 HD2 HIS 74 HD2 HIS 74 -15.323 -2.098 -27.092 587 HE1 HIS 74 HE1 HIS 74 -16.944 0.650 -29.889 588 H VAL 75 HN VAL 75 -19.898 0.386 -24.107 589 HA VAL 75 HA VAL 75 -19.110 -0.255 -21.318 590 HB VAL 75 HB VAL 75 -21.607 1.128 -22.339 591 1HG1 VAL 75 HG13 VAL 75 -20.958 -0.006 -19.633 592 2HG1 VAL 75 HG12 VAL 75 -22.060 1.355 -19.810 593 3HG1 VAL 75 HG11 VAL 75 -22.433 -0.182 -20.587 594 1HG2 VAL 75 HG22 VAL 75 -19.459 2.469 -22.069 595 2HG2 VAL 75 HG21 VAL 75 -20.877 3.058 -21.205 596 3HG2 VAL 75 HG23 VAL 75 -19.627 2.176 -20.336 597 H PHE 76 HN PHE 76 -20.318 -1.969 -20.331 598 HA PHE 76 HA PHE 76 -22.154 -3.467 -22.044 599 1HB PHE 76 HB2 PHE 76 -21.095 -5.584 -21.734 600 2HB PHE 76 HB1 PHE 76 -19.940 -4.481 -22.449 601 HD1 PHE 76 HD2 PHE 76 -20.819 -6.387 -19.438 602 HD2 PHE 76 HD1 PHE 76 -17.952 -3.782 -21.244 603 HE1 PHE 76 HE2 PHE 76 -19.216 -6.901 -17.640 604 HE2 PHE 76 HE1 PHE 76 -16.351 -4.296 -19.443 605 HZ PHE 76 HZ PHE 76 -16.933 -5.984 -17.728 606 H LYS 77 HN LYS 77 -23.752 -4.381 -21.002 607 HA LYS 77 HA LYS 77 -24.109 -3.707 -18.189 608 1HB LYS 77 HB2 LYS 77 -25.841 -3.308 -19.979 609 2HB LYS 77 HB1 LYS 77 -26.036 -5.055 -20.083 610 1HG LYS 77 HG2 LYS 77 -26.976 -5.216 -17.960 611 2HG LYS 77 HG1 LYS 77 -26.304 -3.672 -17.434 612 1HD LYS 77 HD2 LYS 77 -27.809 -2.629 -19.252 613 2HD LYS 77 HD1 LYS 77 -28.639 -4.185 -19.255 614 1HE LYS 77 HE2 LYS 77 -29.009 -3.931 -16.800 615 2HE LYS 77 HE1 LYS 77 -28.290 -2.326 -16.896 616 1HZ LYS 77 HZ3 LYS 77 -30.437 -2.858 -18.771 617 2HZ LYS 77 HZ2 LYS 77 -30.883 -2.799 -17.129 618 3HZ LYS 77 HZ1 LYS 77 -30.102 -1.466 -17.841 619 H LEU 78 HN LEU 78 -24.674 -5.174 -16.600 620 HA LEU 78 HA LEU 78 -24.276 -8.044 -17.122 621 1HB LEU 78 HB2 LEU 78 -22.461 -6.352 -15.674 622 2HB LEU 78 HB1 LEU 78 -23.217 -7.452 -14.532 623 HG LEU 78 HG LEU 78 -21.669 -8.149 -17.017 624 1HD1 LEU 78 HD21 LEU 78 -21.215 -8.425 -14.066 625 2HD1 LEU 78 HD23 LEU 78 -20.418 -9.519 -15.192 626 3HD1 LEU 78 HD22 LEU 78 -20.140 -7.784 -15.307 627 1HD2 LEU 78 HD12 LEU 78 -23.769 -9.675 -15.683 628 2HD2 LEU 78 HD11 LEU 78 -22.948 -9.979 -17.219 629 3HD2 LEU 78 HD13 LEU 78 -22.229 -10.534 -15.703 630 H ARG 79 HN ARG 79 -26.098 -8.976 -16.565 631 HA ARG 79 HA ARG 79 -27.654 -7.979 -14.239 632 1HB ARG 79 HB2 ARG 79 -28.527 -7.974 -16.815 633 2HB ARG 79 HB1 ARG 79 -29.032 -9.589 -16.331 634 1HG ARG 79 HG2 ARG 79 -30.034 -8.412 -14.251 635 2HG ARG 79 HG1 ARG 79 -29.857 -6.932 -15.193 636 1HD ARG 79 HD2 ARG 79 -31.206 -8.002 -17.019 637 2HD ARG 79 HD1 ARG 79 -31.482 -9.378 -15.951 638 HE ARG 79 HE ARG 79 -32.221 -6.981 -14.603 639 1HH1 ARG 79 HH11 ARG 79 -34.072 -9.184 -14.382 640 2HH1 ARG 79 HH12 ARG 79 -35.396 -8.753 -15.436 641 1HH2 ARG 79 HH21 ARG 79 -33.509 -6.398 -17.263 642 2HH2 ARG 79 HH22 ARG 79 -35.058 -7.192 -17.122 643 H LEU 80 HN LEU 80 -27.303 -9.347 -12.591 644 HA LEU 80 HA LEU 80 -26.552 -12.109 -12.969 645 1HB LEU 80 HB2 LEU 80 -27.285 -10.588 -10.453 646 2HB LEU 80 HB1 LEU 80 -26.586 -12.202 -10.502 647 HG LEU 80 HG LEU 80 -25.317 -9.588 -11.300 648 1HD1 LEU 80 HD12 LEU 80 -25.264 -11.082 -8.945 649 2HD1 LEU 80 HD11 LEU 80 -23.726 -11.437 -9.734 650 3HD1 LEU 80 HD13 LEU 80 -24.180 -9.765 -9.391 651 1HD2 LEU 80 HD22 LEU 80 -24.488 -12.379 -12.061 652 2HD2 LEU 80 HD21 LEU 80 -24.645 -10.954 -13.089 653 3HD2 LEU 80 HD23 LEU 80 -23.317 -11.065 -11.931 654 H SER 81 HN SER 81 -27.738 -13.927 -12.149 655 HA SER 81 HA SER 81 -30.542 -13.808 -12.845 656 1HB SER 81 HB2 SER 81 -28.617 -15.727 -13.061 657 2HB SER 81 HB1 SER 81 -29.511 -16.305 -11.657 658 HG SER 81 HG SER 81 -31.038 -16.922 -12.971 659 H ASP 82 HN ASP 82 -28.792 -13.610 -9.861 660 HA ASP 82 HA ASP 82 -30.982 -14.569 -8.219 661 1HB ASP 82 HB2 ASP 82 -28.442 -14.660 -7.661 662 2HB ASP 82 HB1 ASP 82 -28.652 -12.993 -7.142 663 H GLY 83 HN GLY 83 -29.321 -11.384 -8.133 664 1HA GLY 83 HA2 GLY 83 -31.554 -9.792 -8.700 665 2HA GLY 83 HA1 GLY 83 -31.537 -10.047 -6.956 666 H ASN 84 HN ASN 84 -29.138 -9.317 -9.527 667 HA ASN 84 HA ASN 84 -28.314 -6.877 -8.135 668 1HB ASN 84 HB2 ASN 84 -26.492 -9.245 -8.642 669 2HB ASN 84 HB1 ASN 84 -25.862 -7.606 -8.557 670 1HD2 ASN 84 HD22 ASN 84 -25.934 -7.450 -5.060 671 2HD2 ASN 84 HD21 ASN 84 -25.462 -6.739 -6.573 672 H GLU 85 HN GLU 85 -27.582 -5.339 -9.602 673 HA GLU 85 HA GLU 85 -27.251 -6.115 -12.440 674 1HB GLU 85 HB2 GLU 85 -29.194 -4.099 -11.297 675 2HB GLU 85 HB1 GLU 85 -28.684 -4.071 -12.990 676 1HG GLU 85 HG2 GLU 85 -29.460 -6.475 -13.140 677 2HG GLU 85 HG1 GLU 85 -30.159 -6.277 -11.540 678 H TYR 86 HN TYR 86 -25.604 -5.030 -13.431 679 HA TYR 86 HA TYR 86 -24.634 -2.465 -12.348 680 1HB TYR 86 HB2 TYR 86 -22.781 -4.804 -12.835 681 2HB TYR 86 HB1 TYR 86 -22.346 -3.220 -12.210 682 HD1 TYR 86 HD1 TYR 86 -23.049 -2.542 -9.928 683 HD2 TYR 86 HD2 TYR 86 -23.599 -6.492 -11.427 684 HE1 TYR 86 HE1 TYR 86 -23.401 -3.363 -7.635 685 HE2 TYR 86 HE2 TYR 86 -23.935 -7.318 -9.144 686 HH TYR 86 HH TYR 86 -23.893 -6.830 -6.972 687 H LEU 87 HN LEU 87 -23.092 -1.421 -13.742 688 HA LEU 87 HA LEU 87 -23.153 -2.249 -16.594 689 1HB LEU 87 HB2 LEU 87 -22.951 0.609 -15.585 690 2HB LEU 87 HB1 LEU 87 -23.077 0.087 -17.256 691 HG LEU 87 HG LEU 87 -25.200 0.060 -15.127 692 1HD1 LEU 87 HD12 LEU 87 -24.833 2.144 -16.418 693 2HD1 LEU 87 HD11 LEU 87 -25.167 1.249 -17.902 694 3HD1 LEU 87 HD13 LEU 87 -26.433 1.443 -16.686 695 1HD2 LEU 87 HD21 LEU 87 -24.984 -1.634 -17.552 696 2HD2 LEU 87 HD23 LEU 87 -25.850 -1.913 -16.042 697 3HD2 LEU 87 HD22 LEU 87 -26.537 -0.852 -17.268 698 H PHE 88 HN PHE 88 -21.141 -2.397 -17.519 699 HA PHE 88 HA PHE 88 -18.825 -1.474 -15.922 700 1HB PHE 88 HB2 PHE 88 -19.294 -4.063 -17.358 701 2HB PHE 88 HB1 PHE 88 -17.666 -3.497 -17.004 702 HD1 PHE 88 HD1 PHE 88 -16.972 -3.137 -14.618 703 HD2 PHE 88 HD2 PHE 88 -20.646 -5.031 -15.690 704 HE1 PHE 88 HE1 PHE 88 -17.160 -4.052 -12.339 705 HE2 PHE 88 HE2 PHE 88 -20.835 -5.952 -13.418 706 HZ PHE 88 HZ PHE 88 -19.024 -5.485 -11.741 707 H GLN 89 HN GLN 89 -17.399 -0.227 -16.943 708 HA GLN 89 HA GLN 89 -17.582 0.086 -19.889 709 1HB GLN 89 HB2 GLN 89 -18.063 2.074 -18.317 710 2HB GLN 89 HB1 GLN 89 -16.336 2.066 -17.995 711 1HG GLN 89 HG2 GLN 89 -15.836 2.449 -20.337 712 2HG GLN 89 HG1 GLN 89 -17.544 2.325 -20.752 713 1HE2 GLN 89 HE22 GLN 89 -16.047 5.730 -19.056 714 2HE2 GLN 89 HE21 GLN 89 -15.100 4.279 -19.219 715 H ALA 90 HN ALA 90 -15.921 -0.607 -21.058 716 HA ALA 90 HA ALA 90 -13.508 -1.635 -19.783 717 1HB ALA 90 HB3 ALA 90 -14.695 -2.846 -21.618 718 2HB ALA 90 HB2 ALA 90 -14.239 -1.542 -22.719 719 3HB ALA 90 HB1 ALA 90 -12.994 -2.536 -21.965 720 H LYS 91 HN LYS 91 -11.338 -1.137 -20.924 721 HA LYS 91 HA LYS 91 -11.186 1.758 -21.602 722 1HB LYS 91 HB2 LYS 91 -9.251 2.006 -20.230 723 2HB LYS 91 HB1 LYS 91 -10.510 1.257 -19.259 724 1HG LYS 91 HG2 LYS 91 -8.897 -0.776 -20.550 725 2HG LYS 91 HG1 LYS 91 -7.882 0.339 -19.646 726 1HD LYS 91 HD2 LYS 91 -9.399 -0.011 -17.677 727 2HD LYS 91 HD1 LYS 91 -10.214 -1.270 -18.606 728 1HE LYS 91 HE2 LYS 91 -7.502 -1.900 -18.841 729 2HE LYS 91 HE1 LYS 91 -7.665 -1.362 -17.175 730 1HZ LYS 91 HZ3 LYS 91 -9.469 -3.376 -18.382 731 2HZ LYS 91 HZ2 LYS 91 -8.011 -3.792 -17.597 732 3HZ LYS 91 HZ1 LYS 91 -9.261 -3.004 -16.740 733 H ASP 92 HN ASP 92 -10.548 -1.296 -22.867 734 HA ASP 92 HA ASP 92 -8.511 -0.134 -24.659 735 1HB ASP 92 HB2 ASP 92 -7.511 -1.623 -22.813 736 2HB ASP 92 HB1 ASP 92 -8.243 -2.971 -23.670 737 H ASP 93 HN ASP 93 -11.194 -0.306 -25.283 738 HA ASP 93 HA ASP 93 -12.679 -1.013 -26.917 739 1HB ASP 93 HB2 ASP 93 -10.057 -1.717 -28.271 740 2HB ASP 93 HB1 ASP 93 -11.622 -1.746 -29.079 741 H GLU 94 HN GLU 94 -10.431 -3.510 -27.850 742 HA GLU 94 HA GLU 94 -12.233 -5.610 -28.069 743 1HB GLU 94 HB2 GLU 94 -9.271 -5.753 -27.463 744 2HB GLU 94 HB1 GLU 94 -10.249 -7.092 -28.051 745 1HG GLU 94 HG2 GLU 94 -9.956 -4.477 -29.552 746 2HG GLU 94 HG1 GLU 94 -8.904 -5.865 -29.816 747 H GLU 95 HN GLU 95 -10.665 -4.387 -25.243 748 HA GLU 95 HA GLU 95 -10.733 -6.511 -23.441 749 1HB GLU 95 HB2 GLU 95 -9.837 -4.117 -23.183 750 2HB GLU 95 HB1 GLU 95 -11.475 -3.688 -22.718 751 1HG GLU 95 HG2 GLU 95 -11.171 -5.720 -21.049 752 2HG GLU 95 HG1 GLU 95 -9.460 -5.369 -21.283 753 H MET 96 HN MET 96 -13.293 -4.305 -24.455 754 HA MET 96 HA MET 96 -15.332 -4.978 -22.643 755 1HB MET 96 HB2 MET 96 -15.306 -3.068 -24.287 756 2HB MET 96 HB1 MET 96 -15.676 -4.228 -25.555 757 1HG MET 96 HG2 MET 96 -17.684 -4.859 -23.958 758 2HG MET 96 HG1 MET 96 -17.385 -3.260 -23.293 759 1HE MET 96 HE1 MET 96 -17.237 -4.851 -26.860 760 2HE MET 96 HE3 MET 96 -18.877 -5.278 -26.354 761 3HE MET 96 HE2 MET 96 -18.625 -4.116 -27.656 762 H ASN 97 HN ASN 97 -14.403 -6.450 -25.738 763 HA ASN 97 HA ASN 97 -16.518 -8.399 -25.788 764 1HB ASN 97 HB2 ASN 97 -15.405 -7.641 -27.840 765 2HB ASN 97 HB1 ASN 97 -13.874 -8.300 -27.275 766 1HD2 ASN 97 HD22 ASN 97 -14.525 -11.390 -28.726 767 2HD2 ASN 97 HD21 ASN 97 -13.402 -10.145 -28.261 768 H THR 98 HN THR 98 -13.161 -8.335 -24.689 769 HA THR 98 HA THR 98 -12.815 -11.079 -24.096 770 HB THR 98 HB THR 98 -11.535 -8.783 -22.601 771 HG1 THR 98 HG1 THR 98 -11.518 -8.959 -25.150 772 1HG2 THR 98 HG21 THR 98 -10.595 -11.578 -23.269 773 2HG2 THR 98 HG23 THR 98 -9.592 -10.337 -22.522 774 3HG2 THR 98 HG22 THR 98 -11.008 -10.958 -21.675 775 H TRP 99 HN TRP 99 -14.124 -8.386 -22.181 776 HA TRP 99 HA TRP 99 -14.444 -9.827 -19.732 777 1HB TRP 99 HB2 TRP 99 -15.569 -7.248 -20.815 778 2HB TRP 99 HB1 TRP 99 -16.152 -7.907 -19.293 779 HD1 TRP 99 HD1 TRP 99 -13.618 -5.552 -20.537 780 HE1 TRP 99 HE1 TRP 99 -11.822 -5.133 -18.768 781 HE3 TRP 99 HE3 TRP 99 -14.619 -9.416 -17.313 782 HZ2 TRP 99 HZ2 TRP 99 -10.919 -6.246 -16.355 783 HZ3 TRP 99 HZ3 TRP 99 -13.241 -9.669 -15.293 784 HH2 TRP 99 HH2 TRP 99 -11.410 -8.101 -14.817 785 H ILE 100 HN ILE 100 -16.806 -8.864 -22.249 786 HA ILE 100 HA ILE 100 -19.077 -10.120 -21.213 787 HB ILE 100 HB ILE 100 -18.272 -9.517 -24.062 788 1HG1 ILE 100 HG12 ILE 100 -20.304 -8.199 -22.258 789 2HG1 ILE 100 HG11 ILE 100 -18.658 -7.618 -22.468 790 1HG2 ILE 100 HG22 ILE 100 -20.819 -10.717 -23.001 791 2HG2 ILE 100 HG21 ILE 100 -20.817 -9.731 -24.459 792 3HG2 ILE 100 HG23 ILE 100 -19.861 -11.208 -24.397 793 1HD1 ILE 100 HD11 ILE 100 -19.225 -7.590 -24.996 794 2HD1 ILE 100 HD13 ILE 100 -20.907 -7.677 -24.469 795 3HD1 ILE 100 HD12 ILE 100 -19.888 -6.320 -23.974 796 H GLN 101 HN GLN 101 -16.715 -11.418 -23.554 797 HA GLN 101 HA GLN 101 -17.900 -13.943 -23.931 798 1HB GLN 101 HB2 GLN 101 -15.020 -13.061 -24.157 799 2HB GLN 101 HB1 GLN 101 -15.598 -14.648 -24.656 800 1HG GLN 101 HG2 GLN 101 -17.208 -12.440 -25.743 801 2HG GLN 101 HG1 GLN 101 -15.523 -12.381 -26.248 802 1HE2 GLN 101 HE22 GLN 101 -17.896 -15.516 -27.431 803 2HE2 GLN 101 HE21 GLN 101 -18.327 -14.546 -26.052 804 H ALA 102 HN ALA 102 -15.414 -12.912 -21.592 805 HA ALA 102 HA ALA 102 -14.945 -15.459 -20.439 806 1HB ALA 102 HB3 ALA 102 -13.416 -13.546 -20.172 807 2HB ALA 102 HB2 ALA 102 -14.626 -12.716 -19.191 808 3HB ALA 102 HB1 ALA 102 -13.893 -14.212 -18.607 809 H ILE 103 HN ILE 103 -17.160 -12.822 -19.513 810 HA ILE 103 HA ILE 103 -18.179 -14.100 -17.170 811 HB ILE 103 HB ILE 103 -19.313 -11.891 -18.894 812 1HG1 ILE 103 HG12 ILE 103 -18.111 -11.541 -16.166 813 2HG1 ILE 103 HG11 ILE 103 -17.061 -11.658 -17.571 814 1HG2 ILE 103 HG23 ILE 103 -20.289 -13.083 -16.319 815 2HG2 ILE 103 HG22 ILE 103 -20.546 -11.374 -16.664 816 3HG2 ILE 103 HG21 ILE 103 -21.206 -12.596 -17.748 817 1HD1 ILE 103 HD13 ILE 103 -18.419 -9.797 -18.623 818 2HD1 ILE 103 HD12 ILE 103 -19.202 -9.596 -17.055 819 3HD1 ILE 103 HD11 ILE 103 -17.466 -9.335 -17.212 820 H SER 104 HN SER 104 -19.357 -13.907 -20.527 821 HA SER 104 HA SER 104 -21.805 -15.292 -20.119 822 1HB SER 104 HB2 SER 104 -20.179 -15.106 -22.668 823 2HB SER 104 HB1 SER 104 -21.894 -15.490 -22.540 824 HG SER 104 HG SER 104 -20.592 -13.026 -21.974 825 H SER 105 HN SER 105 -18.532 -16.422 -20.657 826 HA SER 105 HA SER 105 -19.366 -19.182 -21.156 827 1HB SER 105 HB2 SER 105 -16.583 -18.050 -20.819 828 2HB SER 105 HB1 SER 105 -17.008 -19.634 -21.467 829 HG SER 105 HG SER 105 -17.384 -17.071 -22.617 830 H ALA 106 HN ALA 106 -19.449 -17.494 -18.430 831 HA ALA 106 HA ALA 106 -17.969 -19.264 -16.645 832 1HB ALA 106 HB2 ALA 106 -18.152 -16.817 -16.197 833 2HB ALA 106 HB1 ALA 106 -19.892 -17.020 -15.966 834 3HB ALA 106 HB3 ALA 106 -18.754 -17.810 -14.869 No H/Q in entry = 834 Start of MODEL 27 1 1H MET 1 HT2 MET 1 -9.655 -8.888 -19.502 2 2H MET 1 HT1 MET 1 -9.068 -9.996 -20.650 3 3H MET 1 HT3 MET 1 -10.481 -10.357 -19.770 4 HA MET 1 HA MET 1 -9.187 -11.492 -18.409 5 1HB MET 1 HB2 MET 1 -6.795 -11.463 -18.440 6 2HB MET 1 HB1 MET 1 -7.351 -11.349 -20.107 7 1HG MET 1 HG2 MET 1 -7.113 -8.783 -19.785 8 2HG MET 1 HG1 MET 1 -6.154 -9.195 -18.372 9 1HE MET 1 HE2 MET 1 -3.888 -9.824 -18.296 10 2HE MET 1 HE1 MET 1 -4.076 -11.437 -18.982 11 3HE MET 1 HE3 MET 1 -2.845 -10.337 -19.621 12 H GLU 2 HN GLU 2 -7.807 -11.137 -16.372 13 HA GLU 2 HA GLU 2 -9.011 -9.457 -14.562 14 1HB GLU 2 HB2 GLU 2 -6.230 -10.614 -14.663 15 2HB GLU 2 HB1 GLU 2 -6.718 -9.577 -13.330 16 1HG GLU 2 HG2 GLU 2 -7.008 -12.003 -12.847 17 2HG GLU 2 HG1 GLU 2 -8.493 -11.074 -12.716 18 H GLY 3 HN GLY 3 -9.056 -7.286 -14.218 19 1HA GLY 3 HA2 GLY 3 -6.876 -5.531 -14.377 20 2HA GLY 3 HA1 GLY 3 -7.706 -5.466 -15.921 21 H PHE 4 HN PHE 4 -7.820 -3.200 -15.071 22 HA PHE 4 HA PHE 4 -9.757 -2.596 -13.019 23 1HB PHE 4 HB2 PHE 4 -8.186 -0.946 -14.972 24 2HB PHE 4 HB1 PHE 4 -9.461 -0.225 -14.004 25 HD1 PHE 4 HD1 PHE 4 -9.337 -0.864 -11.413 26 HD2 PHE 4 HD2 PHE 4 -6.034 -0.849 -14.122 27 HE1 PHE 4 HE1 PHE 4 -7.787 -0.586 -9.520 28 HE2 PHE 4 HE2 PHE 4 -4.484 -0.570 -12.229 29 HZ PHE 4 HZ PHE 4 -5.360 -0.436 -9.929 30 H LEU 5 HN LEU 5 -11.760 -1.797 -13.224 31 HA LEU 5 HA LEU 5 -13.056 -1.408 -15.814 32 1HB LEU 5 HB2 LEU 5 -13.621 -3.686 -13.946 33 2HB LEU 5 HB1 LEU 5 -14.997 -2.889 -14.693 34 HG LEU 5 HG LEU 5 -12.678 -4.170 -16.149 35 1HD1 LEU 5 HD13 LEU 5 -15.445 -5.073 -15.475 36 2HD1 LEU 5 HD12 LEU 5 -14.709 -5.601 -16.985 37 3HD1 LEU 5 HD11 LEU 5 -13.924 -5.972 -15.452 38 1HD2 LEU 5 HD22 LEU 5 -15.021 -2.562 -17.101 39 2HD2 LEU 5 HD21 LEU 5 -13.330 -2.496 -17.610 40 3HD2 LEU 5 HD23 LEU 5 -14.351 -3.837 -18.119 41 H ASN 6 HN ASN 6 -14.813 0.011 -15.619 42 HA ASN 6 HA ASN 6 -15.092 1.340 -13.008 43 1HB ASN 6 HB2 ASN 6 -16.433 2.014 -15.621 44 2HB ASN 6 HB1 ASN 6 -16.482 2.972 -14.168 45 1HD2 ASN 6 HD22 ASN 6 -13.936 4.833 -15.708 46 2HD2 ASN 6 HD21 ASN 6 -15.628 4.739 -15.331 47 H ARG 7 HN ARG 7 -16.678 0.739 -11.620 48 HA ARG 7 HA ARG 7 -18.840 -0.994 -12.678 49 1HB ARG 7 HB2 ARG 7 -17.419 -2.104 -11.060 50 2HB ARG 7 HB1 ARG 7 -17.640 -0.795 -9.906 51 1HG ARG 7 HG2 ARG 7 -19.977 -1.342 -9.634 52 2HG ARG 7 HG1 ARG 7 -19.903 -2.514 -10.949 53 1HD ARG 7 HD2 ARG 7 -19.002 -4.127 -9.633 54 2HD ARG 7 HD1 ARG 7 -17.956 -2.987 -8.787 55 HE ARG 7 HE ARG 7 -20.629 -2.540 -7.957 56 1HH1 ARG 7 HH21 ARG 7 -18.254 -2.999 -6.058 57 2HH1 ARG 7 HH22 ARG 7 -18.727 -4.471 -5.270 58 1HH2 ARG 7 HH11 ARG 7 -21.150 -5.306 -7.652 59 2HH2 ARG 7 HH12 ARG 7 -20.363 -5.802 -6.185 60 H LYS 8 HN LYS 8 -20.883 -0.424 -12.503 61 HA LYS 8 HA LYS 8 -21.792 1.580 -10.576 62 1HB LYS 8 HB2 LYS 8 -21.210 2.893 -12.567 63 2HB LYS 8 HB1 LYS 8 -22.228 1.876 -13.566 64 1HG LYS 8 HG2 LYS 8 -23.697 2.892 -11.278 65 2HG LYS 8 HG1 LYS 8 -22.970 4.213 -12.185 66 1HD LYS 8 HD2 LYS 8 -24.215 3.774 -14.087 67 2HD LYS 8 HD1 LYS 8 -24.435 2.074 -13.677 68 1HE LYS 8 HE2 LYS 8 -26.377 2.490 -12.647 69 2HE LYS 8 HE1 LYS 8 -25.655 3.748 -11.654 70 1HZ LYS 8 HZ2 LYS 8 -25.856 5.038 -13.949 71 2HZ LYS 8 HZ1 LYS 8 -27.167 3.961 -14.123 72 3HZ LYS 8 HZ3 LYS 8 -27.098 5.013 -12.781 73 H HIS 9 HN HIS 9 -23.414 0.529 -9.598 74 HA HIS 9 HA HIS 9 -24.921 -1.524 -10.990 75 1HB HIS 9 HB2 HIS 9 -26.091 -1.826 -8.824 76 2HB HIS 9 HB1 HIS 9 -24.355 -2.018 -8.717 77 HD1 HIS 9 HD1 HIS 9 -25.682 -1.584 -6.163 78 HD2 HIS 9 HD2 HIS 9 -24.477 1.633 -8.473 79 HE1 HIS 9 HE1 HIS 9 -25.491 0.333 -4.558 80 H GLU 10 HN GLU 10 -26.865 -1.269 -11.895 81 HA GLU 10 HA GLU 10 -28.042 1.425 -11.928 82 1HB GLU 10 HB2 GLU 10 -27.505 0.103 -14.042 83 2HB GLU 10 HB1 GLU 10 -28.841 -0.958 -13.607 84 1HG GLU 10 HG2 GLU 10 -29.658 0.689 -15.171 85 2HG GLU 10 HG1 GLU 10 -30.348 1.040 -13.588 86 H TRP 11 HN TRP 11 -28.923 -1.928 -11.250 87 HA TRP 11 HA TRP 11 -31.211 -0.999 -9.635 88 1HB TRP 11 HB2 TRP 11 -32.144 -1.753 -11.730 89 2HB TRP 11 HB1 TRP 11 -31.194 -3.225 -11.685 90 HD1 TRP 11 HD1 TRP 11 -34.284 -1.614 -10.024 91 HE1 TRP 11 HE1 TRP 11 -35.665 -3.486 -8.974 92 HE3 TRP 11 HE3 TRP 11 -31.116 -5.552 -10.761 93 HZ2 TRP 11 HZ2 TRP 11 -35.477 -6.252 -8.509 94 HZ3 TRP 11 HZ3 TRP 11 -31.782 -7.795 -10.002 95 HH2 TRP 11 HH2 TRP 11 -33.936 -8.142 -8.888 96 H GLU 12 HN GLU 12 -31.117 -1.765 -7.642 97 HA GLU 12 HA GLU 12 -29.303 -4.015 -7.009 98 1HB GLU 12 HB2 GLU 12 -29.945 -2.728 -4.609 99 2HB GLU 12 HB1 GLU 12 -28.448 -2.593 -5.512 100 1HG GLU 12 HG2 GLU 12 -29.126 -0.370 -5.139 101 2HG GLU 12 HG1 GLU 12 -29.562 -0.677 -6.812 102 H ALA 13 HN ALA 13 -32.558 -2.844 -6.743 103 HA ALA 13 HA ALA 13 -34.508 -4.093 -6.483 104 1HB ALA 13 HB1 ALA 13 -33.032 -6.226 -6.653 105 2HB ALA 13 HB3 ALA 13 -33.091 -6.216 -4.887 106 3HB ALA 13 HB2 ALA 13 -34.581 -6.329 -5.821 107 H HIS 14 HN HIS 14 -32.906 -2.250 -4.614 108 HA HIS 14 HA HIS 14 -34.420 -2.777 -2.110 109 1HB HIS 14 HB2 HIS 14 -31.774 -1.430 -2.626 110 2HB HIS 14 HB1 HIS 14 -32.708 -1.040 -1.187 111 HD1 HIS 14 HD1 HIS 14 -32.532 -2.630 0.739 112 HD2 HIS 14 HD2 HIS 14 -30.998 -4.264 -2.747 113 HE1 HIS 14 HE1 HIS 14 -31.470 -4.789 1.443 114 H ASN 15 HN ASN 15 -33.058 0.032 -3.852 115 HA ASN 15 HA ASN 15 -35.476 1.605 -3.188 116 1HB ASN 15 HB2 ASN 15 -33.069 2.449 -2.818 117 2HB ASN 15 HB1 ASN 15 -32.979 2.614 -4.568 118 1HD2 ASN 15 HD22 ASN 15 -35.324 5.160 -2.361 119 2HD2 ASN 15 HD21 ASN 15 -34.806 3.633 -1.712 120 H LYS 16 HN LYS 16 -34.631 -0.493 -5.487 121 HA LYS 16 HA LYS 16 -35.469 -1.063 -7.520 122 1HB LYS 16 HB2 LYS 16 -37.093 1.489 -7.507 123 2HB LYS 16 HB1 LYS 16 -37.359 0.055 -8.486 124 1HG LYS 16 HG2 LYS 16 -37.571 0.121 -5.463 125 2HG LYS 16 HG1 LYS 16 -38.933 0.237 -6.567 126 1HD LYS 16 HD2 LYS 16 -37.076 -2.091 -6.855 127 2HD LYS 16 HD1 LYS 16 -38.201 -2.081 -5.507 128 1HE LYS 16 HE2 LYS 16 -40.089 -2.033 -6.935 129 2HE LYS 16 HE1 LYS 16 -39.120 -1.601 -8.340 130 1HZ LYS 16 HZ2 LYS 16 -38.349 -4.086 -7.069 131 2HZ LYS 16 HZ1 LYS 16 -39.922 -4.096 -7.740 132 3HZ LYS 16 HZ3 LYS 16 -38.587 -3.730 -8.720 133 H LYS 17 HN LYS 17 -33.301 1.095 -6.952 134 HA LYS 17 HA LYS 17 -32.047 1.123 -9.373 135 1HB LYS 17 HB2 LYS 17 -32.368 3.569 -10.054 136 2HB LYS 17 HB1 LYS 17 -33.642 2.445 -10.495 137 1HG LYS 17 HG2 LYS 17 -35.156 3.409 -9.088 138 2HG LYS 17 HG1 LYS 17 -33.939 3.816 -7.879 139 1HD LYS 17 HD2 LYS 17 -34.776 5.864 -8.860 140 2HD LYS 17 HD1 LYS 17 -33.108 5.631 -9.381 141 1HE LYS 17 HE2 LYS 17 -35.244 4.506 -11.134 142 2HE LYS 17 HE1 LYS 17 -35.103 6.257 -11.076 143 1HZ LYS 17 HZ1 LYS 17 -32.736 4.559 -11.573 144 2HZ LYS 17 HZ3 LYS 17 -33.788 4.997 -12.831 145 3HZ LYS 17 HZ2 LYS 17 -32.974 6.206 -11.951 146 H ALA 18 HN ALA 18 -30.108 2.342 -9.341 147 HA ALA 18 HA ALA 18 -29.049 2.809 -6.718 148 1HB ALA 18 HB1 ALA 18 -27.971 3.105 -9.515 149 2HB ALA 18 HB3 ALA 18 -27.023 3.585 -8.105 150 3HB ALA 18 HB2 ALA 18 -27.548 1.916 -8.283 151 H SER 19 HN SER 19 -27.552 4.879 -6.553 152 HA SER 19 HA SER 19 -29.259 7.266 -6.962 153 1HB SER 19 HB2 SER 19 -27.144 6.814 -4.834 154 2HB SER 19 HB1 SER 19 -28.279 8.158 -4.931 155 HG SER 19 HG SER 19 -29.008 5.418 -4.607 156 H SER 20 HN SER 20 -27.690 9.313 -6.753 157 HA SER 20 HA SER 20 -25.905 9.127 -9.012 158 1HB SER 20 HB2 SER 20 -26.379 11.516 -7.277 159 2HB SER 20 HB1 SER 20 -25.772 11.502 -8.922 160 HG SER 20 HG SER 20 -27.942 10.364 -9.325 161 H ARG 21 HN ARG 21 -24.955 7.531 -6.982 162 HA ARG 21 HA ARG 21 -22.357 8.785 -6.378 163 1HB ARG 21 HB2 ARG 21 -23.892 8.818 -4.331 164 2HB ARG 21 HB1 ARG 21 -23.807 7.061 -4.349 165 1HG ARG 21 HG2 ARG 21 -21.145 8.130 -4.567 166 2HG ARG 21 HG1 ARG 21 -21.959 8.916 -3.220 167 1HD ARG 21 HD2 ARG 21 -22.088 5.920 -3.494 168 2HD ARG 21 HD1 ARG 21 -20.644 6.684 -2.830 169 HE ARG 21 HE ARG 21 -22.964 7.712 -1.534 170 1HH1 ARG 21 HH21 ARG 21 -20.290 6.592 -0.339 171 2HH1 ARG 21 HH22 ARG 21 -20.912 5.299 0.658 172 1HH2 ARG 21 HH11 ARG 21 -24.061 5.235 -0.930 173 2HH2 ARG 21 HH12 ARG 21 -23.076 4.535 0.337 174 H SER 22 HN SER 22 -22.728 7.278 -8.530 175 HA SER 22 HA SER 22 -21.576 4.638 -7.850 176 1HB SER 22 HB2 SER 22 -23.385 5.245 -10.196 177 2HB SER 22 HB1 SER 22 -22.822 3.677 -9.634 178 HG SER 22 HG SER 22 -24.802 5.344 -8.551 179 H TRP 23 HN TRP 23 -20.962 3.804 -10.359 180 HA TRP 23 HA TRP 23 -19.338 3.808 -11.936 181 1HB TRP 23 HB2 TRP 23 -20.218 6.675 -11.979 182 2HB TRP 23 HB1 TRP 23 -18.738 6.258 -12.828 183 HD1 TRP 23 HD1 TRP 23 -22.108 6.862 -13.731 184 HE1 TRP 23 HE1 TRP 23 -22.855 5.482 -15.749 185 HE3 TRP 23 HE3 TRP 23 -18.427 3.302 -13.793 186 HZ2 TRP 23 HZ2 TRP 23 -22.056 3.193 -17.166 187 HZ3 TRP 23 HZ3 TRP 23 -18.481 1.550 -15.492 188 HH2 TRP 23 HH2 TRP 23 -20.277 1.487 -17.177 189 H HIS 24 HN HIS 24 -17.953 3.034 -10.256 190 HA HIS 24 HA HIS 24 -15.782 4.933 -9.563 191 1HB HIS 24 HB2 HIS 24 -15.383 3.458 -7.541 192 2HB HIS 24 HB1 HIS 24 -16.833 4.447 -7.490 193 HD1 HIS 24 HD1 HIS 24 -18.923 3.242 -6.897 194 HD2 HIS 24 HD2 HIS 24 -15.999 0.628 -8.220 195 HE1 HIS 24 HE1 HIS 24 -19.900 0.957 -6.580 196 H ASN 25 HN ASN 25 -13.691 4.223 -9.846 197 HA ASN 25 HA ASN 25 -13.299 2.051 -11.704 198 1HB ASN 25 HB2 ASN 25 -10.922 2.680 -11.638 199 2HB ASN 25 HB1 ASN 25 -11.953 4.078 -11.910 200 1HD2 ASN 25 HD22 ASN 25 -9.299 4.294 -9.010 201 2HD2 ASN 25 HD21 ASN 25 -9.248 3.238 -10.395 202 H VAL 26 HN VAL 26 -13.199 -0.002 -11.128 203 HA VAL 26 HA VAL 26 -11.954 -0.749 -8.546 204 HB VAL 26 HB VAL 26 -14.598 -0.835 -8.893 205 1HG1 VAL 26 HG11 VAL 26 -14.359 -2.353 -10.893 206 2HG1 VAL 26 HG13 VAL 26 -13.847 -3.614 -9.767 207 3HG1 VAL 26 HG12 VAL 26 -15.460 -2.911 -9.634 208 1HG2 VAL 26 HG22 VAL 26 -13.024 -1.633 -6.951 209 2HG2 VAL 26 HG21 VAL 26 -14.721 -2.107 -7.005 210 3HG2 VAL 26 HG23 VAL 26 -13.479 -3.235 -7.546 211 H TYR 27 HN TYR 27 -11.198 -2.990 -8.498 212 HA TYR 27 HA TYR 27 -10.110 -3.825 -11.125 213 1HB TYR 27 HB2 TYR 27 -8.628 -3.265 -9.066 214 2HB TYR 27 HB1 TYR 27 -9.141 -4.828 -8.457 215 HD1 TYR 27 HD2 TYR 27 -8.711 -6.887 -9.926 216 HD2 TYR 27 HD1 TYR 27 -6.891 -3.089 -10.615 217 HE1 TYR 27 HE2 TYR 27 -6.951 -7.968 -11.270 218 HE2 TYR 27 HE1 TYR 27 -5.136 -4.164 -11.948 219 HH TYR 27 HH TYR 27 -5.122 -6.626 -13.372 220 H CYS 28 HN CYS 28 -11.195 -5.440 -12.045 221 HA CYS 28 HA CYS 28 -12.737 -7.320 -10.363 222 1HB CYS 28 HB2 CYS 28 -12.926 -6.699 -13.317 223 2HB CYS 28 HB1 CYS 28 -13.953 -7.832 -12.445 224 HG CYS 28 HG CYS 28 -14.015 -4.951 -11.379 225 H VAL 29 HN VAL 29 -12.435 -9.473 -10.457 226 HA VAL 29 HA VAL 29 -10.445 -10.627 -12.305 227 HB VAL 29 HB VAL 29 -10.547 -11.069 -9.308 228 1HG1 VAL 29 HG12 VAL 29 -9.349 -12.632 -11.478 229 2HG1 VAL 29 HG11 VAL 29 -8.215 -12.205 -10.199 230 3HG1 VAL 29 HG13 VAL 29 -9.693 -13.085 -9.809 231 1HG2 VAL 29 HG21 VAL 29 -8.797 -9.416 -11.059 232 2HG2 VAL 29 HG23 VAL 29 -9.370 -9.112 -9.417 233 3HG2 VAL 29 HG22 VAL 29 -8.055 -10.252 -9.696 234 H ILE 30 HN ILE 30 -11.098 -12.570 -13.109 235 HA ILE 30 HA ILE 30 -13.654 -13.685 -12.080 236 HB ILE 30 HB ILE 30 -12.437 -14.331 -14.755 237 1HG1 ILE 30 HG12 ILE 30 -14.049 -11.905 -13.970 238 2HG1 ILE 30 HG11 ILE 30 -12.542 -11.972 -14.878 239 1HG2 ILE 30 HG22 ILE 30 -15.241 -14.386 -13.635 240 2HG2 ILE 30 HG21 ILE 30 -14.845 -14.706 -15.323 241 3HG2 ILE 30 HG23 ILE 30 -14.235 -15.772 -14.056 242 1HD1 ILE 30 HD13 ILE 30 -14.269 -13.479 -16.422 243 2HD1 ILE 30 HD12 ILE 30 -15.294 -12.174 -15.820 244 3HD1 ILE 30 HD11 ILE 30 -13.821 -11.800 -16.713 245 H ASN 31 HN ASN 31 -13.697 -15.613 -11.220 246 HA ASN 31 HA ASN 31 -11.406 -17.454 -11.556 247 1HB ASN 31 HB2 ASN 31 -11.416 -16.333 -9.317 248 2HB ASN 31 HB1 ASN 31 -13.004 -17.025 -9.014 249 1HD2 ASN 31 HD22 ASN 31 -11.508 -19.855 -7.629 250 2HD2 ASN 31 HD21 ASN 31 -12.667 -18.561 -7.507 251 H ASN 32 HN ASN 32 -12.904 -18.062 -13.342 252 HA ASN 32 HA ASN 32 -14.211 -19.638 -14.310 253 1HB ASN 32 HB2 ASN 32 -13.083 -21.025 -12.389 254 2HB ASN 32 HB1 ASN 32 -14.688 -21.025 -11.676 255 1HD2 ASN 32 HD22 ASN 32 -13.830 -23.577 -14.613 256 2HD2 ASN 32 HD21 ASN 32 -12.663 -22.670 -13.697 257 H GLN 33 HN GLN 33 -16.118 -20.352 -11.526 258 HA GLN 33 HA GLN 33 -18.463 -19.177 -12.793 259 1HB GLN 33 HB2 GLN 33 -17.935 -21.434 -11.123 260 2HB GLN 33 HB1 GLN 33 -19.096 -20.412 -10.289 261 1HG GLN 33 HG2 GLN 33 -20.532 -21.681 -11.551 262 2HG GLN 33 HG1 GLN 33 -20.262 -20.349 -12.671 263 1HE2 GLN 33 HE22 GLN 33 -19.001 -22.470 -15.137 264 2HE2 GLN 33 HE21 GLN 33 -19.746 -20.963 -14.689 265 H GLU 34 HN GLU 34 -16.213 -18.038 -10.538 266 HA GLU 34 HA GLU 34 -18.203 -16.130 -9.446 267 1HB GLU 34 HB2 GLU 34 -16.778 -16.158 -7.340 268 2HB GLU 34 HB1 GLU 34 -17.757 -17.589 -7.644 269 1HG GLU 34 HG2 GLU 34 -15.947 -18.933 -8.077 270 2HG GLU 34 HG1 GLU 34 -14.978 -17.605 -8.705 271 H MET 35 HN MET 35 -17.303 -14.089 -8.791 272 HA MET 35 HA MET 35 -14.688 -13.405 -9.971 273 1HB MET 35 HB2 MET 35 -15.573 -11.351 -10.923 274 2HB MET 35 HB1 MET 35 -16.426 -12.735 -11.591 275 1HG MET 35 HG2 MET 35 -18.281 -12.336 -10.019 276 2HG MET 35 HG1 MET 35 -17.439 -10.924 -9.392 277 1HE MET 35 HE3 MET 35 -16.790 -8.933 -10.679 278 2HE MET 35 HE2 MET 35 -16.343 -9.441 -12.305 279 3HE MET 35 HE1 MET 35 -17.660 -8.295 -12.082 280 H GLY 36 HN GLY 36 -13.648 -11.632 -8.980 281 1HA GLY 36 HA2 GLY 36 -14.707 -10.897 -6.311 282 2HA GLY 36 HA1 GLY 36 -13.011 -11.222 -6.624 283 H PHE 37 HN PHE 37 -14.746 -8.813 -5.768 284 HA PHE 37 HA PHE 37 -13.818 -6.785 -7.706 285 1HB PHE 37 HB2 PHE 37 -15.813 -6.645 -5.425 286 2HB PHE 37 HB1 PHE 37 -15.300 -5.252 -6.370 287 HD1 PHE 37 HD1 PHE 37 -15.583 -5.471 -8.985 288 HD2 PHE 37 HD2 PHE 37 -17.681 -7.824 -6.097 289 HE1 PHE 37 HE1 PHE 37 -17.331 -5.969 -10.653 290 HE2 PHE 37 HE2 PHE 37 -19.420 -8.314 -7.765 291 HZ PHE 37 HZ PHE 37 -19.211 -7.361 -10.090 292 H TYR 38 HN TYR 38 -11.831 -6.042 -7.248 293 HA TYR 38 HA TYR 38 -11.065 -5.647 -4.403 294 1HB TYR 38 HB2 TYR 38 -9.305 -6.348 -6.759 295 2HB TYR 38 HB1 TYR 38 -8.739 -6.029 -5.123 296 HD1 TYR 38 HD1 TYR 38 -9.414 -7.558 -3.264 297 HD2 TYR 38 HD2 TYR 38 -10.165 -8.457 -7.364 298 HE1 TYR 38 HE1 TYR 38 -9.757 -9.925 -2.681 299 HE2 TYR 38 HE2 TYR 38 -10.493 -10.825 -6.788 300 HH TYR 38 HH TYR 38 -9.962 -12.013 -3.498 301 H LYS 39 HN LYS 39 -9.095 -4.065 -4.316 302 HA LYS 39 HA LYS 39 -10.030 -1.513 -5.315 303 1HB LYS 39 HB2 LYS 39 -9.120 -1.845 -3.024 304 2HB LYS 39 HB1 LYS 39 -7.542 -2.173 -3.724 305 1HG LYS 39 HG2 LYS 39 -7.249 0.035 -4.430 306 2HG LYS 39 HG1 LYS 39 -8.976 0.374 -4.385 307 1HD LYS 39 HD2 LYS 39 -7.558 1.420 -2.543 308 2HD LYS 39 HD1 LYS 39 -8.998 0.546 -2.034 309 1HE LYS 39 HE2 LYS 39 -7.745 -1.303 -1.262 310 2HE LYS 39 HE1 LYS 39 -6.302 -0.799 -2.132 311 1HZ LYS 39 HZ1 LYS 39 -6.933 1.278 -0.423 312 2HZ LYS 39 HZ3 LYS 39 -7.133 -0.146 0.489 313 3HZ LYS 39 HZ2 LYS 39 -5.642 0.173 -0.281 314 H ASP 40 HN ASP 40 -7.049 -3.445 -5.704 315 HA ASP 40 HA ASP 40 -6.669 -2.418 -8.403 316 1HB ASP 40 HB2 ASP 40 -4.586 -1.402 -8.095 317 2HB ASP 40 HB1 ASP 40 -5.512 -0.839 -6.712 318 H ALA 41 HN ALA 41 -4.179 -3.322 -8.959 319 HA ALA 41 HA ALA 41 -4.529 -6.108 -9.325 320 1HB ALA 41 HB1 ALA 41 -2.040 -4.400 -9.568 321 2HB ALA 41 HB3 ALA 41 -2.181 -6.062 -10.144 322 3HB ALA 41 HB2 ALA 41 -3.181 -4.799 -10.855 323 H LYS 42 HN LYS 42 -2.602 -4.273 -6.965 324 HA LYS 42 HA LYS 42 -1.287 -6.520 -5.789 325 1HB LYS 42 HB2 LYS 42 -1.910 -3.794 -4.621 326 2HB LYS 42 HB1 LYS 42 -0.802 -4.974 -3.922 327 1HG LYS 42 HG2 LYS 42 0.574 -4.872 -5.969 328 2HG LYS 42 HG1 LYS 42 -0.520 -3.667 -6.640 329 1HD LYS 42 HD2 LYS 42 0.059 -2.079 -4.940 330 2HD LYS 42 HD1 LYS 42 0.955 -3.286 -4.024 331 1HE LYS 42 HE2 LYS 42 1.775 -2.660 -6.845 332 2HE LYS 42 HE1 LYS 42 2.229 -1.561 -5.547 333 1HZ LYS 42 HZ3 LYS 42 2.755 -4.438 -5.238 334 2HZ LYS 42 HZ2 LYS 42 3.785 -3.499 -6.224 335 3HZ LYS 42 HZ1 LYS 42 3.587 -3.094 -4.578 336 H SER 43 HN SER 43 -4.202 -4.689 -4.889 337 HA SER 43 HA SER 43 -4.906 -6.170 -2.583 338 1HB SER 43 HB2 SER 43 -6.789 -4.765 -4.480 339 2HB SER 43 HB1 SER 43 -7.069 -5.139 -2.781 340 HG SER 43 HG SER 43 -5.132 -3.333 -3.855 341 H ALA 44 HN ALA 44 -5.612 -6.672 -6.003 342 HA ALA 44 HA ALA 44 -7.493 -8.778 -5.652 343 1HB ALA 44 HB1 ALA 44 -7.427 -7.352 -7.664 344 2HB ALA 44 HB3 ALA 44 -5.863 -8.050 -8.093 345 3HB ALA 44 HB2 ALA 44 -7.307 -9.064 -8.063 346 H ALA 45 HN ALA 45 -4.010 -8.652 -6.203 347 HA ALA 45 HA ALA 45 -3.655 -11.453 -6.669 348 1HB ALA 45 HB2 ALA 45 -2.058 -9.653 -7.391 349 2HB ALA 45 HB1 ALA 45 -1.568 -9.483 -5.703 350 3HB ALA 45 HB3 ALA 45 -1.301 -11.007 -6.552 351 H SER 46 HN SER 46 -3.163 -9.381 -3.808 352 HA SER 46 HA SER 46 -2.380 -11.555 -2.096 353 1HB SER 46 HB2 SER 46 -3.315 -8.800 -1.276 354 2HB SER 46 HB1 SER 46 -2.322 -9.919 -0.343 355 HG SER 46 HG SER 46 -0.879 -9.734 -2.371 356 H GLY 47 HN GLY 47 -5.418 -9.895 -2.774 357 1HA GLY 47 HA2 GLY 47 -7.572 -10.788 -2.493 358 2HA GLY 47 HA1 GLY 47 -6.916 -12.011 -1.405 359 H ILE 48 HN ILE 48 -7.095 -8.461 -1.573 360 HA ILE 48 HA ILE 48 -7.555 -8.292 1.327 361 HB ILE 48 HB ILE 48 -7.079 -6.077 -0.668 362 1HG1 ILE 48 HG12 ILE 48 -5.146 -7.648 -0.558 363 2HG1 ILE 48 HG11 ILE 48 -4.760 -6.029 0.009 364 1HG2 ILE 48 HG23 ILE 48 -7.135 -6.138 2.333 365 2HG2 ILE 48 HG22 ILE 48 -6.319 -4.855 1.437 366 3HG2 ILE 48 HG21 ILE 48 -8.054 -5.108 1.235 367 1HD1 ILE 48 HD11 ILE 48 -5.681 -8.015 2.025 368 2HD1 ILE 48 HD13 ILE 48 -4.054 -8.185 1.376 369 3HD1 ILE 48 HD12 ILE 48 -4.530 -6.694 2.187 370 HA PRO 49 HA PRO 49 -11.922 -7.806 0.476 371 1HB PRO 49 HB2 PRO 49 -12.713 -7.097 2.984 372 2HB PRO 49 HB1 PRO 49 -12.346 -8.756 2.494 373 1HG PRO 49 HG2 PRO 49 -10.666 -6.806 4.001 374 2HG PRO 49 HG1 PRO 49 -10.855 -8.551 4.245 375 1HD PRO 49 HD2 PRO 49 -8.714 -7.425 2.981 376 2HD PRO 49 HD1 PRO 49 -9.297 -9.066 2.641 377 H TYR 50 HN TYR 50 -12.177 -6.072 -0.827 378 HA TYR 50 HA TYR 50 -11.644 -3.341 -0.026 379 1HB TYR 50 HB2 TYR 50 -11.224 -3.937 -2.298 380 2HB TYR 50 HB1 TYR 50 -12.824 -4.638 -2.483 381 HD1 TYR 50 HD1 TYR 50 -11.254 -1.362 -1.588 382 HD2 TYR 50 HD2 TYR 50 -14.410 -3.397 -3.623 383 HE1 TYR 50 HE1 TYR 50 -12.085 0.789 -2.455 384 HE2 TYR 50 HE2 TYR 50 -15.237 -1.246 -4.489 385 HH TYR 50 HH TYR 50 -13.421 1.675 -4.243 386 H HIS 51 HN HIS 51 -14.463 -5.430 -0.339 387 HA HIS 51 HA HIS 51 -16.125 -3.460 1.082 388 1HB HIS 51 HB2 HIS 51 -16.430 -4.238 -1.721 389 2HB HIS 51 HB1 HIS 51 -17.864 -4.650 -0.795 390 HD1 HIS 51 HD1 HIS 51 -19.536 -2.867 -0.797 391 HD2 HIS 51 HD2 HIS 51 -15.717 -1.298 -1.139 392 HE1 HIS 51 HE1 HIS 51 -19.861 -0.392 -1.006 393 H SER 52 HN SER 52 -18.288 -4.564 1.681 394 HA SER 52 HA SER 52 -17.669 -7.143 2.933 395 1HB SER 52 HB2 SER 52 -20.252 -5.581 3.115 396 2HB SER 52 HB1 SER 52 -19.628 -6.788 4.239 397 HG SER 52 HG SER 52 -17.826 -4.783 3.923 398 H GLU 53 HN GLU 53 -18.037 -6.871 0.011 399 HA GLU 53 HA GLU 53 -19.660 -9.193 -0.482 400 1HB GLU 53 HB2 GLU 53 -21.292 -7.182 -0.407 401 2HB GLU 53 HB1 GLU 53 -20.516 -6.653 -1.895 402 1HG GLU 53 HG2 GLU 53 -21.043 -9.032 -2.773 403 2HG GLU 53 HG1 GLU 53 -22.137 -9.147 -1.396 404 H VAL 54 HN VAL 54 -17.103 -9.170 -0.814 405 HA VAL 54 HA VAL 54 -16.231 -8.075 -3.352 406 HB VAL 54 HB VAL 54 -14.874 -9.719 -1.231 407 1HG1 VAL 54 HG12 VAL 54 -13.932 -9.116 -4.002 408 2HG1 VAL 54 HG11 VAL 54 -12.771 -9.096 -2.676 409 3HG1 VAL 54 HG13 VAL 54 -13.689 -10.562 -3.023 410 1HG2 VAL 54 HG21 VAL 54 -15.384 -7.090 -1.277 411 2HG2 VAL 54 HG23 VAL 54 -13.948 -7.784 -0.525 412 3HG2 VAL 54 HG22 VAL 54 -13.853 -7.105 -2.150 413 HA PRO 55 HA PRO 55 -16.254 -12.632 -4.766 414 1HB PRO 55 HB2 PRO 55 -17.225 -14.596 -3.167 415 2HB PRO 55 HB1 PRO 55 -15.553 -14.031 -3.109 416 1HG PRO 55 HG2 PRO 55 -17.759 -13.572 -1.211 417 2HG PRO 55 HG1 PRO 55 -16.012 -13.541 -0.939 418 1HD PRO 55 HD2 PRO 55 -17.757 -11.320 -1.266 419 2HD PRO 55 HD1 PRO 55 -15.995 -11.298 -1.119 420 H VAL 56 HN VAL 56 -17.792 -12.367 -6.301 421 HA VAL 56 HA VAL 56 -20.634 -12.850 -5.585 422 HB VAL 56 HB VAL 56 -19.486 -11.082 -7.752 423 1HG1 VAL 56 HG11 VAL 56 -22.290 -11.972 -7.156 424 2HG1 VAL 56 HG13 VAL 56 -21.988 -10.405 -7.899 425 3HG1 VAL 56 HG12 VAL 56 -21.459 -11.879 -8.709 426 1HG2 VAL 56 HG23 VAL 56 -20.663 -10.566 -5.059 427 2HG2 VAL 56 HG22 VAL 56 -19.284 -9.802 -5.846 428 3HG2 VAL 56 HG21 VAL 56 -20.928 -9.392 -6.346 429 H SER 57 HN SER 57 -21.710 -14.363 -6.723 430 HA SER 57 HA SER 57 -20.199 -16.141 -8.447 431 1HB SER 57 HB2 SER 57 -22.930 -16.231 -7.223 432 2HB SER 57 HB1 SER 57 -22.306 -17.482 -8.271 433 HG SER 57 HG SER 57 -21.077 -16.614 -5.842 434 H LEU 58 HN LEU 58 -20.720 -16.640 -10.568 435 HA LEU 58 HA LEU 58 -22.505 -14.744 -12.002 436 1HB LEU 58 HB2 LEU 58 -20.051 -16.258 -12.943 437 2HB LEU 58 HB1 LEU 58 -21.111 -15.335 -14.006 438 HG LEU 58 HG LEU 58 -19.776 -14.110 -11.603 439 1HD1 LEU 58 HD21 LEU 58 -18.711 -14.241 -14.427 440 2HD1 LEU 58 HD23 LEU 58 -18.059 -13.214 -13.146 441 3HD1 LEU 58 HD22 LEU 58 -17.993 -14.972 -12.988 442 1HD2 LEU 58 HD13 LEU 58 -21.571 -13.155 -13.679 443 2HD2 LEU 58 HD12 LEU 58 -21.094 -12.400 -12.158 444 3HD2 LEU 58 HD11 LEU 58 -20.090 -12.199 -13.596 445 H LYS 59 HN LYS 59 -24.090 -16.432 -11.061 446 HA LYS 59 HA LYS 59 -24.243 -18.914 -12.615 447 1HB LYS 59 HB2 LYS 59 -24.719 -18.705 -10.087 448 2HB LYS 59 HB1 LYS 59 -26.242 -17.966 -10.565 449 1HG LYS 59 HG2 LYS 59 -26.173 -20.226 -12.143 450 2HG LYS 59 HG1 LYS 59 -25.394 -20.778 -10.665 451 1HD LYS 59 HD2 LYS 59 -27.803 -21.182 -10.563 452 2HD LYS 59 HD1 LYS 59 -27.318 -20.005 -9.346 453 1HE LYS 59 HE2 LYS 59 -28.496 -18.314 -10.307 454 2HE LYS 59 HE1 LYS 59 -28.127 -18.847 -11.943 455 1HZ LYS 59 HZ1 LYS 59 -29.770 -20.656 -11.614 456 2HZ LYS 59 HZ3 LYS 59 -30.202 -19.944 -10.126 457 3HZ LYS 59 HZ2 LYS 59 -30.441 -19.089 -11.589 458 H GLU 60 HN GLU 60 -24.986 -18.607 -14.628 459 HA GLU 60 HA GLU 60 -26.342 -18.068 -16.380 460 1HB GLU 60 HB2 GLU 60 -28.471 -17.487 -14.301 461 2HB GLU 60 HB1 GLU 60 -28.721 -17.835 -16.006 462 1HG GLU 60 HG2 GLU 60 -27.493 -19.781 -14.036 463 2HG GLU 60 HG1 GLU 60 -29.188 -19.783 -14.523 464 H ALA 61 HN ALA 61 -24.606 -16.102 -15.445 465 HA ALA 61 HA ALA 61 -25.898 -13.548 -15.193 466 1HB ALA 61 HB3 ALA 61 -23.627 -14.113 -14.272 467 2HB ALA 61 HB2 ALA 61 -23.014 -14.115 -15.926 468 3HB ALA 61 HB1 ALA 61 -23.677 -12.634 -15.230 469 H ILE 62 HN ILE 62 -26.892 -12.554 -16.814 470 HA ILE 62 HA ILE 62 -26.158 -13.098 -19.609 471 HB ILE 62 HB ILE 62 -28.419 -11.365 -18.604 472 1HG1 ILE 62 HG12 ILE 62 -28.298 -14.356 -18.977 473 2HG1 ILE 62 HG11 ILE 62 -28.846 -13.456 -17.567 474 1HG2 ILE 62 HG22 ILE 62 -27.958 -12.840 -21.206 475 2HG2 ILE 62 HG21 ILE 62 -29.400 -11.903 -20.806 476 3HG2 ILE 62 HG23 ILE 62 -27.838 -11.099 -20.965 477 1HD1 ILE 62 HD12 ILE 62 -30.646 -12.515 -19.235 478 2HD1 ILE 62 HD11 ILE 62 -30.257 -13.967 -20.157 479 3HD1 ILE 62 HD13 ILE 62 -30.857 -14.110 -18.504 480 H CYS 63 HN CYS 63 -25.361 -11.552 -20.969 481 HA CYS 63 HA CYS 63 -24.705 -8.909 -19.814 482 1HB CYS 63 HB2 CYS 63 -22.838 -10.811 -20.064 483 2HB CYS 63 HB1 CYS 63 -22.782 -10.167 -21.696 484 HG CYS 63 HG CYS 63 -21.905 -8.680 -19.147 485 H GLU 64 HN GLU 64 -24.697 -7.195 -21.182 486 HA GLU 64 HA GLU 64 -25.481 -7.584 -24.003 487 1HB GLU 64 HB2 GLU 64 -26.897 -5.933 -21.914 488 2HB GLU 64 HB1 GLU 64 -26.993 -5.510 -23.622 489 1HG GLU 64 HG2 GLU 64 -27.890 -7.731 -24.132 490 2HG GLU 64 HG1 GLU 64 -27.760 -8.194 -22.437 491 H VAL 65 HN VAL 65 -24.903 -5.816 -25.366 492 HA VAL 65 HA VAL 65 -22.540 -4.352 -24.405 493 HB VAL 65 HB VAL 65 -23.629 -4.378 -27.215 494 1HG1 VAL 65 HG12 VAL 65 -20.845 -4.036 -26.093 495 2HG1 VAL 65 HG11 VAL 65 -21.252 -4.068 -27.808 496 3HG1 VAL 65 HG13 VAL 65 -21.861 -2.769 -26.779 497 1HG2 VAL 65 HG21 VAL 65 -22.068 -6.520 -25.795 498 2HG2 VAL 65 HG23 VAL 65 -23.485 -6.680 -26.833 499 3HG2 VAL 65 HG22 VAL 65 -21.922 -6.281 -27.538 500 H ALA 66 HN ALA 66 -22.405 -2.178 -24.262 501 HA ALA 66 HA ALA 66 -24.657 -0.465 -25.121 502 1HB ALA 66 HB2 ALA 66 -24.707 -1.071 -22.600 503 2HB ALA 66 HB1 ALA 66 -23.255 -0.076 -22.464 504 3HB ALA 66 HB3 ALA 66 -24.768 0.638 -23.027 505 H LEU 67 HN LEU 67 -23.124 -0.186 -26.893 506 HA LEU 67 HA LEU 67 -20.520 0.927 -26.517 507 1HB LEU 67 HB2 LEU 67 -21.959 -0.221 -28.620 508 2HB LEU 67 HB1 LEU 67 -21.661 1.426 -29.149 509 HG LEU 67 HG LEU 67 -19.891 -0.095 -29.875 510 1HD1 LEU 67 HD23 LEU 67 -19.395 2.294 -29.308 511 2HD1 LEU 67 HD22 LEU 67 -18.796 1.740 -27.744 512 3HD1 LEU 67 HD21 LEU 67 -18.002 1.213 -29.227 513 1HD2 LEU 67 HD13 LEU 67 -20.217 -1.490 -27.650 514 2HD2 LEU 67 HD12 LEU 67 -18.688 -1.496 -28.530 515 3HD2 LEU 67 HD11 LEU 67 -18.881 -0.479 -27.102 516 H ASP 68 HN ASP 68 -23.179 2.519 -25.661 517 HA ASP 68 HA ASP 68 -21.961 5.090 -26.020 518 1HB ASP 68 HB2 ASP 68 -23.567 6.176 -27.427 519 2HB ASP 68 HB1 ASP 68 -22.995 4.753 -28.280 520 H TYR 69 HN TYR 69 -22.717 3.694 -23.726 521 HA TYR 69 HA TYR 69 -25.248 4.750 -22.763 522 1HB TYR 69 HB2 TYR 69 -24.379 2.513 -22.074 523 2HB TYR 69 HB1 TYR 69 -23.097 3.325 -21.188 524 HD1 TYR 69 HD1 TYR 69 -26.817 3.263 -21.504 525 HD2 TYR 69 HD2 TYR 69 -23.447 3.893 -18.963 526 HE1 TYR 69 HE1 TYR 69 -28.317 3.431 -19.553 527 HE2 TYR 69 HE2 TYR 69 -24.946 4.068 -17.017 528 HH TYR 69 HH TYR 69 -28.064 4.675 -17.120 529 H LYS 70 HN LYS 70 -23.943 6.900 -23.521 530 HA LYS 70 HA LYS 70 -24.027 8.746 -21.530 531 1HB LYS 70 HB2 LYS 70 -21.576 9.229 -21.061 532 2HB LYS 70 HB1 LYS 70 -22.231 7.827 -20.242 533 1HG LYS 70 HG2 LYS 70 -21.256 6.641 -22.487 534 2HG LYS 70 HG1 LYS 70 -20.152 8.002 -22.354 535 1HD LYS 70 HD2 LYS 70 -20.697 6.387 -19.902 536 2HD LYS 70 HD1 LYS 70 -19.674 5.689 -21.151 537 1HE LYS 70 HE2 LYS 70 -18.230 6.816 -19.611 538 2HE LYS 70 HE1 LYS 70 -18.281 7.788 -21.073 539 1HZ LYS 70 HZ2 LYS 70 -20.131 8.354 -18.850 540 2HZ LYS 70 HZ1 LYS 70 -18.519 8.905 -18.785 541 3HZ LYS 70 HZ3 LYS 70 -19.532 9.410 -20.057 542 H LYS 71 HN LYS 71 -21.290 8.152 -23.654 543 HA LYS 71 HA LYS 71 -22.237 9.794 -25.809 544 1HB LYS 71 HB2 LYS 71 -20.440 10.911 -23.763 545 2HB LYS 71 HB1 LYS 71 -19.821 11.071 -25.400 546 1HG LYS 71 HG2 LYS 71 -22.631 11.894 -24.672 547 2HG LYS 71 HG1 LYS 71 -21.262 12.982 -24.478 548 1HD LYS 71 HD2 LYS 71 -20.734 12.694 -26.896 549 2HD LYS 71 HD1 LYS 71 -22.174 11.692 -27.067 550 1HE LYS 71 HE2 LYS 71 -22.069 14.619 -26.287 551 2HE LYS 71 HE1 LYS 71 -22.699 13.939 -27.787 552 1HZ LYS 71 HZ2 LYS 71 -24.199 12.616 -26.066 553 2HZ LYS 71 HZ1 LYS 71 -23.898 14.011 -25.125 554 3HZ LYS 71 HZ3 LYS 71 -24.634 14.155 -26.653 555 H LYS 72 HN LYS 72 -19.187 8.832 -24.367 556 HA LYS 72 HA LYS 72 -18.559 7.103 -26.695 557 1HB LYS 72 HB2 LYS 72 -16.524 8.706 -25.125 558 2HB LYS 72 HB1 LYS 72 -16.267 7.799 -26.613 559 1HG LYS 72 HG2 LYS 72 -18.262 9.499 -27.380 560 2HG LYS 72 HG1 LYS 72 -17.412 10.497 -26.210 561 1HD LYS 72 HD2 LYS 72 -16.427 10.950 -28.340 562 2HD LYS 72 HD1 LYS 72 -15.273 9.960 -27.450 563 1HE LYS 72 HE2 LYS 72 -15.579 9.280 -29.843 564 2HE LYS 72 HE1 LYS 72 -15.892 7.994 -28.685 565 1HZ LYS 72 HZ2 LYS 72 -18.258 9.489 -29.310 566 2HZ LYS 72 HZ1 LYS 72 -17.552 8.796 -30.699 567 3HZ LYS 72 HZ3 LYS 72 -17.973 7.809 -29.381 568 H LYS 73 HN LYS 73 -16.309 5.934 -25.784 569 HA LYS 73 HA LYS 73 -15.389 4.369 -24.438 570 1HB LYS 73 HB2 LYS 73 -17.332 5.295 -22.305 571 2HB LYS 73 HB1 LYS 73 -16.013 4.160 -22.070 572 1HG LYS 73 HG2 LYS 73 -15.333 6.809 -23.269 573 2HG LYS 73 HG1 LYS 73 -15.740 6.765 -21.557 574 1HD LYS 73 HD2 LYS 73 -13.970 5.266 -21.065 575 2HD LYS 73 HD1 LYS 73 -13.701 4.893 -22.766 576 1HE LYS 73 HE2 LYS 73 -13.343 7.691 -21.678 577 2HE LYS 73 HE1 LYS 73 -12.044 6.505 -21.604 578 1HZ LYS 73 HZ1 LYS 73 -13.262 6.718 -24.206 579 2HZ LYS 73 HZ3 LYS 73 -12.543 8.163 -23.667 580 3HZ LYS 73 HZ2 LYS 73 -11.613 6.737 -23.749 581 H HIS 74 HN HIS 74 -15.681 2.256 -23.979 582 HA HIS 74 HA HIS 74 -18.106 1.042 -25.068 583 1HB HIS 74 HB2 HIS 74 -15.571 -0.349 -24.168 584 2HB HIS 74 HB1 HIS 74 -16.830 -0.987 -25.215 585 HD1 HIS 74 HD1 HIS 74 -13.917 1.373 -25.236 586 HD2 HIS 74 HD2 HIS 74 -16.595 -0.269 -27.927 587 HE1 HIS 74 HE1 HIS 74 -13.043 2.026 -27.489 588 H VAL 75 HN VAL 75 -19.726 0.719 -23.643 589 HA VAL 75 HA VAL 75 -19.073 -0.290 -20.933 590 HB VAL 75 HB VAL 75 -21.433 1.374 -21.865 591 1HG1 VAL 75 HG13 VAL 75 -20.922 0.024 -19.228 592 2HG1 VAL 75 HG12 VAL 75 -21.982 1.427 -19.382 593 3HG1 VAL 75 HG11 VAL 75 -22.360 -0.065 -20.245 594 1HG2 VAL 75 HG23 VAL 75 -19.113 2.430 -21.389 595 2HG2 VAL 75 HG22 VAL 75 -20.550 3.156 -20.673 596 3HG2 VAL 75 HG21 VAL 75 -19.507 2.118 -19.700 597 H PHE 76 HN PHE 76 -20.475 -1.935 -20.085 598 HA PHE 76 HA PHE 76 -22.329 -3.215 -21.952 599 1HB PHE 76 HB2 PHE 76 -21.403 -5.451 -21.566 600 2HB PHE 76 HB1 PHE 76 -20.276 -4.403 -22.409 601 HD1 PHE 76 HD1 PHE 76 -18.232 -3.624 -21.324 602 HD2 PHE 76 HD2 PHE 76 -20.937 -6.257 -19.336 603 HE1 PHE 76 HE1 PHE 76 -16.511 -4.093 -19.623 604 HE2 PHE 76 HE2 PHE 76 -19.210 -6.739 -17.636 605 HZ PHE 76 HZ PHE 76 -16.955 -5.815 -17.883 606 H LYS 77 HN LYS 77 -24.001 -4.190 -20.998 607 HA LYS 77 HA LYS 77 -24.390 -3.656 -18.145 608 1HB LYS 77 HB2 LYS 77 -26.047 -2.867 -19.809 609 2HB LYS 77 HB1 LYS 77 -26.359 -4.542 -20.261 610 1HG LYS 77 HG2 LYS 77 -27.381 -5.054 -18.219 611 2HG LYS 77 HG1 LYS 77 -26.632 -3.693 -17.394 612 1HD LYS 77 HD2 LYS 77 -29.074 -3.391 -17.824 613 2HD LYS 77 HD1 LYS 77 -28.064 -2.119 -18.501 614 1HE LYS 77 HE2 LYS 77 -29.805 -2.785 -20.087 615 2HE LYS 77 HE1 LYS 77 -28.213 -3.178 -20.719 616 1HZ LYS 77 HZ2 LYS 77 -28.664 -5.476 -19.680 617 2HZ LYS 77 HZ1 LYS 77 -30.297 -4.981 -19.693 618 3HZ LYS 77 HZ3 LYS 77 -29.429 -5.067 -21.151 619 H LEU 78 HN LEU 78 -24.095 -5.189 -16.716 620 HA LEU 78 HA LEU 78 -24.227 -8.045 -17.481 621 1HB LEU 78 HB2 LEU 78 -22.263 -6.626 -16.125 622 2HB LEU 78 HB1 LEU 78 -23.154 -7.380 -14.818 623 HG LEU 78 HG LEU 78 -21.557 -8.619 -17.004 624 1HD1 LEU 78 HD23 LEU 78 -20.701 -8.213 -14.679 625 2HD1 LEU 78 HD22 LEU 78 -21.892 -9.379 -14.101 626 3HD1 LEU 78 HD21 LEU 78 -20.617 -9.893 -15.206 627 1HD2 LEU 78 HD13 LEU 78 -24.076 -9.745 -15.911 628 2HD2 LEU 78 HD12 LEU 78 -23.296 -10.014 -17.472 629 3HD2 LEU 78 HD11 LEU 78 -22.700 -10.833 -16.029 630 H ARG 79 HN ARG 79 -26.252 -8.802 -17.100 631 HA ARG 79 HA ARG 79 -27.732 -7.850 -14.727 632 1HB ARG 79 HB2 ARG 79 -28.760 -7.670 -17.033 633 2HB ARG 79 HB1 ARG 79 -28.837 -9.428 -17.051 634 1HG ARG 79 HG2 ARG 79 -29.932 -8.592 -14.568 635 2HG ARG 79 HG1 ARG 79 -30.613 -7.531 -15.792 636 1HD ARG 79 HD2 ARG 79 -30.620 -10.339 -16.620 637 2HD ARG 79 HD1 ARG 79 -31.522 -10.063 -15.132 638 HE ARG 79 HE ARG 79 -32.934 -8.505 -16.310 639 1HH1 ARG 79 HH21 ARG 79 -31.834 -7.295 -18.553 640 2HH1 ARG 79 HH22 ARG 79 -32.241 -8.303 -19.926 641 1HH2 ARG 79 HH11 ARG 79 -32.815 -11.178 -17.976 642 2HH2 ARG 79 HH12 ARG 79 -32.789 -10.524 -19.590 643 H LEU 80 HN LEU 80 -27.654 -9.085 -13.001 644 HA LEU 80 HA LEU 80 -27.137 -11.982 -13.241 645 1HB LEU 80 HB2 LEU 80 -27.176 -10.223 -10.767 646 2HB LEU 80 HB1 LEU 80 -26.664 -11.907 -10.856 647 HG LEU 80 HG LEU 80 -25.324 -9.565 -12.230 648 1HD1 LEU 80 HD12 LEU 80 -24.678 -11.145 -9.755 649 2HD1 LEU 80 HD11 LEU 80 -23.435 -10.258 -10.643 650 3HD1 LEU 80 HD13 LEU 80 -24.806 -9.397 -9.948 651 1HD2 LEU 80 HD22 LEU 80 -24.943 -12.515 -12.422 652 2HD2 LEU 80 HD21 LEU 80 -24.745 -11.263 -13.650 653 3HD2 LEU 80 HD23 LEU 80 -23.505 -11.493 -12.417 654 H SER 81 HN SER 81 -28.790 -13.346 -13.059 655 HA SER 81 HA SER 81 -31.481 -12.543 -12.605 656 1HB SER 81 HB2 SER 81 -31.548 -15.257 -12.303 657 2HB SER 81 HB1 SER 81 -31.570 -14.422 -13.851 658 HG SER 81 HG SER 81 -29.729 -15.322 -14.292 659 H ASP 82 HN ASP 82 -28.902 -13.472 -10.549 660 HA ASP 82 HA ASP 82 -30.205 -14.527 -8.292 661 1HB ASP 82 HB2 ASP 82 -27.726 -14.465 -8.753 662 2HB ASP 82 HB1 ASP 82 -27.744 -12.763 -8.308 663 H GLY 83 HN GLY 83 -29.430 -11.159 -9.163 664 1HA GLY 83 HA2 GLY 83 -31.561 -9.768 -8.475 665 2HA GLY 83 HA1 GLY 83 -30.943 -10.132 -6.867 666 H ASN 84 HN ASN 84 -29.586 -8.976 -10.022 667 HA ASN 84 HA ASN 84 -28.813 -6.454 -8.971 668 1HB ASN 84 HB2 ASN 84 -27.060 -8.518 -8.214 669 2HB ASN 84 HB1 ASN 84 -26.248 -7.709 -9.547 670 1HD2 ASN 84 HD22 ASN 84 -26.176 -6.023 -5.959 671 2HD2 ASN 84 HD21 ASN 84 -26.600 -7.673 -6.277 672 H GLU 85 HN GLU 85 -27.990 -5.077 -10.505 673 HA GLU 85 HA GLU 85 -27.470 -6.090 -13.231 674 1HB GLU 85 HB2 GLU 85 -29.499 -4.035 -12.379 675 2HB GLU 85 HB1 GLU 85 -28.775 -3.968 -13.985 676 1HG GLU 85 HG2 GLU 85 -29.499 -6.403 -14.240 677 2HG GLU 85 HG1 GLU 85 -30.459 -6.168 -12.783 678 H TYR 86 HN TYR 86 -25.399 -5.525 -13.523 679 HA TYR 86 HA TYR 86 -24.418 -2.924 -12.477 680 1HB TYR 86 HB2 TYR 86 -22.897 -5.418 -13.246 681 2HB TYR 86 HB1 TYR 86 -22.163 -3.921 -12.700 682 HD1 TYR 86 HD1 TYR 86 -23.126 -3.038 -10.383 683 HD2 TYR 86 HD2 TYR 86 -23.151 -7.103 -11.690 684 HE1 TYR 86 HE1 TYR 86 -23.348 -3.784 -8.050 685 HE2 TYR 86 HE2 TYR 86 -23.368 -7.845 -9.354 686 HH TYR 86 HH TYR 86 -23.228 -5.573 -6.664 687 H LEU 87 HN LEU 87 -23.154 -1.608 -13.710 688 HA LEU 87 HA LEU 87 -23.108 -2.040 -16.647 689 1HB LEU 87 HB2 LEU 87 -23.107 0.576 -15.101 690 2HB LEU 87 HB1 LEU 87 -22.991 0.421 -16.849 691 HG LEU 87 HG LEU 87 -25.338 -0.193 -15.078 692 1HD1 LEU 87 HD13 LEU 87 -24.945 1.606 -17.459 693 2HD1 LEU 87 HD12 LEU 87 -26.477 1.371 -16.616 694 3HD1 LEU 87 HD11 LEU 87 -25.102 2.112 -15.781 695 1HD2 LEU 87 HD22 LEU 87 -24.770 -1.167 -17.856 696 2HD2 LEU 87 HD21 LEU 87 -25.471 -2.032 -16.488 697 3HD2 LEU 87 HD23 LEU 87 -26.426 -0.828 -17.353 698 H PHE 88 HN PHE 88 -21.088 -2.357 -17.400 699 HA PHE 88 HA PHE 88 -18.804 -1.496 -15.719 700 1HB PHE 88 HB2 PHE 88 -19.265 -3.946 -17.374 701 2HB PHE 88 HB1 PHE 88 -17.636 -3.429 -16.954 702 HD1 PHE 88 HD1 PHE 88 -17.029 -3.175 -14.511 703 HD2 PHE 88 HD2 PHE 88 -20.596 -5.102 -15.841 704 HE1 PHE 88 HE1 PHE 88 -17.245 -4.289 -12.325 705 HE2 PHE 88 HE2 PHE 88 -20.820 -6.212 -13.666 706 HZ PHE 88 HZ PHE 88 -19.125 -5.757 -11.868 707 H GLN 89 HN GLN 89 -17.369 -0.164 -16.597 708 HA GLN 89 HA GLN 89 -17.528 0.471 -19.482 709 1HB GLN 89 HB2 GLN 89 -17.689 2.256 -17.575 710 2HB GLN 89 HB1 GLN 89 -15.945 2.041 -17.472 711 1HG GLN 89 HG2 GLN 89 -15.878 2.509 -19.982 712 2HG GLN 89 HG1 GLN 89 -17.549 3.045 -19.822 713 1HE2 GLN 89 HE22 GLN 89 -14.504 5.292 -18.291 714 2HE2 GLN 89 HE21 GLN 89 -14.248 3.655 -18.815 715 H ALA 90 HN ALA 90 -16.024 -0.364 -20.760 716 HA ALA 90 HA ALA 90 -13.465 -1.351 -19.649 717 1HB ALA 90 HB2 ALA 90 -15.012 -1.972 -22.168 718 2HB ALA 90 HB1 ALA 90 -13.320 -2.442 -21.976 719 3HB ALA 90 HB3 ALA 90 -14.543 -3.073 -20.868 720 H LYS 91 HN LYS 91 -11.529 -0.984 -20.990 721 HA LYS 91 HA LYS 91 -11.281 1.797 -21.687 722 1HB LYS 91 HB2 LYS 91 -8.918 1.227 -22.137 723 2HB LYS 91 HB1 LYS 91 -9.465 0.680 -20.556 724 1HG LYS 91 HG2 LYS 91 -9.980 -1.554 -21.958 725 2HG LYS 91 HG1 LYS 91 -8.673 -0.907 -22.942 726 1HD LYS 91 HD2 LYS 91 -7.603 -0.585 -20.479 727 2HD LYS 91 HD1 LYS 91 -8.628 -1.990 -20.188 728 1HE LYS 91 HE2 LYS 91 -7.538 -2.919 -22.368 729 2HE LYS 91 HE1 LYS 91 -6.308 -1.693 -22.075 730 1HZ LYS 91 HZ3 LYS 91 -6.471 -2.815 -19.669 731 2HZ LYS 91 HZ2 LYS 91 -6.854 -4.162 -20.649 732 3HZ LYS 91 HZ1 LYS 91 -5.384 -3.323 -20.877 733 H ASP 92 HN ASP 92 -11.018 -1.239 -23.574 734 HA ASP 92 HA ASP 92 -11.637 0.287 -26.013 735 1HB ASP 92 HB2 ASP 92 -10.015 -1.087 -27.267 736 2HB ASP 92 HB1 ASP 92 -9.254 -0.096 -26.031 737 H ASP 93 HN ASP 93 -12.033 -1.347 -27.862 738 HA ASP 93 HA ASP 93 -14.395 -2.807 -27.208 739 1HB ASP 93 HB2 ASP 93 -14.449 -3.386 -29.614 740 2HB ASP 93 HB1 ASP 93 -14.240 -1.664 -29.333 741 H GLU 94 HN GLU 94 -11.057 -3.776 -27.752 742 HA GLU 94 HA GLU 94 -11.525 -6.561 -28.134 743 1HB GLU 94 HB2 GLU 94 -9.066 -5.213 -27.016 744 2HB GLU 94 HB1 GLU 94 -9.155 -6.847 -27.669 745 1HG GLU 94 HG2 GLU 94 -9.876 -5.847 -29.860 746 2HG GLU 94 HG1 GLU 94 -9.561 -4.252 -29.176 747 H GLU 95 HN GLU 95 -10.565 -4.700 -25.244 748 HA GLU 95 HA GLU 95 -10.628 -6.891 -23.429 749 1HB GLU 95 HB2 GLU 95 -9.537 -4.602 -23.103 750 2HB GLU 95 HB1 GLU 95 -11.143 -4.006 -22.698 751 1HG GLU 95 HG2 GLU 95 -10.464 -4.552 -20.588 752 2HG GLU 95 HG1 GLU 95 -11.097 -6.122 -21.067 753 H MET 96 HN MET 96 -13.068 -4.479 -24.369 754 HA MET 96 HA MET 96 -15.128 -5.104 -22.572 755 1HB MET 96 HB2 MET 96 -15.056 -3.159 -24.159 756 2HB MET 96 HB1 MET 96 -15.465 -4.266 -25.461 757 1HG MET 96 HG2 MET 96 -17.442 -4.856 -23.697 758 2HG MET 96 HG1 MET 96 -17.159 -3.167 -23.300 759 1HE MET 96 HE2 MET 96 -17.986 -5.770 -25.909 760 2HE MET 96 HE1 MET 96 -18.738 -4.891 -27.240 761 3HE MET 96 HE3 MET 96 -16.980 -4.893 -27.058 762 H ASN 97 HN ASN 97 -14.358 -6.527 -25.739 763 HA ASN 97 HA ASN 97 -16.546 -8.316 -25.933 764 1HB ASN 97 HB2 ASN 97 -14.425 -7.562 -27.535 765 2HB ASN 97 HB1 ASN 97 -14.002 -9.206 -27.134 766 1HD2 ASN 97 HD22 ASN 97 -15.998 -9.399 -30.200 767 2HD2 ASN 97 HD21 ASN 97 -14.468 -8.748 -29.697 768 H THR 98 HN THR 98 -13.187 -8.796 -24.963 769 HA THR 98 HA THR 98 -13.291 -11.489 -24.220 770 HB THR 98 HB THR 98 -11.539 -9.438 -22.867 771 HG1 THR 98 HG1 THR 98 -11.261 -8.979 -24.998 772 1HG2 THR 98 HG22 THR 98 -11.191 -12.352 -23.598 773 2HG2 THR 98 HG21 THR 98 -9.895 -11.321 -22.997 774 3HG2 THR 98 HG23 THR 98 -11.288 -11.665 -21.976 775 H TRP 99 HN TRP 99 -13.975 -8.591 -22.254 776 HA TRP 99 HA TRP 99 -14.284 -9.884 -19.751 777 1HB TRP 99 HB2 TRP 99 -15.176 -7.268 -20.910 778 2HB TRP 99 HB1 TRP 99 -15.920 -7.801 -19.411 779 HD1 TRP 99 HD1 TRP 99 -13.178 -5.675 -20.476 780 HE1 TRP 99 HE1 TRP 99 -11.430 -5.415 -18.624 781 HE3 TRP 99 HE3 TRP 99 -14.563 -9.529 -17.397 782 HZ2 TRP 99 HZ2 TRP 99 -10.701 -6.643 -16.210 783 HZ3 TRP 99 HZ3 TRP 99 -13.289 -9.927 -15.332 784 HH2 TRP 99 HH2 TRP 99 -11.377 -8.500 -14.745 785 H ILE 100 HN ILE 100 -16.705 -8.984 -22.215 786 HA ILE 100 HA ILE 100 -18.993 -10.008 -20.924 787 HB ILE 100 HB ILE 100 -18.359 -9.594 -23.851 788 1HG1 ILE 100 HG12 ILE 100 -20.155 -7.974 -22.044 789 2HG1 ILE 100 HG11 ILE 100 -18.447 -7.614 -22.254 790 1HG2 ILE 100 HG21 ILE 100 -20.828 -10.635 -22.529 791 2HG2 ILE 100 HG23 ILE 100 -21.009 -9.517 -23.882 792 3HG2 ILE 100 HG22 ILE 100 -20.133 -11.033 -24.100 793 1HD1 ILE 100 HD12 ILE 100 -18.981 -7.604 -24.793 794 2HD1 ILE 100 HD11 ILE 100 -20.669 -7.472 -24.281 795 3HD1 ILE 100 HD13 ILE 100 -19.506 -6.226 -23.827 796 H GLN 101 HN GLN 101 -16.755 -11.521 -23.234 797 HA GLN 101 HA GLN 101 -18.104 -14.015 -23.462 798 1HB GLN 101 HB2 GLN 101 -15.365 -13.003 -24.103 799 2HB GLN 101 HB1 GLN 101 -15.638 -14.744 -24.097 800 1HG GLN 101 HG2 GLN 101 -16.942 -14.701 -25.956 801 2HG GLN 101 HG1 GLN 101 -17.690 -13.167 -25.523 802 1HE2 GLN 101 HE22 GLN 101 -13.945 -12.690 -27.108 803 2HE2 GLN 101 HE21 GLN 101 -14.215 -13.716 -25.728 804 H ALA 102 HN ALA 102 -15.483 -12.900 -21.330 805 HA ALA 102 HA ALA 102 -14.936 -15.372 -20.057 806 1HB ALA 102 HB2 ALA 102 -13.536 -13.258 -19.971 807 2HB ALA 102 HB1 ALA 102 -14.676 -12.644 -18.776 808 3HB ALA 102 HB3 ALA 102 -13.738 -14.102 -18.436 809 H ILE 103 HN ILE 103 -17.239 -12.785 -19.285 810 HA ILE 103 HA ILE 103 -18.163 -13.934 -16.827 811 HB ILE 103 HB ILE 103 -19.270 -11.845 -18.713 812 1HG1 ILE 103 HG12 ILE 103 -18.410 -11.328 -15.891 813 2HG1 ILE 103 HG11 ILE 103 -17.179 -11.553 -17.129 814 1HG2 ILE 103 HG21 ILE 103 -20.490 -12.898 -16.172 815 2HG2 ILE 103 HG23 ILE 103 -20.796 -11.263 -16.749 816 3HG2 ILE 103 HG22 ILE 103 -21.248 -12.641 -17.747 817 1HD1 ILE 103 HD13 ILE 103 -18.842 -9.791 -18.380 818 2HD1 ILE 103 HD12 ILE 103 -19.005 -9.292 -16.696 819 3HD1 ILE 103 HD11 ILE 103 -17.414 -9.333 -17.451 820 H SER 104 HN SER 104 -19.040 -14.304 -20.193 821 HA SER 104 HA SER 104 -21.541 -15.635 -19.752 822 1HB SER 104 HB2 SER 104 -19.765 -15.591 -22.203 823 2HB SER 104 HB1 SER 104 -21.433 -16.151 -22.149 824 HG SER 104 HG SER 104 -20.443 -13.514 -21.763 825 H SER 105 HN SER 105 -18.201 -16.752 -20.334 826 HA SER 105 HA SER 105 -18.805 -19.326 -19.139 827 1HB SER 105 HB2 SER 105 -18.031 -19.176 -22.066 828 2HB SER 105 HB1 SER 105 -18.114 -20.655 -21.108 829 HG SER 105 HG SER 105 -20.415 -19.265 -20.852 830 H ALA 106 HN ALA 106 -17.096 -17.831 -17.912 831 HA ALA 106 HA ALA 106 -14.419 -17.709 -18.855 832 1HB ALA 106 HB3 ALA 106 -15.782 -17.356 -16.239 833 2HB ALA 106 HB2 ALA 106 -14.064 -17.758 -16.167 834 3HB ALA 106 HB1 ALA 106 -14.596 -16.328 -17.044 No H/Q in entry = 834 Start of MODEL 28 1 1H MET 1 HT3 MET 1 -9.040 -10.594 -17.771 2 2H MET 1 HT2 MET 1 -8.084 -11.838 -18.456 3 3H MET 1 HT1 MET 1 -9.784 -11.897 -18.579 4 HA MET 1 HA MET 1 -9.989 -12.923 -16.662 5 1HB MET 1 HB2 MET 1 -7.855 -13.968 -17.492 6 2HB MET 1 HB1 MET 1 -6.969 -12.849 -16.462 7 1HG MET 1 HG2 MET 1 -8.601 -13.829 -14.598 8 2HG MET 1 HG1 MET 1 -8.677 -15.183 -15.711 9 1HE MET 1 HE3 MET 1 -7.867 -15.797 -12.967 10 2HE MET 1 HE2 MET 1 -6.152 -15.859 -12.561 11 3HE MET 1 HE1 MET 1 -7.013 -14.320 -12.501 12 H GLU 2 HN GLU 2 -7.397 -10.487 -16.238 13 HA GLU 2 HA GLU 2 -8.796 -9.474 -13.832 14 1HB GLU 2 HB2 GLU 2 -5.792 -9.781 -13.990 15 2HB GLU 2 HB1 GLU 2 -6.757 -9.318 -12.592 16 1HG GLU 2 HG2 GLU 2 -7.775 -11.588 -12.579 17 2HG GLU 2 HG1 GLU 2 -6.731 -12.037 -13.928 18 H GLY 3 HN GLY 3 -8.692 -7.258 -13.592 19 1HA GLY 3 HA2 GLY 3 -6.878 -5.466 -14.630 20 2HA GLY 3 HA1 GLY 3 -8.059 -5.703 -15.919 21 H PHE 4 HN PHE 4 -7.942 -3.241 -15.088 22 HA PHE 4 HA PHE 4 -9.794 -2.699 -12.890 23 1HB PHE 4 HB2 PHE 4 -8.044 -1.045 -14.656 24 2HB PHE 4 HB1 PHE 4 -9.425 -0.278 -13.901 25 HD1 PHE 4 HD1 PHE 4 -9.666 -0.615 -11.307 26 HD2 PHE 4 HD2 PHE 4 -6.040 -1.172 -13.502 27 HE1 PHE 4 HE1 PHE 4 -8.367 -0.351 -9.227 28 HE2 PHE 4 HE2 PHE 4 -4.748 -0.901 -11.426 29 HZ PHE 4 HZ PHE 4 -5.975 -0.404 -9.259 30 H LEU 5 HN LEU 5 -11.815 -1.866 -13.127 31 HA LEU 5 HA LEU 5 -12.949 -1.446 -15.800 32 1HB LEU 5 HB2 LEU 5 -13.577 -3.711 -13.981 33 2HB LEU 5 HB1 LEU 5 -14.960 -2.886 -14.687 34 HG LEU 5 HG LEU 5 -12.666 -4.108 -16.222 35 1HD1 LEU 5 HD11 LEU 5 -15.383 -5.067 -15.463 36 2HD1 LEU 5 HD13 LEU 5 -14.731 -5.526 -17.034 37 3HD1 LEU 5 HD12 LEU 5 -13.861 -5.950 -15.560 38 1HD2 LEU 5 HD21 LEU 5 -15.003 -2.444 -17.040 39 2HD2 LEU 5 HD23 LEU 5 -13.354 -2.463 -17.671 40 3HD2 LEU 5 HD22 LEU 5 -14.478 -3.751 -18.104 41 H ASN 6 HN ASN 6 -14.672 -0.059 -15.817 42 HA ASN 6 HA ASN 6 -15.196 1.429 -13.348 43 1HB ASN 6 HB2 ASN 6 -15.341 1.973 -16.219 44 2HB ASN 6 HB1 ASN 6 -16.800 2.454 -15.378 45 1HD2 ASN 6 HD22 ASN 6 -13.255 4.309 -14.451 46 2HD2 ASN 6 HD21 ASN 6 -13.269 2.706 -15.109 47 H ARG 7 HN ARG 7 -16.761 0.688 -12.060 48 HA ARG 7 HA ARG 7 -18.957 -0.935 -13.224 49 1HB ARG 7 HB2 ARG 7 -17.329 -2.043 -11.641 50 2HB ARG 7 HB1 ARG 7 -17.948 -0.987 -10.376 51 1HG ARG 7 HG2 ARG 7 -20.190 -2.186 -11.677 52 2HG ARG 7 HG1 ARG 7 -19.028 -3.458 -11.338 53 1HD ARG 7 HD2 ARG 7 -20.276 -3.421 -9.378 54 2HD ARG 7 HD1 ARG 7 -18.907 -2.390 -8.962 55 HE ARG 7 HE ARG 7 -21.402 -1.167 -9.974 56 1HH1 ARG 7 HH21 ARG 7 -20.090 1.054 -9.114 57 2HH1 ARG 7 HH22 ARG 7 -20.257 1.148 -7.383 58 1HH2 ARG 7 HH11 ARG 7 -21.148 -2.216 -6.982 59 2HH2 ARG 7 HH12 ARG 7 -20.838 -0.696 -6.175 60 H LYS 8 HN LYS 8 -20.926 -0.163 -13.111 61 HA LYS 8 HA LYS 8 -21.648 1.877 -11.077 62 1HB LYS 8 HB2 LYS 8 -21.420 2.659 -13.520 63 2HB LYS 8 HB1 LYS 8 -22.867 1.722 -13.830 64 1HG LYS 8 HG2 LYS 8 -23.649 3.127 -11.643 65 2HG LYS 8 HG1 LYS 8 -22.527 4.274 -12.370 66 1HD LYS 8 HD2 LYS 8 -23.921 4.716 -14.108 67 2HD LYS 8 HD1 LYS 8 -24.384 3.028 -14.290 68 1HE LYS 8 HE2 LYS 8 -25.990 3.188 -12.526 69 2HE LYS 8 HE1 LYS 8 -25.408 4.784 -12.061 70 1HZ LYS 8 HZ1 LYS 8 -26.207 4.686 -14.805 71 2HZ LYS 8 HZ3 LYS 8 -27.467 4.237 -13.754 72 3HZ LYS 8 HZ2 LYS 8 -26.694 5.747 -13.557 73 H HIS 9 HN HIS 9 -23.192 1.133 -9.760 74 HA HIS 9 HA HIS 9 -24.729 -1.248 -10.464 75 1HB HIS 9 HB2 HIS 9 -25.638 -0.953 -8.096 76 2HB HIS 9 HB1 HIS 9 -23.946 -1.369 -8.261 77 HD1 HIS 9 HD1 HIS 9 -24.188 -0.366 -5.685 78 HD2 HIS 9 HD2 HIS 9 -24.123 2.366 -8.803 79 HE1 HIS 9 HE1 HIS 9 -23.540 1.811 -4.635 80 H GLU 10 HN GLU 10 -26.166 -0.652 -11.995 81 HA GLU 10 HA GLU 10 -27.791 1.712 -11.856 82 1HB GLU 10 HB2 GLU 10 -27.141 0.801 -14.005 83 2HB GLU 10 HB1 GLU 10 -27.894 -0.741 -13.627 84 1HG GLU 10 HG2 GLU 10 -29.427 0.315 -15.055 85 2HG GLU 10 HG1 GLU 10 -30.105 0.569 -13.454 86 H TRP 11 HN TRP 11 -28.449 -1.761 -11.458 87 HA TRP 11 HA TRP 11 -30.903 -1.094 -9.932 88 1HB TRP 11 HB2 TRP 11 -31.331 -1.979 -12.258 89 2HB TRP 11 HB1 TRP 11 -30.544 -3.471 -11.772 90 HD1 TRP 11 HD1 TRP 11 -33.818 -1.513 -11.303 91 HE1 TRP 11 HE1 TRP 11 -35.528 -3.058 -10.191 92 HE3 TRP 11 HE3 TRP 11 -30.800 -5.497 -10.176 93 HZ2 TRP 11 HZ2 TRP 11 -35.614 -5.598 -8.996 94 HZ3 TRP 11 HZ3 TRP 11 -31.769 -7.458 -9.046 95 HH2 TRP 11 HH2 TRP 11 -34.156 -7.510 -8.461 96 H GLU 12 HN GLU 12 -31.273 -2.282 -8.111 97 HA GLU 12 HA GLU 12 -29.586 -4.575 -7.445 98 1HB GLU 12 HB2 GLU 12 -28.966 -3.614 -5.231 99 2HB GLU 12 HB1 GLU 12 -28.207 -2.796 -6.595 100 1HG GLU 12 HG2 GLU 12 -29.801 -0.977 -6.449 101 2HG GLU 12 HG1 GLU 12 -30.689 -1.804 -5.174 102 H ALA 13 HN ALA 13 -32.266 -2.450 -6.630 103 HA ALA 13 HA ALA 13 -33.645 -4.711 -5.321 104 1HB ALA 13 HB3 ALA 13 -32.819 -3.086 -3.621 105 2HB ALA 13 HB2 ALA 13 -33.755 -1.820 -4.416 106 3HB ALA 13 HB1 ALA 13 -34.579 -3.189 -3.668 107 H HIS 14 HN HIS 14 -36.012 -4.440 -5.313 108 HA HIS 14 HA HIS 14 -36.980 -3.670 -7.921 109 1HB HIS 14 HB2 HIS 14 -38.345 -4.737 -5.438 110 2HB HIS 14 HB1 HIS 14 -39.220 -4.349 -6.914 111 HD1 HIS 14 HD1 HIS 14 -37.523 -7.073 -5.307 112 HD2 HIS 14 HD2 HIS 14 -38.168 -5.939 -9.231 113 HE1 HIS 14 HE1 HIS 14 -37.116 -9.143 -6.654 114 H ASN 15 HN ASN 15 -36.203 -1.392 -7.555 115 HA ASN 15 HA ASN 15 -38.462 0.299 -6.729 116 1HB ASN 15 HB2 ASN 15 -36.845 0.094 -4.791 117 2HB ASN 15 HB1 ASN 15 -35.618 0.844 -5.806 118 1HD2 ASN 15 HD22 ASN 15 -36.680 3.874 -4.366 119 2HD2 ASN 15 HD21 ASN 15 -35.436 2.663 -4.475 120 H LYS 16 HN LYS 16 -37.538 -0.503 -9.277 121 HA LYS 16 HA LYS 16 -37.182 0.314 -11.363 122 1HB LYS 16 HB2 LYS 16 -37.741 2.836 -9.866 123 2HB LYS 16 HB1 LYS 16 -37.020 2.980 -11.464 124 1HG LYS 16 HG2 LYS 16 -38.827 1.670 -12.438 125 2HG LYS 16 HG1 LYS 16 -39.526 1.409 -10.844 126 1HD LYS 16 HD2 LYS 16 -39.090 4.243 -11.511 127 2HD LYS 16 HD1 LYS 16 -40.230 3.426 -12.575 128 1HE LYS 16 HE2 LYS 16 -41.810 3.724 -11.005 129 2HE LYS 16 HE1 LYS 16 -40.938 2.592 -9.980 130 1HZ LYS 16 HZ2 LYS 16 -40.455 5.519 -10.055 131 2HZ LYS 16 HZ1 LYS 16 -41.384 4.705 -8.882 132 3HZ LYS 16 HZ3 LYS 16 -39.713 4.390 -9.009 133 H LYS 17 HN LYS 17 -35.226 2.263 -9.105 134 HA LYS 17 HA LYS 17 -32.781 1.489 -10.596 135 1HB LYS 17 HB2 LYS 17 -33.560 4.266 -9.660 136 2HB LYS 17 HB1 LYS 17 -31.931 3.826 -10.160 137 1HG LYS 17 HG2 LYS 17 -34.344 3.478 -11.942 138 2HG LYS 17 HG1 LYS 17 -33.385 4.950 -11.913 139 1HD LYS 17 HD2 LYS 17 -31.893 4.054 -13.306 140 2HD LYS 17 HD1 LYS 17 -31.598 2.727 -12.184 141 1HE LYS 17 HE2 LYS 17 -32.776 1.278 -13.450 142 2HE LYS 17 HE1 LYS 17 -34.117 2.403 -13.626 143 1HZ LYS 17 HZ2 LYS 17 -31.608 2.669 -15.171 144 2HZ LYS 17 HZ1 LYS 17 -32.950 1.760 -15.718 145 3HZ LYS 17 HZ3 LYS 17 -33.111 3.436 -15.443 146 H ALA 18 HN ALA 18 -30.825 1.880 -9.308 147 HA ALA 18 HA ALA 18 -31.015 0.669 -6.744 148 1HB ALA 18 HB3 ALA 18 -28.694 2.037 -8.118 149 2HB ALA 18 HB2 ALA 18 -28.565 1.011 -6.688 150 3HB ALA 18 HB1 ALA 18 -29.104 0.328 -8.223 151 H SER 19 HN SER 19 -29.644 1.674 -4.882 152 HA SER 19 HA SER 19 -30.980 4.098 -4.021 153 1HB SER 19 HB2 SER 19 -28.699 2.842 -2.519 154 2HB SER 19 HB1 SER 19 -30.153 3.625 -1.898 155 HG SER 19 HG SER 19 -29.955 1.054 -3.135 156 H SER 20 HN SER 20 -27.707 3.121 -4.930 157 HA SER 20 HA SER 20 -26.897 5.960 -5.050 158 1HB SER 20 HB2 SER 20 -24.554 4.438 -4.967 159 2HB SER 20 HB1 SER 20 -25.214 5.431 -3.679 160 HG SER 20 HG SER 20 -26.047 2.737 -4.078 161 H ARG 21 HN ARG 21 -25.016 6.236 -6.632 162 HA ARG 21 HA ARG 21 -25.074 4.460 -8.952 163 1HB ARG 21 HB2 ARG 21 -25.555 6.498 -10.451 164 2HB ARG 21 HB1 ARG 21 -26.920 5.774 -9.614 165 1HG ARG 21 HG2 ARG 21 -26.712 7.524 -7.844 166 2HG ARG 21 HG1 ARG 21 -25.439 8.282 -8.791 167 1HD ARG 21 HD2 ARG 21 -27.715 7.833 -10.487 168 2HD ARG 21 HD1 ARG 21 -28.257 8.639 -9.017 169 HE ARG 21 HE ARG 21 -26.110 9.677 -10.802 170 1HH1 ARG 21 HH21 ARG 21 -25.953 11.171 -8.337 171 2HH1 ARG 21 HH22 ARG 21 -27.133 12.446 -8.507 172 1HH2 ARG 21 HH11 ARG 21 -28.907 10.828 -11.069 173 2HH2 ARG 21 HH12 ARG 21 -28.802 12.269 -10.099 174 H SER 22 HN SER 22 -22.954 4.504 -7.581 175 HA SER 22 HA SER 22 -21.164 6.702 -8.338 176 1HB SER 22 HB2 SER 22 -20.412 4.344 -6.622 177 2HB SER 22 HB1 SER 22 -19.738 5.972 -6.621 178 HG SER 22 HG SER 22 -21.633 5.040 -5.049 179 H TRP 23 HN TRP 23 -19.698 6.537 -9.919 180 HA TRP 23 HA TRP 23 -19.405 4.024 -11.408 181 1HB TRP 23 HB2 TRP 23 -18.849 6.913 -11.902 182 2HB TRP 23 HB1 TRP 23 -17.754 5.774 -12.676 183 HD1 TRP 23 HD1 TRP 23 -21.073 7.408 -13.203 184 HE1 TRP 23 HE1 TRP 23 -22.277 6.303 -15.182 185 HE3 TRP 23 HE3 TRP 23 -18.161 3.245 -13.787 186 HZ2 TRP 23 HZ2 TRP 23 -22.070 3.968 -16.753 187 HZ3 TRP 23 HZ3 TRP 23 -18.719 1.622 -15.545 188 HH2 TRP 23 HH2 TRP 23 -20.651 1.975 -17.022 189 H HIS 24 HN HIS 24 -18.250 2.751 -9.988 190 HA HIS 24 HA HIS 24 -15.786 3.649 -8.738 191 1HB HIS 24 HB2 HIS 24 -17.467 1.163 -8.697 192 2HB HIS 24 HB1 HIS 24 -15.806 1.077 -8.149 193 HD1 HIS 24 HD1 HIS 24 -17.314 4.267 -7.215 194 HD2 HIS 24 HD2 HIS 24 -17.107 0.442 -5.645 195 HE1 HIS 24 HE1 HIS 24 -17.981 4.518 -4.814 196 H ASN 25 HN ASN 25 -13.817 3.456 -9.641 197 HA ASN 25 HA ASN 25 -13.401 1.738 -12.003 198 1HB ASN 25 HB2 ASN 25 -12.452 4.083 -11.920 199 2HB ASN 25 HB1 ASN 25 -11.414 3.563 -10.595 200 1HD2 ASN 25 HD22 ASN 25 -9.103 3.040 -13.233 201 2HD2 ASN 25 HD21 ASN 25 -9.647 4.159 -12.020 202 H VAL 26 HN VAL 26 -13.949 -0.068 -10.612 203 HA VAL 26 HA VAL 26 -12.051 -0.850 -8.537 204 HB VAL 26 HB VAL 26 -14.534 -0.969 -8.278 205 1HG1 VAL 26 HG13 VAL 26 -14.871 -1.862 -10.654 206 2HG1 VAL 26 HG12 VAL 26 -14.473 -3.443 -9.980 207 3HG1 VAL 26 HG11 VAL 26 -15.864 -2.541 -9.363 208 1HG2 VAL 26 HG22 VAL 26 -12.837 -2.346 -6.987 209 2HG2 VAL 26 HG21 VAL 26 -14.513 -2.893 -6.960 210 3HG2 VAL 26 HG23 VAL 26 -13.335 -3.706 -7.994 211 H TYR 27 HN TYR 27 -11.112 -2.957 -8.478 212 HA TYR 27 HA TYR 27 -10.124 -3.861 -11.090 213 1HB TYR 27 HB2 TYR 27 -8.657 -3.262 -9.076 214 2HB TYR 27 HB1 TYR 27 -9.205 -4.770 -8.367 215 HD1 TYR 27 HD1 TYR 27 -7.197 -3.246 -11.023 216 HD2 TYR 27 HD2 TYR 27 -8.486 -6.898 -9.239 217 HE1 TYR 27 HE1 TYR 27 -5.461 -4.468 -12.270 218 HE2 TYR 27 HE2 TYR 27 -6.758 -8.122 -10.486 219 HH TYR 27 HH TYR 27 -4.639 -7.723 -11.566 220 H CYS 28 HN CYS 28 -11.282 -5.412 -12.018 221 HA CYS 28 HA CYS 28 -12.798 -7.330 -10.387 222 1HB CYS 28 HB2 CYS 28 -12.891 -6.706 -13.344 223 2HB CYS 28 HB1 CYS 28 -13.898 -7.901 -12.534 224 HG CYS 28 HG CYS 28 -14.192 -5.135 -11.307 225 H VAL 29 HN VAL 29 -12.392 -9.447 -10.335 226 HA VAL 29 HA VAL 29 -10.326 -10.631 -12.092 227 HB VAL 29 HB VAL 29 -10.582 -10.955 -9.090 228 1HG1 VAL 29 HG13 VAL 29 -9.216 -12.614 -11.139 229 2HG1 VAL 29 HG12 VAL 29 -8.307 -12.259 -9.670 230 3HG1 VAL 29 HG11 VAL 29 -9.871 -13.064 -9.560 231 1HG2 VAL 29 HG21 VAL 29 -8.451 -9.710 -10.823 232 2HG2 VAL 29 HG23 VAL 29 -9.427 -8.929 -9.575 233 3HG2 VAL 29 HG22 VAL 29 -8.212 -10.123 -9.122 234 H ILE 30 HN ILE 30 -11.146 -12.351 -13.124 235 HA ILE 30 HA ILE 30 -13.674 -13.519 -12.206 236 HB ILE 30 HB ILE 30 -12.205 -14.410 -14.670 237 1HG1 ILE 30 HG12 ILE 30 -13.948 -11.934 -14.483 238 2HG1 ILE 30 HG11 ILE 30 -12.214 -11.947 -14.791 239 1HG2 ILE 30 HG23 ILE 30 -15.125 -14.172 -13.939 240 2HG2 ILE 30 HG22 ILE 30 -14.515 -14.712 -15.506 241 3HG2 ILE 30 HG21 ILE 30 -14.177 -15.657 -14.058 242 1HD1 ILE 30 HD13 ILE 30 -12.709 -13.395 -16.821 243 2HD1 ILE 30 HD12 ILE 30 -14.410 -12.987 -16.573 244 3HD1 ILE 30 HD11 ILE 30 -13.236 -11.714 -16.917 245 H ASN 31 HN ASN 31 -13.913 -15.490 -11.409 246 HA ASN 31 HA ASN 31 -11.653 -17.394 -11.363 247 1HB ASN 31 HB2 ASN 31 -11.723 -16.206 -9.181 248 2HB ASN 31 HB1 ASN 31 -13.412 -16.673 -8.990 249 1HD2 ASN 31 HD22 ASN 31 -12.311 -19.484 -7.232 250 2HD2 ASN 31 HD21 ASN 31 -13.217 -18.000 -7.237 251 H ASN 32 HN ASN 32 -13.188 -17.841 -13.256 252 HA ASN 32 HA ASN 32 -14.562 -19.347 -14.269 253 1HB ASN 32 HB2 ASN 32 -13.613 -20.915 -12.470 254 2HB ASN 32 HB1 ASN 32 -15.105 -20.639 -11.576 255 1HD2 ASN 32 HD22 ASN 32 -16.124 -23.564 -13.331 256 2HD2 ASN 32 HD21 ASN 32 -15.451 -22.960 -11.849 257 H GLN 33 HN GLN 33 -16.827 -20.230 -11.991 258 HA GLN 33 HA GLN 33 -18.751 -18.262 -13.001 259 1HB GLN 33 HB2 GLN 33 -19.051 -20.788 -11.374 260 2HB GLN 33 HB1 GLN 33 -20.402 -19.727 -11.770 261 1HG GLN 33 HG2 GLN 33 -20.423 -20.318 -13.974 262 2HG GLN 33 HG1 GLN 33 -18.679 -20.549 -14.049 263 1HE2 GLN 33 HE22 GLN 33 -20.604 -23.803 -14.279 264 2HE2 GLN 33 HE21 GLN 33 -20.835 -22.259 -15.028 265 H GLU 34 HN GLU 34 -16.786 -17.177 -11.357 266 HA GLU 34 HA GLU 34 -18.373 -15.915 -9.304 267 1HB GLU 34 HB2 GLU 34 -17.078 -18.149 -8.467 268 2HB GLU 34 HB1 GLU 34 -15.789 -16.967 -8.267 269 1HG GLU 34 HG2 GLU 34 -17.067 -15.681 -6.740 270 2HG GLU 34 HG1 GLU 34 -18.562 -16.498 -7.182 271 H MET 35 HN MET 35 -17.499 -13.868 -8.767 272 HA MET 35 HA MET 35 -14.947 -13.124 -10.065 273 1HB MET 35 HB2 MET 35 -15.877 -11.080 -10.929 274 2HB MET 35 HB1 MET 35 -16.856 -12.420 -11.515 275 1HG MET 35 HG2 MET 35 -18.465 -11.974 -9.649 276 2HG MET 35 HG1 MET 35 -17.534 -10.539 -9.252 277 1HE MET 35 HE1 MET 35 -16.883 -8.795 -11.083 278 2HE MET 35 HE3 MET 35 -16.922 -9.607 -12.653 279 3HE MET 35 HE2 MET 35 -18.009 -8.257 -12.329 280 H GLY 36 HN GLY 36 -13.728 -11.663 -8.962 281 1HA GLY 36 HA2 GLY 36 -14.661 -10.912 -6.247 282 2HA GLY 36 HA1 GLY 36 -13.001 -11.290 -6.665 283 H PHE 37 HN PHE 37 -14.738 -8.825 -5.746 284 HA PHE 37 HA PHE 37 -13.728 -6.802 -7.641 285 1HB PHE 37 HB2 PHE 37 -15.735 -6.672 -5.378 286 2HB PHE 37 HB1 PHE 37 -15.145 -5.249 -6.225 287 HD1 PHE 37 HD1 PHE 37 -15.581 -5.010 -8.674 288 HD2 PHE 37 HD2 PHE 37 -17.432 -8.041 -6.303 289 HE1 PHE 37 HE1 PHE 37 -17.301 -5.312 -10.408 290 HE2 PHE 37 HE2 PHE 37 -19.152 -8.343 -8.041 291 HZ PHE 37 HZ PHE 37 -19.090 -6.982 -10.093 292 H TYR 38 HN TYR 38 -11.734 -6.121 -7.198 293 HA TYR 38 HA TYR 38 -10.915 -5.705 -4.370 294 1HB TYR 38 HB2 TYR 38 -9.226 -6.530 -6.743 295 2HB TYR 38 HB1 TYR 38 -8.615 -6.196 -5.126 296 HD1 TYR 38 HD1 TYR 38 -9.554 -7.626 -3.189 297 HD2 TYR 38 HD2 TYR 38 -9.937 -8.668 -7.305 298 HE1 TYR 38 HE1 TYR 38 -9.992 -9.968 -2.558 299 HE2 TYR 38 HE2 TYR 38 -10.370 -11.007 -6.683 300 HH TYR 38 HH TYR 38 -11.371 -12.171 -4.460 301 H LYS 39 HN LYS 39 -9.081 -4.077 -4.215 302 HA LYS 39 HA LYS 39 -9.916 -1.611 -5.456 303 1HB LYS 39 HB2 LYS 39 -9.110 -1.890 -3.064 304 2HB LYS 39 HB1 LYS 39 -7.484 -2.026 -3.721 305 1HG LYS 39 HG2 LYS 39 -7.379 0.194 -4.320 306 2HG LYS 39 HG1 LYS 39 -9.116 0.305 -4.593 307 1HD LYS 39 HD2 LYS 39 -8.619 1.613 -2.651 308 2HD LYS 39 HD1 LYS 39 -9.453 0.158 -2.110 309 1HE LYS 39 HE2 LYS 39 -7.199 -0.852 -1.606 310 2HE LYS 39 HE1 LYS 39 -6.485 0.716 -1.970 311 1HZ LYS 39 HZ1 LYS 39 -8.648 0.989 -0.150 312 2HZ LYS 39 HZ3 LYS 39 -7.496 -0.115 0.449 313 3HZ LYS 39 HZ2 LYS 39 -7.020 1.465 0.023 314 H ASP 40 HN ASP 40 -7.240 -3.857 -5.906 315 HA ASP 40 HA ASP 40 -6.632 -2.892 -8.502 316 1HB ASP 40 HB2 ASP 40 -4.560 -1.823 -8.256 317 2HB ASP 40 HB1 ASP 40 -5.510 -1.132 -6.947 318 H ALA 41 HN ALA 41 -4.065 -3.804 -8.816 319 HA ALA 41 HA ALA 41 -4.389 -6.627 -8.924 320 1HB ALA 41 HB1 ALA 41 -2.994 -5.282 -10.499 321 2HB ALA 41 HB3 ALA 41 -1.821 -5.050 -9.201 322 3HB ALA 41 HB2 ALA 41 -2.148 -6.671 -9.819 323 H LYS 42 HN LYS 42 -2.505 -4.517 -6.753 324 HA LYS 42 HA LYS 42 -1.281 -6.660 -5.294 325 1HB LYS 42 HB2 LYS 42 -1.690 -3.744 -4.605 326 2HB LYS 42 HB1 LYS 42 -0.758 -4.872 -3.624 327 1HG LYS 42 HG2 LYS 42 0.613 -5.347 -5.708 328 2HG LYS 42 HG1 LYS 42 -0.188 -3.959 -6.445 329 1HD LYS 42 HD2 LYS 42 0.612 -2.620 -4.417 330 2HD LYS 42 HD1 LYS 42 1.639 -4.001 -4.035 331 1HE LYS 42 HE2 LYS 42 1.682 -2.462 -6.649 332 2HE LYS 42 HE1 LYS 42 2.836 -2.254 -5.334 333 1HZ LYS 42 HZ3 LYS 42 3.342 -4.692 -5.596 334 2HZ LYS 42 HZ2 LYS 42 2.439 -4.640 -7.046 335 3HZ LYS 42 HZ1 LYS 42 3.842 -3.687 -6.882 336 H SER 43 HN SER 43 -4.147 -4.625 -4.738 337 HA SER 43 HA SER 43 -4.866 -5.715 -2.215 338 1HB SER 43 HB2 SER 43 -6.611 -4.445 -4.331 339 2HB SER 43 HB1 SER 43 -7.081 -4.731 -2.657 340 HG SER 43 HG SER 43 -5.003 -3.026 -3.620 341 H ALA 44 HN ALA 44 -5.458 -6.733 -5.526 342 HA ALA 44 HA ALA 44 -7.410 -8.760 -4.894 343 1HB ALA 44 HB2 ALA 44 -7.314 -7.716 -7.120 344 2HB ALA 44 HB1 ALA 44 -5.703 -8.394 -7.368 345 3HB ALA 44 HB3 ALA 44 -7.101 -9.462 -7.221 346 H ALA 45 HN ALA 45 -3.946 -8.702 -5.583 347 HA ALA 45 HA ALA 45 -3.493 -11.496 -5.436 348 1HB ALA 45 HB1 ALA 45 -1.940 -9.883 -6.498 349 2HB ALA 45 HB3 ALA 45 -1.541 -9.246 -4.901 350 3HB ALA 45 HB2 ALA 45 -1.139 -10.915 -5.318 351 H SER 46 HN SER 46 -3.449 -8.937 -3.019 352 HA SER 46 HA SER 46 -2.457 -10.647 -0.891 353 1HB SER 46 HB2 SER 46 -3.643 -7.872 -0.676 354 2HB SER 46 HB1 SER 46 -2.629 -8.695 0.507 355 HG SER 46 HG SER 46 -1.925 -7.579 -1.992 356 H GLY 47 HN GLY 47 -5.602 -9.395 -1.939 357 1HA GLY 47 HA2 GLY 47 -7.646 -10.541 -1.562 358 2HA GLY 47 HA1 GLY 47 -6.939 -11.320 -0.152 359 H ILE 48 HN ILE 48 -7.163 -7.897 -1.101 360 HA ILE 48 HA ILE 48 -8.290 -7.228 1.542 361 HB ILE 48 HB ILE 48 -7.307 -5.277 -0.540 362 1HG1 ILE 48 HG12 ILE 48 -5.709 -6.773 1.552 363 2HG1 ILE 48 HG11 ILE 48 -5.447 -6.778 -0.187 364 1HG2 ILE 48 HG22 ILE 48 -8.683 -4.570 1.506 365 2HG2 ILE 48 HG21 ILE 48 -7.263 -5.006 2.459 366 3HG2 ILE 48 HG23 ILE 48 -7.152 -3.740 1.236 367 1HD1 ILE 48 HD11 ILE 48 -5.083 -4.227 0.067 368 2HD1 ILE 48 HD13 ILE 48 -4.909 -4.573 1.791 369 3HD1 ILE 48 HD12 ILE 48 -3.808 -5.310 0.624 370 HA PRO 49 HA PRO 49 -12.207 -6.898 -0.628 371 1HB PRO 49 HB2 PRO 49 -13.736 -6.222 1.514 372 2HB PRO 49 HB1 PRO 49 -13.181 -7.868 1.179 373 1HG PRO 49 HG2 PRO 49 -12.142 -5.874 3.127 374 2HG PRO 49 HG1 PRO 49 -12.282 -7.631 3.277 375 1HD PRO 49 HD2 PRO 49 -9.942 -6.296 2.711 376 2HD PRO 49 HD1 PRO 49 -10.252 -7.995 2.304 377 H TYR 50 HN TYR 50 -12.866 -5.260 -1.837 378 HA TYR 50 HA TYR 50 -13.089 -2.524 -0.762 379 1HB TYR 50 HB2 TYR 50 -10.970 -2.808 -2.039 380 2HB TYR 50 HB1 TYR 50 -11.908 -3.268 -3.447 381 HD1 TYR 50 HD1 TYR 50 -11.797 -0.494 -0.930 382 HD2 TYR 50 HD2 TYR 50 -12.359 -1.649 -4.998 383 HE1 TYR 50 HE1 TYR 50 -12.051 1.871 -1.571 384 HE2 TYR 50 HE2 TYR 50 -12.602 0.715 -5.640 385 HH TYR 50 HH TYR 50 -11.959 2.939 -4.796 386 H HIS 51 HN HIS 51 -15.303 -3.643 -0.660 387 HA HIS 51 HA HIS 51 -17.087 -2.531 -2.503 388 1HB HIS 51 HB2 HIS 51 -15.855 -4.886 -3.553 389 2HB HIS 51 HB1 HIS 51 -17.480 -5.349 -3.092 390 HD1 HIS 51 HD1 HIS 51 -18.741 -5.408 -5.191 391 HD2 HIS 51 HD2 HIS 51 -16.369 -2.026 -5.000 392 HE1 HIS 51 HE1 HIS 51 -19.273 -4.132 -7.273 393 H SER 52 HN SER 52 -19.341 -3.611 -2.235 394 HA SER 52 HA SER 52 -19.856 -3.993 0.578 395 1HB SER 52 HB2 SER 52 -21.827 -4.511 -1.661 396 2HB SER 52 HB1 SER 52 -22.158 -4.010 -0.004 397 HG SER 52 HG SER 52 -21.271 -1.981 -0.459 398 H GLU 53 HN GLU 53 -20.028 -5.979 -2.340 399 HA GLU 53 HA GLU 53 -19.655 -8.443 -0.737 400 1HB GLU 53 HB2 GLU 53 -21.353 -8.147 -3.235 401 2HB GLU 53 HB1 GLU 53 -21.020 -9.656 -2.384 402 1HG GLU 53 HG2 GLU 53 -22.017 -8.166 -0.348 403 2HG GLU 53 HG1 GLU 53 -22.891 -7.455 -1.702 404 H VAL 54 HN VAL 54 -17.489 -8.678 -1.120 405 HA VAL 54 HA VAL 54 -16.272 -7.953 -3.597 406 HB VAL 54 HB VAL 54 -15.237 -9.433 -1.187 407 1HG1 VAL 54 HG11 VAL 54 -13.903 -8.940 -3.825 408 2HG1 VAL 54 HG13 VAL 54 -12.960 -8.910 -2.336 409 3HG1 VAL 54 HG12 VAL 54 -13.840 -10.369 -2.793 410 1HG2 VAL 54 HG23 VAL 54 -15.692 -6.753 -1.701 411 2HG2 VAL 54 HG22 VAL 54 -14.658 -7.418 -0.442 412 3HG2 VAL 54 HG21 VAL 54 -13.966 -6.957 -1.997 413 HA PRO 55 HA PRO 55 -16.249 -12.519 -4.798 414 1HB PRO 55 HB2 PRO 55 -17.129 -14.463 -3.119 415 2HB PRO 55 HB1 PRO 55 -15.487 -13.812 -3.075 416 1HG PRO 55 HG2 PRO 55 -17.668 -13.456 -1.165 417 2HG PRO 55 HG1 PRO 55 -15.936 -13.173 -0.959 418 1HD PRO 55 HD2 PRO 55 -18.033 -11.242 -1.489 419 2HD PRO 55 HD1 PRO 55 -16.324 -10.964 -1.139 420 H VAL 56 HN VAL 56 -17.904 -11.907 -6.226 421 HA VAL 56 HA VAL 56 -20.699 -12.467 -5.441 422 HB VAL 56 HB VAL 56 -19.582 -10.959 -7.811 423 1HG1 VAL 56 HG12 VAL 56 -22.359 -11.727 -7.030 424 2HG1 VAL 56 HG11 VAL 56 -22.096 -10.148 -7.769 425 3HG1 VAL 56 HG13 VAL 56 -21.631 -11.610 -8.634 426 1HG2 VAL 56 HG22 VAL 56 -20.629 -10.113 -5.136 427 2HG2 VAL 56 HG21 VAL 56 -19.190 -9.565 -5.998 428 3HG2 VAL 56 HG23 VAL 56 -20.788 -9.043 -6.534 429 H SER 57 HN SER 57 -21.874 -14.043 -6.369 430 HA SER 57 HA SER 57 -20.612 -16.142 -7.809 431 1HB SER 57 HB2 SER 57 -23.535 -15.684 -7.322 432 2HB SER 57 HB1 SER 57 -22.742 -17.203 -7.666 433 HG SER 57 HG SER 57 -21.804 -17.209 -5.674 434 H LEU 58 HN LEU 58 -20.254 -16.198 -9.940 435 HA LEU 58 HA LEU 58 -21.813 -14.469 -11.751 436 1HB LEU 58 HB2 LEU 58 -19.181 -14.633 -11.605 437 2HB LEU 58 HB1 LEU 58 -19.418 -16.041 -12.633 438 HG LEU 58 HG LEU 58 -20.744 -14.583 -14.180 439 1HD1 LEU 58 HD12 LEU 58 -20.056 -12.561 -12.121 440 2HD1 LEU 58 HD11 LEU 58 -20.000 -12.049 -13.811 441 3HD1 LEU 58 HD13 LEU 58 -21.491 -12.702 -13.136 442 1HD2 LEU 58 HD22 LEU 58 -17.873 -14.528 -13.704 443 2HD2 LEU 58 HD21 LEU 58 -18.771 -14.741 -15.208 444 3HD2 LEU 58 HD23 LEU 58 -18.450 -13.120 -14.601 445 H LYS 59 HN LYS 59 -23.156 -16.685 -10.739 446 HA LYS 59 HA LYS 59 -23.164 -18.750 -12.814 447 1HB LYS 59 HB2 LYS 59 -23.783 -18.654 -10.014 448 2HB LYS 59 HB1 LYS 59 -25.241 -19.108 -10.880 449 1HG LYS 59 HG2 LYS 59 -22.618 -20.442 -11.496 450 2HG LYS 59 HG1 LYS 59 -23.584 -20.961 -10.119 451 1HD LYS 59 HD2 LYS 59 -25.348 -21.704 -11.467 452 2HD LYS 59 HD1 LYS 59 -24.841 -20.721 -12.841 453 1HE LYS 59 HE2 LYS 59 -24.412 -23.190 -13.091 454 2HE LYS 59 HE1 LYS 59 -23.000 -22.167 -13.316 455 1HZ LYS 59 HZ2 LYS 59 -23.683 -23.598 -10.800 456 2HZ LYS 59 HZ1 LYS 59 -22.542 -24.126 -11.948 457 3HZ LYS 59 HZ3 LYS 59 -22.270 -22.683 -11.090 458 H GLU 60 HN GLU 60 -24.434 -18.508 -14.528 459 HA GLU 60 HA GLU 60 -26.093 -17.828 -15.952 460 1HB GLU 60 HB2 GLU 60 -27.696 -17.668 -13.385 461 2HB GLU 60 HB1 GLU 60 -28.377 -17.572 -15.004 462 1HG GLU 60 HG2 GLU 60 -28.087 -19.799 -15.428 463 2HG GLU 60 HG1 GLU 60 -26.633 -19.916 -14.437 464 H ALA 61 HN ALA 61 -24.366 -15.921 -15.702 465 HA ALA 61 HA ALA 61 -25.715 -13.402 -14.956 466 1HB ALA 61 HB2 ALA 61 -23.429 -13.858 -14.071 467 2HB ALA 61 HB1 ALA 61 -22.817 -13.860 -15.730 468 3HB ALA 61 HB3 ALA 61 -23.519 -12.394 -15.045 469 H ILE 62 HN ILE 62 -26.749 -12.349 -16.519 470 HA ILE 62 HA ILE 62 -26.212 -12.887 -19.328 471 HB ILE 62 HB ILE 62 -28.194 -10.941 -18.147 472 1HG1 ILE 62 HG12 ILE 62 -28.595 -13.856 -18.870 473 2HG1 ILE 62 HG11 ILE 62 -28.628 -13.174 -17.246 474 1HG2 ILE 62 HG22 ILE 62 -27.406 -11.612 -20.831 475 2HG2 ILE 62 HG21 ILE 62 -29.087 -12.083 -20.574 476 3HG2 ILE 62 HG23 ILE 62 -28.588 -10.416 -20.285 477 1HD1 ILE 62 HD12 ILE 62 -30.488 -11.605 -18.355 478 2HD1 ILE 62 HD11 ILE 62 -30.659 -13.005 -19.420 479 3HD1 ILE 62 HD13 ILE 62 -30.884 -13.189 -17.679 480 H CYS 63 HN CYS 63 -24.955 -11.686 -20.571 481 HA CYS 63 HA CYS 63 -24.075 -9.023 -19.609 482 1HB CYS 63 HB2 CYS 63 -22.514 -11.248 -20.105 483 2HB CYS 63 HB1 CYS 63 -22.369 -10.343 -21.598 484 HG CYS 63 HG CYS 63 -21.425 -8.332 -20.222 485 H GLU 64 HN GLU 64 -25.067 -7.462 -20.722 486 HA GLU 64 HA GLU 64 -25.697 -7.843 -23.603 487 1HB GLU 64 HB2 GLU 64 -26.837 -5.743 -21.748 488 2HB GLU 64 HB1 GLU 64 -27.432 -6.216 -23.337 489 1HG GLU 64 HG2 GLU 64 -28.111 -8.394 -22.481 490 2HG GLU 64 HG1 GLU 64 -27.416 -8.022 -20.903 491 H VAL 65 HN VAL 65 -25.319 -5.982 -25.012 492 HA VAL 65 HA VAL 65 -22.922 -4.451 -24.208 493 HB VAL 65 HB VAL 65 -24.162 -4.741 -26.952 494 1HG1 VAL 65 HG13 VAL 65 -21.535 -3.645 -25.956 495 2HG1 VAL 65 HG12 VAL 65 -21.785 -4.134 -27.633 496 3HG1 VAL 65 HG11 VAL 65 -22.757 -2.836 -26.939 497 1HG2 VAL 65 HG21 VAL 65 -22.481 -6.572 -25.394 498 2HG2 VAL 65 HG23 VAL 65 -23.468 -6.879 -26.818 499 3HG2 VAL 65 HG22 VAL 65 -21.845 -6.203 -27.001 500 H ALA 66 HN ALA 66 -22.837 -2.252 -24.239 501 HA ALA 66 HA ALA 66 -25.295 -0.700 -24.817 502 1HB ALA 66 HB3 ALA 66 -25.095 -0.980 -22.375 503 2HB ALA 66 HB2 ALA 66 -23.455 -0.337 -22.428 504 3HB ALA 66 HB1 ALA 66 -24.821 0.696 -22.848 505 H LEU 67 HN LEU 67 -24.398 -0.166 -26.812 506 HA LEU 67 HA LEU 67 -21.786 1.080 -27.013 507 1HB LEU 67 HB2 LEU 67 -23.505 -0.287 -28.766 508 2HB LEU 67 HB1 LEU 67 -23.442 1.357 -29.382 509 HG LEU 67 HG LEU 67 -21.718 -0.063 -30.385 510 1HD1 LEU 67 HD21 LEU 67 -21.298 2.351 -30.083 511 2HD1 LEU 67 HD23 LEU 67 -20.494 2.003 -28.553 512 3HD1 LEU 67 HD22 LEU 67 -19.815 1.393 -30.061 513 1HD2 LEU 67 HD11 LEU 67 -21.434 -1.093 -27.793 514 2HD2 LEU 67 HD13 LEU 67 -20.513 -1.531 -29.233 515 3HD2 LEU 67 HD12 LEU 67 -19.913 -0.273 -28.151 516 H ASP 68 HN ASP 68 -24.956 2.215 -26.333 517 HA ASP 68 HA ASP 68 -24.037 4.998 -26.760 518 1HB ASP 68 HB2 ASP 68 -25.546 4.240 -28.645 519 2HB ASP 68 HB1 ASP 68 -26.839 4.074 -27.456 520 H TYR 69 HN TYR 69 -23.725 4.148 -24.326 521 HA TYR 69 HA TYR 69 -26.168 4.730 -22.771 522 1HB TYR 69 HB2 TYR 69 -24.874 2.705 -22.134 523 2HB TYR 69 HB1 TYR 69 -23.483 3.728 -21.785 524 HD1 TYR 69 HD1 TYR 69 -27.142 3.673 -20.967 525 HD2 TYR 69 HD2 TYR 69 -23.156 4.208 -19.531 526 HE1 TYR 69 HE1 TYR 69 -28.016 4.106 -18.707 527 HE2 TYR 69 HE2 TYR 69 -24.038 4.634 -17.268 528 HH TYR 69 HH TYR 69 -27.497 4.905 -16.631 529 H LYS 70 HN LYS 70 -25.566 6.890 -23.997 530 HA LYS 70 HA LYS 70 -25.074 9.098 -23.845 531 1HB LYS 70 HB2 LYS 70 -24.844 8.490 -20.894 532 2HB LYS 70 HB1 LYS 70 -24.960 10.097 -21.605 533 1HG LYS 70 HG2 LYS 70 -27.138 9.421 -22.631 534 2HG LYS 70 HG1 LYS 70 -27.027 7.891 -21.757 535 1HD LYS 70 HD2 LYS 70 -27.193 8.995 -19.647 536 2HD LYS 70 HD1 LYS 70 -26.955 10.580 -20.372 537 1HE LYS 70 HE2 LYS 70 -29.354 9.895 -19.699 538 2HE LYS 70 HE1 LYS 70 -29.118 10.609 -21.293 539 1HZ LYS 70 HZ2 LYS 70 -29.038 8.328 -22.208 540 2HZ LYS 70 HZ1 LYS 70 -29.439 7.722 -20.660 541 3HZ LYS 70 HZ3 LYS 70 -30.534 8.722 -21.501 542 H LYS 71 HN LYS 71 -23.183 8.620 -25.071 543 HA LYS 71 HA LYS 71 -21.036 9.006 -25.640 544 1HB LYS 71 HB2 LYS 71 -20.630 10.135 -22.864 545 2HB LYS 71 HB1 LYS 71 -19.659 10.441 -24.300 546 1HG LYS 71 HG2 LYS 71 -21.857 11.337 -25.333 547 2HG LYS 71 HG1 LYS 71 -22.446 11.397 -23.677 548 1HD LYS 71 HD2 LYS 71 -21.344 13.311 -23.310 549 2HD LYS 71 HD1 LYS 71 -19.820 12.580 -23.805 550 1HE LYS 71 HE2 LYS 71 -21.879 13.681 -25.730 551 2HE LYS 71 HE1 LYS 71 -20.492 14.593 -25.139 552 1HZ LYS 71 HZ1 LYS 71 -20.130 11.965 -26.452 553 2HZ LYS 71 HZ3 LYS 71 -20.292 13.385 -27.370 554 3HZ LYS 71 HZ2 LYS 71 -19.005 13.232 -26.253 555 H LYS 72 HN LYS 72 -18.884 8.929 -23.477 556 HA LYS 72 HA LYS 72 -17.370 7.448 -22.601 557 1HB LYS 72 HB2 LYS 72 -19.659 5.468 -22.517 558 2HB LYS 72 HB1 LYS 72 -18.140 5.372 -21.639 559 1HG LYS 72 HG2 LYS 72 -18.743 7.549 -20.530 560 2HG LYS 72 HG1 LYS 72 -20.342 7.397 -21.248 561 1HD LYS 72 HD2 LYS 72 -20.911 5.577 -19.925 562 2HD LYS 72 HD1 LYS 72 -19.235 5.110 -19.667 563 1HE LYS 72 HE2 LYS 72 -20.488 7.606 -18.491 564 2HE LYS 72 HE1 LYS 72 -20.373 6.072 -17.641 565 1HZ LYS 72 HZ2 LYS 72 -17.892 6.244 -18.130 566 2HZ LYS 72 HZ1 LYS 72 -18.201 7.892 -18.471 567 3HZ LYS 72 HZ3 LYS 72 -18.536 7.258 -16.929 568 H LYS 73 HN LYS 73 -16.383 5.149 -23.062 569 HA LYS 73 HA LYS 73 -15.966 4.981 -25.913 570 1HB LYS 73 HB2 LYS 73 -14.916 3.354 -23.584 571 2HB LYS 73 HB1 LYS 73 -14.469 3.057 -25.264 572 1HG LYS 73 HG2 LYS 73 -13.801 5.530 -25.349 573 2HG LYS 73 HG1 LYS 73 -13.887 5.490 -23.590 574 1HD LYS 73 HD2 LYS 73 -12.060 4.118 -23.390 575 2HD LYS 73 HD1 LYS 73 -12.338 3.339 -24.942 576 1HE LYS 73 HE2 LYS 73 -10.434 4.590 -25.359 577 2HE LYS 73 HE1 LYS 73 -11.710 5.642 -25.957 578 1HZ LYS 73 HZ1 LYS 73 -10.707 5.878 -23.189 579 2HZ LYS 73 HZ3 LYS 73 -9.898 6.638 -24.486 580 3HZ LYS 73 HZ2 LYS 73 -11.519 7.044 -24.130 581 H HIS 74 HN HIS 74 -16.288 2.096 -23.958 582 HA HIS 74 HA HIS 74 -18.742 1.268 -25.376 583 1HB HIS 74 HB2 HIS 74 -16.172 -0.333 -25.181 584 2HB HIS 74 HB1 HIS 74 -17.725 -1.018 -25.647 585 HD1 HIS 74 HD1 HIS 74 -15.098 -0.797 -27.460 586 HD2 HIS 74 HD2 HIS 74 -18.470 1.567 -27.753 587 HE1 HIS 74 HE1 HIS 74 -15.035 0.123 -29.781 588 H VAL 75 HN VAL 75 -20.194 0.580 -23.942 589 HA VAL 75 HA VAL 75 -19.281 -0.422 -21.300 590 HB VAL 75 HB VAL 75 -21.782 1.135 -22.004 591 1HG1 VAL 75 HG13 VAL 75 -20.819 0.006 -19.383 592 2HG1 VAL 75 HG12 VAL 75 -22.002 1.310 -19.488 593 3HG1 VAL 75 HG11 VAL 75 -22.370 -0.268 -20.183 594 1HG2 VAL 75 HG21 VAL 75 -19.115 1.935 -20.999 595 2HG2 VAL 75 HG23 VAL 75 -20.296 2.845 -21.942 596 3HG2 VAL 75 HG22 VAL 75 -20.508 2.668 -20.199 597 H PHE 76 HN PHE 76 -20.663 -2.015 -20.302 598 HA PHE 76 HA PHE 76 -22.604 -3.381 -22.002 599 1HB PHE 76 HB2 PHE 76 -21.581 -5.594 -21.643 600 2HB PHE 76 HB1 PHE 76 -20.577 -4.535 -22.609 601 HD1 PHE 76 HD1 PHE 76 -18.501 -3.541 -21.620 602 HD2 PHE 76 HD2 PHE 76 -20.828 -6.481 -19.570 603 HE1 PHE 76 HE1 PHE 76 -16.591 -4.026 -20.142 604 HE2 PHE 76 HE2 PHE 76 -18.916 -6.963 -18.096 605 HZ PHE 76 HZ PHE 76 -16.797 -5.742 -18.378 606 H LYS 77 HN LYS 77 -24.189 -4.411 -20.873 607 HA LYS 77 HA LYS 77 -24.325 -3.801 -18.009 608 1HB LYS 77 HB2 LYS 77 -26.510 -5.004 -19.706 609 2HB LYS 77 HB1 LYS 77 -26.662 -4.175 -18.164 610 1HG LYS 77 HG2 LYS 77 -25.552 -2.187 -19.570 611 2HG LYS 77 HG1 LYS 77 -26.325 -3.049 -20.897 612 1HD LYS 77 HD2 LYS 77 -27.776 -2.242 -18.369 613 2HD LYS 77 HD1 LYS 77 -27.723 -1.241 -19.813 614 1HE LYS 77 HE2 LYS 77 -29.680 -2.338 -20.249 615 2HE LYS 77 HE1 LYS 77 -28.572 -3.502 -20.961 616 1HZ LYS 77 HZ3 LYS 77 -29.177 -3.819 -18.120 617 2HZ LYS 77 HZ2 LYS 77 -30.424 -4.175 -19.225 618 3HZ LYS 77 HZ1 LYS 77 -28.938 -4.999 -19.336 619 H LEU 78 HN LEU 78 -23.849 -5.273 -16.553 620 HA LEU 78 HA LEU 78 -23.934 -8.148 -17.259 621 1HB LEU 78 HB2 LEU 78 -21.761 -7.142 -16.459 622 2HB LEU 78 HB1 LEU 78 -22.527 -6.846 -14.915 623 HG LEU 78 HG LEU 78 -21.087 -9.021 -15.430 624 1HD1 LEU 78 HD22 LEU 78 -22.449 -8.235 -13.349 625 2HD1 LEU 78 HD21 LEU 78 -23.563 -9.506 -13.854 626 3HD1 LEU 78 HD23 LEU 78 -21.886 -9.904 -13.477 627 1HD2 LEU 78 HD11 LEU 78 -22.568 -9.736 -17.299 628 2HD2 LEU 78 HD13 LEU 78 -22.394 -10.937 -16.022 629 3HD2 LEU 78 HD12 LEU 78 -23.862 -9.975 -16.121 630 H ARG 79 HN ARG 79 -26.055 -8.489 -16.963 631 HA ARG 79 HA ARG 79 -27.387 -7.763 -14.448 632 1HB ARG 79 HB2 ARG 79 -28.443 -7.212 -16.603 633 2HB ARG 79 HB1 ARG 79 -28.447 -8.914 -17.039 634 1HG ARG 79 HG2 ARG 79 -29.944 -9.396 -15.149 635 2HG ARG 79 HG1 ARG 79 -29.938 -7.690 -14.714 636 1HD ARG 79 HD2 ARG 79 -30.697 -7.381 -17.228 637 2HD ARG 79 HD1 ARG 79 -31.214 -9.055 -17.048 638 HE ARG 79 HE ARG 79 -32.532 -6.747 -15.997 639 1HH1 ARG 79 HH21 ARG 79 -32.741 -7.227 -13.418 640 2HH1 ARG 79 HH22 ARG 79 -33.617 -8.715 -13.127 641 1HH2 ARG 79 HH11 ARG 79 -33.233 -9.891 -16.433 642 2HH2 ARG 79 HH12 ARG 79 -33.895 -10.240 -14.857 643 H LEU 80 HN LEU 80 -27.341 -9.218 -12.846 644 HA LEU 80 HA LEU 80 -26.726 -12.011 -13.297 645 1HB LEU 80 HB2 LEU 80 -27.420 -10.398 -10.854 646 2HB LEU 80 HB1 LEU 80 -27.123 -12.129 -10.784 647 HG LEU 80 HG LEU 80 -25.137 -10.290 -12.071 648 1HD1 LEU 80 HD11 LEU 80 -25.585 -9.308 -9.879 649 2HD1 LEU 80 HD13 LEU 80 -25.284 -10.867 -9.111 650 3HD1 LEU 80 HD12 LEU 80 -23.975 -10.024 -9.941 651 1HD2 LEU 80 HD22 LEU 80 -24.852 -12.712 -12.327 652 2HD2 LEU 80 HD21 LEU 80 -23.535 -11.996 -11.398 653 3HD2 LEU 80 HD23 LEU 80 -24.813 -12.890 -10.574 654 H SER 81 HN SER 81 -28.160 -13.729 -12.274 655 HA SER 81 HA SER 81 -30.664 -13.787 -13.560 656 1HB SER 81 HB2 SER 81 -31.042 -15.824 -11.998 657 2HB SER 81 HB1 SER 81 -29.740 -15.883 -13.183 658 HG SER 81 HG SER 81 -29.616 -15.885 -10.423 659 H ASP 82 HN ASP 82 -29.870 -13.036 -10.185 660 HA ASP 82 HA ASP 82 -32.260 -11.507 -9.813 661 1HB ASP 82 HB2 ASP 82 -33.184 -13.862 -9.632 662 2HB ASP 82 HB1 ASP 82 -32.175 -14.082 -8.205 663 H GLY 83 HN GLY 83 -30.333 -10.141 -9.281 664 1HA GLY 83 HA2 GLY 83 -29.855 -10.099 -6.430 665 2HA GLY 83 HA1 GLY 83 -28.425 -10.482 -7.390 666 H ASN 84 HN ASN 84 -27.965 -8.951 -9.216 667 HA ASN 84 HA ASN 84 -28.856 -6.187 -8.872 668 1HB ASN 84 HB2 ASN 84 -25.987 -7.126 -8.595 669 2HB ASN 84 HB1 ASN 84 -26.450 -5.443 -8.811 670 1HD2 ASN 84 HD22 ASN 84 -26.534 -7.106 -5.148 671 2HD2 ASN 84 HD21 ASN 84 -26.005 -7.961 -6.568 672 H GLU 85 HN GLU 85 -27.960 -4.816 -10.605 673 HA GLU 85 HA GLU 85 -26.951 -6.238 -12.970 674 1HB GLU 85 HB2 GLU 85 -28.886 -5.902 -14.115 675 2HB GLU 85 HB1 GLU 85 -29.593 -5.078 -12.736 676 1HG GLU 85 HG2 GLU 85 -28.852 -2.956 -13.499 677 2HG GLU 85 HG1 GLU 85 -27.755 -3.677 -14.677 678 H TYR 86 HN TYR 86 -25.094 -5.360 -13.441 679 HA TYR 86 HA TYR 86 -24.546 -2.556 -12.639 680 1HB TYR 86 HB2 TYR 86 -22.516 -4.746 -13.035 681 2HB TYR 86 HB1 TYR 86 -22.280 -3.180 -12.279 682 HD1 TYR 86 HD1 TYR 86 -23.197 -2.734 -10.023 683 HD2 TYR 86 HD2 TYR 86 -23.375 -6.625 -11.793 684 HE1 TYR 86 HE1 TYR 86 -23.531 -3.736 -7.806 685 HE2 TYR 86 HE2 TYR 86 -23.699 -7.616 -9.566 686 HH TYR 86 HH TYR 86 -24.150 -7.190 -7.399 687 H LEU 87 HN LEU 87 -23.295 -1.261 -13.985 688 HA LEU 87 HA LEU 87 -23.167 -2.081 -16.836 689 1HB LEU 87 HB2 LEU 87 -22.843 0.742 -15.810 690 2HB LEU 87 HB1 LEU 87 -23.232 0.205 -17.437 691 HG LEU 87 HG LEU 87 -25.015 0.173 -15.017 692 1HD1 LEU 87 HD12 LEU 87 -24.684 2.293 -16.351 693 2HD1 LEU 87 HD11 LEU 87 -25.474 1.463 -17.693 694 3HD1 LEU 87 HD13 LEU 87 -26.351 1.737 -16.184 695 1HD2 LEU 87 HD23 LEU 87 -25.186 -1.370 -17.540 696 2HD2 LEU 87 HD22 LEU 87 -25.845 -1.734 -15.943 697 3HD2 LEU 87 HD21 LEU 87 -26.670 -0.584 -16.997 698 H PHE 88 HN PHE 88 -21.191 -2.591 -17.544 699 HA PHE 88 HA PHE 88 -18.840 -1.668 -16.010 700 1HB PHE 88 HB2 PHE 88 -19.406 -4.132 -17.608 701 2HB PHE 88 HB1 PHE 88 -17.752 -3.629 -17.288 702 HD1 PHE 88 HD1 PHE 88 -16.971 -3.410 -14.935 703 HD2 PHE 88 HD2 PHE 88 -20.707 -5.215 -15.924 704 HE1 PHE 88 HE1 PHE 88 -17.036 -4.475 -12.722 705 HE2 PHE 88 HE2 PHE 88 -20.772 -6.284 -13.702 706 HZ PHE 88 HZ PHE 88 -18.943 -5.912 -12.101 707 H GLN 89 HN GLN 89 -17.522 -0.271 -16.923 708 HA GLN 89 HA GLN 89 -17.645 0.152 -19.856 709 1HB GLN 89 HB2 GLN 89 -18.200 2.224 -19.108 710 2HB GLN 89 HB1 GLN 89 -17.435 2.002 -17.550 711 1HG GLN 89 HG2 GLN 89 -15.246 2.459 -18.489 712 2HG GLN 89 HG1 GLN 89 -15.920 2.473 -20.122 713 1HE2 GLN 89 HE22 GLN 89 -15.894 5.976 -19.694 714 2HE2 GLN 89 HE21 GLN 89 -15.075 4.601 -20.381 715 H ALA 90 HN ALA 90 -15.930 -0.327 -21.013 716 HA ALA 90 HA ALA 90 -13.371 -1.000 -19.678 717 1HB ALA 90 HB2 ALA 90 -14.613 -2.727 -21.114 718 2HB ALA 90 HB1 ALA 90 -14.164 -1.738 -22.505 719 3HB ALA 90 HB3 ALA 90 -12.909 -2.458 -21.492 720 H LYS 91 HN LYS 91 -11.383 -0.449 -20.884 721 HA LYS 91 HA LYS 91 -11.562 2.274 -21.988 722 1HB LYS 91 HB2 LYS 91 -9.052 2.224 -21.699 723 2HB LYS 91 HB1 LYS 91 -10.001 2.122 -20.221 724 1HG LYS 91 HG2 LYS 91 -9.399 -0.511 -21.345 725 2HG LYS 91 HG1 LYS 91 -7.950 0.414 -20.973 726 1HD LYS 91 HD2 LYS 91 -8.942 0.853 -18.682 727 2HD LYS 91 HD1 LYS 91 -10.191 -0.323 -19.083 728 1HE LYS 91 HE2 LYS 91 -7.865 -1.675 -19.714 729 2HE LYS 91 HE1 LYS 91 -7.391 -0.739 -18.302 730 1HZ LYS 91 HZ1 LYS 91 -9.594 -1.658 -17.334 731 2HZ LYS 91 HZ3 LYS 91 -9.431 -2.848 -18.536 732 3HZ LYS 91 HZ2 LYS 91 -8.208 -2.637 -17.360 733 H ASP 92 HN ASP 92 -11.247 -0.916 -23.123 734 HA ASP 92 HA ASP 92 -10.438 0.066 -25.784 735 1HB ASP 92 HB2 ASP 92 -8.456 -0.951 -24.678 736 2HB ASP 92 HB1 ASP 92 -9.355 -2.449 -24.482 737 H ASP 93 HN ASP 93 -11.191 -1.207 -27.510 738 HA ASP 93 HA ASP 93 -13.828 -2.258 -27.194 739 1HB ASP 93 HB2 ASP 93 -13.103 -1.087 -29.229 740 2HB ASP 93 HB1 ASP 93 -11.942 -2.367 -29.564 741 H GLU 94 HN GLU 94 -10.655 -3.736 -27.756 742 HA GLU 94 HA GLU 94 -11.570 -6.414 -28.069 743 1HB GLU 94 HB2 GLU 94 -8.865 -5.405 -27.151 744 2HB GLU 94 HB1 GLU 94 -9.220 -7.048 -27.674 745 1HG GLU 94 HG2 GLU 94 -9.469 -4.553 -29.382 746 2HG GLU 94 HG1 GLU 94 -8.185 -5.754 -29.489 747 H GLU 95 HN GLU 95 -10.629 -4.494 -25.273 748 HA GLU 95 HA GLU 95 -10.619 -6.570 -23.337 749 1HB GLU 95 HB2 GLU 95 -9.801 -4.075 -23.206 750 2HB GLU 95 HB1 GLU 95 -11.443 -3.770 -22.643 751 1HG GLU 95 HG2 GLU 95 -10.952 -5.765 -21.018 752 2HG GLU 95 HG1 GLU 95 -9.265 -5.413 -21.378 753 H MET 96 HN MET 96 -13.129 -4.301 -24.429 754 HA MET 96 HA MET 96 -15.238 -4.996 -22.730 755 1HB MET 96 HB2 MET 96 -15.282 -3.069 -24.256 756 2HB MET 96 HB1 MET 96 -15.352 -4.151 -25.637 757 1HG MET 96 HG2 MET 96 -17.448 -4.676 -23.660 758 2HG MET 96 HG1 MET 96 -17.521 -3.051 -24.324 759 1HE MET 96 HE1 MET 96 -16.813 -2.799 -26.872 760 2HE MET 96 HE3 MET 96 -17.607 -3.734 -28.143 761 3HE MET 96 HE2 MET 96 -18.555 -2.674 -27.105 762 H ASN 97 HN ASN 97 -14.337 -6.391 -25.888 763 HA ASN 97 HA ASN 97 -16.411 -8.334 -25.988 764 1HB ASN 97 HB2 ASN 97 -14.990 -7.516 -27.931 765 2HB ASN 97 HB1 ASN 97 -13.704 -8.557 -27.325 766 1HD2 ASN 97 HD22 ASN 97 -15.038 -11.004 -29.471 767 2HD2 ASN 97 HD21 ASN 97 -13.726 -9.909 -29.128 768 H THR 98 HN THR 98 -13.050 -8.481 -24.824 769 HA THR 98 HA THR 98 -12.947 -11.237 -24.213 770 HB THR 98 HB THR 98 -11.474 -9.030 -22.761 771 HG1 THR 98 HG1 THR 98 -11.033 -8.653 -24.869 772 1HG2 THR 98 HG22 THR 98 -11.182 -11.981 -22.966 773 2HG2 THR 98 HG21 THR 98 -9.698 -11.026 -23.004 774 3HG2 THR 98 HG23 THR 98 -10.798 -10.892 -21.631 775 H TRP 99 HN TRP 99 -13.942 -8.447 -22.234 776 HA TRP 99 HA TRP 99 -14.367 -9.872 -19.802 777 1HB TRP 99 HB2 TRP 99 -15.343 -7.234 -20.886 778 2HB TRP 99 HB1 TRP 99 -15.964 -7.859 -19.367 779 HD1 TRP 99 HD1 TRP 99 -13.409 -5.562 -20.535 780 HE1 TRP 99 HE1 TRP 99 -11.570 -5.248 -18.789 781 HE3 TRP 99 HE3 TRP 99 -14.415 -9.543 -17.447 782 HZ2 TRP 99 HZ2 TRP 99 -10.647 -6.472 -16.443 783 HZ3 TRP 99 HZ3 TRP 99 -13.008 -9.891 -15.459 784 HH2 TRP 99 HH2 TRP 99 -11.140 -8.373 -14.961 785 H ILE 100 HN ILE 100 -16.660 -8.772 -22.316 786 HA ILE 100 HA ILE 100 -18.984 -9.900 -21.230 787 HB ILE 100 HB ILE 100 -18.186 -9.240 -24.062 788 1HG1 ILE 100 HG12 ILE 100 -20.161 -7.872 -22.229 789 2HG1 ILE 100 HG11 ILE 100 -18.464 -7.419 -22.332 790 1HG2 ILE 100 HG21 ILE 100 -20.756 -10.402 -23.041 791 2HG2 ILE 100 HG23 ILE 100 -20.767 -9.286 -24.408 792 3HG2 ILE 100 HG22 ILE 100 -19.856 -10.791 -24.510 793 1HD1 ILE 100 HD12 ILE 100 -18.983 -7.288 -24.919 794 2HD1 ILE 100 HD11 ILE 100 -20.645 -7.101 -24.361 795 3HD1 ILE 100 HD13 ILE 100 -19.410 -5.949 -23.854 796 H GLN 101 HN GLN 101 -16.737 -11.302 -23.657 797 HA GLN 101 HA GLN 101 -18.134 -13.735 -23.998 798 1HB GLN 101 HB2 GLN 101 -15.228 -12.999 -24.401 799 2HB GLN 101 HB1 GLN 101 -15.902 -14.561 -24.861 800 1HG GLN 101 HG2 GLN 101 -17.289 -12.079 -25.812 801 2HG GLN 101 HG1 GLN 101 -15.778 -12.540 -26.588 802 1HE2 GLN 101 HE22 GLN 101 -17.156 -15.313 -28.285 803 2HE2 GLN 101 HE21 GLN 101 -15.720 -14.426 -27.857 804 H ALA 102 HN ALA 102 -15.544 -12.842 -21.730 805 HA ALA 102 HA ALA 102 -15.149 -15.448 -20.652 806 1HB ALA 102 HB2 ALA 102 -14.600 -12.722 -19.445 807 2HB ALA 102 HB1 ALA 102 -14.030 -14.257 -18.783 808 3HB ALA 102 HB3 ALA 102 -13.468 -13.718 -20.366 809 H ILE 103 HN ILE 103 -17.227 -12.738 -19.714 810 HA ILE 103 HA ILE 103 -18.272 -13.942 -17.337 811 HB ILE 103 HB ILE 103 -19.224 -11.658 -19.070 812 1HG1 ILE 103 HG12 ILE 103 -18.149 -11.460 -16.275 813 2HG1 ILE 103 HG11 ILE 103 -17.036 -11.597 -17.629 814 1HG2 ILE 103 HG21 ILE 103 -20.440 -12.892 -16.629 815 2HG2 ILE 103 HG23 ILE 103 -20.487 -11.139 -16.813 816 3HG2 ILE 103 HG22 ILE 103 -21.223 -12.170 -18.039 817 1HD1 ILE 103 HD11 ILE 103 -18.955 -9.612 -18.320 818 2HD1 ILE 103 HD13 ILE 103 -18.415 -9.275 -16.676 819 3HD1 ILE 103 HD12 ILE 103 -17.240 -9.394 -17.986 820 H SER 104 HN SER 104 -19.450 -13.687 -20.706 821 HA SER 104 HA SER 104 -21.937 -14.992 -20.293 822 1HB SER 104 HB2 SER 104 -20.239 -14.576 -22.757 823 2HB SER 104 HB1 SER 104 -21.832 -15.322 -22.797 824 HG SER 104 HG SER 104 -21.866 -13.010 -23.177 825 H SER 105 HN SER 105 -18.694 -16.196 -20.913 826 HA SER 105 HA SER 105 -19.565 -18.926 -21.426 827 1HB SER 105 HB2 SER 105 -16.825 -17.678 -21.126 828 2HB SER 105 HB1 SER 105 -17.095 -19.389 -21.456 829 HG SER 105 HG SER 105 -18.260 -18.754 -23.357 830 H ALA 106 HN ALA 106 -19.803 -17.354 -18.683 831 HA ALA 106 HA ALA 106 -18.354 -19.126 -16.874 832 1HB ALA 106 HB1 ALA 106 -18.674 -16.744 -16.305 833 2HB ALA 106 HB3 ALA 106 -20.419 -16.984 -16.290 834 3HB ALA 106 HB2 ALA 106 -19.408 -17.802 -15.100 No H/Q in entry = 834 Start of MODEL 29 1 1H MET 1 HT2 MET 1 -9.593 -12.958 -16.884 2 2H MET 1 HT1 MET 1 -9.555 -13.406 -18.528 3 3H MET 1 HT3 MET 1 -8.166 -13.594 -17.563 4 HA MET 1 HA MET 1 -7.505 -11.655 -18.332 5 1HB MET 1 HB2 MET 1 -9.179 -11.832 -20.153 6 2HB MET 1 HB1 MET 1 -10.372 -11.059 -19.117 7 1HG MET 1 HG2 MET 1 -9.163 -9.594 -20.833 8 2HG MET 1 HG1 MET 1 -9.273 -8.991 -19.191 9 1HE MET 1 HE2 MET 1 -7.755 -7.393 -20.414 10 2HE MET 1 HE1 MET 1 -6.050 -7.406 -19.964 11 3HE MET 1 HE3 MET 1 -6.561 -8.044 -21.535 12 H GLU 2 HN GLU 2 -7.170 -11.438 -16.010 13 HA GLU 2 HA GLU 2 -8.983 -9.925 -14.340 14 1HB GLU 2 HB2 GLU 2 -6.169 -10.953 -14.077 15 2HB GLU 2 HB1 GLU 2 -6.743 -9.734 -12.949 16 1HG GLU 2 HG2 GLU 2 -7.037 -12.055 -12.114 17 2HG GLU 2 HG1 GLU 2 -8.540 -11.151 -12.220 18 H GLY 3 HN GLY 3 -8.924 -7.728 -13.831 19 1HA GLY 3 HA2 GLY 3 -6.883 -5.901 -14.213 20 2HA GLY 3 HA1 GLY 3 -7.754 -5.947 -15.743 21 H PHE 4 HN PHE 4 -7.828 -3.618 -14.843 22 HA PHE 4 HA PHE 4 -9.876 -3.034 -12.879 23 1HB PHE 4 HB2 PHE 4 -7.987 -1.480 -14.564 24 2HB PHE 4 HB1 PHE 4 -9.454 -0.655 -14.067 25 HD1 PHE 4 HD1 PHE 4 -10.058 -0.907 -11.507 26 HD2 PHE 4 HD2 PHE 4 -6.146 -1.355 -13.161 27 HE1 PHE 4 HE1 PHE 4 -9.072 -0.406 -9.310 28 HE2 PHE 4 HE2 PHE 4 -5.156 -0.840 -10.960 29 HZ PHE 4 HZ PHE 4 -6.624 -0.359 -9.035 30 H LEU 5 HN LEU 5 -11.814 -2.015 -13.237 31 HA LEU 5 HA LEU 5 -12.893 -1.664 -15.927 32 1HB LEU 5 HB2 LEU 5 -13.724 -3.853 -14.065 33 2HB LEU 5 HB1 LEU 5 -15.002 -2.985 -14.901 34 HG LEU 5 HG LEU 5 -12.687 -4.370 -16.253 35 1HD1 LEU 5 HD13 LEU 5 -15.478 -5.212 -15.585 36 2HD1 LEU 5 HD12 LEU 5 -14.713 -5.815 -17.052 37 3HD1 LEU 5 HD11 LEU 5 -13.973 -6.129 -15.484 38 1HD2 LEU 5 HD22 LEU 5 -15.043 -2.818 -17.278 39 2HD2 LEU 5 HD21 LEU 5 -13.339 -2.674 -17.726 40 3HD2 LEU 5 HD23 LEU 5 -14.283 -4.067 -18.259 41 H ASN 6 HN ASN 6 -14.607 -0.164 -15.927 42 HA ASN 6 HA ASN 6 -14.960 1.371 -13.444 43 1HB ASN 6 HB2 ASN 6 -16.119 1.873 -16.185 44 2HB ASN 6 HB1 ASN 6 -16.216 2.954 -14.815 45 1HD2 ASN 6 HD22 ASN 6 -13.343 3.859 -17.122 46 2HD2 ASN 6 HD21 ASN 6 -15.001 3.441 -17.430 47 H ARG 7 HN ARG 7 -16.589 0.956 -12.066 48 HA ARG 7 HA ARG 7 -18.875 -0.642 -13.076 49 1HB ARG 7 HB2 ARG 7 -17.321 -1.804 -11.502 50 2HB ARG 7 HB1 ARG 7 -17.756 -0.624 -10.268 51 1HG ARG 7 HG2 ARG 7 -20.037 -1.357 -10.253 52 2HG ARG 7 HG1 ARG 7 -19.804 -2.318 -11.711 53 1HD ARG 7 HD2 ARG 7 -19.743 -3.949 -10.049 54 2HD ARG 7 HD1 ARG 7 -18.031 -3.598 -10.275 55 HE ARG 7 HE ARG 7 -18.266 -2.073 -8.277 56 1HH1 ARG 7 HH21 ARG 7 -20.852 -1.950 -7.270 57 2HH1 ARG 7 HH22 ARG 7 -21.092 -3.362 -6.273 58 1HH2 ARG 7 HH11 ARG 7 -18.397 -5.144 -7.662 59 2HH2 ARG 7 HH12 ARG 7 -19.660 -5.172 -6.462 60 H LYS 8 HN LYS 8 -20.816 0.135 -12.873 61 HA LYS 8 HA LYS 8 -21.462 2.204 -10.871 62 1HB LYS 8 HB2 LYS 8 -21.097 3.342 -13.031 63 2HB LYS 8 HB1 LYS 8 -22.243 2.269 -13.804 64 1HG LYS 8 HG2 LYS 8 -23.602 3.378 -11.592 65 2HG LYS 8 HG1 LYS 8 -22.712 4.708 -12.317 66 1HD LYS 8 HD2 LYS 8 -24.425 4.889 -13.763 67 2HD LYS 8 HD1 LYS 8 -23.791 3.438 -14.524 68 1HE LYS 8 HE2 LYS 8 -26.102 3.050 -14.134 69 2HE LYS 8 HE1 LYS 8 -25.226 2.085 -12.948 70 1HZ LYS 8 HZ3 LYS 8 -25.708 4.604 -11.824 71 2HZ LYS 8 HZ2 LYS 8 -27.173 4.059 -12.509 72 3HZ LYS 8 HZ1 LYS 8 -26.354 3.104 -11.358 73 H HIS 9 HN HIS 9 -22.956 1.244 -9.636 74 HA HIS 9 HA HIS 9 -24.499 -0.983 -10.613 75 1HB HIS 9 HB2 HIS 9 -25.501 -0.954 -8.296 76 2HB HIS 9 HB1 HIS 9 -23.773 -1.224 -8.393 77 HD1 HIS 9 HD1 HIS 9 -24.153 -0.497 -5.791 78 HD2 HIS 9 HD2 HIS 9 -24.322 2.529 -8.612 79 HE1 HIS 9 HE1 HIS 9 -23.814 1.621 -4.498 80 H GLU 10 HN GLU 10 -26.566 -1.104 -11.129 81 HA GLU 10 HA GLU 10 -28.099 1.407 -11.419 82 1HB GLU 10 HB2 GLU 10 -28.015 -1.200 -12.894 83 2HB GLU 10 HB1 GLU 10 -29.553 -0.348 -12.829 84 1HG GLU 10 HG2 GLU 10 -27.006 1.019 -13.684 85 2HG GLU 10 HG1 GLU 10 -28.025 0.145 -14.825 86 H TRP 11 HN TRP 11 -28.558 -2.011 -10.623 87 HA TRP 11 HA TRP 11 -30.438 -1.303 -8.475 88 1HB TRP 11 HB2 TRP 11 -31.826 -1.769 -10.426 89 2HB TRP 11 HB1 TRP 11 -30.958 -3.266 -10.727 90 HD1 TRP 11 HD1 TRP 11 -33.282 -1.753 -7.967 91 HE1 TRP 11 HE1 TRP 11 -34.612 -3.688 -6.961 92 HE3 TRP 11 HE3 TRP 11 -31.181 -5.688 -10.479 93 HZ2 TRP 11 HZ2 TRP 11 -34.781 -6.480 -7.164 94 HZ3 TRP 11 HZ3 TRP 11 -31.980 -7.969 -10.026 95 HH2 TRP 11 HH2 TRP 11 -33.763 -8.367 -8.382 96 H GLU 12 HN GLU 12 -29.740 -2.254 -6.702 97 HA GLU 12 HA GLU 12 -28.734 -4.994 -6.708 98 1HB GLU 12 HB2 GLU 12 -26.761 -4.339 -5.297 99 2HB GLU 12 HB1 GLU 12 -26.655 -3.808 -6.970 100 1HG GLU 12 HG2 GLU 12 -26.893 -1.575 -6.432 101 2HG GLU 12 HG1 GLU 12 -27.802 -1.910 -4.960 102 H ALA 13 HN ALA 13 -31.145 -3.920 -5.875 103 HA ALA 13 HA ALA 13 -31.074 -4.488 -2.991 104 1HB ALA 13 HB2 ALA 13 -31.059 -2.000 -3.299 105 2HB ALA 13 HB1 ALA 13 -32.583 -2.135 -4.181 106 3HB ALA 13 HB3 ALA 13 -32.499 -2.594 -2.476 107 H HIS 14 HN HIS 14 -34.034 -3.449 -3.292 108 HA HIS 14 HA HIS 14 -35.083 -6.006 -4.356 109 1HB HIS 14 HB2 HIS 14 -35.405 -5.251 -1.863 110 2HB HIS 14 HB1 HIS 14 -36.656 -4.211 -2.530 111 HD1 HIS 14 HD1 HIS 14 -38.792 -5.316 -3.341 112 HD2 HIS 14 HD2 HIS 14 -35.989 -8.059 -2.017 113 HE1 HIS 14 HE1 HIS 14 -40.031 -7.484 -3.196 114 H ASN 15 HN ASN 15 -35.866 -2.510 -4.141 115 HA ASN 15 HA ASN 15 -37.245 -2.733 -6.764 116 1HB ASN 15 HB2 ASN 15 -38.313 -1.494 -4.219 117 2HB ASN 15 HB1 ASN 15 -38.953 -1.081 -5.807 118 1HD2 ASN 15 HD22 ASN 15 -40.535 -4.236 -6.321 119 2HD2 ASN 15 HD21 ASN 15 -39.783 -2.883 -7.123 120 H LYS 16 HN LYS 16 -35.752 -0.587 -4.349 121 HA LYS 16 HA LYS 16 -35.690 1.688 -6.121 122 1HB LYS 16 HB2 LYS 16 -34.670 1.104 -3.367 123 2HB LYS 16 HB1 LYS 16 -34.068 2.517 -4.228 124 1HG LYS 16 HG2 LYS 16 -35.870 3.451 -3.146 125 2HG LYS 16 HG1 LYS 16 -36.635 2.970 -4.657 126 1HD LYS 16 HD2 LYS 16 -37.249 0.781 -3.459 127 2HD LYS 16 HD1 LYS 16 -36.764 1.588 -1.971 128 1HE LYS 16 HE2 LYS 16 -39.095 1.921 -2.099 129 2HE LYS 16 HE1 LYS 16 -38.401 3.448 -2.634 130 1HZ LYS 16 HZ3 LYS 16 -38.625 2.130 -4.953 131 2HZ LYS 16 HZ2 LYS 16 -39.964 1.504 -4.106 132 3HZ LYS 16 HZ1 LYS 16 -39.805 3.190 -4.332 133 H LYS 17 HN LYS 17 -33.856 2.713 -6.973 134 HA LYS 17 HA LYS 17 -31.824 0.881 -7.995 135 1HB LYS 17 HB2 LYS 17 -32.279 3.831 -8.513 136 2HB LYS 17 HB1 LYS 17 -31.163 2.794 -9.394 137 1HG LYS 17 HG2 LYS 17 -33.759 1.574 -9.409 138 2HG LYS 17 HG1 LYS 17 -33.910 3.248 -9.931 139 1HD LYS 17 HD2 LYS 17 -31.972 1.232 -11.092 140 2HD LYS 17 HD1 LYS 17 -33.508 1.693 -11.818 141 1HE LYS 17 HE2 LYS 17 -32.480 4.135 -11.598 142 2HE LYS 17 HE1 LYS 17 -30.959 3.247 -11.601 143 1HZ LYS 17 HZ2 LYS 17 -32.971 2.646 -13.658 144 2HZ LYS 17 HZ1 LYS 17 -32.014 4.048 -13.821 145 3HZ LYS 17 HZ3 LYS 17 -31.274 2.515 -13.736 146 H ALA 18 HN ALA 18 -29.539 1.850 -8.150 147 HA ALA 18 HA ALA 18 -28.701 2.949 -5.520 148 1HB ALA 18 HB3 ALA 18 -28.054 0.584 -5.831 149 2HB ALA 18 HB2 ALA 18 -27.211 1.017 -7.318 150 3HB ALA 18 HB1 ALA 18 -26.644 1.641 -5.768 151 H SER 19 HN SER 19 -27.243 4.612 -5.527 152 HA SER 19 HA SER 19 -25.877 5.449 -7.965 153 1HB SER 19 HB2 SER 19 -27.890 7.282 -6.636 154 2HB SER 19 HB1 SER 19 -26.854 7.680 -8.004 155 HG SER 19 HG SER 19 -28.200 5.437 -8.572 156 H SER 20 HN SER 20 -25.020 4.510 -5.393 157 HA SER 20 HA SER 20 -23.940 6.864 -4.000 158 1HB SER 20 HB2 SER 20 -22.944 4.561 -2.777 159 2HB SER 20 HB1 SER 20 -24.285 5.548 -2.223 160 HG SER 20 HG SER 20 -25.025 3.455 -2.401 161 H ARG 21 HN ARG 21 -22.747 3.779 -5.316 162 HA ARG 21 HA ARG 21 -20.075 4.973 -5.748 163 1HB ARG 21 HB2 ARG 21 -20.983 2.078 -5.768 164 2HB ARG 21 HB1 ARG 21 -19.337 2.622 -6.084 165 1HG ARG 21 HG2 ARG 21 -20.611 3.536 -3.546 166 2HG ARG 21 HG1 ARG 21 -20.146 1.844 -3.653 167 1HD ARG 21 HD2 ARG 21 -18.277 2.966 -2.706 168 2HD ARG 21 HD1 ARG 21 -17.845 2.646 -4.385 169 HE ARG 21 HE ARG 21 -17.928 4.952 -4.838 170 1HH1 ARG 21 HH11 ARG 21 -20.140 6.325 -3.910 171 2HH1 ARG 21 HH12 ARG 21 -19.711 7.068 -2.394 172 1HH2 ARG 21 HH21 ARG 21 -16.906 4.992 -1.886 173 2HH2 ARG 21 HH22 ARG 21 -17.850 6.314 -1.239 174 H SER 22 HN SER 22 -21.554 6.135 -7.441 175 HA SER 22 HA SER 22 -22.157 4.699 -9.866 176 1HB SER 22 HB2 SER 22 -21.963 7.684 -9.632 177 2HB SER 22 HB1 SER 22 -23.008 6.727 -10.671 178 HG SER 22 HG SER 22 -23.950 7.740 -8.659 179 H TRP 23 HN TRP 23 -20.631 4.047 -11.146 180 HA TRP 23 HA TRP 23 -18.799 3.862 -12.445 181 1HB TRP 23 HB2 TRP 23 -19.244 6.841 -12.533 182 2HB TRP 23 HB1 TRP 23 -17.923 6.084 -13.415 183 HD1 TRP 23 HD1 TRP 23 -21.304 7.197 -14.122 184 HE1 TRP 23 HE1 TRP 23 -22.352 5.871 -16.048 185 HE3 TRP 23 HE3 TRP 23 -18.063 3.256 -14.337 186 HZ2 TRP 23 HZ2 TRP 23 -21.894 3.463 -17.470 187 HZ3 TRP 23 HZ3 TRP 23 -18.401 1.488 -15.969 188 HH2 TRP 23 HH2 TRP 23 -20.304 1.569 -17.539 189 H HIS 24 HN HIS 24 -17.707 2.999 -10.584 190 HA HIS 24 HA HIS 24 -15.441 4.686 -9.681 191 1HB HIS 24 HB2 HIS 24 -16.989 4.030 -7.850 192 2HB HIS 24 HB1 HIS 24 -16.739 2.337 -8.259 193 HD1 HIS 24 HD1 HIS 24 -14.703 5.313 -7.074 194 HD2 HIS 24 HD2 HIS 24 -14.637 1.176 -6.945 195 HE1 HIS 24 HE1 HIS 24 -12.750 4.739 -5.610 196 H ASN 25 HN ASN 25 -13.450 3.947 -10.209 197 HA ASN 25 HA ASN 25 -13.142 1.701 -11.957 198 1HB ASN 25 HB2 ASN 25 -10.638 2.279 -11.626 199 2HB ASN 25 HB1 ASN 25 -11.677 3.441 -12.436 200 1HD2 ASN 25 HD22 ASN 25 -9.967 4.377 -8.851 201 2HD2 ASN 25 HD21 ASN 25 -9.907 2.764 -9.495 202 H VAL 26 HN VAL 26 -13.678 -0.171 -10.955 203 HA VAL 26 HA VAL 26 -12.214 -0.952 -8.508 204 HB VAL 26 HB VAL 26 -14.764 -0.918 -8.594 205 1HG1 VAL 26 HG13 VAL 26 -14.823 -2.056 -10.873 206 2HG1 VAL 26 HG12 VAL 26 -14.475 -3.555 -10.011 207 3HG1 VAL 26 HG11 VAL 26 -15.947 -2.651 -9.656 208 1HG2 VAL 26 HG22 VAL 26 -13.265 -2.159 -6.943 209 2HG2 VAL 26 HG21 VAL 26 -14.944 -2.678 -7.071 210 3HG2 VAL 26 HG23 VAL 26 -13.669 -3.612 -7.854 211 H TYR 27 HN TYR 27 -11.300 -3.022 -8.392 212 HA TYR 27 HA TYR 27 -10.278 -4.029 -10.959 213 1HB TYR 27 HB2 TYR 27 -8.873 -3.413 -8.847 214 2HB TYR 27 HB1 TYR 27 -9.387 -4.977 -8.252 215 HD1 TYR 27 HD2 TYR 27 -8.818 -7.052 -9.614 216 HD2 TYR 27 HD1 TYR 27 -7.131 -3.213 -10.413 217 HE1 TYR 27 HE2 TYR 27 -6.995 -8.113 -10.891 218 HE2 TYR 27 HE1 TYR 27 -5.311 -4.275 -11.679 219 HH TYR 27 HH TYR 27 -4.510 -7.426 -11.445 220 H CYS 28 HN CYS 28 -11.288 -5.692 -11.866 221 HA CYS 28 HA CYS 28 -12.916 -7.518 -10.200 222 1HB CYS 28 HB2 CYS 28 -13.043 -7.008 -13.180 223 2HB CYS 28 HB1 CYS 28 -14.140 -8.018 -12.248 224 HG CYS 28 HG CYS 28 -13.985 -4.978 -11.622 225 H VAL 29 HN VAL 29 -12.499 -9.628 -10.117 226 HA VAL 29 HA VAL 29 -10.542 -10.854 -11.967 227 HB VAL 29 HB VAL 29 -10.605 -11.123 -8.950 228 1HG1 VAL 29 HG13 VAL 29 -9.347 -12.788 -11.040 229 2HG1 VAL 29 HG12 VAL 29 -8.340 -12.399 -9.648 230 3HG1 VAL 29 HG11 VAL 29 -9.887 -13.218 -9.423 231 1HG2 VAL 29 HG22 VAL 29 -8.922 -9.552 -10.803 232 2HG2 VAL 29 HG21 VAL 29 -9.377 -9.238 -9.130 233 3HG2 VAL 29 HG23 VAL 29 -8.084 -10.385 -9.493 234 H ILE 30 HN ILE 30 -11.137 -12.871 -12.631 235 HA ILE 30 HA ILE 30 -13.640 -14.018 -11.508 236 HB ILE 30 HB ILE 30 -12.474 -14.737 -14.188 237 1HG1 ILE 30 HG12 ILE 30 -14.211 -12.349 -13.529 238 2HG1 ILE 30 HG11 ILE 30 -12.635 -12.339 -14.313 239 1HG2 ILE 30 HG21 ILE 30 -14.420 -15.965 -12.978 240 2HG2 ILE 30 HG23 ILE 30 -15.382 -14.563 -13.455 241 3HG2 ILE 30 HG22 ILE 30 -14.596 -15.555 -14.684 242 1HD1 ILE 30 HD12 ILE 30 -13.858 -13.859 -16.094 243 2HD1 ILE 30 HD11 ILE 30 -15.306 -13.092 -15.437 244 3HD1 ILE 30 HD13 ILE 30 -14.028 -12.103 -16.146 245 H ASN 31 HN ASN 31 -13.469 -15.912 -10.443 246 HA ASN 31 HA ASN 31 -11.061 -17.577 -10.904 247 1HB ASN 31 HB2 ASN 31 -11.008 -16.209 -8.751 248 2HB ASN 31 HB1 ASN 31 -12.344 -17.210 -8.187 249 1HD2 ASN 31 HD22 ASN 31 -10.083 -19.603 -7.016 250 2HD2 ASN 31 HD21 ASN 31 -11.523 -18.657 -6.774 251 H ASN 32 HN ASN 32 -12.997 -18.299 -12.396 252 HA ASN 32 HA ASN 32 -14.238 -20.104 -13.026 253 1HB ASN 32 HB2 ASN 32 -12.432 -21.241 -11.476 254 2HB ASN 32 HB1 ASN 32 -13.807 -21.510 -10.411 255 1HD2 ASN 32 HD22 ASN 32 -13.272 -23.907 -13.558 256 2HD2 ASN 32 HD21 ASN 32 -12.076 -22.824 -12.908 257 H GLN 33 HN GLN 33 -16.288 -19.521 -13.203 258 HA GLN 33 HA GLN 33 -18.514 -19.377 -12.798 259 1HB GLN 33 HB2 GLN 33 -17.657 -21.465 -11.137 260 2HB GLN 33 HB1 GLN 33 -18.699 -20.471 -10.130 261 1HG GLN 33 HG2 GLN 33 -20.283 -21.829 -11.083 262 2HG GLN 33 HG1 GLN 33 -20.262 -20.537 -12.280 263 1HE2 GLN 33 HE22 GLN 33 -18.176 -22.551 -14.547 264 2HE2 GLN 33 HE21 GLN 33 -18.114 -20.994 -13.800 265 H GLU 34 HN GLU 34 -16.431 -18.224 -10.193 266 HA GLU 34 HA GLU 34 -18.430 -16.130 -9.571 267 1HB GLU 34 HB2 GLU 34 -16.430 -17.342 -7.648 268 2HB GLU 34 HB1 GLU 34 -17.684 -16.165 -7.261 269 1HG GLU 34 HG2 GLU 34 -19.263 -18.059 -8.278 270 2HG GLU 34 HG1 GLU 34 -17.916 -19.099 -7.816 271 H MET 35 HN MET 35 -17.500 -14.143 -8.732 272 HA MET 35 HA MET 35 -14.749 -13.598 -9.654 273 1HB MET 35 HB2 MET 35 -15.499 -11.418 -10.531 274 2HB MET 35 HB1 MET 35 -16.248 -12.763 -11.384 275 1HG MET 35 HG2 MET 35 -18.286 -12.478 -9.989 276 2HG MET 35 HG1 MET 35 -17.538 -11.088 -9.214 277 1HE MET 35 HE3 MET 35 -16.751 -9.093 -10.295 278 2HE MET 35 HE2 MET 35 -16.255 -9.335 -11.972 279 3HE MET 35 HE1 MET 35 -17.627 -8.289 -11.607 280 H GLY 36 HN GLY 36 -13.712 -11.867 -8.603 281 1HA GLY 36 HA2 GLY 36 -14.840 -11.143 -5.951 282 2HA GLY 36 HA1 GLY 36 -13.139 -11.507 -6.224 283 H PHE 37 HN PHE 37 -14.739 -9.042 -5.346 284 HA PHE 37 HA PHE 37 -13.776 -7.071 -7.331 285 1HB PHE 37 HB2 PHE 37 -15.800 -6.927 -5.097 286 2HB PHE 37 HB1 PHE 37 -15.172 -5.485 -5.888 287 HD1 PHE 37 HD1 PHE 37 -15.352 -5.412 -8.478 288 HD2 PHE 37 HD2 PHE 37 -17.662 -8.014 -5.998 289 HE1 PHE 37 HE1 PHE 37 -17.007 -5.668 -10.285 290 HE2 PHE 37 HE2 PHE 37 -19.322 -8.263 -7.804 291 HZ PHE 37 HZ PHE 37 -18.996 -7.088 -9.948 292 H TYR 38 HN TYR 38 -11.881 -6.156 -6.938 293 HA TYR 38 HA TYR 38 -10.980 -5.762 -4.132 294 1HB TYR 38 HB2 TYR 38 -9.222 -6.403 -6.515 295 2HB TYR 38 HB1 TYR 38 -8.713 -6.230 -4.843 296 HD1 TYR 38 HD2 TYR 38 -10.432 -8.407 -7.250 297 HD2 TYR 38 HD1 TYR 38 -9.094 -7.983 -3.225 298 HE1 TYR 38 HE2 TYR 38 -10.793 -10.813 -6.868 299 HE2 TYR 38 HE1 TYR 38 -9.464 -10.386 -2.843 300 HH TYR 38 HH TYR 38 -9.729 -12.588 -5.200 301 H LYS 39 HN LYS 39 -9.368 -3.988 -3.910 302 HA LYS 39 HA LYS 39 -10.320 -1.612 -5.182 303 1HB LYS 39 HB2 LYS 39 -9.321 -1.844 -2.826 304 2HB LYS 39 HB1 LYS 39 -7.750 -1.783 -3.613 305 1HG LYS 39 HG2 LYS 39 -8.281 0.385 -4.557 306 2HG LYS 39 HG1 LYS 39 -9.911 0.318 -3.899 307 1HD LYS 39 HD2 LYS 39 -9.169 0.638 -1.703 308 2HD LYS 39 HD1 LYS 39 -7.533 0.102 -2.074 309 1HE LYS 39 HE2 LYS 39 -7.577 2.524 -1.731 310 2HE LYS 39 HE1 LYS 39 -7.159 2.147 -3.398 311 1HZ LYS 39 HZ2 LYS 39 -9.890 2.867 -2.478 312 2HZ LYS 39 HZ1 LYS 39 -8.778 3.968 -3.148 313 3HZ LYS 39 HZ3 LYS 39 -9.371 2.676 -4.090 314 H ASP 40 HN ASP 40 -7.237 -3.411 -5.445 315 HA ASP 40 HA ASP 40 -6.899 -2.465 -8.178 316 1HB ASP 40 HB2 ASP 40 -4.845 -1.353 -7.927 317 2HB ASP 40 HB1 ASP 40 -5.811 -0.749 -6.586 318 H ALA 41 HN ALA 41 -4.319 -3.224 -8.628 319 HA ALA 41 HA ALA 41 -4.504 -6.036 -8.967 320 1HB ALA 41 HB2 ALA 41 -2.357 -3.983 -9.408 321 2HB ALA 41 HB1 ALA 41 -1.967 -5.699 -9.539 322 3HB ALA 41 HB3 ALA 41 -3.201 -4.994 -10.584 323 H LYS 42 HN LYS 42 -2.833 -4.021 -6.577 324 HA LYS 42 HA LYS 42 -1.354 -6.153 -5.355 325 1HB LYS 42 HB2 LYS 42 -2.167 -3.442 -4.286 326 2HB LYS 42 HB1 LYS 42 -1.035 -4.539 -3.494 327 1HG LYS 42 HG2 LYS 42 0.517 -4.375 -5.313 328 2HG LYS 42 HG1 LYS 42 -0.655 -3.536 -6.324 329 1HD LYS 42 HD2 LYS 42 -0.546 -1.573 -4.963 330 2HD LYS 42 HD1 LYS 42 0.384 -2.411 -3.724 331 1HE LYS 42 HE2 LYS 42 1.837 -0.972 -5.055 332 2HE LYS 42 HE1 LYS 42 2.261 -2.661 -5.289 333 1HZ LYS 42 HZ1 LYS 42 0.414 -1.294 -7.146 334 2HZ LYS 42 HZ3 LYS 42 2.103 -1.154 -7.327 335 3HZ LYS 42 HZ2 LYS 42 1.364 -2.687 -7.406 336 H SER 43 HN SER 43 -4.503 -4.647 -4.750 337 HA SER 43 HA SER 43 -5.161 -6.078 -2.380 338 1HB SER 43 HB2 SER 43 -6.990 -4.913 -4.489 339 2HB SER 43 HB1 SER 43 -7.470 -5.425 -2.875 340 HG SER 43 HG SER 43 -5.355 -3.697 -2.794 341 H ALA 44 HN ALA 44 -5.640 -6.736 -5.818 342 HA ALA 44 HA ALA 44 -7.199 -9.094 -5.510 343 1HB ALA 44 HB3 ALA 44 -7.113 -7.688 -7.582 344 2HB ALA 44 HB2 ALA 44 -5.487 -8.307 -7.877 345 3HB ALA 44 HB1 ALA 44 -6.865 -9.410 -7.875 346 H ALA 45 HN ALA 45 -3.740 -8.460 -5.824 347 HA ALA 45 HA ALA 45 -2.940 -11.209 -6.090 348 1HB ALA 45 HB3 ALA 45 -1.573 -9.351 -6.946 349 2HB ALA 45 HB2 ALA 45 -1.314 -8.778 -5.299 350 3HB ALA 45 HB1 ALA 45 -0.670 -10.343 -5.803 351 H SER 46 HN SER 46 -2.620 -8.848 -3.418 352 HA SER 46 HA SER 46 -1.727 -10.801 -1.518 353 1HB SER 46 HB2 SER 46 -2.776 -7.997 -1.083 354 2HB SER 46 HB1 SER 46 -1.941 -8.980 0.117 355 HG SER 46 HG SER 46 -0.085 -8.928 -1.125 356 H GLY 47 HN GLY 47 -4.858 -9.933 -2.623 357 1HA GLY 47 HA2 GLY 47 -6.915 -10.866 -2.134 358 2HA GLY 47 HA1 GLY 47 -6.141 -11.854 -0.902 359 H ILE 48 HN ILE 48 -6.705 -8.384 -1.458 360 HA ILE 48 HA ILE 48 -7.465 -8.037 1.377 361 HB ILE 48 HB ILE 48 -6.817 -5.918 -0.683 362 1HG1 ILE 48 HG12 ILE 48 -5.046 -7.141 1.448 363 2HG1 ILE 48 HG11 ILE 48 -4.854 -7.348 -0.289 364 1HG2 ILE 48 HG21 ILE 48 -7.129 -5.810 2.322 365 2HG2 ILE 48 HG23 ILE 48 -6.482 -4.493 1.341 366 3HG2 ILE 48 HG22 ILE 48 -8.148 -5.025 1.111 367 1HD1 ILE 48 HD13 ILE 48 -4.524 -4.895 -0.504 368 2HD1 ILE 48 HD12 ILE 48 -4.592 -4.765 1.254 369 3HD1 ILE 48 HD11 ILE 48 -3.287 -5.672 0.488 370 HA PRO 49 HA PRO 49 -11.670 -7.977 -0.192 371 1HB PRO 49 HB2 PRO 49 -12.915 -7.331 2.146 372 2HB PRO 49 HB1 PRO 49 -12.339 -8.954 1.740 373 1HG PRO 49 HG2 PRO 49 -11.077 -6.860 3.460 374 2HG PRO 49 HG1 PRO 49 -11.180 -8.611 3.710 375 1HD PRO 49 HD2 PRO 49 -8.946 -7.374 2.792 376 2HD PRO 49 HD1 PRO 49 -9.373 -9.040 2.354 377 H TYR 50 HN TYR 50 -13.124 -6.523 -0.927 378 HA TYR 50 HA TYR 50 -12.906 -3.668 -0.189 379 1HB TYR 50 HB2 TYR 50 -11.759 -4.390 -2.415 380 2HB TYR 50 HB1 TYR 50 -13.396 -4.572 -3.024 381 HD1 TYR 50 HD1 TYR 50 -11.314 -2.068 -1.173 382 HD2 TYR 50 HD2 TYR 50 -14.364 -2.771 -4.080 383 HE1 TYR 50 HE1 TYR 50 -11.407 0.346 -1.662 384 HE2 TYR 50 HE2 TYR 50 -14.452 -0.361 -4.558 385 HH TYR 50 HH TYR 50 -12.870 1.985 -2.593 386 H HIS 51 HN HIS 51 -14.870 -2.609 -0.108 387 HA HIS 51 HA HIS 51 -17.133 -2.311 0.109 388 1HB HIS 51 HB2 HIS 51 -16.972 -4.141 -2.262 389 2HB HIS 51 HB1 HIS 51 -18.544 -3.881 -1.534 390 HD1 HIS 51 HD1 HIS 51 -19.435 -2.573 -3.534 391 HD2 HIS 51 HD2 HIS 51 -16.055 -0.863 -1.874 392 HE1 HIS 51 HE1 HIS 51 -19.283 -0.305 -4.580 393 H SER 52 HN SER 52 -19.315 -3.930 0.209 394 HA SER 52 HA SER 52 -18.834 -5.474 2.622 395 1HB SER 52 HB2 SER 52 -21.378 -4.981 1.052 396 2HB SER 52 HB1 SER 52 -21.286 -5.766 2.627 397 HG SER 52 HG SER 52 -20.591 -3.863 3.548 398 H GLU 53 HN GLU 53 -20.298 -6.189 -0.566 399 HA GLU 53 HA GLU 53 -19.872 -9.077 -0.152 400 1HB GLU 53 HB2 GLU 53 -22.066 -8.146 -0.995 401 2HB GLU 53 HB1 GLU 53 -21.229 -7.678 -2.468 402 1HG GLU 53 HG2 GLU 53 -21.935 -9.726 -3.179 403 2HG GLU 53 HG1 GLU 53 -20.482 -10.275 -2.350 404 H VAL 54 HN VAL 54 -17.684 -9.355 -0.440 405 HA VAL 54 HA VAL 54 -16.283 -8.202 -2.699 406 HB VAL 54 HB VAL 54 -15.074 -10.370 -1.021 407 1HG1 VAL 54 HG13 VAL 54 -13.906 -9.224 -2.953 408 2HG1 VAL 54 HG12 VAL 54 -13.902 -7.763 -1.964 409 3HG1 VAL 54 HG11 VAL 54 -13.052 -9.207 -1.410 410 1HG2 VAL 54 HG23 VAL 54 -15.934 -7.677 -0.052 411 2HG2 VAL 54 HG22 VAL 54 -15.871 -9.222 0.806 412 3HG2 VAL 54 HG21 VAL 54 -14.386 -8.321 0.492 413 HA PRO 55 HA PRO 55 -16.429 -12.661 -4.362 414 1HB PRO 55 HB2 PRO 55 -17.511 -14.667 -2.880 415 2HB PRO 55 HB1 PRO 55 -15.837 -14.124 -2.706 416 1HG PRO 55 HG2 PRO 55 -18.085 -13.801 -0.873 417 2HG PRO 55 HG1 PRO 55 -16.358 -13.572 -0.576 418 1HD PRO 55 HD2 PRO 55 -18.397 -11.572 -1.111 419 2HD PRO 55 HD1 PRO 55 -16.722 -11.343 -0.589 420 H VAL 56 HN VAL 56 -17.878 -12.500 -5.998 421 HA VAL 56 HA VAL 56 -20.761 -12.862 -5.396 422 HB VAL 56 HB VAL 56 -19.604 -11.157 -7.607 423 1HG1 VAL 56 HG12 VAL 56 -22.399 -11.641 -6.584 424 2HG1 VAL 56 HG11 VAL 56 -21.978 -10.236 -7.563 425 3HG1 VAL 56 HG13 VAL 56 -21.777 -11.859 -8.220 426 1HG2 VAL 56 HG23 VAL 56 -20.479 -10.451 -4.824 427 2HG2 VAL 56 HG22 VAL 56 -19.016 -9.965 -5.682 428 3HG2 VAL 56 HG21 VAL 56 -20.578 -9.274 -6.133 429 H SER 57 HN SER 57 -21.873 -14.276 -6.613 430 HA SER 57 HA SER 57 -20.459 -16.194 -8.222 431 1HB SER 57 HB2 SER 57 -23.409 -15.921 -7.747 432 2HB SER 57 HB1 SER 57 -22.533 -17.360 -8.215 433 HG SER 57 HG SER 57 -21.465 -17.309 -6.184 434 H LEU 58 HN LEU 58 -20.476 -16.427 -10.384 435 HA LEU 58 HA LEU 58 -22.095 -14.593 -12.055 436 1HB LEU 58 HB2 LEU 58 -19.526 -14.124 -11.720 437 2HB LEU 58 HB1 LEU 58 -19.327 -15.464 -12.841 438 HG LEU 58 HG LEU 58 -20.863 -14.244 -14.417 439 1HD1 LEU 58 HD12 LEU 58 -20.549 -12.127 -12.300 440 2HD1 LEU 58 HD11 LEU 58 -20.890 -11.712 -13.981 441 3HD1 LEU 58 HD13 LEU 58 -22.026 -12.707 -13.073 442 1HD2 LEU 58 HD23 LEU 58 -18.150 -13.299 -13.618 443 2HD2 LEU 58 HD22 LEU 58 -18.664 -14.140 -15.079 444 3HD2 LEU 58 HD21 LEU 58 -19.025 -12.427 -14.876 445 H LYS 59 HN LYS 59 -22.699 -17.305 -11.275 446 HA LYS 59 HA LYS 59 -22.022 -19.125 -13.403 447 1HB LYS 59 HB2 LYS 59 -22.449 -19.838 -11.074 448 2HB LYS 59 HB1 LYS 59 -24.129 -19.335 -11.232 449 1HG LYS 59 HG2 LYS 59 -24.696 -21.116 -12.552 450 2HG LYS 59 HG1 LYS 59 -23.098 -21.231 -13.280 451 1HD LYS 59 HD2 LYS 59 -23.962 -23.066 -11.584 452 2HD LYS 59 HD1 LYS 59 -22.271 -22.582 -11.607 453 1HE LYS 59 HE2 LYS 59 -22.498 -21.288 -9.651 454 2HE LYS 59 HE1 LYS 59 -24.252 -21.214 -9.788 455 1HZ LYS 59 HZ1 LYS 59 -23.172 -23.884 -9.539 456 2HZ LYS 59 HZ3 LYS 59 -22.905 -22.889 -8.179 457 3HZ LYS 59 HZ2 LYS 59 -24.494 -23.149 -8.744 458 H GLU 60 HN GLU 60 -22.731 -18.413 -15.351 459 HA GLU 60 HA GLU 60 -24.129 -18.172 -17.137 460 1HB GLU 60 HB2 GLU 60 -26.426 -18.866 -15.292 461 2HB GLU 60 HB1 GLU 60 -26.423 -18.902 -17.049 462 1HG GLU 60 HG2 GLU 60 -24.683 -20.683 -16.981 463 2HG GLU 60 HG1 GLU 60 -24.805 -20.694 -15.221 464 H ALA 61 HN ALA 61 -23.318 -15.891 -16.302 465 HA ALA 61 HA ALA 61 -25.491 -14.103 -15.521 466 1HB ALA 61 HB1 ALA 61 -23.075 -13.952 -14.680 467 2HB ALA 61 HB3 ALA 61 -22.680 -13.296 -16.271 468 3HB ALA 61 HB2 ALA 61 -23.827 -12.453 -15.225 469 H ILE 62 HN ILE 62 -26.442 -12.613 -16.826 470 HA ILE 62 HA ILE 62 -26.044 -12.899 -19.722 471 HB ILE 62 HB ILE 62 -28.132 -11.367 -18.153 472 1HG1 ILE 62 HG12 ILE 62 -28.400 -13.969 -19.678 473 2HG1 ILE 62 HG11 ILE 62 -28.242 -13.856 -17.930 474 1HG2 ILE 62 HG21 ILE 62 -27.629 -11.733 -21.089 475 2HG2 ILE 62 HG23 ILE 62 -29.282 -11.526 -20.497 476 3HG2 ILE 62 HG22 ILE 62 -28.073 -10.273 -20.198 477 1HD1 ILE 62 HD11 ILE 62 -30.327 -12.087 -18.604 478 2HD1 ILE 62 HD13 ILE 62 -30.604 -13.543 -19.560 479 3HD1 ILE 62 HD12 ILE 62 -30.470 -13.657 -17.806 480 H CYS 63 HN CYS 63 -25.185 -11.310 -20.962 481 HA CYS 63 HA CYS 63 -24.475 -8.741 -19.686 482 1HB CYS 63 HB2 CYS 63 -22.652 -10.723 -20.044 483 2HB CYS 63 HB1 CYS 63 -22.504 -9.872 -21.576 484 HG CYS 63 HG CYS 63 -21.794 -7.747 -20.304 485 H GLU 64 HN GLU 64 -25.314 -7.134 -20.808 486 HA GLU 64 HA GLU 64 -25.867 -7.448 -23.702 487 1HB GLU 64 HB2 GLU 64 -26.929 -5.301 -21.854 488 2HB GLU 64 HB1 GLU 64 -27.504 -5.720 -23.464 489 1HG GLU 64 HG2 GLU 64 -28.123 -7.996 -22.537 490 2HG GLU 64 HG1 GLU 64 -27.760 -7.360 -20.932 491 H VAL 65 HN VAL 65 -25.277 -5.743 -25.134 492 HA VAL 65 HA VAL 65 -22.902 -4.223 -24.246 493 HB VAL 65 HB VAL 65 -23.844 -4.585 -27.088 494 1HG1 VAL 65 HG13 VAL 65 -21.337 -3.681 -25.735 495 2HG1 VAL 65 HG12 VAL 65 -21.219 -4.476 -27.304 496 3HG1 VAL 65 HG11 VAL 65 -22.173 -3.002 -27.135 497 1HG2 VAL 65 HG23 VAL 65 -22.415 -6.535 -25.322 498 2HG2 VAL 65 HG22 VAL 65 -23.644 -6.827 -26.552 499 3HG2 VAL 65 HG21 VAL 65 -21.988 -6.449 -27.030 500 H ALA 66 HN ALA 66 -23.004 -2.101 -23.979 501 HA ALA 66 HA ALA 66 -25.315 -0.569 -25.046 502 1HB ALA 66 HB3 ALA 66 -23.700 -0.086 -22.524 503 2HB ALA 66 HB2 ALA 66 -25.028 0.921 -23.105 504 3HB ALA 66 HB1 ALA 66 -25.336 -0.740 -22.593 505 H LEU 67 HN LEU 67 -24.573 0.402 -26.837 506 HA LEU 67 HA LEU 67 -21.829 1.382 -27.026 507 1HB LEU 67 HB2 LEU 67 -22.864 0.198 -28.910 508 2HB LEU 67 HB1 LEU 67 -24.116 1.432 -29.011 509 HG LEU 67 HG LEU 67 -22.512 3.110 -29.644 510 1HD1 LEU 67 HD11 LEU 67 -20.521 1.055 -28.813 511 2HD1 LEU 67 HD13 LEU 67 -20.089 2.162 -30.115 512 3HD1 LEU 67 HD12 LEU 67 -20.535 2.794 -28.533 513 1HD2 LEU 67 HD22 LEU 67 -23.211 0.981 -31.232 514 2HD2 LEU 67 HD21 LEU 67 -22.426 2.458 -31.789 515 3HD2 LEU 67 HD23 LEU 67 -21.455 1.032 -31.417 516 H ASP 68 HN ASP 68 -25.120 2.775 -27.220 517 HA ASP 68 HA ASP 68 -24.040 5.481 -27.235 518 1HB ASP 68 HB2 ASP 68 -26.075 4.647 -28.568 519 2HB ASP 68 HB1 ASP 68 -26.966 4.770 -27.054 520 H TYR 69 HN TYR 69 -23.257 4.318 -24.900 521 HA TYR 69 HA TYR 69 -24.869 5.760 -22.875 522 1HB TYR 69 HB2 TYR 69 -24.712 3.087 -22.817 523 2HB TYR 69 HB1 TYR 69 -23.179 3.436 -22.038 524 HD1 TYR 69 HD1 TYR 69 -26.838 3.917 -21.854 525 HD2 TYR 69 HD2 TYR 69 -23.126 4.242 -19.767 526 HE1 TYR 69 HE1 TYR 69 -28.054 4.290 -19.750 527 HE2 TYR 69 HE2 TYR 69 -24.350 4.620 -17.659 528 HH TYR 69 HH TYR 69 -26.527 5.385 -16.893 529 H LYS 70 HN LYS 70 -23.695 7.601 -22.581 530 HA LYS 70 HA LYS 70 -22.014 8.984 -21.906 531 1HB LYS 70 HB2 LYS 70 -20.353 6.503 -21.411 532 2HB LYS 70 HB1 LYS 70 -19.982 8.134 -20.883 533 1HG LYS 70 HG2 LYS 70 -22.056 8.162 -19.532 534 2HG LYS 70 HG1 LYS 70 -22.377 6.505 -20.028 535 1HD LYS 70 HD2 LYS 70 -21.309 5.995 -18.112 536 2HD LYS 70 HD1 LYS 70 -19.885 6.198 -19.117 537 1HE LYS 70 HE2 LYS 70 -21.107 8.317 -17.336 538 2HE LYS 70 HE1 LYS 70 -19.640 7.404 -16.994 539 1HZ LYS 70 HZ1 LYS 70 -18.759 8.343 -19.142 540 2HZ LYS 70 HZ3 LYS 70 -20.079 9.424 -19.109 541 3HZ LYS 70 HZ2 LYS 70 -18.930 9.439 -17.849 542 H LYS 71 HN LYS 71 -21.269 6.487 -24.228 543 HA LYS 71 HA LYS 71 -20.156 6.468 -26.219 544 1HB LYS 71 HB2 LYS 71 -20.227 9.484 -25.954 545 2HB LYS 71 HB1 LYS 71 -19.787 8.593 -27.404 546 1HG LYS 71 HG2 LYS 71 -22.230 7.487 -26.700 547 2HG LYS 71 HG1 LYS 71 -22.433 9.191 -26.309 548 1HD LYS 71 HD2 LYS 71 -22.975 9.378 -28.500 549 2HD LYS 71 HD1 LYS 71 -21.233 9.404 -28.729 550 1HE LYS 71 HE2 LYS 71 -21.478 7.625 -30.074 551 2HE LYS 71 HE1 LYS 71 -21.877 6.681 -28.645 552 1HZ LYS 71 HZ2 LYS 71 -24.208 7.272 -28.962 553 2HZ LYS 71 HZ1 LYS 71 -23.802 8.126 -30.382 554 3HZ LYS 71 HZ3 LYS 71 -23.578 6.439 -30.317 555 H LYS 72 HN LYS 72 -18.505 5.505 -24.820 556 HA LYS 72 HA LYS 72 -15.914 6.727 -25.280 557 1HB LYS 72 HB2 LYS 72 -16.665 7.634 -23.038 558 2HB LYS 72 HB1 LYS 72 -16.707 5.980 -22.442 559 1HG LYS 72 HG2 LYS 72 -14.201 6.052 -23.475 560 2HG LYS 72 HG1 LYS 72 -14.392 7.740 -23.017 561 1HD LYS 72 HD2 LYS 72 -14.962 7.066 -20.727 562 2HD LYS 72 HD1 LYS 72 -14.825 5.369 -21.180 563 1HE LYS 72 HE2 LYS 72 -12.723 5.646 -20.331 564 2HE LYS 72 HE1 LYS 72 -12.402 6.190 -21.975 565 1HZ LYS 72 HZ2 LYS 72 -12.983 8.495 -21.098 566 2HZ LYS 72 HZ1 LYS 72 -12.790 7.822 -19.541 567 3HZ LYS 72 HZ3 LYS 72 -11.486 7.825 -20.631 568 H LYS 73 HN LYS 73 -15.561 4.993 -26.604 569 HA LYS 73 HA LYS 73 -14.855 2.956 -27.259 570 1HB LYS 73 HB2 LYS 73 -14.442 2.595 -24.290 571 2HB LYS 73 HB1 LYS 73 -14.064 1.338 -25.462 572 1HG LYS 73 HG2 LYS 73 -12.942 4.148 -25.565 573 2HG LYS 73 HG1 LYS 73 -12.112 2.772 -24.847 574 1HD LYS 73 HD2 LYS 73 -11.230 2.459 -26.898 575 2HD LYS 73 HD1 LYS 73 -12.798 1.780 -27.308 576 1HE LYS 73 HE2 LYS 73 -13.270 4.441 -27.700 577 2HE LYS 73 HE1 LYS 73 -11.570 4.333 -28.138 578 1HZ LYS 73 HZ1 LYS 73 -13.607 2.477 -29.241 579 2HZ LYS 73 HZ3 LYS 73 -13.239 3.972 -29.978 580 3HZ LYS 73 HZ2 LYS 73 -12.030 2.781 -29.813 581 H HIS 74 HN HIS 74 -16.234 1.601 -24.337 582 HA HIS 74 HA HIS 74 -18.785 0.977 -25.487 583 1HB HIS 74 HB2 HIS 74 -16.588 -0.841 -25.990 584 2HB HIS 74 HB1 HIS 74 -17.803 -1.635 -25.004 585 HD1 HIS 74 HD1 HIS 74 -17.007 -0.860 -28.397 586 HD2 HIS 74 HD2 HIS 74 -20.519 -1.425 -26.280 587 HE1 HIS 74 HE1 HIS 74 -18.747 -1.338 -30.139 588 H VAL 75 HN VAL 75 -20.226 0.259 -24.051 589 HA VAL 75 HA VAL 75 -19.369 -0.285 -21.268 590 HB VAL 75 HB VAL 75 -21.842 1.189 -22.233 591 1HG1 VAL 75 HG13 VAL 75 -20.984 0.247 -19.524 592 2HG1 VAL 75 HG12 VAL 75 -21.981 1.690 -19.688 593 3HG1 VAL 75 HG11 VAL 75 -22.564 0.142 -20.295 594 1HG2 VAL 75 HG21 VAL 75 -19.352 2.265 -22.024 595 2HG2 VAL 75 HG23 VAL 75 -20.853 3.165 -21.820 596 3HG2 VAL 75 HG22 VAL 75 -19.997 2.559 -20.407 597 H PHE 76 HN PHE 76 -20.683 -1.902 -20.190 598 HA PHE 76 HA PHE 76 -22.670 -3.277 -21.844 599 1HB PHE 76 HB2 PHE 76 -21.727 -5.489 -21.436 600 2HB PHE 76 HB1 PHE 76 -20.637 -4.483 -22.369 601 HD1 PHE 76 HD2 PHE 76 -21.203 -6.086 -19.108 602 HD2 PHE 76 HD1 PHE 76 -18.481 -3.858 -21.526 603 HE1 PHE 76 HE2 PHE 76 -19.370 -6.662 -17.566 604 HE2 PHE 76 HE1 PHE 76 -16.641 -4.431 -19.987 605 HZ PHE 76 HZ PHE 76 -17.083 -5.835 -18.005 606 H LYS 77 HN LYS 77 -24.295 -4.154 -20.777 607 HA LYS 77 HA LYS 77 -24.544 -3.565 -17.919 608 1HB LYS 77 HB2 LYS 77 -26.314 -2.927 -19.604 609 2HB LYS 77 HB1 LYS 77 -26.631 -4.641 -19.823 610 1HG LYS 77 HG2 LYS 77 -27.819 -4.790 -17.924 611 2HG LYS 77 HG1 LYS 77 -26.630 -3.868 -17.008 612 1HD LYS 77 HD2 LYS 77 -28.352 -2.373 -16.900 613 2HD LYS 77 HD1 LYS 77 -27.675 -1.854 -18.437 614 1HE LYS 77 HE2 LYS 77 -29.854 -3.932 -18.255 615 2HE LYS 77 HE1 LYS 77 -30.203 -2.211 -18.349 616 1HZ LYS 77 HZ3 LYS 77 -28.395 -2.736 -20.375 617 2HZ LYS 77 HZ2 LYS 77 -29.523 -4.011 -20.428 618 3HZ LYS 77 HZ1 LYS 77 -30.051 -2.393 -20.528 619 H LEU 78 HN LEU 78 -23.868 -5.080 -16.597 620 HA LEU 78 HA LEU 78 -23.968 -7.919 -17.376 621 1HB LEU 78 HB2 LEU 78 -21.810 -6.942 -16.673 622 2HB LEU 78 HB1 LEU 78 -22.503 -6.540 -15.116 623 HG LEU 78 HG LEU 78 -22.518 -8.698 -14.413 624 1HD1 LEU 78 HD11 LEU 78 -22.625 -9.530 -17.296 625 2HD1 LEU 78 HD13 LEU 78 -22.227 -10.674 -16.015 626 3HD1 LEU 78 HD12 LEU 78 -23.786 -9.861 -16.011 627 1HD2 LEU 78 HD23 LEU 78 -20.215 -7.964 -14.749 628 2HD2 LEU 78 HD22 LEU 78 -20.367 -9.710 -14.922 629 3HD2 LEU 78 HD21 LEU 78 -20.223 -8.693 -16.355 630 H ARG 79 HN ARG 79 -25.784 -8.883 -16.816 631 HA ARG 79 HA ARG 79 -27.162 -8.211 -14.288 632 1HB ARG 79 HB2 ARG 79 -28.586 -8.089 -16.245 633 2HB ARG 79 HB1 ARG 79 -28.082 -9.691 -16.768 634 1HG ARG 79 HG2 ARG 79 -29.072 -10.580 -14.605 635 2HG ARG 79 HG1 ARG 79 -29.750 -8.982 -14.341 636 1HD ARG 79 HD2 ARG 79 -30.274 -10.735 -16.762 637 2HD ARG 79 HD1 ARG 79 -31.362 -10.573 -15.389 638 HE ARG 79 HE ARG 79 -31.447 -8.922 -17.576 639 1HH1 ARG 79 HH11 ARG 79 -32.257 -8.754 -14.318 640 2HH1 ARG 79 HH12 ARG 79 -32.223 -7.010 -14.194 641 1HH2 ARG 79 HH21 ARG 79 -30.743 -6.539 -17.355 642 2HH2 ARG 79 HH22 ARG 79 -31.363 -5.750 -15.924 643 H LEU 80 HN LEU 80 -26.348 -9.412 -12.688 644 HA LEU 80 HA LEU 80 -25.144 -11.960 -13.006 645 1HB LEU 80 HB2 LEU 80 -26.064 -10.431 -10.573 646 2HB LEU 80 HB1 LEU 80 -25.205 -11.967 -10.492 647 HG LEU 80 HG LEU 80 -23.543 -10.735 -12.109 648 1HD1 LEU 80 HD23 LEU 80 -25.033 -8.507 -10.836 649 2HD1 LEU 80 HD22 LEU 80 -23.347 -8.338 -11.321 650 3HD1 LEU 80 HD21 LEU 80 -24.569 -8.732 -12.515 651 1HD2 LEU 80 HD12 LEU 80 -23.735 -10.756 -9.161 652 2HD2 LEU 80 HD11 LEU 80 -22.490 -11.413 -10.226 653 3HD2 LEU 80 HD13 LEU 80 -22.530 -9.678 -9.868 654 H SER 81 HN SER 81 -25.812 -13.927 -12.108 655 HA SER 81 HA SER 81 -28.620 -14.561 -12.507 656 1HB SER 81 HB2 SER 81 -27.557 -16.906 -11.788 657 2HB SER 81 HB1 SER 81 -27.344 -16.236 -13.401 658 HG SER 81 HG SER 81 -25.331 -16.854 -12.610 659 H ASP 82 HN ASP 82 -28.376 -12.836 -10.412 660 HA ASP 82 HA ASP 82 -29.239 -14.448 -8.098 661 1HB ASP 82 HB2 ASP 82 -26.985 -13.942 -7.500 662 2HB ASP 82 HB1 ASP 82 -27.095 -12.306 -8.137 663 H GLY 83 HN GLY 83 -28.643 -11.013 -8.600 664 1HA GLY 83 HA2 GLY 83 -31.097 -10.031 -9.350 665 2HA GLY 83 HA1 GLY 83 -31.193 -10.198 -7.591 666 H ASN 84 HN ASN 84 -28.697 -9.236 -9.948 667 HA ASN 84 HA ASN 84 -28.358 -6.606 -8.704 668 1HB ASN 84 HB2 ASN 84 -26.389 -8.867 -8.658 669 2HB ASN 84 HB1 ASN 84 -25.758 -7.262 -9.002 670 1HD2 ASN 84 HD22 ASN 84 -26.951 -8.230 -5.244 671 2HD2 ASN 84 HD21 ASN 84 -27.172 -9.317 -6.577 672 H GLU 85 HN GLU 85 -27.695 -5.101 -10.193 673 HA GLU 85 HA GLU 85 -26.966 -5.988 -12.924 674 1HB GLU 85 HB2 GLU 85 -29.096 -3.988 -12.140 675 2HB GLU 85 HB1 GLU 85 -28.423 -4.099 -13.767 676 1HG GLU 85 HG2 GLU 85 -29.182 -6.428 -13.930 677 2HG GLU 85 HG1 GLU 85 -29.834 -6.340 -12.295 678 H TYR 86 HN TYR 86 -25.089 -5.066 -13.477 679 HA TYR 86 HA TYR 86 -24.410 -2.372 -12.415 680 1HB TYR 86 HB2 TYR 86 -22.377 -4.544 -12.927 681 2HB TYR 86 HB1 TYR 86 -22.135 -3.006 -12.113 682 HD1 TYR 86 HD1 TYR 86 -23.672 -2.695 -9.952 683 HD2 TYR 86 HD2 TYR 86 -22.492 -6.432 -11.620 684 HE1 TYR 86 HE1 TYR 86 -24.016 -3.770 -7.767 685 HE2 TYR 86 HE2 TYR 86 -22.841 -7.519 -9.435 686 HH TYR 86 HH TYR 86 -24.579 -6.296 -7.021 687 H LEU 87 HN LEU 87 -23.351 -0.988 -13.793 688 HA LEU 87 HA LEU 87 -23.243 -1.729 -16.653 689 1HB LEU 87 HB2 LEU 87 -23.144 0.960 -15.250 690 2HB LEU 87 HB1 LEU 87 -22.881 0.751 -16.975 691 HG LEU 87 HG LEU 87 -25.400 0.329 -15.398 692 1HD1 LEU 87 HD12 LEU 87 -24.581 2.548 -16.567 693 2HD1 LEU 87 HD11 LEU 87 -25.207 1.758 -18.024 694 3HD1 LEU 87 HD13 LEU 87 -26.273 2.060 -16.645 695 1HD2 LEU 87 HD23 LEU 87 -24.664 -0.832 -18.065 696 2HD2 LEU 87 HD22 LEU 87 -25.481 -1.598 -16.695 697 3HD2 LEU 87 HD21 LEU 87 -26.335 -0.415 -17.684 698 H PHE 88 HN PHE 88 -21.295 -2.332 -17.383 699 HA PHE 88 HA PHE 88 -18.886 -1.461 -15.911 700 1HB PHE 88 HB2 PHE 88 -19.616 -3.949 -17.375 701 2HB PHE 88 HB1 PHE 88 -17.922 -3.507 -17.209 702 HD1 PHE 88 HD1 PHE 88 -17.096 -2.988 -14.783 703 HD2 PHE 88 HD2 PHE 88 -20.665 -5.150 -15.693 704 HE1 PHE 88 HE1 PHE 88 -17.082 -3.969 -12.528 705 HE2 PHE 88 HE2 PHE 88 -20.651 -6.127 -13.433 706 HZ PHE 88 HZ PHE 88 -18.802 -5.556 -11.860 707 H GLN 89 HN GLN 89 -17.369 -0.303 -16.926 708 HA GLN 89 HA GLN 89 -17.605 0.154 -19.851 709 1HB GLN 89 HB2 GLN 89 -17.738 2.084 -17.999 710 2HB GLN 89 HB1 GLN 89 -15.989 1.979 -18.136 711 1HG GLN 89 HG2 GLN 89 -16.106 2.392 -20.532 712 2HG GLN 89 HG1 GLN 89 -17.867 2.404 -20.464 713 1HE2 GLN 89 HE22 GLN 89 -17.688 5.885 -20.116 714 2HE2 GLN 89 HE21 GLN 89 -18.236 4.514 -21.025 715 H ALA 90 HN ALA 90 -15.958 -0.450 -21.099 716 HA ALA 90 HA ALA 90 -13.622 -1.732 -19.874 717 1HB ALA 90 HB3 ALA 90 -14.726 -1.684 -22.691 718 2HB ALA 90 HB2 ALA 90 -13.186 -2.433 -22.271 719 3HB ALA 90 HB1 ALA 90 -14.682 -3.042 -21.565 720 H LYS 91 HN LYS 91 -11.473 -1.292 -20.630 721 HA LYS 91 HA LYS 91 -10.884 1.513 -20.862 722 1HB LYS 91 HB2 LYS 91 -8.496 0.662 -21.031 723 2HB LYS 91 HB1 LYS 91 -9.364 0.245 -19.559 724 1HG LYS 91 HG2 LYS 91 -9.800 -1.997 -20.414 725 2HG LYS 91 HG1 LYS 91 -9.041 -1.592 -21.947 726 1HD LYS 91 HD2 LYS 91 -7.585 -1.441 -19.310 727 2HD LYS 91 HD1 LYS 91 -7.633 -2.906 -20.285 728 1HE LYS 91 HE2 LYS 91 -6.520 -0.224 -21.160 729 2HE LYS 91 HE1 LYS 91 -5.581 -1.642 -20.719 730 1HZ LYS 91 HZ1 LYS 91 -7.184 -2.623 -22.643 731 2HZ LYS 91 HZ3 LYS 91 -6.940 -1.027 -23.195 732 3HZ LYS 91 HZ2 LYS 91 -5.603 -2.042 -22.898 733 H ASP 92 HN ASP 92 -10.755 -1.289 -22.999 734 HA ASP 92 HA ASP 92 -10.336 0.475 -25.343 735 1HB ASP 92 HB2 ASP 92 -9.101 -2.140 -24.590 736 2HB ASP 92 HB1 ASP 92 -9.505 -1.904 -26.287 737 H ASP 93 HN ASP 93 -11.317 -0.352 -27.317 738 HA ASP 93 HA ASP 93 -14.056 -1.047 -26.965 739 1HB ASP 93 HB2 ASP 93 -12.439 -0.074 -29.066 740 2HB ASP 93 HB1 ASP 93 -13.098 -1.593 -29.663 741 H GLU 94 HN GLU 94 -11.289 -2.908 -28.215 742 HA GLU 94 HA GLU 94 -12.659 -5.341 -28.704 743 1HB GLU 94 HB2 GLU 94 -9.749 -5.129 -27.922 744 2HB GLU 94 HB1 GLU 94 -10.518 -6.337 -28.947 745 1HG GLU 94 HG2 GLU 94 -9.712 -5.063 -30.641 746 2HG GLU 94 HG1 GLU 94 -11.139 -4.078 -30.331 747 H GLU 95 HN GLU 95 -11.158 -4.025 -25.816 748 HA GLU 95 HA GLU 95 -10.990 -6.274 -24.174 749 1HB GLU 95 HB2 GLU 95 -10.448 -3.627 -23.886 750 2HB GLU 95 HB1 GLU 95 -11.862 -3.782 -22.867 751 1HG GLU 95 HG2 GLU 95 -10.291 -4.315 -21.309 752 2HG GLU 95 HG1 GLU 95 -10.520 -5.925 -21.989 753 H MET 96 HN MET 96 -13.785 -4.331 -25.050 754 HA MET 96 HA MET 96 -15.624 -5.167 -23.076 755 1HB MET 96 HB2 MET 96 -16.140 -3.306 -24.522 756 2HB MET 96 HB1 MET 96 -16.027 -4.324 -25.952 757 1HG MET 96 HG2 MET 96 -17.989 -5.154 -23.886 758 2HG MET 96 HG1 MET 96 -18.361 -3.689 -24.776 759 1HE MET 96 HE1 MET 96 -17.597 -3.630 -27.260 760 2HE MET 96 HE3 MET 96 -17.281 -5.081 -28.223 761 3HE MET 96 HE2 MET 96 -18.894 -4.378 -28.182 762 H ASN 97 HN ASN 97 -14.793 -6.576 -26.243 763 HA ASN 97 HA ASN 97 -16.681 -8.716 -26.122 764 1HB ASN 97 HB2 ASN 97 -15.476 -7.787 -28.192 765 2HB ASN 97 HB1 ASN 97 -14.094 -8.757 -27.689 766 1HD2 ASN 97 HD22 ASN 97 -15.434 -11.373 -29.600 767 2HD2 ASN 97 HD21 ASN 97 -14.129 -10.263 -29.321 768 H THR 98 HN THR 98 -13.252 -8.414 -25.259 769 HA THR 98 HA THR 98 -12.743 -11.109 -24.588 770 HB THR 98 HB THR 98 -11.421 -8.781 -23.204 771 HG1 THR 98 HG1 THR 98 -10.250 -8.353 -25.026 772 1HG2 THR 98 HG23 THR 98 -10.724 -11.075 -22.594 773 2HG2 THR 98 HG22 THR 98 -10.329 -11.394 -24.285 774 3HG2 THR 98 HG21 THR 98 -9.426 -10.176 -23.380 775 H TRP 99 HN TRP 99 -13.916 -8.392 -22.591 776 HA TRP 99 HA TRP 99 -13.975 -9.863 -20.132 777 1HB TRP 99 HB2 TRP 99 -14.971 -7.203 -21.064 778 2HB TRP 99 HB1 TRP 99 -15.672 -7.871 -19.596 779 HD1 TRP 99 HD1 TRP 99 -12.777 -5.836 -20.711 780 HE1 TRP 99 HE1 TRP 99 -11.076 -5.618 -18.817 781 HE3 TRP 99 HE3 TRP 99 -14.521 -9.463 -17.518 782 HZ2 TRP 99 HZ2 TRP 99 -10.524 -6.768 -16.322 783 HZ3 TRP 99 HZ3 TRP 99 -13.343 -9.841 -15.388 784 HH2 TRP 99 HH2 TRP 99 -11.365 -8.511 -14.798 785 H ILE 100 HN ILE 100 -16.533 -8.955 -22.481 786 HA ILE 100 HA ILE 100 -18.708 -10.113 -21.123 787 HB ILE 100 HB ILE 100 -18.208 -9.523 -24.032 788 1HG1 ILE 100 HG12 ILE 100 -20.049 -8.319 -21.953 789 2HG1 ILE 100 HG11 ILE 100 -18.527 -7.628 -22.495 790 1HG2 ILE 100 HG23 ILE 100 -20.620 -10.842 -22.791 791 2HG2 ILE 100 HG22 ILE 100 -20.750 -9.871 -24.256 792 3HG2 ILE 100 HG21 ILE 100 -19.728 -11.308 -24.245 793 1HD1 ILE 100 HD12 ILE 100 -19.601 -7.738 -24.869 794 2HD1 ILE 100 HD11 ILE 100 -21.122 -7.875 -23.981 795 3HD1 ILE 100 HD13 ILE 100 -20.097 -6.457 -23.759 796 H GLN 101 HN GLN 101 -16.485 -11.550 -23.507 797 HA GLN 101 HA GLN 101 -17.772 -14.092 -23.630 798 1HB GLN 101 HB2 GLN 101 -14.999 -13.134 -24.332 799 2HB GLN 101 HB1 GLN 101 -15.465 -14.827 -24.490 800 1HG GLN 101 HG2 GLN 101 -17.339 -14.159 -25.965 801 2HG GLN 101 HG1 GLN 101 -16.815 -12.481 -25.850 802 1HE2 GLN 101 HE22 GLN 101 -15.311 -14.587 -28.765 803 2HE2 GLN 101 HE21 GLN 101 -16.874 -14.734 -28.012 804 H ALA 102 HN ALA 102 -15.173 -12.783 -21.599 805 HA ALA 102 HA ALA 102 -14.532 -15.219 -20.252 806 1HB ALA 102 HB3 ALA 102 -14.112 -12.315 -19.506 807 2HB ALA 102 HB2 ALA 102 -13.503 -13.666 -18.544 808 3HB ALA 102 HB1 ALA 102 -12.933 -13.431 -20.197 809 H ILE 103 HN ILE 103 -16.779 -12.575 -19.607 810 HA ILE 103 HA ILE 103 -17.685 -13.428 -17.044 811 HB ILE 103 HB ILE 103 -18.721 -11.565 -19.164 812 1HG1 ILE 103 HG12 ILE 103 -18.170 -10.908 -16.292 813 2HG1 ILE 103 HG11 ILE 103 -16.828 -11.113 -17.411 814 1HG2 ILE 103 HG23 ILE 103 -20.208 -12.494 -16.714 815 2HG2 ILE 103 HG22 ILE 103 -20.462 -10.887 -17.395 816 3HG2 ILE 103 HG21 ILE 103 -20.796 -12.315 -18.370 817 1HD1 ILE 103 HD12 ILE 103 -19.025 -9.372 -18.363 818 2HD1 ILE 103 HD11 ILE 103 -18.094 -8.755 -16.999 819 3HD1 ILE 103 HD13 ILE 103 -17.280 -9.171 -18.505 820 H SER 104 HN SER 104 -18.798 -14.059 -20.356 821 HA SER 104 HA SER 104 -21.154 -15.510 -19.639 822 1HB SER 104 HB2 SER 104 -19.546 -15.592 -22.202 823 2HB SER 104 HB1 SER 104 -21.199 -16.154 -21.986 824 HG SER 104 HG SER 104 -20.216 -13.491 -21.862 825 H SER 105 HN SER 105 -17.791 -16.393 -20.050 826 HA SER 105 HA SER 105 -18.248 -19.251 -20.107 827 1HB SER 105 HB2 SER 105 -15.689 -17.693 -19.635 828 2HB SER 105 HB1 SER 105 -15.808 -19.415 -19.994 829 HG SER 105 HG SER 105 -16.435 -17.209 -21.684 830 H ALA 106 HN ALA 106 -17.060 -16.876 -17.746 831 HA ALA 106 HA ALA 106 -16.963 -16.826 -15.482 832 1HB ALA 106 HB3 ALA 106 -19.400 -17.526 -15.862 833 2HB ALA 106 HB2 ALA 106 -18.882 -19.147 -15.387 834 3HB ALA 106 HB1 ALA 106 -18.711 -17.798 -14.262 No H/Q in entry = 834 Start of MODEL 30 1 1H MET 1 HT2 MET 1 -8.203 -12.151 -17.157 2 2H MET 1 HT1 MET 1 -7.544 -13.501 -16.337 3 3H MET 1 HT3 MET 1 -8.589 -13.733 -17.662 4 HA MET 1 HA MET 1 -10.448 -12.953 -16.491 5 1HB MET 1 HB2 MET 1 -8.707 -14.897 -15.011 6 2HB MET 1 HB1 MET 1 -10.192 -14.343 -14.245 7 1HG MET 1 HG2 MET 1 -11.358 -14.984 -16.441 8 2HG MET 1 HG1 MET 1 -9.877 -15.851 -16.830 9 1HE MET 1 HE1 MET 1 -11.071 -17.866 -17.225 10 2HE MET 1 HE3 MET 1 -9.877 -18.630 -16.167 11 3HE MET 1 HE2 MET 1 -11.589 -19.020 -15.999 12 H GLU 2 HN GLU 2 -7.768 -11.282 -15.743 13 HA GLU 2 HA GLU 2 -9.024 -9.929 -13.424 14 1HB GLU 2 HB2 GLU 2 -6.038 -10.160 -13.783 15 2HB GLU 2 HB1 GLU 2 -6.935 -9.642 -12.360 16 1HG GLU 2 HG2 GLU 2 -7.824 -11.942 -12.110 17 2HG GLU 2 HG1 GLU 2 -6.853 -12.448 -13.493 18 H GLY 3 HN GLY 3 -8.795 -7.675 -13.371 19 1HA GLY 3 HA2 GLY 3 -7.198 -5.980 -14.802 20 2HA GLY 3 HA1 GLY 3 -8.490 -6.374 -15.935 21 H PHE 4 HN PHE 4 -8.431 -3.844 -15.441 22 HA PHE 4 HA PHE 4 -10.048 -3.127 -13.102 23 1HB PHE 4 HB2 PHE 4 -8.527 -1.619 -15.177 24 2HB PHE 4 HB1 PHE 4 -9.859 -0.805 -14.378 25 HD1 PHE 4 HD1 PHE 4 -9.883 -0.941 -11.768 26 HD2 PHE 4 HD2 PHE 4 -6.420 -1.572 -14.191 27 HE1 PHE 4 HE1 PHE 4 -8.435 -0.434 -9.840 28 HE2 PHE 4 HE2 PHE 4 -4.976 -1.054 -12.264 29 HZ PHE 4 HZ PHE 4 -5.991 -0.502 -10.080 30 H LEU 5 HN LEU 5 -12.059 -2.225 -13.202 31 HA LEU 5 HA LEU 5 -13.505 -2.026 -15.729 32 1HB LEU 5 HB2 LEU 5 -14.000 -4.144 -13.673 33 2HB LEU 5 HB1 LEU 5 -15.400 -3.376 -14.409 34 HG LEU 5 HG LEU 5 -13.174 -4.779 -15.889 35 1HD1 LEU 5 HD13 LEU 5 -15.944 -5.585 -15.073 36 2HD1 LEU 5 HD12 LEU 5 -15.190 -6.283 -16.503 37 3HD1 LEU 5 HD11 LEU 5 -14.432 -6.483 -14.921 38 1HD2 LEU 5 HD23 LEU 5 -15.442 -3.086 -16.779 39 2HD2 LEU 5 HD22 LEU 5 -13.858 -3.337 -17.516 40 3HD2 LEU 5 HD21 LEU 5 -15.122 -4.552 -17.709 41 H ASN 6 HN ASN 6 -15.129 -0.540 -15.613 42 HA ASN 6 HA ASN 6 -15.381 1.001 -13.127 43 1HB ASN 6 HB2 ASN 6 -15.606 1.564 -15.988 44 2HB ASN 6 HB1 ASN 6 -16.971 2.183 -15.083 45 1HD2 ASN 6 HD22 ASN 6 -13.250 3.770 -14.570 46 2HD2 ASN 6 HD21 ASN 6 -13.509 2.294 -15.451 47 H ARG 7 HN ARG 7 -16.909 0.369 -11.754 48 HA ARG 7 HA ARG 7 -19.181 -1.226 -12.755 49 1HB ARG 7 HB2 ARG 7 -17.596 -2.078 -10.970 50 2HB ARG 7 HB1 ARG 7 -18.271 -0.857 -9.899 51 1HG ARG 7 HG2 ARG 7 -20.427 -2.324 -11.118 52 2HG ARG 7 HG1 ARG 7 -19.268 -3.461 -10.441 53 1HD ARG 7 HD2 ARG 7 -20.716 -3.037 -8.642 54 2HD ARG 7 HD1 ARG 7 -19.340 -1.979 -8.316 55 HE ARG 7 HE ARG 7 -21.683 -0.888 -9.747 56 1HH1 ARG 7 HH21 ARG 7 -20.388 1.397 -9.119 57 2HH1 ARG 7 HH22 ARG 7 -20.753 1.807 -7.463 58 1HH2 ARG 7 HH11 ARG 7 -21.771 -1.469 -6.623 59 2HH2 ARG 7 HH12 ARG 7 -21.509 0.148 -6.021 60 H LYS 8 HN LYS 8 -21.214 -0.562 -12.671 61 HA LYS 8 HA LYS 8 -22.031 1.652 -10.904 62 1HB LYS 8 HB2 LYS 8 -21.437 2.492 -13.220 63 2HB LYS 8 HB1 LYS 8 -22.795 1.566 -13.822 64 1HG LYS 8 HG2 LYS 8 -23.874 2.997 -11.692 65 2HG LYS 8 HG1 LYS 8 -22.744 4.128 -12.424 66 1HD LYS 8 HD2 LYS 8 -24.416 4.603 -13.855 67 2HD LYS 8 HD1 LYS 8 -23.991 3.085 -14.634 68 1HE LYS 8 HE2 LYS 8 -26.141 2.518 -14.282 69 2HE LYS 8 HE1 LYS 8 -25.650 2.224 -12.620 70 1HZ LYS 8 HZ1 LYS 8 -26.576 4.878 -13.543 71 2HZ LYS 8 HZ3 LYS 8 -27.659 3.692 -12.987 72 3HZ LYS 8 HZ2 LYS 8 -26.449 4.297 -11.943 73 H HIS 9 HN HIS 9 -23.647 0.795 -9.727 74 HA HIS 9 HA HIS 9 -25.262 -1.389 -10.787 75 1HB HIS 9 HB2 HIS 9 -26.384 -1.257 -8.496 76 2HB HIS 9 HB1 HIS 9 -24.717 -1.785 -8.550 77 HD1 HIS 9 HD1 HIS 9 -25.215 -1.027 -5.922 78 HD2 HIS 9 HD2 HIS 9 -24.565 1.975 -8.690 79 HE1 HIS 9 HE1 HIS 9 -24.550 0.974 -4.567 80 H GLU 10 HN GLU 10 -27.015 -1.039 -11.921 81 HA GLU 10 HA GLU 10 -28.303 1.591 -11.917 82 1HB GLU 10 HB2 GLU 10 -27.675 0.314 -14.037 83 2HB GLU 10 HB1 GLU 10 -28.990 -0.791 -13.649 84 1HG GLU 10 HG2 GLU 10 -29.848 0.823 -15.204 85 2HG GLU 10 HG1 GLU 10 -30.547 1.196 -13.630 86 H TRP 11 HN TRP 11 -29.093 -1.811 -11.287 87 HA TRP 11 HA TRP 11 -31.288 -1.012 -9.542 88 1HB TRP 11 HB2 TRP 11 -32.333 -1.101 -11.768 89 2HB TRP 11 HB1 TRP 11 -31.727 -2.732 -12.004 90 HD1 TRP 11 HD1 TRP 11 -34.113 -0.878 -9.518 91 HE1 TRP 11 HE1 TRP 11 -35.977 -2.517 -8.897 92 HE3 TRP 11 HE3 TRP 11 -32.511 -5.016 -12.046 93 HZ2 TRP 11 HZ2 TRP 11 -36.698 -5.186 -9.395 94 HZ3 TRP 11 HZ3 TRP 11 -33.841 -7.081 -11.941 95 HH2 TRP 11 HH2 TRP 11 -35.900 -7.169 -10.628 96 H GLU 12 HN GLU 12 -31.388 -2.345 -7.837 97 HA GLU 12 HA GLU 12 -30.272 -5.078 -8.042 98 1HB GLU 12 HB2 GLU 12 -29.576 -3.027 -5.923 99 2HB GLU 12 HB1 GLU 12 -29.212 -4.744 -5.791 100 1HG GLU 12 HG2 GLU 12 -27.903 -4.544 -7.939 101 2HG GLU 12 HG1 GLU 12 -28.132 -2.798 -7.843 102 H ALA 13 HN ALA 13 -32.775 -5.072 -8.214 103 HA ALA 13 HA ALA 13 -34.693 -5.939 -7.374 104 1HB ALA 13 HB2 ALA 13 -33.164 -7.441 -6.105 105 2HB ALA 13 HB1 ALA 13 -33.256 -6.319 -4.749 106 3HB ALA 13 HB3 ALA 13 -34.707 -7.145 -5.306 107 H HIS 14 HN HIS 14 -33.549 -4.456 -4.403 108 HA HIS 14 HA HIS 14 -36.076 -3.106 -3.992 109 1HB HIS 14 HB2 HIS 14 -33.544 -3.391 -2.402 110 2HB HIS 14 HB1 HIS 14 -34.733 -2.178 -1.947 111 HD1 HIS 14 HD1 HIS 14 -37.243 -3.219 -1.573 112 HD2 HIS 14 HD2 HIS 14 -34.067 -5.869 -1.331 113 HE1 HIS 14 HE1 HIS 14 -38.151 -5.205 -0.360 114 H ASN 15 HN ASN 15 -36.578 -1.051 -4.300 115 HA ASN 15 HA ASN 15 -36.438 1.194 -4.716 116 1HB ASN 15 HB2 ASN 15 -34.134 0.879 -3.380 117 2HB ASN 15 HB1 ASN 15 -33.462 1.254 -4.965 118 1HD2 ASN 15 HD22 ASN 15 -33.915 4.668 -4.469 119 2HD2 ASN 15 HD21 ASN 15 -33.005 3.350 -5.146 120 H LYS 16 HN LYS 16 -36.305 2.522 -6.563 121 HA LYS 16 HA LYS 16 -36.339 1.180 -9.056 122 1HB LYS 16 HB2 LYS 16 -36.062 4.154 -8.570 123 2HB LYS 16 HB1 LYS 16 -36.620 3.376 -10.046 124 1HG LYS 16 HG2 LYS 16 -38.367 2.293 -8.303 125 2HG LYS 16 HG1 LYS 16 -38.048 3.810 -7.470 126 1HD LYS 16 HD2 LYS 16 -38.540 4.134 -10.354 127 2HD LYS 16 HD1 LYS 16 -39.900 3.441 -9.477 128 1HE LYS 16 HE2 LYS 16 -40.230 5.792 -9.411 129 2HE LYS 16 HE1 LYS 16 -39.644 5.351 -7.810 130 1HZ LYS 16 HZ3 LYS 16 -37.969 6.468 -10.001 131 2HZ LYS 16 HZ2 LYS 16 -38.572 7.338 -8.663 132 3HZ LYS 16 HZ1 LYS 16 -37.441 6.087 -8.423 133 H LYS 17 HN LYS 17 -33.868 3.144 -7.473 134 HA LYS 17 HA LYS 17 -31.851 2.110 -9.339 135 1HB LYS 17 HB2 LYS 17 -32.494 5.000 -8.834 136 2HB LYS 17 HB1 LYS 17 -30.820 4.533 -9.109 137 1HG LYS 17 HG2 LYS 17 -31.577 3.382 -11.207 138 2HG LYS 17 HG1 LYS 17 -33.158 4.121 -10.968 139 1HD LYS 17 HD2 LYS 17 -31.975 6.367 -10.930 140 2HD LYS 17 HD1 LYS 17 -30.515 5.522 -11.439 141 1HE LYS 17 HE2 LYS 17 -33.124 5.771 -12.950 142 2HE LYS 17 HE1 LYS 17 -31.549 6.414 -13.406 143 1HZ LYS 17 HZ1 LYS 17 -30.772 4.039 -13.472 144 2HZ LYS 17 HZ3 LYS 17 -32.417 3.585 -13.361 145 3HZ LYS 17 HZ2 LYS 17 -31.867 4.502 -14.691 146 H ALA 18 HN ALA 18 -29.721 2.155 -8.484 147 HA ALA 18 HA ALA 18 -29.641 1.700 -5.616 148 1HB ALA 18 HB3 ALA 18 -28.487 0.196 -7.215 149 2HB ALA 18 HB2 ALA 18 -27.414 1.528 -7.651 150 3HB ALA 18 HB1 ALA 18 -27.396 0.884 -6.010 151 H SER 19 HN SER 19 -30.254 4.126 -5.540 152 HA SER 19 HA SER 19 -29.736 6.089 -4.525 153 1HB SER 19 HB2 SER 19 -26.787 5.494 -4.806 154 2HB SER 19 HB1 SER 19 -27.594 6.542 -3.644 155 HG SER 19 HG SER 19 -28.592 4.045 -3.429 156 H SER 20 HN SER 20 -26.982 7.344 -5.609 157 HA SER 20 HA SER 20 -27.785 7.782 -8.377 158 1HB SER 20 HB2 SER 20 -27.595 10.116 -6.444 159 2HB SER 20 HB1 SER 20 -27.921 10.213 -8.175 160 HG SER 20 HG SER 20 -29.641 8.489 -7.026 161 H ARG 21 HN ARG 21 -26.193 9.206 -9.529 162 HA ARG 21 HA ARG 21 -24.087 9.842 -10.138 163 1HB ARG 21 HB2 ARG 21 -24.038 10.566 -7.585 164 2HB ARG 21 HB1 ARG 21 -22.887 9.245 -7.455 165 1HG ARG 21 HG2 ARG 21 -22.418 11.049 -9.743 166 2HG ARG 21 HG1 ARG 21 -22.278 11.826 -8.174 167 1HD ARG 21 HD2 ARG 21 -20.762 9.376 -9.100 168 2HD ARG 21 HD1 ARG 21 -20.108 11.000 -8.894 169 HE ARG 21 HE ARG 21 -21.195 10.322 -6.427 170 1HH1 ARG 21 HH11 ARG 21 -19.961 7.636 -7.706 171 2HH1 ARG 21 HH12 ARG 21 -18.454 7.579 -6.835 172 1HH2 ARG 21 HH21 ARG 21 -18.703 10.920 -5.714 173 2HH2 ARG 21 HH22 ARG 21 -17.736 9.463 -5.674 174 H SER 22 HN SER 22 -22.973 7.503 -7.715 175 HA SER 22 HA SER 22 -21.918 5.493 -7.882 176 1HB SER 22 HB2 SER 22 -24.191 5.024 -8.991 177 2HB SER 22 HB1 SER 22 -23.300 5.035 -10.509 178 HG SER 22 HG SER 22 -23.012 3.303 -8.282 179 H TRP 23 HN TRP 23 -21.247 4.101 -10.277 180 HA TRP 23 HA TRP 23 -19.560 3.767 -11.757 181 1HB TRP 23 HB2 TRP 23 -19.724 6.769 -11.941 182 2HB TRP 23 HB1 TRP 23 -18.412 5.910 -12.729 183 HD1 TRP 23 HD1 TRP 23 -21.773 7.144 -13.533 184 HE1 TRP 23 HE1 TRP 23 -22.773 5.863 -15.514 185 HE3 TRP 23 HE3 TRP 23 -18.509 3.209 -13.765 186 HZ2 TRP 23 HZ2 TRP 23 -22.259 3.513 -17.001 187 HZ3 TRP 23 HZ3 TRP 23 -18.806 1.485 -15.493 188 HH2 TRP 23 HH2 TRP 23 -20.649 1.639 -17.105 189 H HIS 24 HN HIS 24 -18.299 2.702 -10.353 190 HA HIS 24 HA HIS 24 -16.148 4.201 -8.979 191 1HB HIS 24 HB2 HIS 24 -17.994 2.970 -7.629 192 2HB HIS 24 HB1 HIS 24 -17.189 1.495 -8.143 193 HD1 HIS 24 HD1 HIS 24 -17.306 3.591 -5.372 194 HD2 HIS 24 HD2 HIS 24 -14.172 1.873 -7.444 195 HE1 HIS 24 HE1 HIS 24 -15.392 3.579 -3.751 196 H ASN 25 HN ASN 25 -14.165 3.786 -9.711 197 HA ASN 25 HA ASN 25 -13.625 1.718 -11.674 198 1HB ASN 25 HB2 ASN 25 -12.516 3.878 -11.863 199 2HB ASN 25 HB1 ASN 25 -11.842 3.718 -10.245 200 1HD2 ASN 25 HD22 ASN 25 -8.923 2.336 -11.538 201 2HD2 ASN 25 HD21 ASN 25 -9.716 3.424 -10.435 202 H VAL 26 HN VAL 26 -13.664 -0.330 -10.871 203 HA VAL 26 HA VAL 26 -12.000 -0.941 -8.496 204 HB VAL 26 HB VAL 26 -14.528 -1.022 -8.200 205 1HG1 VAL 26 HG11 VAL 26 -14.789 -2.242 -10.490 206 2HG1 VAL 26 HG13 VAL 26 -14.440 -3.694 -9.554 207 3HG1 VAL 26 HG12 VAL 26 -15.831 -2.690 -9.139 208 1HG2 VAL 26 HG23 VAL 26 -12.764 -2.190 -6.788 209 2HG2 VAL 26 HG22 VAL 26 -14.417 -2.800 -6.686 210 3HG2 VAL 26 HG21 VAL 26 -13.213 -3.666 -7.648 211 H TYR 27 HN TYR 27 -11.108 -3.083 -8.435 212 HA TYR 27 HA TYR 27 -10.356 -4.100 -11.105 213 1HB TYR 27 HB2 TYR 27 -8.655 -3.340 -9.342 214 2HB TYR 27 HB1 TYR 27 -9.087 -4.789 -8.452 215 HD1 TYR 27 HD2 TYR 27 -8.504 -6.997 -9.295 216 HD2 TYR 27 HD1 TYR 27 -7.382 -3.450 -11.391 217 HE1 TYR 27 HE2 TYR 27 -6.916 -8.301 -10.648 218 HE2 TYR 27 HE1 TYR 27 -5.799 -4.759 -12.747 219 HH TYR 27 HH TYR 27 -5.441 -7.039 -13.469 220 H CYS 28 HN CYS 28 -11.433 -5.867 -11.785 221 HA CYS 28 HA CYS 28 -12.750 -7.620 -9.800 222 1HB CYS 28 HB2 CYS 28 -13.216 -7.365 -12.777 223 2HB CYS 28 HB1 CYS 28 -14.148 -8.356 -11.660 224 HG CYS 28 HG CYS 28 -14.162 -5.406 -10.902 225 H VAL 29 HN VAL 29 -12.314 -9.744 -9.652 226 HA VAL 29 HA VAL 29 -10.394 -10.993 -11.530 227 HB VAL 29 HB VAL 29 -10.416 -11.215 -8.505 228 1HG1 VAL 29 HG12 VAL 29 -9.148 -12.881 -10.623 229 2HG1 VAL 29 HG11 VAL 29 -8.189 -12.522 -9.188 230 3HG1 VAL 29 HG13 VAL 29 -9.748 -13.337 -9.026 231 1HG2 VAL 29 HG23 VAL 29 -9.003 -9.471 -10.304 232 2HG2 VAL 29 HG22 VAL 29 -8.976 -9.524 -8.544 233 3HG2 VAL 29 HG21 VAL 29 -7.863 -10.528 -9.473 234 H ILE 30 HN ILE 30 -11.540 -12.548 -12.541 235 HA ILE 30 HA ILE 30 -13.869 -13.785 -11.344 236 HB ILE 30 HB ILE 30 -12.493 -14.594 -13.906 237 1HG1 ILE 30 HG12 ILE 30 -14.617 -12.461 -13.558 238 2HG1 ILE 30 HG11 ILE 30 -12.921 -12.146 -13.914 239 1HG2 ILE 30 HG21 ILE 30 -15.346 -14.823 -12.938 240 2HG2 ILE 30 HG23 ILE 30 -14.794 -15.257 -14.555 241 3HG2 ILE 30 HG22 ILE 30 -14.197 -16.145 -13.151 242 1HD1 ILE 30 HD12 ILE 30 -14.548 -13.934 -15.702 243 2HD1 ILE 30 HD11 ILE 30 -14.601 -12.177 -15.883 244 3HD1 ILE 30 HD13 ILE 30 -13.072 -13.040 -16.072 245 H ASN 31 HN ASN 31 -13.964 -15.708 -10.299 246 HA ASN 31 HA ASN 31 -11.726 -17.604 -10.493 247 1HB ASN 31 HB2 ASN 31 -11.480 -15.892 -8.528 248 2HB ASN 31 HB1 ASN 31 -12.745 -16.844 -7.757 249 1HD2 ASN 31 HD22 ASN 31 -10.475 -19.264 -6.676 250 2HD2 ASN 31 HD21 ASN 31 -12.000 -18.443 -6.494 251 H ASN 32 HN ASN 32 -13.572 -18.560 -11.750 252 HA ASN 32 HA ASN 32 -15.071 -20.248 -12.024 253 1HB ASN 32 HB2 ASN 32 -13.493 -21.379 -10.443 254 2HB ASN 32 HB1 ASN 32 -14.561 -20.926 -9.117 255 1HD2 ASN 32 HD22 ASN 32 -16.618 -23.682 -9.573 256 2HD2 ASN 32 HD21 ASN 32 -15.949 -22.459 -8.550 257 H GLN 33 HN GLN 33 -16.918 -19.135 -12.432 258 HA GLN 33 HA GLN 33 -19.078 -18.420 -12.228 259 1HB GLN 33 HB2 GLN 33 -18.948 -20.371 -9.941 260 2HB GLN 33 HB1 GLN 33 -20.439 -19.556 -10.401 261 1HG GLN 33 HG2 GLN 33 -20.756 -20.916 -12.159 262 2HG GLN 33 HG1 GLN 33 -19.101 -20.686 -12.721 263 1HE2 GLN 33 HE22 GLN 33 -18.149 -23.880 -11.753 264 2HE2 GLN 33 HE21 GLN 33 -17.995 -22.521 -12.827 265 H GLU 34 HN GLU 34 -16.847 -17.419 -9.988 266 HA GLU 34 HA GLU 34 -18.606 -15.287 -9.008 267 1HB GLU 34 HB2 GLU 34 -18.147 -17.427 -7.396 268 2HB GLU 34 HB1 GLU 34 -16.764 -16.421 -6.979 269 1HG GLU 34 HG2 GLU 34 -18.323 -14.534 -6.526 270 2HG GLU 34 HG1 GLU 34 -19.678 -15.615 -6.848 271 H MET 35 HN MET 35 -17.508 -13.365 -8.531 272 HA MET 35 HA MET 35 -14.597 -13.344 -8.984 273 1HB MET 35 HB2 MET 35 -14.721 -11.422 -10.423 274 2HB MET 35 HB1 MET 35 -15.745 -12.684 -11.089 275 1HG MET 35 HG2 MET 35 -17.728 -11.570 -10.387 276 2HG MET 35 HG1 MET 35 -16.827 -10.440 -9.389 277 1HE MET 35 HE3 MET 35 -18.711 -8.966 -10.777 278 2HE MET 35 HE2 MET 35 -18.402 -8.356 -12.401 279 3HE MET 35 HE1 MET 35 -19.028 -9.990 -12.184 280 H GLY 36 HN GLY 36 -13.461 -11.921 -7.766 281 1HA GLY 36 HA2 GLY 36 -14.949 -10.572 -5.594 282 2HA GLY 36 HA1 GLY 36 -13.271 -11.108 -5.519 283 H PHE 37 HN PHE 37 -14.694 -8.423 -5.200 284 HA PHE 37 HA PHE 37 -13.420 -6.799 -7.289 285 1HB PHE 37 HB2 PHE 37 -15.278 -6.145 -5.004 286 2HB PHE 37 HB1 PHE 37 -14.525 -4.913 -5.996 287 HD1 PHE 37 HD1 PHE 37 -15.290 -7.787 -7.985 288 HD2 PHE 37 HD2 PHE 37 -17.039 -4.313 -6.211 289 HE1 PHE 37 HE1 PHE 37 -17.166 -7.921 -9.556 290 HE2 PHE 37 HE2 PHE 37 -18.910 -4.458 -7.798 291 HZ PHE 37 HZ PHE 37 -18.969 -6.261 -9.466 292 H TYR 38 HN TYR 38 -11.428 -6.042 -6.997 293 HA TYR 38 HA TYR 38 -10.357 -5.701 -4.246 294 1HB TYR 38 HB2 TYR 38 -9.021 -6.598 -6.809 295 2HB TYR 38 HB1 TYR 38 -8.107 -6.062 -5.410 296 HD1 TYR 38 HD1 TYR 38 -8.063 -7.383 -3.357 297 HD2 TYR 38 HD2 TYR 38 -10.164 -8.719 -6.815 298 HE1 TYR 38 HE1 TYR 38 -8.200 -9.646 -2.396 299 HE2 TYR 38 HE2 TYR 38 -10.300 -10.984 -5.864 300 HH TYR 38 HH TYR 38 -8.764 -12.324 -4.042 301 H LYS 39 HN LYS 39 -8.209 -4.196 -4.553 302 HA LYS 39 HA LYS 39 -9.256 -1.632 -5.477 303 1HB LYS 39 HB2 LYS 39 -7.939 -2.094 -3.287 304 2HB LYS 39 HB1 LYS 39 -6.510 -2.046 -4.316 305 1HG LYS 39 HG2 LYS 39 -7.334 0.210 -5.142 306 2HG LYS 39 HG1 LYS 39 -8.551 0.147 -3.873 307 1HD LYS 39 HD2 LYS 39 -6.789 0.008 -2.178 308 2HD LYS 39 HD1 LYS 39 -5.556 0.026 -3.437 309 1HE LYS 39 HE2 LYS 39 -6.768 2.267 -4.149 310 2HE LYS 39 HE1 LYS 39 -7.338 2.245 -2.483 311 1HZ LYS 39 HZ3 LYS 39 -4.619 1.696 -2.402 312 2HZ LYS 39 HZ2 LYS 39 -4.818 3.006 -3.479 313 3HZ LYS 39 HZ1 LYS 39 -5.416 3.111 -1.886 314 H ASP 40 HN ASP 40 -6.598 -3.832 -6.295 315 HA ASP 40 HA ASP 40 -6.494 -2.951 -9.006 316 1HB ASP 40 HB2 ASP 40 -4.161 -2.072 -8.990 317 2HB ASP 40 HB1 ASP 40 -5.288 -1.044 -8.117 318 H ALA 41 HN ALA 41 -3.992 -3.757 -9.727 319 HA ALA 41 HA ALA 41 -4.217 -6.578 -9.780 320 1HB ALA 41 HB1 ALA 41 -1.977 -4.714 -10.585 321 2HB ALA 41 HB3 ALA 41 -1.937 -6.458 -10.864 322 3HB ALA 41 HB2 ALA 41 -3.184 -5.470 -11.629 323 H LYS 42 HN LYS 42 -2.137 -4.414 -7.879 324 HA LYS 42 HA LYS 42 -0.556 -6.479 -6.690 325 1HB LYS 42 HB2 LYS 42 -1.103 -3.632 -5.820 326 2HB LYS 42 HB1 LYS 42 0.078 -4.691 -5.057 327 1HG LYS 42 HG2 LYS 42 1.582 -4.441 -6.718 328 2HG LYS 42 HG1 LYS 42 0.360 -4.531 -7.979 329 1HD LYS 42 HD2 LYS 42 0.850 -2.339 -8.284 330 2HD LYS 42 HD1 LYS 42 -0.220 -2.094 -6.906 331 1HE LYS 42 HE2 LYS 42 1.671 -0.896 -6.276 332 2HE LYS 42 HE1 LYS 42 1.922 -2.441 -5.470 333 1HZ LYS 42 HZ3 LYS 42 3.292 -3.089 -7.439 334 2HZ LYS 42 HZ2 LYS 42 3.180 -1.476 -7.983 335 3HZ LYS 42 HZ1 LYS 42 3.943 -1.837 -6.492 336 H SER 43 HN SER 43 -3.475 -4.737 -5.729 337 HA SER 43 HA SER 43 -3.773 -5.889 -3.139 338 1HB SER 43 HB2 SER 43 -5.018 -3.975 -3.322 339 2HB SER 43 HB1 SER 43 -5.443 -4.272 -4.999 340 HG SER 43 HG SER 43 -6.544 -5.673 -2.771 341 H ALA 44 HN ALA 44 -4.964 -6.801 -6.352 342 HA ALA 44 HA ALA 44 -6.561 -9.013 -5.447 343 1HB ALA 44 HB3 ALA 44 -5.481 -8.344 -8.196 344 2HB ALA 44 HB2 ALA 44 -6.689 -9.577 -7.845 345 3HB ALA 44 HB1 ALA 44 -7.054 -7.877 -7.550 346 H ALA 45 HN ALA 45 -3.304 -8.685 -6.825 347 HA ALA 45 HA ALA 45 -2.699 -11.443 -7.049 348 1HB ALA 45 HB3 ALA 45 -0.883 -9.039 -6.764 349 2HB ALA 45 HB2 ALA 45 -0.330 -10.665 -7.176 350 3HB ALA 45 HB1 ALA 45 -1.413 -9.800 -8.263 351 H SER 46 HN SER 46 -1.791 -9.092 -4.499 352 HA SER 46 HA SER 46 -0.586 -11.124 -2.835 353 1HB SER 46 HB2 SER 46 -1.314 -8.262 -2.183 354 2HB SER 46 HB1 SER 46 -0.256 -9.308 -1.239 355 HG SER 46 HG SER 46 1.145 -9.413 -3.089 356 H GLY 47 HN GLY 47 -3.806 -10.127 -3.314 357 1HA GLY 47 HA2 GLY 47 -5.771 -10.864 -2.360 358 2HA GLY 47 HA1 GLY 47 -4.824 -11.875 -1.274 359 H ILE 48 HN ILE 48 -5.023 -8.366 -1.805 360 HA ILE 48 HA ILE 48 -5.307 -7.916 1.100 361 HB ILE 48 HB ILE 48 -4.695 -5.922 -1.096 362 1HG1 ILE 48 HG12 ILE 48 -2.734 -7.125 0.866 363 2HG1 ILE 48 HG11 ILE 48 -2.939 -7.713 -0.779 364 1HG2 ILE 48 HG23 ILE 48 -4.569 -5.728 1.914 365 2HG2 ILE 48 HG22 ILE 48 -3.882 -4.533 0.817 366 3HG2 ILE 48 HG21 ILE 48 -5.620 -4.816 0.828 367 1HD1 ILE 48 HD13 ILE 48 -2.581 -4.816 -0.662 368 2HD1 ILE 48 HD12 ILE 48 -1.216 -5.708 0.011 369 3HD1 ILE 48 HD11 ILE 48 -1.740 -6.018 -1.644 370 HA PRO 49 HA PRO 49 -9.637 -7.142 0.163 371 1HB PRO 49 HB2 PRO 49 -10.410 -6.375 2.660 372 2HB PRO 49 HB1 PRO 49 -10.166 -8.058 2.177 373 1HG PRO 49 HG2 PRO 49 -8.375 -6.250 3.731 374 2HG PRO 49 HG1 PRO 49 -8.690 -7.979 3.945 375 1HD PRO 49 HD2 PRO 49 -6.453 -6.965 2.725 376 2HD PRO 49 HD1 PRO 49 -7.118 -8.577 2.389 377 H TYR 50 HN TYR 50 -10.373 -5.399 -0.857 378 HA TYR 50 HA TYR 50 -9.249 -2.773 -0.516 379 1HB TYR 50 HB2 TYR 50 -10.013 -3.589 -2.685 380 2HB TYR 50 HB1 TYR 50 -11.647 -3.774 -2.075 381 HD1 TYR 50 HD1 TYR 50 -9.647 -0.856 -1.164 382 HD2 TYR 50 HD2 TYR 50 -12.580 -2.358 -3.890 383 HE1 TYR 50 HE1 TYR 50 -10.149 1.437 -1.894 384 HE2 TYR 50 HE2 TYR 50 -13.077 -0.064 -4.610 385 HH TYR 50 HH TYR 50 -11.212 2.703 -3.420 386 H HIS 51 HN HIS 51 -12.354 -4.283 0.237 387 HA HIS 51 HA HIS 51 -13.048 -2.046 2.073 388 1HB HIS 51 HB2 HIS 51 -14.747 -3.872 0.363 389 2HB HIS 51 HB1 HIS 51 -15.414 -3.150 1.823 390 HD1 HIS 51 HD1 HIS 51 -16.821 -1.266 1.162 391 HD2 HIS 51 HD2 HIS 51 -13.374 -1.409 -1.127 392 HE1 HIS 51 HE1 HIS 51 -16.962 0.727 -0.351 393 H SER 52 HN SER 52 -13.818 -5.462 1.594 394 HA SER 52 HA SER 52 -12.610 -6.457 3.949 395 1HB SER 52 HB2 SER 52 -14.866 -7.143 5.022 396 2HB SER 52 HB1 SER 52 -14.312 -5.492 5.271 397 HG SER 52 HG SER 52 -16.616 -6.256 4.250 398 H GLU 53 HN GLU 53 -15.779 -7.292 2.685 399 HA GLU 53 HA GLU 53 -14.667 -9.469 1.031 400 1HB GLU 53 HB2 GLU 53 -16.730 -9.717 3.213 401 2HB GLU 53 HB1 GLU 53 -16.801 -10.769 1.809 402 1HG GLU 53 HG2 GLU 53 -15.524 -12.047 3.242 403 2HG GLU 53 HG1 GLU 53 -14.270 -11.204 2.336 404 H VAL 54 HN VAL 54 -15.183 -8.672 -0.928 405 HA VAL 54 HA VAL 54 -17.994 -7.874 -1.423 406 HB VAL 54 HB VAL 54 -16.719 -5.916 -1.292 407 1HG1 VAL 54 HG12 VAL 54 -14.700 -7.292 -3.027 408 2HG1 VAL 54 HG11 VAL 54 -14.786 -5.537 -2.974 409 3HG1 VAL 54 HG13 VAL 54 -14.471 -6.446 -1.501 410 1HG2 VAL 54 HG23 VAL 54 -17.229 -6.559 -4.194 411 2HG2 VAL 54 HG22 VAL 54 -18.371 -5.872 -3.043 412 3HG2 VAL 54 HG21 VAL 54 -16.959 -4.943 -3.551 413 HA PRO 55 HA PRO 55 -17.000 -11.109 -4.503 414 1HB PRO 55 HB2 PRO 55 -18.670 -13.001 -3.484 415 2HB PRO 55 HB1 PRO 55 -17.029 -12.731 -2.885 416 1HG PRO 55 HG2 PRO 55 -19.555 -12.221 -1.549 417 2HG PRO 55 HG1 PRO 55 -17.913 -12.140 -0.893 418 1HD PRO 55 HD2 PRO 55 -19.630 -9.965 -1.901 419 2HD PRO 55 HD1 PRO 55 -18.222 -9.874 -0.828 420 H VAL 56 HN VAL 56 -18.060 -11.224 -6.421 421 HA VAL 56 HA VAL 56 -21.001 -10.837 -6.495 422 HB VAL 56 HB VAL 56 -18.916 -9.637 -8.337 423 1HG1 VAL 56 HG11 VAL 56 -21.836 -10.129 -8.723 424 2HG1 VAL 56 HG13 VAL 56 -21.150 -8.623 -9.341 425 3HG1 VAL 56 HG12 VAL 56 -20.520 -10.173 -9.896 426 1HG2 VAL 56 HG23 VAL 56 -20.886 -8.502 -6.365 427 2HG2 VAL 56 HG22 VAL 56 -19.153 -8.201 -6.496 428 3HG2 VAL 56 HG21 VAL 56 -20.260 -7.524 -7.694 429 H SER 57 HN SER 57 -22.025 -12.459 -7.480 430 HA SER 57 HA SER 57 -20.570 -14.684 -8.573 431 1HB SER 57 HB2 SER 57 -23.524 -14.219 -8.415 432 2HB SER 57 HB1 SER 57 -22.706 -15.750 -8.613 433 HG SER 57 HG SER 57 -23.449 -14.832 -6.367 434 H LEU 58 HN LEU 58 -20.567 -15.449 -10.627 435 HA LEU 58 HA LEU 58 -21.733 -13.759 -12.774 436 1HB LEU 58 HB2 LEU 58 -19.049 -15.140 -12.615 437 2HB LEU 58 HB1 LEU 58 -19.778 -14.713 -14.163 438 HG LEU 58 HG LEU 58 -19.177 -12.795 -11.913 439 1HD1 LEU 58 HD21 LEU 58 -17.403 -13.934 -13.701 440 2HD1 LEU 58 HD23 LEU 58 -17.820 -12.400 -14.466 441 3HD1 LEU 58 HD22 LEU 58 -17.168 -12.418 -12.833 442 1HD2 LEU 58 HD11 LEU 58 -20.621 -12.539 -14.505 443 2HD2 LEU 58 HD13 LEU 58 -20.893 -11.714 -12.968 444 3HD2 LEU 58 HD12 LEU 58 -19.571 -11.207 -14.021 445 H LYS 59 HN LYS 59 -22.788 -16.094 -11.306 446 HA LYS 59 HA LYS 59 -22.780 -18.307 -13.188 447 1HB LYS 59 HB2 LYS 59 -22.890 -18.516 -10.641 448 2HB LYS 59 HB1 LYS 59 -24.557 -17.968 -10.765 449 1HG LYS 59 HG2 LYS 59 -25.262 -19.907 -11.803 450 2HG LYS 59 HG1 LYS 59 -23.677 -20.251 -12.488 451 1HD LYS 59 HD2 LYS 59 -22.852 -21.069 -10.421 452 2HD LYS 59 HD1 LYS 59 -24.197 -20.378 -9.520 453 1HE LYS 59 HE2 LYS 59 -24.668 -22.476 -11.626 454 2HE LYS 59 HE1 LYS 59 -24.203 -22.929 -9.990 455 1HZ LYS 59 HZ1 LYS 59 -26.546 -21.223 -10.653 456 2HZ LYS 59 HZ3 LYS 59 -26.619 -22.901 -10.365 457 3HZ LYS 59 HZ2 LYS 59 -26.123 -21.841 -9.122 458 H GLU 60 HN GLU 60 -24.014 -18.245 -14.951 459 HA GLU 60 HA GLU 60 -25.701 -17.800 -16.431 460 1HB GLU 60 HB2 GLU 60 -27.437 -17.525 -13.963 461 2HB GLU 60 HB1 GLU 60 -27.994 -17.779 -15.612 462 1HG GLU 60 HG2 GLU 60 -26.599 -19.936 -15.586 463 2HG GLU 60 HG1 GLU 60 -26.479 -19.699 -13.842 464 H ALA 61 HN ALA 61 -24.094 -15.726 -16.104 465 HA ALA 61 HA ALA 61 -25.654 -13.311 -15.522 466 1HB ALA 61 HB2 ALA 61 -23.303 -13.607 -14.675 467 2HB ALA 61 HB1 ALA 61 -22.749 -13.531 -16.350 468 3HB ALA 61 HB3 ALA 61 -23.556 -12.142 -15.621 469 H ILE 62 HN ILE 62 -26.834 -12.469 -17.109 470 HA ILE 62 HA ILE 62 -26.257 -12.987 -19.923 471 HB ILE 62 HB ILE 62 -28.426 -11.430 -18.503 472 1HG1 ILE 62 HG12 ILE 62 -28.493 -14.062 -20.000 473 2HG1 ILE 62 HG11 ILE 62 -28.512 -13.882 -18.249 474 1HG2 ILE 62 HG23 ILE 62 -27.784 -11.697 -21.404 475 2HG2 ILE 62 HG22 ILE 62 -29.479 -11.679 -20.916 476 3HG2 ILE 62 HG21 ILE 62 -28.433 -10.317 -20.520 477 1HD1 ILE 62 HD12 ILE 62 -30.596 -12.242 -19.257 478 2HD1 ILE 62 HD11 ILE 62 -30.717 -13.796 -20.081 479 3HD1 ILE 62 HD13 ILE 62 -30.747 -13.728 -18.318 480 H CYS 63 HN CYS 63 -25.421 -11.503 -21.352 481 HA CYS 63 HA CYS 63 -24.638 -8.857 -20.266 482 1HB CYS 63 HB2 CYS 63 -22.856 -10.777 -20.593 483 2HB CYS 63 HB1 CYS 63 -22.922 -10.255 -22.268 484 HG CYS 63 HG CYS 63 -21.915 -8.534 -19.903 485 H GLU 64 HN GLU 64 -25.054 -7.149 -21.465 486 HA GLU 64 HA GLU 64 -25.842 -7.434 -24.311 487 1HB GLU 64 HB2 GLU 64 -27.122 -5.339 -22.580 488 2HB GLU 64 HB1 GLU 64 -27.743 -6.141 -24.021 489 1HG GLU 64 HG2 GLU 64 -27.899 -8.264 -22.622 490 2HG GLU 64 HG1 GLU 64 -27.572 -7.255 -21.213 491 H VAL 65 HN VAL 65 -24.819 -5.982 -25.640 492 HA VAL 65 HA VAL 65 -22.718 -4.339 -24.496 493 HB VAL 65 HB VAL 65 -23.527 -4.537 -27.395 494 1HG1 VAL 65 HG12 VAL 65 -20.985 -3.734 -25.979 495 2HG1 VAL 65 HG11 VAL 65 -21.060 -4.099 -27.703 496 3HG1 VAL 65 HG13 VAL 65 -21.990 -2.749 -27.049 497 1HG2 VAL 65 HG21 VAL 65 -21.864 -6.390 -25.707 498 2HG2 VAL 65 HG23 VAL 65 -23.192 -6.785 -26.795 499 3HG2 VAL 65 HG22 VAL 65 -21.641 -6.269 -27.454 500 H ALA 66 HN ALA 66 -22.637 -2.222 -24.250 501 HA ALA 66 HA ALA 66 -24.698 -0.437 -25.407 502 1HB ALA 66 HB1 ALA 66 -25.169 -1.010 -22.954 503 2HB ALA 66 HB3 ALA 66 -23.657 -0.185 -22.559 504 3HB ALA 66 HB2 ALA 66 -24.980 0.708 -23.311 505 H LEU 67 HN LEU 67 -22.841 -0.274 -26.939 506 HA LEU 67 HA LEU 67 -20.321 0.756 -26.158 507 1HB LEU 67 HB2 LEU 67 -21.298 -0.316 -28.449 508 2HB LEU 67 HB1 LEU 67 -21.210 1.382 -28.905 509 HG LEU 67 HG LEU 67 -18.811 1.049 -27.658 510 1HD1 LEU 67 HD12 LEU 67 -19.157 -1.346 -27.339 511 2HD1 LEU 67 HD11 LEU 67 -19.392 -1.551 -29.076 512 3HD1 LEU 67 HD13 LEU 67 -17.819 -1.046 -28.449 513 1HD2 LEU 67 HD22 LEU 67 -19.412 0.554 -30.574 514 2HD2 LEU 67 HD21 LEU 67 -19.129 2.124 -29.813 515 3HD2 LEU 67 HD23 LEU 67 -17.821 0.940 -29.907 516 H ASP 68 HN ASP 68 -23.316 2.435 -27.050 517 HA ASP 68 HA ASP 68 -21.959 4.989 -26.395 518 1HB ASP 68 HB2 ASP 68 -23.307 6.148 -28.089 519 2HB ASP 68 HB1 ASP 68 -22.241 4.950 -28.802 520 H TYR 69 HN TYR 69 -22.839 4.226 -24.278 521 HA TYR 69 HA TYR 69 -25.690 4.567 -23.838 522 1HB TYR 69 HB2 TYR 69 -24.565 2.854 -22.581 523 2HB TYR 69 HB1 TYR 69 -23.374 4.003 -21.988 524 HD1 TYR 69 HD1 TYR 69 -27.107 4.270 -22.136 525 HD2 TYR 69 HD2 TYR 69 -23.617 4.040 -19.676 526 HE1 TYR 69 HE1 TYR 69 -28.481 4.699 -20.139 527 HE2 TYR 69 HE2 TYR 69 -25.001 4.471 -17.684 528 HH TYR 69 HH TYR 69 -28.354 4.246 -17.681 529 H LYS 70 HN LYS 70 -22.930 6.476 -23.853 530 HA LYS 70 HA LYS 70 -24.149 8.960 -23.638 531 1HB LYS 70 HB2 LYS 70 -23.296 9.727 -21.402 532 2HB LYS 70 HB1 LYS 70 -24.605 8.567 -21.301 533 1HG LYS 70 HG2 LYS 70 -22.332 6.965 -21.268 534 2HG LYS 70 HG1 LYS 70 -21.849 8.373 -20.327 535 1HD LYS 70 HD2 LYS 70 -24.354 6.731 -19.857 536 2HD LYS 70 HD1 LYS 70 -22.862 6.570 -18.935 537 1HE LYS 70 HE2 LYS 70 -24.386 9.174 -19.142 538 2HE LYS 70 HE1 LYS 70 -24.685 8.000 -17.869 539 1HZ LYS 70 HZ3 LYS 70 -22.173 8.181 -17.449 540 2HZ LYS 70 HZ2 LYS 70 -22.281 9.622 -18.359 541 3HZ LYS 70 HZ1 LYS 70 -23.181 9.447 -16.923 542 H LYS 71 HN LYS 71 -21.901 10.367 -22.364 543 HA LYS 71 HA LYS 71 -20.085 10.395 -24.547 544 1HB LYS 71 HB2 LYS 71 -18.609 11.717 -22.873 545 2HB LYS 71 HB1 LYS 71 -20.135 12.409 -23.404 546 1HG LYS 71 HG2 LYS 71 -21.152 12.100 -21.349 547 2HG LYS 71 HG1 LYS 71 -20.117 10.742 -20.922 548 1HD LYS 71 HD2 LYS 71 -19.248 12.354 -19.529 549 2HD LYS 71 HD1 LYS 71 -18.227 12.597 -20.941 550 1HE LYS 71 HE2 LYS 71 -20.632 14.222 -20.102 551 2HE LYS 71 HE1 LYS 71 -18.956 14.758 -20.190 552 1HZ LYS 71 HZ1 LYS 71 -19.339 13.987 -22.703 553 2HZ LYS 71 HZ3 LYS 71 -20.925 14.459 -22.308 554 3HZ LYS 71 HZ2 LYS 71 -19.642 15.573 -22.157 555 H LYS 72 HN LYS 72 -20.318 8.402 -21.840 556 HA LYS 72 HA LYS 72 -17.557 7.399 -21.917 557 1HB LYS 72 HB2 LYS 72 -19.938 6.666 -20.167 558 2HB LYS 72 HB1 LYS 72 -18.338 5.959 -20.028 559 1HG LYS 72 HG2 LYS 72 -18.428 8.918 -19.964 560 2HG LYS 72 HG1 LYS 72 -19.170 8.102 -18.592 561 1HD LYS 72 HD2 LYS 72 -16.952 6.712 -18.555 562 2HD LYS 72 HD1 LYS 72 -16.303 8.047 -19.506 563 1HE LYS 72 HE2 LYS 72 -16.493 9.562 -17.773 564 2HE LYS 72 HE1 LYS 72 -17.794 8.670 -16.990 565 1HZ LYS 72 HZ3 LYS 72 -15.163 7.399 -17.168 566 2HZ LYS 72 HZ2 LYS 72 -15.376 8.651 -16.027 567 3HZ LYS 72 HZ1 LYS 72 -16.358 7.257 -15.961 568 H LYS 73 HN LYS 73 -17.126 5.863 -23.416 569 HA LYS 73 HA LYS 73 -19.307 4.247 -24.505 570 1HB LYS 73 HB2 LYS 73 -16.537 4.439 -25.663 571 2HB LYS 73 HB1 LYS 73 -18.050 4.048 -26.469 572 1HG LYS 73 HG2 LYS 73 -17.907 6.182 -27.197 573 2HG LYS 73 HG1 LYS 73 -18.628 6.550 -25.633 574 1HD LYS 73 HD2 LYS 73 -16.570 7.218 -24.709 575 2HD LYS 73 HD1 LYS 73 -15.634 6.374 -25.938 576 1HE LYS 73 HE2 LYS 73 -17.360 8.808 -26.450 577 2HE LYS 73 HE1 LYS 73 -15.616 8.846 -26.207 578 1HZ LYS 73 HZ3 LYS 73 -15.977 6.963 -28.145 579 2HZ LYS 73 HZ2 LYS 73 -17.112 8.176 -28.541 580 3HZ LYS 73 HZ1 LYS 73 -15.457 8.565 -28.383 581 H HIS 74 HN HIS 74 -18.345 2.200 -25.430 582 HA HIS 74 HA HIS 74 -17.774 0.012 -25.092 583 1HB HIS 74 HB2 HIS 74 -15.506 1.219 -23.493 584 2HB HIS 74 HB1 HIS 74 -15.563 -0.420 -24.126 585 HD1 HIS 74 HD1 HIS 74 -14.320 2.824 -24.925 586 HD2 HIS 74 HD2 HIS 74 -15.794 -0.327 -27.163 587 HE1 HIS 74 HE1 HIS 74 -13.556 3.282 -27.265 588 H VAL 75 HN VAL 75 -19.848 0.574 -23.590 589 HA VAL 75 HA VAL 75 -19.295 -0.509 -20.890 590 HB VAL 75 HB VAL 75 -21.692 1.094 -21.803 591 1HG1 VAL 75 HG11 VAL 75 -20.742 0.196 -19.086 592 2HG1 VAL 75 HG13 VAL 75 -21.966 1.444 -19.323 593 3HG1 VAL 75 HG12 VAL 75 -22.268 -0.199 -19.886 594 1HG2 VAL 75 HG21 VAL 75 -19.028 1.969 -20.907 595 2HG2 VAL 75 HG23 VAL 75 -20.252 2.831 -21.838 596 3HG2 VAL 75 HG22 VAL 75 -20.383 2.737 -20.083 597 H PHE 76 HN PHE 76 -20.762 -2.125 -20.107 598 HA PHE 76 HA PHE 76 -22.624 -3.279 -22.050 599 1HB PHE 76 HB2 PHE 76 -21.795 -5.569 -21.621 600 2HB PHE 76 HB1 PHE 76 -20.646 -4.564 -22.486 601 HD1 PHE 76 HD1 PHE 76 -18.578 -3.806 -21.415 602 HD2 PHE 76 HD2 PHE 76 -21.326 -6.381 -19.400 603 HE1 PHE 76 HE1 PHE 76 -16.826 -4.404 -19.788 604 HE2 PHE 76 HE2 PHE 76 -19.577 -6.977 -17.773 605 HZ PHE 76 HZ PHE 76 -17.321 -5.996 -17.968 606 H LYS 77 HN LYS 77 -24.373 -4.146 -21.189 607 HA LYS 77 HA LYS 77 -24.882 -3.642 -18.358 608 1HB LYS 77 HB2 LYS 77 -26.458 -2.934 -20.183 609 2HB LYS 77 HB1 LYS 77 -26.763 -4.639 -20.501 610 1HG LYS 77 HG2 LYS 77 -28.014 -4.934 -18.613 611 2HG LYS 77 HG1 LYS 77 -27.084 -3.763 -17.683 612 1HD LYS 77 HD2 LYS 77 -29.232 -2.808 -17.966 613 2HD LYS 77 HD1 LYS 77 -28.169 -1.953 -19.081 614 1HE LYS 77 HE2 LYS 77 -30.132 -2.418 -20.325 615 2HE LYS 77 HE1 LYS 77 -28.955 -3.605 -20.871 616 1HZ LYS 77 HZ3 LYS 77 -30.457 -4.561 -18.644 617 2HZ LYS 77 HZ2 LYS 77 -31.475 -4.094 -19.930 618 3HZ LYS 77 HZ1 LYS 77 -30.245 -5.244 -20.191 619 H LEU 78 HN LEU 78 -24.423 -5.167 -16.965 620 HA LEU 78 HA LEU 78 -24.512 -8.008 -17.715 621 1HB LEU 78 HB2 LEU 78 -22.849 -6.417 -15.978 622 2HB LEU 78 HB1 LEU 78 -23.589 -7.713 -15.053 623 HG LEU 78 HG LEU 78 -21.918 -7.967 -17.544 624 1HD1 LEU 78 HD22 LEU 78 -21.532 -8.685 -14.654 625 2HD1 LEU 78 HD21 LEU 78 -20.602 -9.475 -15.924 626 3HD1 LEU 78 HD23 LEU 78 -20.488 -7.727 -15.706 627 1HD2 LEU 78 HD13 LEU 78 -23.979 -9.735 -16.552 628 2HD2 LEU 78 HD12 LEU 78 -23.000 -9.865 -18.016 629 3HD2 LEU 78 HD11 LEU 78 -22.402 -10.520 -16.489 630 H ARG 79 HN ARG 79 -26.348 -9.009 -17.323 631 HA ARG 79 HA ARG 79 -28.029 -8.186 -15.024 632 1HB ARG 79 HB2 ARG 79 -29.079 -7.841 -17.225 633 2HB ARG 79 HB1 ARG 79 -28.843 -9.540 -17.606 634 1HG ARG 79 HG2 ARG 79 -30.174 -9.583 -15.150 635 2HG ARG 79 HG1 ARG 79 -30.938 -8.259 -16.017 636 1HD ARG 79 HD2 ARG 79 -30.496 -10.829 -17.481 637 2HD ARG 79 HD1 ARG 79 -31.777 -10.772 -16.274 638 HE ARG 79 HE ARG 79 -33.034 -9.479 -17.719 639 1HH1 ARG 79 HH21 ARG 79 -30.974 -7.246 -18.039 640 2HH1 ARG 79 HH22 ARG 79 -30.664 -7.280 -19.759 641 1HH2 ARG 79 HH11 ARG 79 -32.185 -10.419 -20.240 642 2HH2 ARG 79 HH12 ARG 79 -31.364 -9.092 -21.009 643 H LEU 80 HN LEU 80 -27.643 -9.498 -13.393 644 HA LEU 80 HA LEU 80 -26.810 -12.260 -13.733 645 1HB LEU 80 HB2 LEU 80 -27.520 -10.688 -11.243 646 2HB LEU 80 HB1 LEU 80 -26.801 -12.295 -11.269 647 HG LEU 80 HG LEU 80 -25.564 -9.721 -12.256 648 1HD1 LEU 80 HD11 LEU 80 -24.827 -11.613 -10.023 649 2HD1 LEU 80 HD13 LEU 80 -23.849 -10.240 -10.541 650 3HD1 LEU 80 HD12 LEU 80 -25.450 -9.972 -9.856 651 1HD2 LEU 80 HD23 LEU 80 -24.699 -12.576 -12.617 652 2HD2 LEU 80 HD22 LEU 80 -24.786 -11.280 -13.815 653 3HD2 LEU 80 HD21 LEU 80 -23.525 -11.259 -12.585 654 H SER 81 HN SER 81 -27.977 -14.064 -12.828 655 HA SER 81 HA SER 81 -30.838 -13.939 -13.302 656 1HB SER 81 HB2 SER 81 -28.973 -16.180 -12.502 657 2HB SER 81 HB1 SER 81 -30.710 -16.394 -12.705 658 HG SER 81 HG SER 81 -28.837 -15.548 -14.686 659 H ASP 82 HN ASP 82 -30.052 -12.269 -11.213 660 HA ASP 82 HA ASP 82 -31.653 -13.332 -9.006 661 1HB ASP 82 HB2 ASP 82 -29.084 -13.731 -8.639 662 2HB ASP 82 HB1 ASP 82 -29.025 -11.996 -8.349 663 H GLY 83 HN GLY 83 -31.980 -11.317 -11.130 664 1HA GLY 83 HA2 GLY 83 -33.128 -9.321 -11.272 665 2HA GLY 83 HA1 GLY 83 -33.014 -9.156 -9.526 666 H ASN 84 HN ASN 84 -30.165 -9.282 -9.317 667 HA ASN 84 HA ASN 84 -29.446 -6.613 -9.481 668 1HB ASN 84 HB2 ASN 84 -27.680 -9.062 -9.432 669 2HB ASN 84 HB1 ASN 84 -27.079 -7.413 -9.259 670 1HD2 ASN 84 HD22 ASN 84 -27.591 -7.602 -5.817 671 2HD2 ASN 84 HD21 ASN 84 -26.532 -7.261 -7.148 672 H GLU 85 HN GLU 85 -28.990 -5.289 -11.047 673 HA GLU 85 HA GLU 85 -27.820 -6.243 -13.585 674 1HB GLU 85 HB2 GLU 85 -30.196 -4.503 -13.060 675 2HB GLU 85 HB1 GLU 85 -29.146 -4.049 -14.407 676 1HG GLU 85 HG2 GLU 85 -29.373 -6.557 -15.096 677 2HG GLU 85 HG1 GLU 85 -30.762 -6.554 -14.015 678 H TYR 86 HN TYR 86 -25.861 -5.399 -13.915 679 HA TYR 86 HA TYR 86 -25.183 -2.738 -12.767 680 1HB TYR 86 HB2 TYR 86 -23.284 -5.067 -13.122 681 2HB TYR 86 HB1 TYR 86 -22.922 -3.515 -12.391 682 HD1 TYR 86 HD1 TYR 86 -23.780 -2.944 -10.158 683 HD2 TYR 86 HD2 TYR 86 -24.394 -6.799 -11.888 684 HE1 TYR 86 HE1 TYR 86 -24.416 -3.835 -7.952 685 HE2 TYR 86 HE2 TYR 86 -25.012 -7.688 -9.674 686 HH TYR 86 HH TYR 86 -24.790 -7.246 -7.387 687 H LEU 87 HN LEU 87 -23.882 -1.392 -13.996 688 HA LEU 87 HA LEU 87 -23.534 -2.127 -16.851 689 1HB LEU 87 HB2 LEU 87 -23.311 0.638 -15.621 690 2HB LEU 87 HB1 LEU 87 -23.335 0.234 -17.330 691 HG LEU 87 HG LEU 87 -25.596 0.126 -15.356 692 1HD1 LEU 87 HD12 LEU 87 -25.226 1.538 -18.002 693 2HD1 LEU 87 HD11 LEU 87 -26.685 1.591 -17.011 694 3HD1 LEU 87 HD13 LEU 87 -25.183 2.278 -16.397 695 1HD2 LEU 87 HD21 LEU 87 -25.279 -1.361 -17.916 696 2HD2 LEU 87 HD23 LEU 87 -26.176 -1.794 -16.454 697 3HD2 LEU 87 HD22 LEU 87 -26.845 -0.621 -17.581 698 H PHE 88 HN PHE 88 -21.522 -2.714 -17.391 699 HA PHE 88 HA PHE 88 -19.261 -1.811 -15.700 700 1HB PHE 88 HB2 PHE 88 -19.797 -4.375 -17.144 701 2HB PHE 88 HB1 PHE 88 -18.145 -3.892 -16.788 702 HD1 PHE 88 HD1 PHE 88 -17.468 -3.501 -14.402 703 HD2 PHE 88 HD2 PHE 88 -21.180 -5.311 -15.471 704 HE1 PHE 88 HE1 PHE 88 -17.668 -4.419 -12.127 705 HE2 PHE 88 HE2 PHE 88 -21.387 -6.229 -13.194 706 HZ PHE 88 HZ PHE 88 -19.641 -5.782 -11.525 707 H GLN 89 HN GLN 89 -17.688 -0.675 -16.629 708 HA GLN 89 HA GLN 89 -17.708 -0.367 -19.578 709 1HB GLN 89 HB2 GLN 89 -18.242 1.751 -18.874 710 2HB GLN 89 HB1 GLN 89 -17.386 1.590 -17.351 711 1HG GLN 89 HG2 GLN 89 -15.255 1.940 -18.410 712 2HG GLN 89 HG1 GLN 89 -15.973 1.820 -20.019 713 1HE2 GLN 89 HE22 GLN 89 -16.797 5.190 -20.176 714 2HE2 GLN 89 HE21 GLN 89 -16.651 3.657 -20.966 715 H ALA 90 HN ALA 90 -15.938 -0.825 -20.672 716 HA ALA 90 HA ALA 90 -13.490 -1.640 -19.227 717 1HB ALA 90 HB2 ALA 90 -14.364 -2.195 -22.072 718 2HB ALA 90 HB1 ALA 90 -12.881 -2.789 -21.320 719 3HB ALA 90 HB3 ALA 90 -14.453 -3.326 -20.720 720 H LYS 91 HN LYS 91 -11.407 -1.147 -20.438 721 HA LYS 91 HA LYS 91 -11.309 1.702 -21.005 722 1HB LYS 91 HB2 LYS 91 -9.125 -0.387 -20.925 723 2HB LYS 91 HB1 LYS 91 -8.866 1.345 -21.089 724 1HG LYS 91 HG2 LYS 91 -8.928 1.584 -18.872 725 2HG LYS 91 HG1 LYS 91 -10.562 0.938 -18.831 726 1HD LYS 91 HD2 LYS 91 -9.118 -0.354 -17.357 727 2HD LYS 91 HD1 LYS 91 -9.621 -1.362 -18.709 728 1HE LYS 91 HE2 LYS 91 -7.092 0.155 -19.056 729 2HE LYS 91 HE1 LYS 91 -7.058 -1.156 -17.885 730 1HZ LYS 91 HZ3 LYS 91 -8.339 -2.185 -20.088 731 2HZ LYS 91 HZ2 LYS 91 -7.036 -1.272 -20.719 732 3HZ LYS 91 HZ1 LYS 91 -6.745 -2.508 -19.581 733 H ASP 92 HN ASP 92 -10.550 -1.309 -22.752 734 HA ASP 92 HA ASP 92 -10.529 0.212 -25.310 735 1HB ASP 92 HB2 ASP 92 -8.419 -1.083 -24.558 736 2HB ASP 92 HB1 ASP 92 -9.343 -2.538 -24.931 737 H ASP 93 HN ASP 93 -11.433 -0.788 -27.148 738 HA ASP 93 HA ASP 93 -14.000 -1.948 -26.791 739 1HB ASP 93 HB2 ASP 93 -13.283 -0.559 -28.754 740 2HB ASP 93 HB1 ASP 93 -12.290 -1.907 -29.300 741 H GLU 94 HN GLU 94 -10.815 -3.295 -27.580 742 HA GLU 94 HA GLU 94 -11.721 -5.964 -28.120 743 1HB GLU 94 HB2 GLU 94 -9.444 -4.788 -28.700 744 2HB GLU 94 HB1 GLU 94 -8.955 -5.365 -27.111 745 1HG GLU 94 HG2 GLU 94 -10.054 -7.634 -28.109 746 2HG GLU 94 HG1 GLU 94 -9.512 -6.882 -29.608 747 H GLU 95 HN GLU 95 -10.474 -4.281 -25.270 748 HA GLU 95 HA GLU 95 -10.393 -6.506 -23.507 749 1HB GLU 95 HB2 GLU 95 -9.391 -4.115 -23.239 750 2HB GLU 95 HB1 GLU 95 -10.970 -3.712 -22.568 751 1HG GLU 95 HG2 GLU 95 -10.661 -5.704 -21.007 752 2HG GLU 95 HG1 GLU 95 -8.993 -5.772 -21.566 753 H MET 96 HN MET 96 -12.909 -4.175 -24.369 754 HA MET 96 HA MET 96 -14.870 -4.833 -22.458 755 1HB MET 96 HB2 MET 96 -14.895 -2.914 -24.145 756 2HB MET 96 HB1 MET 96 -15.457 -4.085 -25.329 757 1HG MET 96 HG2 MET 96 -17.285 -4.635 -23.552 758 2HG MET 96 HG1 MET 96 -16.844 -3.075 -22.869 759 1HE MET 96 HE3 MET 96 -17.734 -4.988 -25.999 760 2HE MET 96 HE2 MET 96 -18.735 -3.901 -26.955 761 3HE MET 96 HE1 MET 96 -16.984 -3.724 -26.982 762 H ASN 97 HN ASN 97 -14.327 -6.149 -25.742 763 HA ASN 97 HA ASN 97 -16.388 -8.104 -25.661 764 1HB ASN 97 HB2 ASN 97 -15.082 -7.273 -27.710 765 2HB ASN 97 HB1 ASN 97 -13.813 -8.395 -27.228 766 1HD2 ASN 97 HD22 ASN 97 -15.392 -10.945 -29.021 767 2HD2 ASN 97 HD21 ASN 97 -13.940 -10.083 -28.609 768 H THR 98 HN THR 98 -12.937 -8.252 -24.788 769 HA THR 98 HA THR 98 -12.756 -11.005 -24.204 770 HB THR 98 HB THR 98 -11.225 -8.820 -22.786 771 HG1 THR 98 HG1 THR 98 -11.083 -8.413 -25.007 772 1HG2 THR 98 HG22 THR 98 -10.685 -11.717 -23.410 773 2HG2 THR 98 HG21 THR 98 -9.394 -10.589 -22.996 774 3HG2 THR 98 HG23 THR 98 -10.683 -10.910 -21.839 775 H TRP 99 HN TRP 99 -13.718 -8.252 -22.183 776 HA TRP 99 HA TRP 99 -13.952 -9.694 -19.730 777 1HB TRP 99 HB2 TRP 99 -14.746 -7.004 -20.730 778 2HB TRP 99 HB1 TRP 99 -15.620 -7.611 -19.334 779 HD1 TRP 99 HD1 TRP 99 -12.739 -5.527 -20.030 780 HE1 TRP 99 HE1 TRP 99 -11.124 -5.493 -18.052 781 HE3 TRP 99 HE3 TRP 99 -14.486 -9.556 -17.360 782 HZ2 TRP 99 HZ2 TRP 99 -10.626 -6.935 -15.702 783 HZ3 TRP 99 HZ3 TRP 99 -13.379 -10.161 -15.244 784 HH2 TRP 99 HH2 TRP 99 -11.466 -8.862 -14.423 785 H ILE 100 HN ILE 100 -16.349 -8.709 -22.185 786 HA ILE 100 HA ILE 100 -18.650 -9.758 -20.937 787 HB ILE 100 HB ILE 100 -17.971 -9.290 -23.845 788 1HG1 ILE 100 HG12 ILE 100 -19.726 -7.757 -21.914 789 2HG1 ILE 100 HG11 ILE 100 -18.091 -7.306 -22.363 790 1HG2 ILE 100 HG23 ILE 100 -20.420 -10.454 -22.615 791 2HG2 ILE 100 HG22 ILE 100 -20.637 -9.281 -23.909 792 3HG2 ILE 100 HG21 ILE 100 -19.696 -10.748 -24.195 793 1HD1 ILE 100 HD12 ILE 100 -18.952 -7.320 -24.791 794 2HD1 ILE 100 HD11 ILE 100 -20.565 -7.323 -24.074 795 3HD1 ILE 100 HD13 ILE 100 -19.460 -5.987 -23.750 796 H GLN 101 HN GLN 101 -16.356 -11.259 -23.214 797 HA GLN 101 HA GLN 101 -17.678 -13.785 -23.403 798 1HB GLN 101 HB2 GLN 101 -14.833 -12.926 -23.938 799 2HB GLN 101 HB1 GLN 101 -15.408 -14.573 -24.207 800 1HG GLN 101 HG2 GLN 101 -17.150 -13.688 -25.741 801 2HG GLN 101 HG1 GLN 101 -16.492 -12.068 -25.523 802 1HE2 GLN 101 HE22 GLN 101 -15.039 -13.937 -28.532 803 2HE2 GLN 101 HE21 GLN 101 -16.666 -13.827 -27.925 804 H ALA 102 HN ALA 102 -15.141 -12.516 -21.273 805 HA ALA 102 HA ALA 102 -14.488 -14.929 -19.918 806 1HB ALA 102 HB3 ALA 102 -13.074 -12.909 -19.830 807 2HB ALA 102 HB2 ALA 102 -14.325 -12.069 -18.918 808 3HB ALA 102 HB1 ALA 102 -13.504 -13.461 -18.213 809 H ILE 103 HN ILE 103 -16.834 -12.368 -19.297 810 HA ILE 103 HA ILE 103 -17.840 -13.304 -16.811 811 HB ILE 103 HB ILE 103 -18.665 -11.359 -18.915 812 1HG1 ILE 103 HG12 ILE 103 -18.673 -10.848 -15.976 813 2HG1 ILE 103 HG11 ILE 103 -17.127 -11.073 -16.785 814 1HG2 ILE 103 HG22 ILE 103 -20.535 -12.309 -16.743 815 2HG2 ILE 103 HG21 ILE 103 -20.715 -10.794 -17.627 816 3HG2 ILE 103 HG23 ILE 103 -20.810 -12.326 -18.488 817 1HD1 ILE 103 HD13 ILE 103 -19.026 -9.217 -18.105 818 2HD1 ILE 103 HD12 ILE 103 -18.326 -8.678 -16.575 819 3HD1 ILE 103 HD11 ILE 103 -17.274 -9.109 -17.921 820 H SER 104 HN SER 104 -18.713 -13.966 -20.169 821 HA SER 104 HA SER 104 -21.111 -15.440 -19.622 822 1HB SER 104 HB2 SER 104 -19.334 -15.643 -22.064 823 2HB SER 104 HB1 SER 104 -21.041 -16.068 -21.946 824 HG SER 104 HG SER 104 -19.996 -13.440 -21.546 825 H SER 105 HN SER 105 -17.711 -16.253 -19.889 826 HA SER 105 HA SER 105 -18.079 -19.125 -19.848 827 1HB SER 105 HB2 SER 105 -15.554 -17.546 -19.310 828 2HB SER 105 HB1 SER 105 -15.679 -19.228 -19.815 829 HG SER 105 HG SER 105 -16.433 -16.925 -21.328 830 H ALA 106 HN ALA 106 -16.924 -16.652 -17.562 831 HA ALA 106 HA ALA 106 -16.838 -16.526 -15.297 832 1HB ALA 106 HB2 ALA 106 -19.275 -17.358 -15.699 833 2HB ALA 106 HB1 ALA 106 -18.681 -18.887 -15.046 834 3HB ALA 106 HB3 ALA 106 -18.598 -17.416 -14.074 No H/Q in entry = 834 Start of MODEL 31 1 1H MET 1 HT2 MET 1 -9.629 -10.391 -17.772 2 2H MET 1 HT1 MET 1 -9.054 -11.762 -18.614 3 3H MET 1 HT3 MET 1 -10.718 -11.404 -18.610 4 HA MET 1 HA MET 1 -11.033 -12.584 -16.808 5 1HB MET 1 HB2 MET 1 -9.220 -13.983 -17.713 6 2HB MET 1 HB1 MET 1 -8.036 -13.028 -16.826 7 1HG MET 1 HG2 MET 1 -10.270 -14.217 -15.258 8 2HG MET 1 HG1 MET 1 -9.063 -15.324 -15.892 9 1HE MET 1 HE3 MET 1 -8.909 -15.995 -13.379 10 2HE MET 1 HE2 MET 1 -7.286 -16.115 -14.054 11 3HE MET 1 HE1 MET 1 -7.517 -15.384 -12.469 12 H GLU 2 HN GLU 2 -8.098 -10.626 -16.323 13 HA GLU 2 HA GLU 2 -9.217 -9.601 -13.788 14 1HB GLU 2 HB2 GLU 2 -7.757 -11.135 -12.867 15 2HB GLU 2 HB1 GLU 2 -6.659 -11.080 -14.226 16 1HG GLU 2 HG2 GLU 2 -6.621 -8.534 -12.878 17 2HG GLU 2 HG1 GLU 2 -6.374 -9.836 -11.723 18 H GLY 3 HN GLY 3 -9.059 -7.430 -13.633 19 1HA GLY 3 HA2 GLY 3 -7.031 -5.736 -14.369 20 2HA GLY 3 HA1 GLY 3 -8.010 -5.884 -15.828 21 H PHE 4 HN PHE 4 -7.822 -3.429 -14.853 22 HA PHE 4 HA PHE 4 -9.829 -2.745 -12.900 23 1HB PHE 4 HB2 PHE 4 -8.001 -1.229 -14.703 24 2HB PHE 4 HB1 PHE 4 -9.386 -0.387 -14.030 25 HD1 PHE 4 HD1 PHE 4 -9.719 -0.762 -11.406 26 HD2 PHE 4 HD2 PHE 4 -6.023 -1.171 -13.510 27 HE1 PHE 4 HE1 PHE 4 -8.481 -0.404 -9.305 28 HE2 PHE 4 HE2 PHE 4 -4.789 -0.808 -11.410 29 HZ PHE 4 HZ PHE 4 -6.043 -0.411 -9.297 30 H LEU 5 HN LEU 5 -11.774 -1.675 -13.242 31 HA LEU 5 HA LEU 5 -12.899 -1.373 -15.916 32 1HB LEU 5 HB2 LEU 5 -13.525 -3.651 -14.139 33 2HB LEU 5 HB1 LEU 5 -14.940 -2.767 -14.689 34 HG LEU 5 HG LEU 5 -12.830 -3.964 -16.481 35 1HD1 LEU 5 HD13 LEU 5 -15.543 -4.900 -15.598 36 2HD1 LEU 5 HD12 LEU 5 -14.862 -5.408 -17.143 37 3HD1 LEU 5 HD11 LEU 5 -14.017 -5.791 -15.638 38 1HD2 LEU 5 HD21 LEU 5 -15.236 -2.282 -17.001 39 2HD2 LEU 5 HD23 LEU 5 -13.637 -2.220 -17.746 40 3HD2 LEU 5 HD22 LEU 5 -14.762 -3.511 -18.178 41 H ASN 6 HN ASN 6 -14.680 0.027 -15.914 42 HA ASN 6 HA ASN 6 -15.139 1.560 -13.444 43 1HB ASN 6 HB2 ASN 6 -15.174 2.195 -16.242 44 2HB ASN 6 HB1 ASN 6 -16.781 2.473 -15.597 45 1HD2 ASN 6 HD22 ASN 6 -13.859 5.085 -14.796 46 2HD2 ASN 6 HD21 ASN 6 -13.709 3.786 -15.935 47 H ARG 7 HN ARG 7 -16.904 1.217 -12.190 48 HA ARG 7 HA ARG 7 -19.022 -0.582 -13.251 49 1HB ARG 7 HB2 ARG 7 -17.425 -1.586 -11.597 50 2HB ARG 7 HB1 ARG 7 -18.007 -0.428 -10.405 51 1HG ARG 7 HG2 ARG 7 -20.240 -1.350 -10.520 52 2HG ARG 7 HG1 ARG 7 -19.779 -2.406 -11.854 53 1HD ARG 7 HD2 ARG 7 -19.114 -3.983 -10.402 54 2HD ARG 7 HD1 ARG 7 -17.950 -2.860 -9.701 55 HE ARG 7 HE ARG 7 -20.758 -2.772 -8.796 56 1HH1 ARG 7 HH21 ARG 7 -19.224 -1.189 -7.026 57 2HH1 ARG 7 HH22 ARG 7 -18.639 -2.272 -5.799 58 1HH2 ARG 7 HH11 ARG 7 -19.122 -5.164 -7.729 59 2HH2 ARG 7 HH12 ARG 7 -18.587 -4.546 -6.194 60 H LYS 8 HN LYS 8 -20.953 0.298 -13.335 61 HA LYS 8 HA LYS 8 -21.701 2.505 -11.494 62 1HB LYS 8 HB2 LYS 8 -21.737 2.823 -14.079 63 2HB LYS 8 HB1 LYS 8 -23.168 1.816 -14.025 64 1HG LYS 8 HG2 LYS 8 -23.875 3.537 -12.126 65 2HG LYS 8 HG1 LYS 8 -22.770 4.583 -13.011 66 1HD LYS 8 HD2 LYS 8 -24.813 5.013 -14.051 67 2HD LYS 8 HD1 LYS 8 -24.086 3.820 -15.113 68 1HE LYS 8 HE2 LYS 8 -25.460 2.061 -14.223 69 2HE LYS 8 HE1 LYS 8 -26.018 3.084 -12.905 70 1HZ LYS 8 HZ2 LYS 8 -26.550 4.059 -15.599 71 2HZ LYS 8 HZ1 LYS 8 -27.419 2.677 -15.111 72 3HZ LYS 8 HZ3 LYS 8 -27.524 4.114 -14.198 73 H HIS 9 HN HIS 9 -22.763 1.580 -9.811 74 HA HIS 9 HA HIS 9 -24.296 -0.860 -10.169 75 1HB HIS 9 HB2 HIS 9 -24.750 -0.625 -7.702 76 2HB HIS 9 HB1 HIS 9 -23.067 -0.791 -8.158 77 HD1 HIS 9 HD1 HIS 9 -23.232 0.231 -5.514 78 HD2 HIS 9 HD2 HIS 9 -23.680 2.844 -8.699 79 HE1 HIS 9 HE1 HIS 9 -22.650 2.488 -4.600 80 H GLU 10 HN GLU 10 -26.017 -0.465 -11.389 81 HA GLU 10 HA GLU 10 -27.837 1.737 -11.085 82 1HB GLU 10 HB2 GLU 10 -27.301 -0.052 -13.069 83 2HB GLU 10 HB1 GLU 10 -28.759 -0.766 -12.393 84 1HG GLU 10 HG2 GLU 10 -30.047 1.170 -12.851 85 2HG GLU 10 HG1 GLU 10 -28.613 2.149 -13.152 86 H TRP 11 HN TRP 11 -27.912 -1.704 -10.306 87 HA TRP 11 HA TRP 11 -29.832 -1.218 -8.128 88 1HB TRP 11 HB2 TRP 11 -31.003 -2.094 -10.202 89 2HB TRP 11 HB1 TRP 11 -30.031 -3.547 -10.059 90 HD1 TRP 11 HD1 TRP 11 -33.047 -1.803 -8.505 91 HE1 TRP 11 HE1 TRP 11 -34.161 -3.410 -6.866 92 HE3 TRP 11 HE3 TRP 11 -29.577 -5.547 -8.473 93 HZ2 TRP 11 HZ2 TRP 11 -33.665 -5.908 -5.685 94 HZ3 TRP 11 HZ3 TRP 11 -29.955 -7.523 -7.055 95 HH2 TRP 11 HH2 TRP 11 -31.977 -7.708 -5.679 96 H GLU 12 HN GLU 12 -28.637 -1.687 -6.409 97 HA GLU 12 HA GLU 12 -26.710 -3.927 -6.480 98 1HB GLU 12 HB2 GLU 12 -25.992 -1.583 -5.785 99 2HB GLU 12 HB1 GLU 12 -26.992 -1.792 -4.354 100 1HG GLU 12 HG2 GLU 12 -25.369 -2.956 -3.333 101 2HG GLU 12 HG1 GLU 12 -25.308 -4.108 -4.663 102 H ALA 13 HN ALA 13 -29.273 -2.476 -4.546 103 HA ALA 13 HA ALA 13 -30.489 -4.963 -3.864 104 1HB ALA 13 HB1 ALA 13 -28.538 -5.017 -2.292 105 2HB ALA 13 HB3 ALA 13 -29.107 -3.498 -1.596 106 3HB ALA 13 HB2 ALA 13 -30.090 -4.957 -1.463 107 H HIS 14 HN HIS 14 -31.193 -3.389 -1.212 108 HA HIS 14 HA HIS 14 -32.859 -2.032 -0.474 109 1HB HIS 14 HB2 HIS 14 -32.429 -0.473 -3.034 110 2HB HIS 14 HB1 HIS 14 -33.221 0.095 -1.574 111 HD1 HIS 14 HD1 HIS 14 -30.897 -1.221 0.285 112 HD2 HIS 14 HD2 HIS 14 -30.421 1.500 -2.795 113 HE1 HIS 14 HE1 HIS 14 -28.709 -0.090 0.747 114 H ASN 15 HN ASN 15 -33.917 -1.239 -3.731 115 HA ASN 15 HA ASN 15 -35.850 -3.381 -3.843 116 1HB ASN 15 HB2 ASN 15 -36.861 -1.833 -2.160 117 2HB ASN 15 HB1 ASN 15 -36.890 -0.571 -3.385 118 1HD2 ASN 15 HD22 ASN 15 -39.377 -3.825 -3.855 119 2HD2 ASN 15 HD21 ASN 15 -37.848 -3.999 -3.047 120 H LYS 16 HN LYS 16 -35.774 0.003 -5.054 121 HA LYS 16 HA LYS 16 -36.150 -1.052 -7.786 122 1HB LYS 16 HB2 LYS 16 -36.799 1.564 -6.474 123 2HB LYS 16 HB1 LYS 16 -36.673 1.453 -8.226 124 1HG LYS 16 HG2 LYS 16 -38.289 -0.718 -7.134 125 2HG LYS 16 HG1 LYS 16 -38.920 0.858 -6.665 126 1HD LYS 16 HD2 LYS 16 -39.978 0.330 -8.717 127 2HD LYS 16 HD1 LYS 16 -38.744 1.520 -9.116 128 1HE LYS 16 HE2 LYS 16 -37.282 -0.668 -9.531 129 2HE LYS 16 HE1 LYS 16 -38.867 -1.399 -9.765 130 1HZ LYS 16 HZ3 LYS 16 -39.266 0.548 -11.342 131 2HZ LYS 16 HZ2 LYS 16 -37.572 0.766 -11.303 132 3HZ LYS 16 HZ1 LYS 16 -38.235 -0.702 -11.866 133 H LYS 17 HN LYS 17 -33.827 0.762 -5.881 134 HA LYS 17 HA LYS 17 -31.845 0.541 -7.964 135 1HB LYS 17 HB2 LYS 17 -31.505 2.995 -8.268 136 2HB LYS 17 HB1 LYS 17 -33.039 2.430 -8.912 137 1HG LYS 17 HG2 LYS 17 -34.254 3.297 -7.023 138 2HG LYS 17 HG1 LYS 17 -32.761 3.669 -6.165 139 1HD LYS 17 HD2 LYS 17 -32.393 5.087 -8.466 140 2HD LYS 17 HD1 LYS 17 -34.142 5.174 -8.292 141 1HE LYS 17 HE2 LYS 17 -33.552 7.011 -7.053 142 2HE LYS 17 HE1 LYS 17 -33.526 5.787 -5.787 143 1HZ LYS 17 HZ3 LYS 17 -31.138 6.617 -7.343 144 2HZ LYS 17 HZ2 LYS 17 -31.554 7.262 -5.817 145 3HZ LYS 17 HZ1 LYS 17 -31.169 5.606 -5.969 146 H ALA 18 HN ALA 18 -29.958 2.110 -7.333 147 HA ALA 18 HA ALA 18 -29.253 1.510 -4.557 148 1HB ALA 18 HB3 ALA 18 -27.662 0.983 -6.383 149 2HB ALA 18 HB2 ALA 18 -27.592 2.697 -6.800 150 3HB ALA 18 HB1 ALA 18 -26.989 2.143 -5.238 151 H SER 19 HN SER 19 -27.627 3.499 -3.797 152 HA SER 19 HA SER 19 -29.422 5.634 -3.144 153 1HB SER 19 HB2 SER 19 -26.427 5.725 -2.754 154 2HB SER 19 HB1 SER 19 -27.687 6.510 -1.803 155 HG SER 19 HG SER 19 -27.092 3.719 -1.937 156 H SER 20 HN SER 20 -26.500 5.407 -5.140 157 HA SER 20 HA SER 20 -27.487 7.504 -6.900 158 1HB SER 20 HB2 SER 20 -24.729 7.676 -5.749 159 2HB SER 20 HB1 SER 20 -25.505 8.833 -6.813 160 HG SER 20 HG SER 20 -26.271 9.771 -5.097 161 H ARG 21 HN ARG 21 -26.426 7.486 -8.973 162 HA ARG 21 HA ARG 21 -25.383 4.837 -9.682 163 1HB ARG 21 HB2 ARG 21 -25.649 5.769 -12.051 164 2HB ARG 21 HB1 ARG 21 -27.122 5.518 -11.124 165 1HG ARG 21 HG2 ARG 21 -27.432 7.816 -10.752 166 2HG ARG 21 HG1 ARG 21 -25.758 8.202 -11.143 167 1HD ARG 21 HD2 ARG 21 -26.202 7.549 -13.509 168 2HD ARG 21 HD1 ARG 21 -27.897 7.288 -13.085 169 HE ARG 21 HE ARG 21 -26.913 9.935 -12.394 170 1HH1 ARG 21 HH11 ARG 21 -29.751 9.084 -13.363 171 2HH1 ARG 21 HH12 ARG 21 -29.819 9.909 -14.903 172 1HH2 ARG 21 HH21 ARG 21 -26.331 10.422 -15.067 173 2HH2 ARG 21 HH22 ARG 21 -27.852 10.629 -15.907 174 H SER 22 HN SER 22 -23.478 5.728 -8.284 175 HA SER 22 HA SER 22 -21.629 7.541 -9.510 176 1HB SER 22 HB2 SER 22 -20.801 5.537 -7.435 177 2HB SER 22 HB1 SER 22 -20.323 7.224 -7.622 178 HG SER 22 HG SER 22 -22.113 6.332 -5.969 179 H TRP 23 HN TRP 23 -19.825 7.140 -10.681 180 HA TRP 23 HA TRP 23 -19.497 4.452 -11.863 181 1HB TRP 23 HB2 TRP 23 -18.896 7.255 -12.724 182 2HB TRP 23 HB1 TRP 23 -17.825 5.987 -13.300 183 HD1 TRP 23 HD1 TRP 23 -21.076 7.613 -14.133 184 HE1 TRP 23 HE1 TRP 23 -22.240 6.285 -15.980 185 HE3 TRP 23 HE3 TRP 23 -18.237 3.373 -14.071 186 HZ2 TRP 23 HZ2 TRP 23 -22.010 3.765 -17.266 187 HZ3 TRP 23 HZ3 TRP 23 -18.741 1.552 -15.628 188 HH2 TRP 23 HH2 TRP 23 -20.613 1.736 -17.218 189 H HIS 24 HN HIS 24 -18.394 3.402 -10.243 190 HA HIS 24 HA HIS 24 -15.931 4.556 -9.149 191 1HB HIS 24 HB2 HIS 24 -17.733 3.492 -7.722 192 2HB HIS 24 HB1 HIS 24 -17.293 1.947 -8.442 193 HD1 HIS 24 HD1 HIS 24 -15.995 4.561 -6.106 194 HD2 HIS 24 HD2 HIS 24 -14.939 0.817 -7.501 195 HE1 HIS 24 HE1 HIS 24 -14.143 3.808 -4.593 196 H ASN 25 HN ASN 25 -13.932 3.823 -9.636 197 HA ASN 25 HA ASN 25 -13.593 1.828 -11.761 198 1HB ASN 25 HB2 ASN 25 -12.357 4.124 -11.572 199 2HB ASN 25 HB1 ASN 25 -11.355 3.315 -10.370 200 1HD2 ASN 25 HD22 ASN 25 -9.726 2.977 -13.704 201 2HD2 ASN 25 HD21 ASN 25 -10.246 4.300 -12.700 202 H VAL 26 HN VAL 26 -13.513 -0.240 -11.113 203 HA VAL 26 HA VAL 26 -12.138 -0.914 -8.571 204 HB VAL 26 HB VAL 26 -14.738 -1.057 -8.727 205 1HG1 VAL 26 HG12 VAL 26 -14.622 -2.384 -10.898 206 2HG1 VAL 26 HG11 VAL 26 -14.129 -3.756 -9.904 207 3HG1 VAL 26 HG13 VAL 26 -15.699 -2.998 -9.643 208 1HG2 VAL 26 HG21 VAL 26 -13.065 -2.060 -6.990 209 2HG2 VAL 26 HG23 VAL 26 -14.760 -2.562 -6.999 210 3HG2 VAL 26 HG22 VAL 26 -13.527 -3.595 -7.735 211 H TYR 27 HN TYR 27 -11.224 -3.033 -8.470 212 HA TYR 27 HA TYR 27 -10.135 -3.934 -11.059 213 1HB TYR 27 HB2 TYR 27 -8.718 -3.310 -8.973 214 2HB TYR 27 HB1 TYR 27 -9.210 -4.875 -8.351 215 HD1 TYR 27 HD2 TYR 27 -8.550 -6.950 -9.563 216 HD2 TYR 27 HD1 TYR 27 -7.081 -3.109 -10.693 217 HE1 TYR 27 HE2 TYR 27 -6.756 -8.021 -10.863 218 HE2 TYR 27 HE1 TYR 27 -5.280 -4.180 -11.992 219 HH TYR 27 HH TYR 27 -4.312 -7.231 -11.643 220 H CYS 28 HN CYS 28 -11.446 -5.401 -11.961 221 HA CYS 28 HA CYS 28 -12.877 -7.365 -10.311 222 1HB CYS 28 HB2 CYS 28 -13.076 -6.937 -13.298 223 2HB CYS 28 HB1 CYS 28 -14.198 -7.808 -12.257 224 HG CYS 28 HG CYS 28 -13.882 -4.800 -11.669 225 H VAL 29 HN VAL 29 -12.499 -9.516 -10.356 226 HA VAL 29 HA VAL 29 -10.564 -10.659 -12.266 227 HB VAL 29 HB VAL 29 -10.474 -11.103 -9.271 228 1HG1 VAL 29 HG13 VAL 29 -9.190 -12.466 -11.582 229 2HG1 VAL 29 HG12 VAL 29 -8.181 -12.173 -10.165 230 3HG1 VAL 29 HG11 VAL 29 -9.670 -13.109 -10.004 231 1HG2 VAL 29 HG21 VAL 29 -8.770 -9.450 -11.110 232 2HG2 VAL 29 HG23 VAL 29 -9.486 -9.013 -9.555 233 3HG2 VAL 29 HG22 VAL 29 -8.116 -10.117 -9.614 234 H ILE 30 HN ILE 30 -11.531 -12.346 -13.215 235 HA ILE 30 HA ILE 30 -13.884 -13.589 -11.975 236 HB ILE 30 HB ILE 30 -12.679 -13.858 -14.735 237 1HG1 ILE 30 HG12 ILE 30 -15.275 -12.533 -13.945 238 2HG1 ILE 30 HG11 ILE 30 -13.760 -11.651 -14.094 239 1HG2 ILE 30 HG22 ILE 30 -14.885 -15.308 -13.382 240 2HG2 ILE 30 HG21 ILE 30 -15.184 -14.781 -15.038 241 3HG2 ILE 30 HG23 ILE 30 -13.813 -15.830 -14.683 242 1HD1 ILE 30 HD13 ILE 30 -13.570 -12.373 -16.442 243 2HD1 ILE 30 HD12 ILE 30 -15.098 -13.247 -16.290 244 3HD1 ILE 30 HD11 ILE 30 -15.069 -11.483 -16.154 245 H ASN 31 HN ASN 31 -13.517 -15.261 -10.669 246 HA ASN 31 HA ASN 31 -11.338 -17.169 -11.295 247 1HB ASN 31 HB2 ASN 31 -11.309 -15.895 -9.059 248 2HB ASN 31 HB1 ASN 31 -12.699 -16.882 -8.606 249 1HD2 ASN 31 HD22 ASN 31 -10.837 -19.877 -8.244 250 2HD2 ASN 31 HD21 ASN 31 -12.410 -19.161 -8.428 251 H ASN 32 HN ASN 32 -12.638 -18.241 -12.804 252 HA ASN 32 HA ASN 32 -13.937 -19.945 -13.531 253 1HB ASN 32 HB2 ASN 32 -12.964 -21.038 -11.429 254 2HB ASN 32 HB1 ASN 32 -14.513 -20.711 -10.661 255 1HD2 ASN 32 HD22 ASN 32 -14.384 -23.343 -13.833 256 2HD2 ASN 32 HD21 ASN 32 -13.265 -22.013 -13.736 257 H GLN 33 HN GLN 33 -16.073 -20.079 -10.822 258 HA GLN 33 HA GLN 33 -18.107 -18.561 -12.363 259 1HB GLN 33 HB2 GLN 33 -18.375 -20.969 -10.557 260 2HB GLN 33 HB1 GLN 33 -19.749 -20.042 -11.159 261 1HG GLN 33 HG2 GLN 33 -19.379 -20.674 -13.383 262 2HG GLN 33 HG1 GLN 33 -17.700 -21.108 -13.089 263 1HE2 GLN 33 HE22 GLN 33 -18.452 -24.344 -11.802 264 2HE2 GLN 33 HE21 GLN 33 -17.315 -23.033 -11.739 265 H GLU 34 HN GLU 34 -16.127 -17.655 -10.273 266 HA GLU 34 HA GLU 34 -18.004 -16.141 -8.625 267 1HB GLU 34 HB2 GLU 34 -16.713 -18.314 -7.521 268 2HB GLU 34 HB1 GLU 34 -15.583 -17.011 -7.159 269 1HG GLU 34 HG2 GLU 34 -17.128 -15.858 -5.843 270 2HG GLU 34 HG1 GLU 34 -18.511 -16.627 -6.615 271 H MET 35 HN MET 35 -17.479 -14.034 -8.838 272 HA MET 35 HA MET 35 -14.748 -13.349 -9.757 273 1HB MET 35 HB2 MET 35 -15.690 -11.359 -10.742 274 2HB MET 35 HB1 MET 35 -16.591 -12.763 -11.302 275 1HG MET 35 HG2 MET 35 -18.248 -12.254 -9.426 276 2HG MET 35 HG1 MET 35 -17.432 -10.709 -9.261 277 1HE MET 35 HE2 MET 35 -16.915 -9.224 -11.281 278 2HE MET 35 HE1 MET 35 -16.946 -10.152 -12.782 279 3HE MET 35 HE3 MET 35 -18.129 -8.863 -12.508 280 H GLY 36 HN GLY 36 -13.607 -11.720 -8.772 281 1HA GLY 36 HA2 GLY 36 -14.601 -10.846 -6.118 282 2HA GLY 36 HA1 GLY 36 -12.920 -11.190 -6.481 283 H PHE 37 HN PHE 37 -14.800 -8.747 -5.781 284 HA PHE 37 HA PHE 37 -13.756 -6.805 -7.756 285 1HB PHE 37 HB2 PHE 37 -15.898 -6.552 -5.624 286 2HB PHE 37 HB1 PHE 37 -15.360 -5.232 -6.655 287 HD1 PHE 37 HD1 PHE 37 -15.342 -5.944 -9.290 288 HD2 PHE 37 HD2 PHE 37 -17.861 -7.576 -6.241 289 HE1 PHE 37 HE1 PHE 37 -16.987 -6.613 -11.000 290 HE2 PHE 37 HE2 PHE 37 -19.497 -8.240 -7.957 291 HZ PHE 37 HZ PHE 37 -19.036 -7.779 -10.352 292 H TYR 38 HN TYR 38 -11.660 -6.558 -7.079 293 HA TYR 38 HA TYR 38 -11.091 -5.900 -4.265 294 1HB TYR 38 HB2 TYR 38 -9.199 -6.478 -6.552 295 2HB TYR 38 HB1 TYR 38 -8.765 -6.316 -4.857 296 HD1 TYR 38 HD1 TYR 38 -9.681 -8.013 -3.203 297 HD2 TYR 38 HD2 TYR 38 -9.918 -8.543 -7.429 298 HE1 TYR 38 HE1 TYR 38 -10.080 -10.420 -2.881 299 HE2 TYR 38 HE2 TYR 38 -10.319 -10.949 -7.104 300 HH TYR 38 HH TYR 38 -11.242 -12.273 -4.214 301 H LYS 39 HN LYS 39 -9.130 -4.367 -4.082 302 HA LYS 39 HA LYS 39 -9.985 -1.761 -4.969 303 1HB LYS 39 HB2 LYS 39 -8.931 -2.325 -2.732 304 2HB LYS 39 HB1 LYS 39 -7.403 -2.493 -3.582 305 1HG LYS 39 HG2 LYS 39 -7.886 -0.094 -4.455 306 2HG LYS 39 HG1 LYS 39 -9.047 -0.023 -3.133 307 1HD LYS 39 HD2 LYS 39 -6.634 -1.092 -2.070 308 2HD LYS 39 HD1 LYS 39 -6.189 0.297 -3.052 309 1HE LYS 39 HE2 LYS 39 -8.347 0.381 -0.933 310 2HE LYS 39 HE1 LYS 39 -6.668 0.820 -0.636 311 1HZ LYS 39 HZ1 LYS 39 -7.922 2.106 -2.918 312 2HZ LYS 39 HZ3 LYS 39 -8.534 2.541 -1.387 313 3HZ LYS 39 HZ2 LYS 39 -6.876 2.750 -1.735 314 H ASP 40 HN ASP 40 -6.940 -3.577 -5.413 315 HA ASP 40 HA ASP 40 -6.750 -2.737 -8.179 316 1HB ASP 40 HB2 ASP 40 -4.633 -1.618 -8.053 317 2HB ASP 40 HB1 ASP 40 -5.720 -0.834 -6.918 318 H ALA 41 HN ALA 41 -4.118 -3.425 -8.636 319 HA ALA 41 HA ALA 41 -4.269 -6.190 -9.010 320 1HB ALA 41 HB1 ALA 41 -2.881 -4.671 -10.369 321 2HB ALA 41 HB3 ALA 41 -1.778 -4.469 -9.006 322 3HB ALA 41 HB2 ALA 41 -1.960 -6.051 -9.765 323 H LYS 42 HN LYS 42 -2.489 -4.391 -6.462 324 HA LYS 42 HA LYS 42 -1.256 -6.744 -5.373 325 1HB LYS 42 HB2 LYS 42 -0.402 -5.359 -3.673 326 2HB LYS 42 HB1 LYS 42 -0.452 -4.350 -5.110 327 1HG LYS 42 HG2 LYS 42 -2.840 -3.694 -4.110 328 2HG LYS 42 HG1 LYS 42 -2.063 -4.183 -2.611 329 1HD LYS 42 HD2 LYS 42 -0.135 -2.638 -3.299 330 2HD LYS 42 HD1 LYS 42 -1.236 -1.987 -4.510 331 1HE LYS 42 HE2 LYS 42 -1.463 -1.868 -1.509 332 2HE LYS 42 HE1 LYS 42 -1.466 -0.541 -2.667 333 1HZ LYS 42 HZ1 LYS 42 -3.614 -1.625 -3.522 334 2HZ LYS 42 HZ3 LYS 42 -3.629 -2.440 -2.028 335 3HZ LYS 42 HZ2 LYS 42 -3.671 -0.737 -2.066 336 H SER 43 HN SER 43 -4.232 -5.004 -4.676 337 HA SER 43 HA SER 43 -4.912 -6.479 -2.313 338 1HB SER 43 HB2 SER 43 -6.924 -5.062 -4.016 339 2HB SER 43 HB1 SER 43 -6.846 -5.216 -2.262 340 HG SER 43 HG SER 43 -5.010 -3.833 -2.282 341 H ALA 44 HN ALA 44 -5.425 -6.913 -5.730 342 HA ALA 44 HA ALA 44 -7.431 -8.986 -5.484 343 1HB ALA 44 HB3 ALA 44 -7.340 -7.472 -7.439 344 2HB ALA 44 HB2 ALA 44 -5.770 -8.153 -7.878 345 3HB ALA 44 HB1 ALA 44 -7.213 -9.166 -7.907 346 H ALA 45 HN ALA 45 -3.968 -8.836 -6.261 347 HA ALA 45 HA ALA 45 -3.617 -11.620 -6.698 348 1HB ALA 45 HB2 ALA 45 -1.615 -9.470 -5.994 349 2HB ALA 45 HB1 ALA 45 -1.199 -11.101 -6.528 350 3HB ALA 45 HB3 ALA 45 -2.060 -10.011 -7.613 351 H SER 46 HN SER 46 -2.824 -9.578 -3.879 352 HA SER 46 HA SER 46 -1.952 -11.800 -2.280 353 1HB SER 46 HB2 SER 46 -2.682 -9.011 -1.376 354 2HB SER 46 HB1 SER 46 -1.698 -10.188 -0.508 355 HG SER 46 HG SER 46 -0.586 -9.974 -2.887 356 H GLY 47 HN GLY 47 -5.070 -10.569 -2.993 357 1HA GLY 47 HA2 GLY 47 -7.148 -11.350 -2.355 358 2HA GLY 47 HA1 GLY 47 -6.349 -12.504 -1.292 359 H ILE 48 HN ILE 48 -6.942 -9.017 -1.578 360 HA ILE 48 HA ILE 48 -7.392 -8.843 1.346 361 HB ILE 48 HB ILE 48 -6.349 -6.755 -0.584 362 1HG1 ILE 48 HG12 ILE 48 -4.980 -8.002 1.802 363 2HG1 ILE 48 HG11 ILE 48 -4.735 -8.529 0.141 364 1HG2 ILE 48 HG21 ILE 48 -7.032 -6.557 2.346 365 2HG2 ILE 48 HG23 ILE 48 -6.029 -5.383 1.499 366 3HG2 ILE 48 HG22 ILE 48 -7.713 -5.612 1.020 367 1HD1 ILE 48 HD13 ILE 48 -4.274 -5.690 1.049 368 2HD1 ILE 48 HD12 ILE 48 -3.009 -6.918 1.025 369 3HD1 ILE 48 HD11 ILE 48 -3.786 -6.427 -0.476 370 HA PRO 49 HA PRO 49 -11.546 -7.987 -0.166 371 1HB PRO 49 HB2 PRO 49 -12.709 -7.481 2.249 372 2HB PRO 49 HB1 PRO 49 -12.375 -9.105 1.629 373 1HG PRO 49 HG2 PRO 49 -10.846 -7.483 3.609 374 2HG PRO 49 HG1 PRO 49 -11.197 -9.219 3.606 375 1HD PRO 49 HD2 PRO 49 -8.795 -8.176 2.853 376 2HD PRO 49 HD1 PRO 49 -9.439 -9.696 2.203 377 H TYR 50 HN TYR 50 -12.308 -6.171 -1.019 378 HA TYR 50 HA TYR 50 -11.407 -3.556 -0.028 379 1HB TYR 50 HB2 TYR 50 -11.081 -4.131 -2.402 380 2HB TYR 50 HB1 TYR 50 -12.812 -4.340 -2.594 381 HD1 TYR 50 HD1 TYR 50 -10.767 -1.675 -0.927 382 HD2 TYR 50 HD2 TYR 50 -13.609 -2.656 -3.965 383 HE1 TYR 50 HE1 TYR 50 -10.999 0.708 -1.487 384 HE2 TYR 50 HE2 TYR 50 -13.830 -0.267 -4.521 385 HH TYR 50 HH TYR 50 -12.116 1.874 -4.194 386 H HIS 51 HN HIS 51 -13.320 -4.862 1.572 387 HA HIS 51 HA HIS 51 -15.241 -4.485 2.728 388 1HB HIS 51 HB2 HIS 51 -15.031 -1.842 1.284 389 2HB HIS 51 HB1 HIS 51 -16.371 -2.205 2.357 390 HD1 HIS 51 HD1 HIS 51 -15.942 -2.187 4.833 391 HD2 HIS 51 HD2 HIS 51 -12.486 -1.580 2.637 392 HE1 HIS 51 HE1 HIS 51 -14.235 -1.439 6.503 393 H SER 52 HN SER 52 -17.601 -4.270 2.562 394 HA SER 52 HA SER 52 -19.605 -4.819 1.732 395 1HB SER 52 HB2 SER 52 -18.586 -4.177 -1.043 396 2HB SER 52 HB1 SER 52 -20.226 -4.027 -0.413 397 HG SER 52 HG SER 52 -18.053 -2.298 -0.186 398 H GLU 53 HN GLU 53 -20.051 -5.895 -0.860 399 HA GLU 53 HA GLU 53 -19.453 -8.696 -0.363 400 1HB GLU 53 HB2 GLU 53 -21.131 -7.272 -2.443 401 2HB GLU 53 HB1 GLU 53 -20.858 -9.009 -2.467 402 1HG GLU 53 HG2 GLU 53 -22.910 -8.753 -1.339 403 2HG GLU 53 HG1 GLU 53 -21.736 -9.023 -0.055 404 H VAL 54 HN VAL 54 -17.233 -8.829 -0.711 405 HA VAL 54 HA VAL 54 -15.990 -7.872 -3.116 406 HB VAL 54 HB VAL 54 -14.645 -9.941 -1.432 407 1HG1 VAL 54 HG12 VAL 54 -13.673 -8.642 -3.436 408 2HG1 VAL 54 HG11 VAL 54 -13.574 -7.284 -2.316 409 3HG1 VAL 54 HG13 VAL 54 -12.699 -8.775 -1.969 410 1HG2 VAL 54 HG23 VAL 54 -15.327 -7.159 -0.466 411 2HG2 VAL 54 HG22 VAL 54 -15.688 -8.696 0.326 412 3HG2 VAL 54 HG21 VAL 54 -14.021 -8.132 0.214 413 HA PRO 55 HA PRO 55 -16.182 -12.409 -4.537 414 1HB PRO 55 HB2 PRO 55 -17.128 -14.358 -2.896 415 2HB PRO 55 HB1 PRO 55 -15.463 -13.763 -2.848 416 1HG PRO 55 HG2 PRO 55 -17.616 -13.387 -0.914 417 2HG PRO 55 HG1 PRO 55 -15.878 -13.130 -0.717 418 1HD PRO 55 HD2 PRO 55 -17.962 -11.170 -1.235 419 2HD PRO 55 HD1 PRO 55 -16.259 -10.908 -0.827 420 H VAL 56 HN VAL 56 -17.714 -12.296 -6.087 421 HA VAL 56 HA VAL 56 -20.569 -12.674 -5.336 422 HB VAL 56 HB VAL 56 -19.427 -11.062 -7.634 423 1HG1 VAL 56 HG11 VAL 56 -22.223 -11.778 -6.821 424 2HG1 VAL 56 HG13 VAL 56 -21.905 -10.251 -7.640 425 3HG1 VAL 56 HG12 VAL 56 -21.494 -11.777 -8.427 426 1HG2 VAL 56 HG23 VAL 56 -20.450 -10.308 -4.918 427 2HG2 VAL 56 HG22 VAL 56 -19.030 -9.713 -5.786 428 3HG2 VAL 56 HG21 VAL 56 -20.645 -9.194 -6.272 429 H SER 57 HN SER 57 -21.689 -14.238 -6.414 430 HA SER 57 HA SER 57 -20.201 -16.189 -7.903 431 1HB SER 57 HB2 SER 57 -23.158 -16.274 -7.689 432 2HB SER 57 HB1 SER 57 -21.978 -17.557 -7.544 433 HG SER 57 HG SER 57 -21.369 -16.172 -5.528 434 H LEU 58 HN LEU 58 -20.072 -16.438 -10.027 435 HA LEU 58 HA LEU 58 -21.809 -14.826 -11.818 436 1HB LEU 58 HB2 LEU 58 -19.275 -14.327 -11.669 437 2HB LEU 58 HB1 LEU 58 -19.058 -15.849 -12.524 438 HG LEU 58 HG LEU 58 -20.806 -14.849 -14.195 439 1HD1 LEU 58 HD11 LEU 58 -20.738 -12.753 -12.383 440 2HD1 LEU 58 HD13 LEU 58 -19.747 -12.186 -13.728 441 3HD1 LEU 58 HD12 LEU 58 -21.405 -12.705 -14.012 442 1HD2 LEU 58 HD23 LEU 58 -18.150 -15.123 -14.327 443 2HD2 LEU 58 HD22 LEU 58 -19.097 -14.358 -15.598 444 3HD2 LEU 58 HD21 LEU 58 -18.254 -13.362 -14.414 445 H LYS 59 HN LYS 59 -23.151 -16.836 -11.301 446 HA LYS 59 HA LYS 59 -22.418 -19.179 -12.929 447 1HB LYS 59 HB2 LYS 59 -23.115 -19.389 -10.503 448 2HB LYS 59 HB1 LYS 59 -24.730 -18.901 -11.000 449 1HG LYS 59 HG2 LYS 59 -24.951 -21.186 -11.094 450 2HG LYS 59 HG1 LYS 59 -24.421 -20.876 -12.744 451 1HD LYS 59 HD2 LYS 59 -22.079 -21.345 -12.028 452 2HD LYS 59 HD1 LYS 59 -22.683 -21.762 -10.429 453 1HE LYS 59 HE2 LYS 59 -22.397 -23.817 -11.617 454 2HE LYS 59 HE1 LYS 59 -24.129 -23.515 -11.523 455 1HZ LYS 59 HZ1 LYS 59 -22.738 -22.482 -13.869 456 2HZ LYS 59 HZ3 LYS 59 -22.911 -24.171 -13.767 457 3HZ LYS 59 HZ2 LYS 59 -24.296 -23.167 -13.734 458 H GLU 60 HN GLU 60 -22.965 -18.806 -15.002 459 HA GLU 60 HA GLU 60 -24.212 -18.442 -16.892 460 1HB GLU 60 HB2 GLU 60 -26.552 -19.100 -15.097 461 2HB GLU 60 HB1 GLU 60 -26.525 -19.189 -16.852 462 1HG GLU 60 HG2 GLU 60 -25.551 -21.222 -16.862 463 2HG GLU 60 HG1 GLU 60 -24.372 -20.760 -15.639 464 H ALA 61 HN ALA 61 -23.507 -16.082 -15.956 465 HA ALA 61 HA ALA 61 -25.728 -14.336 -15.321 466 1HB ALA 61 HB3 ALA 61 -23.454 -13.927 -14.455 467 2HB ALA 61 HB2 ALA 61 -22.882 -13.656 -16.104 468 3HB ALA 61 HB1 ALA 61 -24.061 -12.555 -15.383 469 H ILE 62 HN ILE 62 -26.532 -12.647 -16.570 470 HA ILE 62 HA ILE 62 -26.469 -13.052 -19.494 471 HB ILE 62 HB ILE 62 -28.348 -11.500 -17.697 472 1HG1 ILE 62 HG12 ILE 62 -28.403 -14.080 -17.743 473 2HG1 ILE 62 HG11 ILE 62 -29.912 -13.210 -17.973 474 1HG2 ILE 62 HG22 ILE 62 -28.182 -11.715 -20.682 475 2HG2 ILE 62 HG21 ILE 62 -29.744 -11.498 -19.891 476 3HG2 ILE 62 HG23 ILE 62 -28.473 -10.296 -19.672 477 1HD1 ILE 62 HD11 ILE 62 -28.570 -13.668 -20.514 478 2HD1 ILE 62 HD13 ILE 62 -28.859 -15.175 -19.642 479 3HD1 ILE 62 HD12 ILE 62 -30.207 -14.096 -20.010 480 H CYS 63 HN CYS 63 -25.791 -11.385 -20.863 481 HA CYS 63 HA CYS 63 -24.971 -8.831 -19.659 482 1HB CYS 63 HB2 CYS 63 -23.070 -10.543 -19.631 483 2HB CYS 63 HB1 CYS 63 -23.056 -10.398 -21.383 484 HG CYS 63 HG CYS 63 -22.279 -7.964 -21.167 485 H GLU 64 HN GLU 64 -25.386 -7.155 -20.917 486 HA GLU 64 HA GLU 64 -25.947 -7.564 -23.806 487 1HB GLU 64 HB2 GLU 64 -27.210 -5.558 -21.913 488 2HB GLU 64 HB1 GLU 64 -27.542 -5.700 -23.637 489 1HG GLU 64 HG2 GLU 64 -28.287 -8.085 -23.187 490 2HG GLU 64 HG1 GLU 64 -28.179 -7.711 -21.466 491 H VAL 65 HN VAL 65 -25.377 -5.720 -25.180 492 HA VAL 65 HA VAL 65 -22.961 -4.343 -24.186 493 HB VAL 65 HB VAL 65 -23.972 -4.540 -27.025 494 1HG1 VAL 65 HG11 VAL 65 -21.390 -3.642 -25.767 495 2HG1 VAL 65 HG13 VAL 65 -21.445 -4.211 -27.434 496 3HG1 VAL 65 HG12 VAL 65 -22.393 -2.804 -26.954 497 1HG2 VAL 65 HG21 VAL 65 -22.344 -6.440 -25.383 498 2HG2 VAL 65 HG23 VAL 65 -23.601 -6.780 -26.572 499 3HG2 VAL 65 HG22 VAL 65 -21.996 -6.276 -27.102 500 H ALA 66 HN ALA 66 -22.679 -2.175 -24.248 501 HA ALA 66 HA ALA 66 -24.905 -0.404 -25.072 502 1HB ALA 66 HB1 ALA 66 -23.353 -0.257 -22.467 503 2HB ALA 66 HB3 ALA 66 -24.471 0.975 -23.052 504 3HB ALA 66 HB2 ALA 66 -25.066 -0.631 -22.641 505 H LEU 67 HN LEU 67 -23.652 -0.085 -26.959 506 HA LEU 67 HA LEU 67 -20.947 0.634 -27.085 507 1HB LEU 67 HB2 LEU 67 -22.937 0.128 -28.900 508 2HB LEU 67 HB1 LEU 67 -22.663 1.842 -29.155 509 HG LEU 67 HG LEU 67 -21.276 0.582 -30.655 510 1HD1 LEU 67 HD21 LEU 67 -20.352 2.648 -29.557 511 2HD1 LEU 67 HD23 LEU 67 -19.451 1.582 -28.474 512 3HD1 LEU 67 HD22 LEU 67 -19.151 1.540 -30.210 513 1HD2 LEU 67 HD13 LEU 67 -21.236 -1.504 -29.264 514 2HD2 LEU 67 HD12 LEU 67 -19.689 -1.073 -30.000 515 3HD2 LEU 67 HD11 LEU 67 -19.969 -0.757 -28.287 516 H ASP 68 HN ASP 68 -23.760 2.837 -27.342 517 HA ASP 68 HA ASP 68 -22.002 5.051 -26.408 518 1HB ASP 68 HB2 ASP 68 -22.734 5.274 -28.775 519 2HB ASP 68 HB1 ASP 68 -24.410 5.246 -28.239 520 H TYR 69 HN TYR 69 -22.585 4.392 -24.245 521 HA TYR 69 HA TYR 69 -25.356 4.772 -23.388 522 1HB TYR 69 HB2 TYR 69 -24.115 2.948 -22.383 523 2HB TYR 69 HB1 TYR 69 -22.832 4.038 -21.877 524 HD1 TYR 69 HD1 TYR 69 -26.570 3.989 -21.571 525 HD2 TYR 69 HD2 TYR 69 -22.803 4.396 -19.594 526 HE1 TYR 69 HE1 TYR 69 -27.725 4.311 -19.419 527 HE2 TYR 69 HE2 TYR 69 -23.969 4.729 -17.449 528 HH TYR 69 HH TYR 69 -26.530 3.872 -16.606 529 H LYS 70 HN LYS 70 -25.051 7.024 -24.359 530 HA LYS 70 HA LYS 70 -25.123 9.275 -24.051 531 1HB LYS 70 HB2 LYS 70 -24.677 8.664 -21.113 532 2HB LYS 70 HB1 LYS 70 -25.157 10.219 -21.777 533 1HG LYS 70 HG2 LYS 70 -27.303 9.617 -21.884 534 2HG LYS 70 HG1 LYS 70 -26.914 8.117 -22.714 535 1HD LYS 70 HD2 LYS 70 -26.188 7.262 -20.398 536 2HD LYS 70 HD1 LYS 70 -27.098 8.627 -19.760 537 1HE LYS 70 HE2 LYS 70 -28.183 6.437 -21.549 538 2HE LYS 70 HE1 LYS 70 -28.467 6.590 -19.819 539 1HZ LYS 70 HZ1 LYS 70 -29.214 8.733 -21.720 540 2HZ LYS 70 HZ3 LYS 70 -30.251 7.431 -21.386 541 3HZ LYS 70 HZ2 LYS 70 -29.774 8.482 -20.128 542 H LYS 71 HN LYS 71 -22.963 8.677 -25.228 543 HA LYS 71 HA LYS 71 -20.853 9.375 -25.759 544 1HB LYS 71 HB2 LYS 71 -21.875 11.561 -24.755 545 2HB LYS 71 HB1 LYS 71 -20.826 11.230 -23.387 546 1HG LYS 71 HG2 LYS 71 -19.522 12.627 -24.721 547 2HG LYS 71 HG1 LYS 71 -18.941 11.019 -25.139 548 1HD LYS 71 HD2 LYS 71 -19.196 12.245 -27.180 549 2HD LYS 71 HD1 LYS 71 -20.486 11.050 -27.124 550 1HE LYS 71 HE2 LYS 71 -21.106 13.734 -25.995 551 2HE LYS 71 HE1 LYS 71 -20.897 13.641 -27.741 552 1HZ LYS 71 HZ1 LYS 71 -22.488 11.537 -27.298 553 2HZ LYS 71 HZ3 LYS 71 -23.025 12.588 -26.068 554 3HZ LYS 71 HZ2 LYS 71 -23.056 13.091 -27.697 555 H LYS 72 HN LYS 72 -20.386 7.138 -25.006 556 HA LYS 72 HA LYS 72 -18.349 7.174 -22.869 557 1HB LYS 72 HB2 LYS 72 -20.457 5.030 -23.238 558 2HB LYS 72 HB1 LYS 72 -19.122 4.961 -22.096 559 1HG LYS 72 HG2 LYS 72 -21.196 7.158 -22.048 560 2HG LYS 72 HG1 LYS 72 -21.365 5.663 -21.142 561 1HD LYS 72 HD2 LYS 72 -19.363 6.136 -19.872 562 2HD LYS 72 HD1 LYS 72 -19.019 7.553 -20.860 563 1HE LYS 72 HE2 LYS 72 -21.598 7.324 -19.321 564 2HE LYS 72 HE1 LYS 72 -20.126 7.899 -18.546 565 1HZ LYS 72 HZ2 LYS 72 -21.151 9.117 -21.044 566 2HZ LYS 72 HZ1 LYS 72 -21.661 9.637 -19.507 567 3HZ LYS 72 HZ3 LYS 72 -20.016 9.750 -19.945 568 H LYS 73 HN LYS 73 -17.034 5.102 -22.983 569 HA LYS 73 HA LYS 73 -15.973 4.842 -25.659 570 1HB LYS 73 HB2 LYS 73 -15.258 3.578 -23.006 571 2HB LYS 73 HB1 LYS 73 -14.396 3.220 -24.502 572 1HG LYS 73 HG2 LYS 73 -14.763 6.068 -23.609 573 2HG LYS 73 HG1 LYS 73 -13.493 5.073 -22.906 574 1HD LYS 73 HD2 LYS 73 -13.788 5.227 -25.886 575 2HD LYS 73 HD1 LYS 73 -12.974 6.526 -25.020 576 1HE LYS 73 HE2 LYS 73 -11.973 4.026 -24.046 577 2HE LYS 73 HE1 LYS 73 -11.920 4.000 -25.807 578 1HZ LYS 73 HZ3 LYS 73 -10.861 6.292 -25.580 579 2HZ LYS 73 HZ2 LYS 73 -10.599 5.866 -23.945 580 3HZ LYS 73 HZ1 LYS 73 -9.907 4.929 -25.193 581 H HIS 74 HN HIS 74 -16.464 2.136 -23.468 582 HA HIS 74 HA HIS 74 -18.373 0.789 -25.236 583 1HB HIS 74 HB2 HIS 74 -15.503 0.077 -25.003 584 2HB HIS 74 HB1 HIS 74 -16.601 -1.268 -24.733 585 HD1 HIS 74 HD1 HIS 74 -16.967 1.498 -27.291 586 HD2 HIS 74 HD2 HIS 74 -16.429 -2.599 -27.129 587 HE1 HIS 74 HE1 HIS 74 -17.130 0.725 -29.667 588 H VAL 75 HN VAL 75 -19.924 0.494 -23.750 589 HA VAL 75 HA VAL 75 -19.200 -0.568 -21.083 590 HB VAL 75 HB VAL 75 -21.616 1.064 -21.890 591 1HG1 VAL 75 HG13 VAL 75 -20.658 0.062 -19.217 592 2HG1 VAL 75 HG12 VAL 75 -21.794 1.400 -19.383 593 3HG1 VAL 75 HG11 VAL 75 -22.226 -0.202 -19.989 594 1HG2 VAL 75 HG21 VAL 75 -18.920 1.851 -20.914 595 2HG2 VAL 75 HG23 VAL 75 -20.036 2.703 -21.987 596 3HG2 VAL 75 HG22 VAL 75 -20.309 2.711 -20.242 597 H PHE 76 HN PHE 76 -20.698 -2.087 -20.126 598 HA PHE 76 HA PHE 76 -22.642 -3.365 -21.889 599 1HB PHE 76 HB2 PHE 76 -21.770 -5.629 -21.464 600 2HB PHE 76 HB1 PHE 76 -20.671 -4.651 -22.414 601 HD1 PHE 76 HD2 PHE 76 -21.193 -6.341 -19.201 602 HD2 PHE 76 HD1 PHE 76 -18.509 -3.970 -21.533 603 HE1 PHE 76 HE2 PHE 76 -19.352 -6.934 -17.671 604 HE2 PHE 76 HE1 PHE 76 -16.664 -4.559 -20.009 605 HZ PHE 76 HZ PHE 76 -17.075 -6.041 -18.076 606 H LYS 77 HN LYS 77 -24.325 -4.229 -20.828 607 HA LYS 77 HA LYS 77 -24.557 -3.649 -17.969 608 1HB LYS 77 HB2 LYS 77 -26.411 -2.858 -19.202 609 2HB LYS 77 HB1 LYS 77 -26.539 -4.335 -20.141 610 1HG LYS 77 HG2 LYS 77 -28.371 -4.189 -18.547 611 2HG LYS 77 HG1 LYS 77 -27.341 -5.549 -18.149 612 1HD LYS 77 HD2 LYS 77 -27.647 -4.642 -16.050 613 2HD LYS 77 HD1 LYS 77 -26.183 -3.800 -16.537 614 1HE LYS 77 HE2 LYS 77 -27.450 -2.018 -15.801 615 2HE LYS 77 HE1 LYS 77 -27.904 -2.034 -17.500 616 1HZ LYS 77 HZ1 LYS 77 -29.501 -3.589 -15.580 617 2HZ LYS 77 HZ3 LYS 77 -29.710 -1.895 -15.678 618 3HZ LYS 77 HZ2 LYS 77 -29.963 -2.867 -17.056 619 H LEU 78 HN LEU 78 -23.591 -5.173 -16.791 620 HA LEU 78 HA LEU 78 -23.919 -8.020 -17.405 621 1HB LEU 78 HB2 LEU 78 -21.698 -7.160 -16.794 622 2HB LEU 78 HB1 LEU 78 -22.331 -6.593 -15.263 623 HG LEU 78 HG LEU 78 -22.650 -8.762 -14.477 624 1HD1 LEU 78 HD11 LEU 78 -22.330 -9.643 -17.318 625 2HD1 LEU 78 HD13 LEU 78 -22.100 -10.770 -15.983 626 3HD1 LEU 78 HD12 LEU 78 -23.654 -9.972 -16.197 627 1HD2 LEU 78 HD23 LEU 78 -20.061 -8.162 -15.695 628 2HD2 LEU 78 HD22 LEU 78 -20.461 -8.623 -14.040 629 3HD2 LEU 78 HD21 LEU 78 -20.309 -9.858 -15.284 630 H ARG 79 HN ARG 79 -25.686 -8.983 -16.649 631 HA ARG 79 HA ARG 79 -26.920 -8.053 -14.121 632 1HB ARG 79 HB2 ARG 79 -28.063 -9.471 -16.534 633 2HB ARG 79 HB1 ARG 79 -28.945 -9.247 -15.029 634 1HG ARG 79 HG2 ARG 79 -29.026 -6.924 -15.282 635 2HG ARG 79 HG1 ARG 79 -27.734 -6.906 -16.470 636 1HD ARG 79 HD2 ARG 79 -29.143 -7.323 -18.196 637 2HD ARG 79 HD1 ARG 79 -30.078 -8.502 -17.273 638 HE ARG 79 HE ARG 79 -30.714 -5.999 -16.213 639 1HH1 ARG 79 HH11 ARG 79 -32.380 -8.203 -17.864 640 2HH1 ARG 79 HH12 ARG 79 -33.154 -7.155 -19.020 641 1HH2 ARG 79 HH21 ARG 79 -31.110 -4.382 -18.326 642 2HH2 ARG 79 HH22 ARG 79 -32.462 -4.966 -19.258 643 H LEU 80 HN LEU 80 -26.497 -9.347 -12.429 644 HA LEU 80 HA LEU 80 -25.584 -12.081 -12.812 645 1HB LEU 80 HB2 LEU 80 -26.290 -10.561 -10.291 646 2HB LEU 80 HB1 LEU 80 -25.508 -12.136 -10.345 647 HG LEU 80 HG LEU 80 -24.355 -9.683 -11.677 648 1HD1 LEU 80 HD13 LEU 80 -24.094 -10.613 -8.847 649 2HD1 LEU 80 HD12 LEU 80 -22.747 -9.796 -9.642 650 3HD1 LEU 80 HD11 LEU 80 -24.298 -8.975 -9.482 651 1HD2 LEU 80 HD22 LEU 80 -23.236 -12.389 -10.968 652 2HD2 LEU 80 HD21 LEU 80 -23.381 -11.653 -12.565 653 3HD2 LEU 80 HD23 LEU 80 -22.224 -11.010 -11.402 654 H SER 81 HN SER 81 -26.851 -13.819 -12.935 655 HA SER 81 HA SER 81 -29.635 -13.721 -13.179 656 1HB SER 81 HB2 SER 81 -27.802 -16.056 -12.636 657 2HB SER 81 HB1 SER 81 -29.515 -16.226 -13.025 658 HG SER 81 HG SER 81 -27.556 -16.018 -14.745 659 H ASP 82 HN ASP 82 -27.725 -14.105 -10.304 660 HA ASP 82 HA ASP 82 -30.168 -13.997 -8.686 661 1HB ASP 82 HB2 ASP 82 -29.109 -16.460 -9.076 662 2HB ASP 82 HB1 ASP 82 -28.124 -15.942 -7.711 663 H GLY 83 HN GLY 83 -28.453 -11.977 -9.275 664 1HA GLY 83 HA2 GLY 83 -27.363 -11.330 -6.643 665 2HA GLY 83 HA1 GLY 83 -26.231 -11.316 -7.994 666 H ASN 84 HN ASN 84 -25.808 -9.220 -8.216 667 HA ASN 84 HA ASN 84 -27.924 -7.179 -8.251 668 1HB ASN 84 HB2 ASN 84 -25.060 -6.486 -8.577 669 2HB ASN 84 HB1 ASN 84 -26.293 -5.673 -7.631 670 1HD2 ASN 84 HD22 ASN 84 -25.466 -7.248 -4.628 671 2HD2 ASN 84 HD21 ASN 84 -26.482 -6.130 -5.477 672 H GLU 85 HN GLU 85 -27.207 -5.254 -9.749 673 HA GLU 85 HA GLU 85 -26.704 -6.184 -12.525 674 1HB GLU 85 HB2 GLU 85 -28.728 -4.268 -11.387 675 2HB GLU 85 HB1 GLU 85 -28.184 -4.099 -13.054 676 1HG GLU 85 HG2 GLU 85 -28.809 -6.661 -13.180 677 2HG GLU 85 HG1 GLU 85 -29.814 -6.275 -11.784 678 H TYR 86 HN TYR 86 -24.954 -5.139 -13.447 679 HA TYR 86 HA TYR 86 -24.177 -2.455 -12.438 680 1HB TYR 86 HB2 TYR 86 -22.249 -4.747 -12.868 681 2HB TYR 86 HB1 TYR 86 -21.836 -3.115 -12.372 682 HD1 TYR 86 HD1 TYR 86 -22.776 -2.270 -10.130 683 HD2 TYR 86 HD2 TYR 86 -22.672 -6.385 -11.274 684 HE1 TYR 86 HE1 TYR 86 -23.047 -2.934 -7.777 685 HE2 TYR 86 HE2 TYR 86 -22.930 -7.044 -8.920 686 HH TYR 86 HH TYR 86 -23.060 -6.374 -6.816 687 H LEU 87 HN LEU 87 -23.169 -1.125 -13.935 688 HA LEU 87 HA LEU 87 -23.086 -2.035 -16.758 689 1HB LEU 87 HB2 LEU 87 -22.923 0.776 -15.627 690 2HB LEU 87 HB1 LEU 87 -22.860 0.363 -17.326 691 HG LEU 87 HG LEU 87 -25.190 0.067 -15.451 692 1HD1 LEU 87 HD13 LEU 87 -24.670 2.311 -16.485 693 2HD1 LEU 87 HD12 LEU 87 -25.011 1.577 -18.055 694 3HD1 LEU 87 HD11 LEU 87 -26.278 1.672 -16.831 695 1HD2 LEU 87 HD21 LEU 87 -24.694 -1.133 -18.152 696 2HD2 LEU 87 HD23 LEU 87 -25.428 -1.850 -16.717 697 3HD2 LEU 87 HD22 LEU 87 -26.328 -0.678 -17.672 698 H PHE 88 HN PHE 88 -21.096 -2.761 -17.311 699 HA PHE 88 HA PHE 88 -18.742 -1.705 -15.888 700 1HB PHE 88 HB2 PHE 88 -19.314 -4.218 -17.385 701 2HB PHE 88 HB1 PHE 88 -17.652 -3.709 -17.115 702 HD1 PHE 88 HD1 PHE 88 -17.059 -3.081 -14.642 703 HD2 PHE 88 HD2 PHE 88 -20.370 -5.516 -15.790 704 HE1 PHE 88 HE1 PHE 88 -17.124 -4.055 -12.385 705 HE2 PHE 88 HE2 PHE 88 -20.445 -6.486 -13.529 706 HZ PHE 88 HZ PHE 88 -18.832 -5.727 -11.810 707 H GLN 89 HN GLN 89 -17.550 -0.233 -16.836 708 HA GLN 89 HA GLN 89 -17.719 0.185 -19.756 709 1HB GLN 89 HB2 GLN 89 -18.278 2.083 -18.284 710 2HB GLN 89 HB1 GLN 89 -16.689 1.986 -17.566 711 1HG GLN 89 HG2 GLN 89 -16.368 2.150 -20.412 712 2HG GLN 89 HG1 GLN 89 -17.484 3.411 -19.901 713 1HE2 GLN 89 HE22 GLN 89 -13.640 3.413 -18.430 714 2HE2 GLN 89 HE21 GLN 89 -14.391 1.945 -18.957 715 H ALA 90 HN ALA 90 -16.101 -0.504 -20.975 716 HA ALA 90 HA ALA 90 -13.472 -1.136 -19.795 717 1HB ALA 90 HB1 ALA 90 -14.741 -1.867 -22.447 718 2HB ALA 90 HB3 ALA 90 -13.090 -2.295 -21.984 719 3HB ALA 90 HB2 ALA 90 -14.458 -2.939 -21.071 720 H LYS 91 HN LYS 91 -11.581 -0.650 -21.270 721 HA LYS 91 HA LYS 91 -11.739 2.168 -22.123 722 1HB LYS 91 HB2 LYS 91 -9.374 0.336 -21.664 723 2HB LYS 91 HB1 LYS 91 -9.263 2.024 -22.152 724 1HG LYS 91 HG2 LYS 91 -9.051 2.328 -19.896 725 2HG LYS 91 HG1 LYS 91 -10.806 2.354 -19.996 726 1HD LYS 91 HD2 LYS 91 -10.549 0.846 -18.291 727 2HD LYS 91 HD1 LYS 91 -10.530 -0.263 -19.651 728 1HE LYS 91 HE2 LYS 91 -8.278 0.627 -17.903 729 2HE LYS 91 HE1 LYS 91 -8.706 -0.993 -18.439 730 1HZ LYS 91 HZ3 LYS 91 -7.884 0.850 -20.531 731 2HZ LYS 91 HZ2 LYS 91 -6.673 0.388 -19.423 732 3HZ LYS 91 HZ1 LYS 91 -7.519 -0.796 -20.314 733 H ASP 92 HN ASP 92 -10.685 -1.000 -23.312 734 HA ASP 92 HA ASP 92 -10.586 0.074 -26.083 735 1HB ASP 92 HB2 ASP 92 -8.564 -1.132 -24.953 736 2HB ASP 92 HB1 ASP 92 -9.487 -2.604 -25.240 737 H ASP 93 HN ASP 93 -11.564 -1.136 -27.777 738 HA ASP 93 HA ASP 93 -14.090 -2.320 -27.130 739 1HB ASP 93 HB2 ASP 93 -14.279 -2.765 -29.563 740 2HB ASP 93 HB1 ASP 93 -13.852 -1.096 -29.212 741 H GLU 94 HN GLU 94 -10.896 -3.561 -27.834 742 HA GLU 94 HA GLU 94 -11.595 -6.315 -28.238 743 1HB GLU 94 HB2 GLU 94 -9.405 -5.133 -28.832 744 2HB GLU 94 HB1 GLU 94 -8.991 -5.253 -27.127 745 1HG GLU 94 HG2 GLU 94 -9.859 -7.836 -27.951 746 2HG GLU 94 HG1 GLU 94 -8.770 -7.244 -29.202 747 H GLU 95 HN GLU 95 -10.808 -4.303 -25.476 748 HA GLU 95 HA GLU 95 -10.607 -6.290 -23.462 749 1HB GLU 95 HB2 GLU 95 -9.853 -3.860 -23.369 750 2HB GLU 95 HB1 GLU 95 -11.538 -3.443 -23.089 751 1HG GLU 95 HG2 GLU 95 -11.558 -4.797 -21.060 752 2HG GLU 95 HG1 GLU 95 -9.892 -5.293 -21.352 753 H MET 96 HN MET 96 -13.302 -4.252 -24.579 754 HA MET 96 HA MET 96 -15.287 -5.060 -22.764 755 1HB MET 96 HB2 MET 96 -15.381 -3.153 -24.448 756 2HB MET 96 HB1 MET 96 -15.793 -4.360 -25.661 757 1HG MET 96 HG2 MET 96 -17.582 -4.980 -23.699 758 2HG MET 96 HG1 MET 96 -17.419 -3.245 -23.457 759 1HE MET 96 HE3 MET 96 -17.859 -6.053 -25.845 760 2HE MET 96 HE2 MET 96 -19.228 -5.590 -26.853 761 3HE MET 96 HE1 MET 96 -17.598 -5.120 -27.326 762 H ASN 97 HN ASN 97 -14.474 -6.385 -25.979 763 HA ASN 97 HA ASN 97 -16.431 -8.441 -26.020 764 1HB ASN 97 HB2 ASN 97 -15.177 -7.617 -28.011 765 2HB ASN 97 HB1 ASN 97 -13.730 -8.407 -27.396 766 1HD2 ASN 97 HD22 ASN 97 -16.835 -10.721 -28.797 767 2HD2 ASN 97 HD21 ASN 97 -17.140 -9.130 -28.153 768 H THR 98 HN THR 98 -13.052 -8.398 -24.924 769 HA THR 98 HA THR 98 -12.752 -11.128 -24.298 770 HB THR 98 HB THR 98 -11.440 -8.718 -23.018 771 HG1 THR 98 HG1 THR 98 -11.121 -8.811 -25.270 772 1HG2 THR 98 HG23 THR 98 -10.821 -11.658 -22.892 773 2HG2 THR 98 HG22 THR 98 -9.539 -10.459 -22.720 774 3HG2 THR 98 HG21 THR 98 -10.887 -10.477 -21.581 775 H TRP 99 HN TRP 99 -13.987 -8.424 -22.340 776 HA TRP 99 HA TRP 99 -14.266 -9.889 -19.906 777 1HB TRP 99 HB2 TRP 99 -15.363 -7.285 -20.943 778 2HB TRP 99 HB1 TRP 99 -15.987 -7.962 -19.446 779 HD1 TRP 99 HD1 TRP 99 -13.485 -5.540 -20.497 780 HE1 TRP 99 HE1 TRP 99 -11.687 -5.234 -18.705 781 HE3 TRP 99 HE3 TRP 99 -14.405 -9.659 -17.579 782 HZ2 TRP 99 HZ2 TRP 99 -10.770 -6.495 -16.376 783 HZ3 TRP 99 HZ3 TRP 99 -13.033 -10.037 -15.575 784 HH2 TRP 99 HH2 TRP 99 -11.231 -8.475 -14.973 785 H ILE 100 HN ILE 100 -16.676 -8.893 -22.358 786 HA ILE 100 HA ILE 100 -18.897 -10.203 -21.235 787 HB ILE 100 HB ILE 100 -18.296 -9.484 -24.110 788 1HG1 ILE 100 HG12 ILE 100 -20.001 -8.112 -22.020 789 2HG1 ILE 100 HG11 ILE 100 -18.395 -7.594 -22.510 790 1HG2 ILE 100 HG23 ILE 100 -20.761 -10.633 -22.838 791 2HG2 ILE 100 HG22 ILE 100 -20.899 -9.540 -24.212 792 3HG2 ILE 100 HG21 ILE 100 -20.003 -11.045 -24.378 793 1HD1 ILE 100 HD12 ILE 100 -19.415 -7.538 -24.905 794 2HD1 ILE 100 HD11 ILE 100 -20.958 -7.502 -24.050 795 3HD1 ILE 100 HD13 ILE 100 -19.774 -6.227 -23.778 796 H GLN 101 HN GLN 101 -16.537 -11.377 -23.654 797 HA GLN 101 HA GLN 101 -17.745 -13.871 -24.204 798 1HB GLN 101 HB2 GLN 101 -14.930 -12.839 -24.400 799 2HB GLN 101 HB1 GLN 101 -15.299 -14.519 -24.774 800 1HG GLN 101 HG2 GLN 101 -17.098 -12.545 -26.046 801 2HG GLN 101 HG1 GLN 101 -15.423 -12.462 -26.574 802 1HE2 GLN 101 HE22 GLN 101 -17.776 -15.615 -27.607 803 2HE2 GLN 101 HE21 GLN 101 -18.322 -14.365 -26.533 804 H ALA 102 HN ALA 102 -15.306 -12.967 -21.784 805 HA ALA 102 HA ALA 102 -14.891 -15.582 -20.747 806 1HB ALA 102 HB1 ALA 102 -13.306 -13.696 -20.467 807 2HB ALA 102 HB3 ALA 102 -14.450 -12.926 -19.363 808 3HB ALA 102 HB2 ALA 102 -13.720 -14.477 -18.939 809 H ILE 103 HN ILE 103 -17.103 -12.964 -19.862 810 HA ILE 103 HA ILE 103 -18.079 -14.209 -17.467 811 HB ILE 103 HB ILE 103 -19.133 -11.955 -19.179 812 1HG1 ILE 103 HG12 ILE 103 -18.018 -11.705 -16.404 813 2HG1 ILE 103 HG11 ILE 103 -16.931 -11.811 -17.782 814 1HG2 ILE 103 HG23 ILE 103 -20.522 -13.389 -17.104 815 2HG2 ILE 103 HG22 ILE 103 -20.198 -11.740 -16.582 816 3HG2 ILE 103 HG21 ILE 103 -21.070 -12.034 -18.087 817 1HD1 ILE 103 HD13 ILE 103 -18.565 -9.913 -18.720 818 2HD1 ILE 103 HD12 ILE 103 -18.775 -9.624 -16.994 819 3HD1 ILE 103 HD11 ILE 103 -17.166 -9.542 -17.711 820 H SER 104 HN SER 104 -19.476 -13.800 -20.747 821 HA SER 104 HA SER 104 -21.839 -15.269 -20.313 822 1HB SER 104 HB2 SER 104 -21.889 -15.513 -22.805 823 2HB SER 104 HB1 SER 104 -21.681 -13.860 -22.239 824 HG SER 104 HG SER 104 -19.600 -13.866 -22.892 825 H SER 105 HN SER 105 -18.601 -16.350 -21.127 826 HA SER 105 HA SER 105 -19.546 -19.163 -21.190 827 1HB SER 105 HB2 SER 105 -16.856 -18.343 -22.226 828 2HB SER 105 HB1 SER 105 -17.890 -19.681 -22.717 829 HG SER 105 HG SER 105 -18.536 -16.945 -23.169 830 H ALA 106 HN ALA 106 -19.089 -17.701 -18.735 831 HA ALA 106 HA ALA 106 -16.518 -18.356 -17.632 832 1HB ALA 106 HB2 ALA 106 -19.135 -17.547 -16.340 833 2HB ALA 106 HB1 ALA 106 -17.622 -17.760 -15.458 834 3HB ALA 106 HB3 ALA 106 -17.753 -16.511 -16.691 No H/Q in entry = 834 Start of MODEL 32 1 1H MET 1 HT3 MET 1 -7.590 -13.161 -15.712 2 2H MET 1 HT2 MET 1 -8.622 -14.502 -15.938 3 3H MET 1 HT1 MET 1 -7.588 -14.002 -17.198 4 HA MET 1 HA MET 1 -8.866 -12.226 -17.756 5 1HB MET 1 HB2 MET 1 -10.746 -14.286 -16.576 6 2HB MET 1 HB1 MET 1 -11.330 -12.871 -17.445 7 1HG MET 1 HG2 MET 1 -11.246 -14.617 -19.035 8 2HG MET 1 HG1 MET 1 -9.865 -13.585 -19.374 9 1HE MET 1 HE1 MET 1 -9.559 -15.713 -20.879 10 2HE MET 1 HE3 MET 1 -8.560 -17.079 -20.364 11 3HE MET 1 HE2 MET 1 -10.301 -17.110 -20.101 12 H GLU 2 HN GLU 2 -8.030 -10.659 -16.323 13 HA GLU 2 HA GLU 2 -9.981 -9.599 -14.461 14 1HB GLU 2 HB2 GLU 2 -8.401 -9.429 -12.637 15 2HB GLU 2 HB1 GLU 2 -8.602 -11.106 -13.133 16 1HG GLU 2 HG2 GLU 2 -6.516 -9.877 -14.656 17 2HG GLU 2 HG1 GLU 2 -6.207 -9.658 -12.947 18 H GLY 3 HN GLY 3 -9.225 -7.426 -13.609 19 1HA GLY 3 HA2 GLY 3 -7.251 -5.810 -14.403 20 2HA GLY 3 HA1 GLY 3 -8.240 -5.849 -15.859 21 H PHE 4 HN PHE 4 -8.004 -3.468 -14.971 22 HA PHE 4 HA PHE 4 -9.873 -2.672 -12.922 23 1HB PHE 4 HB2 PHE 4 -8.190 -1.194 -14.927 24 2HB PHE 4 HB1 PHE 4 -9.393 -0.348 -13.966 25 HD1 PHE 4 HD1 PHE 4 -9.275 -0.656 -11.389 26 HD2 PHE 4 HD2 PHE 4 -6.075 -1.558 -14.071 27 HE1 PHE 4 HE1 PHE 4 -7.668 -0.498 -9.528 28 HE2 PHE 4 HE2 PHE 4 -4.478 -1.398 -12.211 29 HZ PHE 4 HZ PHE 4 -5.342 -0.868 -9.879 30 H LEU 5 HN LEU 5 -11.822 -1.676 -13.167 31 HA LEU 5 HA LEU 5 -13.041 -1.268 -15.782 32 1HB LEU 5 HB2 LEU 5 -13.780 -3.501 -13.920 33 2HB LEU 5 HB1 LEU 5 -15.072 -2.664 -14.766 34 HG LEU 5 HG LEU 5 -12.718 -4.036 -16.068 35 1HD1 LEU 5 HD13 LEU 5 -15.542 -4.853 -15.499 36 2HD1 LEU 5 HD12 LEU 5 -14.720 -5.471 -16.930 37 3HD1 LEU 5 HD11 LEU 5 -14.049 -5.778 -15.327 38 1HD2 LEU 5 HD23 LEU 5 -14.970 -2.373 -17.125 39 2HD2 LEU 5 HD22 LEU 5 -13.278 -2.422 -17.625 40 3HD2 LEU 5 HD21 LEU 5 -14.373 -3.719 -18.092 41 H ASN 6 HN ASN 6 -14.865 0.069 -15.668 42 HA ASN 6 HA ASN 6 -15.224 1.528 -13.126 43 1HB ASN 6 HB2 ASN 6 -15.085 2.409 -15.789 44 2HB ASN 6 HB1 ASN 6 -16.795 2.504 -15.388 45 1HD2 ASN 6 HD22 ASN 6 -14.101 4.888 -13.421 46 2HD2 ASN 6 HD21 ASN 6 -13.576 3.454 -14.245 47 H ARG 7 HN ARG 7 -16.813 0.801 -11.823 48 HA ARG 7 HA ARG 7 -19.004 -0.793 -13.023 49 1HB ARG 7 HB2 ARG 7 -17.522 -1.843 -11.301 50 2HB ARG 7 HB1 ARG 7 -18.125 -0.672 -10.135 51 1HG ARG 7 HG2 ARG 7 -20.434 -1.512 -10.540 52 2HG ARG 7 HG1 ARG 7 -19.769 -2.735 -11.616 53 1HD ARG 7 HD2 ARG 7 -20.169 -3.706 -9.412 54 2HD ARG 7 HD1 ARG 7 -18.431 -3.634 -9.719 55 HE ARG 7 HE ARG 7 -19.012 -1.274 -8.402 56 1HH1 ARG 7 HH21 ARG 7 -21.079 -2.496 -6.738 57 2HH1 ARG 7 HH22 ARG 7 -20.195 -3.271 -5.454 58 1HH2 ARG 7 HH11 ARG 7 -17.155 -3.284 -7.214 59 2HH2 ARG 7 HH12 ARG 7 -17.951 -3.746 -5.737 60 H LYS 8 HN LYS 8 -21.072 -0.270 -12.788 61 HA LYS 8 HA LYS 8 -21.889 1.956 -11.028 62 1HB LYS 8 HB2 LYS 8 -21.608 2.751 -13.378 63 2HB LYS 8 HB1 LYS 8 -22.814 1.593 -13.887 64 1HG LYS 8 HG2 LYS 8 -23.782 3.184 -11.667 65 2HG LYS 8 HG1 LYS 8 -23.240 4.215 -12.982 66 1HD LYS 8 HD2 LYS 8 -24.782 3.317 -14.501 67 2HD LYS 8 HD1 LYS 8 -25.043 1.871 -13.522 68 1HE LYS 8 HE2 LYS 8 -26.490 2.931 -12.085 69 2HE LYS 8 HE1 LYS 8 -25.745 4.509 -12.317 70 1HZ LYS 8 HZ3 LYS 8 -26.709 4.391 -14.648 71 2HZ LYS 8 HZ2 LYS 8 -27.680 3.103 -14.076 72 3HZ LYS 8 HZ1 LYS 8 -27.800 4.655 -13.374 73 H HIS 9 HN HIS 9 -23.338 1.094 -9.670 74 HA HIS 9 HA HIS 9 -24.792 -1.313 -10.362 75 1HB HIS 9 HB2 HIS 9 -25.699 -1.175 -8.073 76 2HB HIS 9 HB1 HIS 9 -23.951 -1.172 -8.121 77 HD1 HIS 9 HD1 HIS 9 -25.343 -0.180 -5.637 78 HD2 HIS 9 HD2 HIS 9 -24.223 2.340 -8.727 79 HE1 HIS 9 HE1 HIS 9 -25.132 2.090 -4.589 80 H GLU 10 HN GLU 10 -26.302 -0.994 -11.845 81 HA GLU 10 HA GLU 10 -27.965 1.321 -12.068 82 1HB GLU 10 HB2 GLU 10 -27.476 0.059 -14.046 83 2HB GLU 10 HB1 GLU 10 -28.041 -1.434 -13.311 84 1HG GLU 10 HG2 GLU 10 -29.655 -0.563 -14.945 85 2HG GLU 10 HG1 GLU 10 -30.345 -0.610 -13.327 86 H TRP 11 HN TRP 11 -28.525 -1.997 -10.960 87 HA TRP 11 HA TRP 11 -30.613 -1.079 -9.133 88 1HB TRP 11 HB2 TRP 11 -31.828 -1.602 -11.211 89 2HB TRP 11 HB1 TRP 11 -31.094 -3.199 -11.252 90 HD1 TRP 11 HD1 TRP 11 -33.426 -1.156 -8.857 91 HE1 TRP 11 HE1 TRP 11 -35.046 -2.820 -7.780 92 HE3 TRP 11 HE3 TRP 11 -31.649 -5.536 -10.841 93 HZ2 TRP 11 HZ2 TRP 11 -35.518 -5.586 -7.741 94 HZ3 TRP 11 HZ3 TRP 11 -32.735 -7.665 -10.217 95 HH2 TRP 11 HH2 TRP 11 -34.650 -7.685 -8.685 96 H GLU 12 HN GLU 12 -30.675 -2.290 -7.313 97 HA GLU 12 HA GLU 12 -29.111 -4.801 -7.170 98 1HB GLU 12 HB2 GLU 12 -29.034 -2.579 -5.109 99 2HB GLU 12 HB1 GLU 12 -28.168 -4.110 -5.034 100 1HG GLU 12 HG2 GLU 12 -27.215 -3.283 -7.382 101 2HG GLU 12 HG1 GLU 12 -27.645 -1.700 -6.735 102 H ALA 13 HN ALA 13 -31.497 -2.707 -5.564 103 HA ALA 13 HA ALA 13 -33.224 -4.955 -5.002 104 1HB ALA 13 HB2 ALA 13 -31.837 -3.467 -2.758 105 2HB ALA 13 HB1 ALA 13 -33.295 -4.432 -2.522 106 3HB ALA 13 HB3 ALA 13 -31.808 -5.201 -3.078 107 H HIS 14 HN HIS 14 -35.210 -4.170 -3.807 108 HA HIS 14 HA HIS 14 -37.034 -2.798 -3.629 109 1HB HIS 14 HB2 HIS 14 -35.116 -0.470 -3.972 110 2HB HIS 14 HB1 HIS 14 -36.745 -0.405 -3.330 111 HD1 HIS 14 HD1 HIS 14 -37.119 -1.319 -0.931 112 HD2 HIS 14 HD2 HIS 14 -33.155 -1.282 -2.129 113 HE1 HIS 14 HE1 HIS 14 -35.799 -1.672 1.169 114 H ASN 15 HN ASN 15 -37.889 -0.547 -4.912 115 HA ASN 15 HA ASN 15 -37.766 -1.315 -7.785 116 1HB ASN 15 HB2 ASN 15 -39.993 -0.122 -6.117 117 2HB ASN 15 HB1 ASN 15 -40.024 -0.116 -7.878 118 1HD2 ASN 15 HD22 ASN 15 -40.681 -3.552 -8.214 119 2HD2 ASN 15 HD21 ASN 15 -40.094 -2.116 -8.993 120 H LYS 16 HN LYS 16 -35.732 0.226 -6.893 121 HA LYS 16 HA LYS 16 -36.179 2.761 -8.296 122 1HB LYS 16 HB2 LYS 16 -35.081 2.568 -5.479 123 2HB LYS 16 HB1 LYS 16 -34.977 4.005 -6.492 124 1HG LYS 16 HG2 LYS 16 -37.484 3.976 -6.659 125 2HG LYS 16 HG1 LYS 16 -37.493 2.695 -5.450 126 1HD LYS 16 HD2 LYS 16 -36.097 5.318 -4.951 127 2HD LYS 16 HD1 LYS 16 -37.820 5.119 -4.635 128 1HE LYS 16 HE2 LYS 16 -37.417 4.058 -2.706 129 2HE LYS 16 HE1 LYS 16 -36.341 2.913 -3.500 130 1HZ LYS 16 HZ3 LYS 16 -34.632 4.784 -3.387 131 2HZ LYS 16 HZ2 LYS 16 -35.677 5.500 -2.238 132 3HZ LYS 16 HZ1 LYS 16 -35.003 3.956 -1.951 133 H LYS 17 HN LYS 17 -34.264 3.669 -9.125 134 HA LYS 17 HA LYS 17 -32.016 1.771 -9.388 135 1HB LYS 17 HB2 LYS 17 -31.325 3.390 -11.240 136 2HB LYS 17 HB1 LYS 17 -32.800 2.468 -11.510 137 1HG LYS 17 HG2 LYS 17 -34.121 4.314 -11.476 138 2HG LYS 17 HG1 LYS 17 -33.210 5.071 -10.175 139 1HD LYS 17 HD2 LYS 17 -32.939 6.431 -12.121 140 2HD LYS 17 HD1 LYS 17 -31.412 5.606 -11.845 141 1HE LYS 17 HE2 LYS 17 -33.245 4.111 -13.580 142 2HE LYS 17 HE1 LYS 17 -32.804 5.686 -14.231 143 1HZ LYS 17 HZ1 LYS 17 -30.424 4.795 -13.452 144 2HZ LYS 17 HZ3 LYS 17 -31.172 3.312 -13.820 145 3HZ LYS 17 HZ2 LYS 17 -31.069 4.528 -15.010 146 H ALA 18 HN ALA 18 -29.820 2.560 -9.196 147 HA ALA 18 HA ALA 18 -29.495 4.411 -6.978 148 1HB ALA 18 HB3 ALA 18 -28.167 2.198 -7.503 149 2HB ALA 18 HB2 ALA 18 -27.175 3.270 -8.494 150 3HB ALA 18 HB1 ALA 18 -27.351 3.578 -6.766 151 H SER 19 HN SER 19 -28.818 6.480 -7.073 152 HA SER 19 HA SER 19 -27.559 7.575 -9.487 153 1HB SER 19 HB2 SER 19 -30.108 8.783 -8.375 154 2HB SER 19 HB1 SER 19 -29.186 9.347 -9.767 155 HG SER 19 HG SER 19 -29.953 6.691 -9.881 156 H SER 20 HN SER 20 -26.291 7.159 -7.166 157 HA SER 20 HA SER 20 -25.571 9.833 -6.298 158 1HB SER 20 HB2 SER 20 -26.565 7.803 -4.269 159 2HB SER 20 HB1 SER 20 -25.828 9.362 -3.900 160 HG SER 20 HG SER 20 -27.792 9.857 -5.594 161 H ARG 21 HN ARG 21 -23.526 9.557 -6.995 162 HA ARG 21 HA ARG 21 -21.336 8.887 -7.066 163 1HB ARG 21 HB2 ARG 21 -21.899 7.255 -4.574 164 2HB ARG 21 HB1 ARG 21 -20.337 7.815 -5.157 165 1HG ARG 21 HG2 ARG 21 -20.585 9.850 -4.238 166 2HG ARG 21 HG1 ARG 21 -22.260 9.992 -4.755 167 1HD ARG 21 HD2 ARG 21 -22.295 9.984 -2.373 168 2HD ARG 21 HD1 ARG 21 -22.860 8.391 -2.881 169 HE ARG 21 HE ARG 21 -20.246 9.028 -1.646 170 1HH1 ARG 21 HH21 ARG 21 -19.070 6.976 -2.961 171 2HH1 ARG 21 HH22 ARG 21 -19.678 5.474 -2.313 172 1HH2 ARG 21 HH11 ARG 21 -22.558 6.925 -0.890 173 2HH2 ARG 21 HH12 ARG 21 -21.686 5.435 -1.167 174 H SER 22 HN SER 22 -23.434 7.407 -8.415 175 HA SER 22 HA SER 22 -22.614 4.601 -8.327 176 1HB SER 22 HB2 SER 22 -24.691 5.962 -10.054 177 2HB SER 22 HB1 SER 22 -24.481 4.230 -9.809 178 HG SER 22 HG SER 22 -25.045 4.519 -7.616 179 H TRP 23 HN TRP 23 -20.506 4.921 -9.076 180 HA TRP 23 HA TRP 23 -19.788 4.145 -11.543 181 1HB TRP 23 HB2 TRP 23 -20.305 7.096 -11.622 182 2HB TRP 23 HB1 TRP 23 -18.830 6.534 -12.386 183 HD1 TRP 23 HD1 TRP 23 -22.103 7.449 -13.439 184 HE1 TRP 23 HE1 TRP 23 -22.885 6.176 -15.511 185 HE3 TRP 23 HE3 TRP 23 -18.683 3.622 -13.487 186 HZ2 TRP 23 HZ2 TRP 23 -22.208 3.870 -16.973 187 HZ3 TRP 23 HZ3 TRP 23 -18.811 1.925 -15.260 188 HH2 TRP 23 HH2 TRP 23 -20.553 2.050 -16.998 189 H HIS 24 HN HIS 24 -18.025 3.214 -10.595 190 HA HIS 24 HA HIS 24 -15.878 4.974 -9.625 191 1HB HIS 24 HB2 HIS 24 -15.507 3.398 -7.655 192 2HB HIS 24 HB1 HIS 24 -16.877 4.496 -7.544 193 HD1 HIS 24 HD1 HIS 24 -18.878 3.395 -6.627 194 HD2 HIS 24 HD2 HIS 24 -16.527 0.686 -8.694 195 HE1 HIS 24 HE1 HIS 24 -20.062 1.204 -6.400 196 H ASN 25 HN ASN 25 -13.818 4.121 -9.754 197 HA ASN 25 HA ASN 25 -13.426 1.988 -11.700 198 1HB ASN 25 HB2 ASN 25 -12.055 4.036 -11.792 199 2HB ASN 25 HB1 ASN 25 -11.449 3.717 -10.170 200 1HD2 ASN 25 HD22 ASN 25 -8.676 2.231 -11.736 201 2HD2 ASN 25 HD21 ASN 25 -9.301 3.553 -10.794 202 H VAL 26 HN VAL 26 -13.224 -0.089 -11.111 203 HA VAL 26 HA VAL 26 -12.016 -0.772 -8.507 204 HB VAL 26 HB VAL 26 -14.645 -0.781 -8.680 205 1HG1 VAL 26 HG13 VAL 26 -14.590 -2.255 -10.744 206 2HG1 VAL 26 HG12 VAL 26 -14.122 -3.573 -9.664 207 3HG1 VAL 26 HG11 VAL 26 -15.673 -2.757 -9.444 208 1HG2 VAL 26 HG23 VAL 26 -13.340 -1.486 -6.741 209 2HG2 VAL 26 HG22 VAL 26 -14.758 -2.500 -7.005 210 3HG2 VAL 26 HG21 VAL 26 -13.162 -3.094 -7.457 211 H TYR 27 HN TYR 27 -11.225 -2.981 -8.416 212 HA TYR 27 HA TYR 27 -10.275 -3.929 -11.056 213 1HB TYR 27 HB2 TYR 27 -8.676 -3.286 -9.163 214 2HB TYR 27 HB1 TYR 27 -9.207 -4.749 -8.356 215 HD1 TYR 27 HD2 TYR 27 -8.667 -6.949 -9.266 216 HD2 TYR 27 HD1 TYR 27 -7.258 -3.373 -11.125 217 HE1 TYR 27 HE2 TYR 27 -7.054 -8.267 -10.573 218 HE2 TYR 27 HE1 TYR 27 -5.633 -4.696 -12.416 219 HH TYR 27 HH TYR 27 -5.193 -6.862 -13.171 220 H CYS 28 HN CYS 28 -11.452 -5.525 -11.882 221 HA CYS 28 HA CYS 28 -12.860 -7.414 -10.088 222 1HB CYS 28 HB2 CYS 28 -13.300 -7.045 -13.053 223 2HB CYS 28 HB1 CYS 28 -14.354 -7.837 -11.889 224 HG CYS 28 HG CYS 28 -13.941 -4.863 -11.330 225 H VAL 29 HN VAL 29 -12.364 -9.522 -10.047 226 HA VAL 29 HA VAL 29 -10.544 -10.644 -12.108 227 HB VAL 29 HB VAL 29 -10.444 -11.177 -9.128 228 1HG1 VAL 29 HG11 VAL 29 -9.221 -12.528 -11.469 229 2HG1 VAL 29 HG13 VAL 29 -8.170 -12.254 -10.081 230 3HG1 VAL 29 HG12 VAL 29 -9.661 -13.174 -9.885 231 1HG2 VAL 29 HG21 VAL 29 -9.182 -9.132 -10.690 232 2HG2 VAL 29 HG23 VAL 29 -9.050 -9.452 -8.960 233 3HG2 VAL 29 HG22 VAL 29 -7.956 -10.247 -10.094 234 H ILE 30 HN ILE 30 -11.529 -12.274 -13.125 235 HA ILE 30 HA ILE 30 -13.888 -13.555 -11.946 236 HB ILE 30 HB ILE 30 -12.621 -13.847 -14.680 237 1HG1 ILE 30 HG12 ILE 30 -15.134 -12.353 -13.880 238 2HG1 ILE 30 HG11 ILE 30 -13.580 -11.591 -14.187 239 1HG2 ILE 30 HG21 ILE 30 -15.032 -15.093 -13.423 240 2HG2 ILE 30 HG23 ILE 30 -15.036 -14.748 -15.153 241 3HG2 ILE 30 HG22 ILE 30 -13.809 -15.814 -14.470 242 1HD1 ILE 30 HD11 ILE 30 -15.032 -13.282 -16.225 243 2HD1 ILE 30 HD13 ILE 30 -15.152 -11.525 -16.139 244 3HD1 ILE 30 HD12 ILE 30 -13.600 -12.286 -16.489 245 H ASN 31 HN ASN 31 -13.944 -15.589 -11.195 246 HA ASN 31 HA ASN 31 -11.670 -17.417 -11.651 247 1HB ASN 31 HB2 ASN 31 -11.382 -16.209 -9.458 248 2HB ASN 31 HB1 ASN 31 -12.907 -16.909 -8.924 249 1HD2 ASN 31 HD22 ASN 31 -10.916 -19.481 -7.564 250 2HD2 ASN 31 HD21 ASN 31 -11.907 -18.088 -7.256 251 H ASN 32 HN ASN 32 -12.775 -18.810 -12.910 252 HA ASN 32 HA ASN 32 -14.169 -20.485 -13.555 253 1HB ASN 32 HB2 ASN 32 -14.133 -20.751 -10.587 254 2HB ASN 32 HB1 ASN 32 -15.404 -21.624 -11.439 255 1HD2 ASN 32 HD22 ASN 32 -11.808 -23.237 -11.304 256 2HD2 ASN 32 HD21 ASN 32 -12.459 -22.065 -10.195 257 H GLN 33 HN GLN 33 -16.352 -19.907 -10.871 258 HA GLN 33 HA GLN 33 -18.269 -18.559 -12.700 259 1HB GLN 33 HB2 GLN 33 -18.895 -20.788 -10.743 260 2HB GLN 33 HB1 GLN 33 -20.070 -19.923 -11.736 261 1HG GLN 33 HG2 GLN 33 -18.677 -20.693 -13.753 262 2HG GLN 33 HG1 GLN 33 -17.886 -21.806 -12.637 263 1HE2 GLN 33 HE22 GLN 33 -21.311 -22.901 -14.283 264 2HE2 GLN 33 HE21 GLN 33 -20.241 -21.661 -14.874 265 H GLU 34 HN GLU 34 -16.450 -17.476 -10.691 266 HA GLU 34 HA GLU 34 -18.365 -15.939 -9.111 267 1HB GLU 34 HB2 GLU 34 -17.460 -17.991 -7.787 268 2HB GLU 34 HB1 GLU 34 -15.943 -17.095 -7.733 269 1HG GLU 34 HG2 GLU 34 -16.880 -15.349 -6.460 270 2HG GLU 34 HG1 GLU 34 -18.527 -15.807 -6.884 271 H MET 35 HN MET 35 -17.347 -13.958 -8.275 272 HA MET 35 HA MET 35 -14.722 -13.293 -9.394 273 1HB MET 35 HB2 MET 35 -15.525 -11.264 -10.479 274 2HB MET 35 HB1 MET 35 -16.306 -12.679 -11.171 275 1HG MET 35 HG2 MET 35 -18.301 -12.237 -9.791 276 2HG MET 35 HG1 MET 35 -17.529 -10.799 -9.137 277 1HE MET 35 HE2 MET 35 -16.659 -8.938 -10.447 278 2HE MET 35 HE1 MET 35 -16.218 -9.391 -12.094 279 3HE MET 35 HE3 MET 35 -17.523 -8.234 -11.809 280 H GLY 36 HN GLY 36 -13.695 -11.594 -8.384 281 1HA GLY 36 HA2 GLY 36 -14.922 -10.625 -5.866 282 2HA GLY 36 HA1 GLY 36 -13.222 -11.046 -6.025 283 H PHE 37 HN PHE 37 -14.740 -8.489 -5.384 284 HA PHE 37 HA PHE 37 -13.675 -6.682 -7.472 285 1HB PHE 37 HB2 PHE 37 -15.703 -6.252 -5.264 286 2HB PHE 37 HB1 PHE 37 -15.098 -4.968 -6.303 287 HD1 PHE 37 HD1 PHE 37 -15.356 -5.342 -8.874 288 HD2 PHE 37 HD2 PHE 37 -17.595 -7.447 -5.903 289 HE1 PHE 37 HE1 PHE 37 -17.083 -5.881 -10.548 290 HE2 PHE 37 HE2 PHE 37 -19.311 -7.988 -7.585 291 HZ PHE 37 HZ PHE 37 -19.045 -7.217 -9.914 292 H TYR 38 HN TYR 38 -11.608 -6.214 -7.018 293 HA TYR 38 HA TYR 38 -10.823 -5.545 -4.229 294 1HB TYR 38 HB2 TYR 38 -9.080 -6.391 -6.557 295 2HB TYR 38 HB1 TYR 38 -8.540 -6.087 -4.912 296 HD1 TYR 38 HD1 TYR 38 -9.030 -7.652 -3.119 297 HD2 TYR 38 HD2 TYR 38 -10.261 -8.427 -7.129 298 HE1 TYR 38 HE1 TYR 38 -9.427 -10.001 -2.536 299 HE2 TYR 38 HE2 TYR 38 -10.666 -10.784 -6.545 300 HH TYR 38 HH TYR 38 -10.652 -12.314 -4.946 301 H LYS 39 HN LYS 39 -8.780 -4.023 -4.324 302 HA LYS 39 HA LYS 39 -9.661 -1.543 -5.541 303 1HB LYS 39 HB2 LYS 39 -8.603 -1.841 -3.209 304 2HB LYS 39 HB1 LYS 39 -7.066 -1.932 -4.058 305 1HG LYS 39 HG2 LYS 39 -7.244 0.260 -4.870 306 2HG LYS 39 HG1 LYS 39 -8.976 0.339 -4.549 307 1HD LYS 39 HD2 LYS 39 -8.561 0.350 -2.147 308 2HD LYS 39 HD1 LYS 39 -6.830 0.170 -2.422 309 1HE LYS 39 HE2 LYS 39 -6.721 2.342 -3.485 310 2HE LYS 39 HE1 LYS 39 -8.470 2.518 -3.398 311 1HZ LYS 39 HZ1 LYS 39 -7.606 2.009 -0.813 312 2HZ LYS 39 HZ3 LYS 39 -6.513 3.153 -1.451 313 3HZ LYS 39 HZ2 LYS 39 -8.190 3.482 -1.447 314 H ASP 40 HN ASP 40 -6.963 -3.801 -5.944 315 HA ASP 40 HA ASP 40 -6.531 -2.999 -8.676 316 1HB ASP 40 HB2 ASP 40 -4.350 -2.122 -8.524 317 2HB ASP 40 HB1 ASP 40 -5.237 -1.300 -7.247 318 H ALA 41 HN ALA 41 -4.138 -4.104 -9.221 319 HA ALA 41 HA ALA 41 -4.639 -6.899 -9.220 320 1HB ALA 41 HB1 ALA 41 -3.311 -5.708 -10.952 321 2HB ALA 41 HB3 ALA 41 -2.022 -5.474 -9.767 322 3HB ALA 41 HB2 ALA 41 -2.469 -7.105 -10.283 323 H LYS 42 HN LYS 42 -2.517 -4.871 -7.200 324 HA LYS 42 HA LYS 42 -1.210 -7.047 -5.857 325 1HB LYS 42 HB2 LYS 42 -1.608 -4.190 -4.927 326 2HB LYS 42 HB1 LYS 42 -0.458 -5.347 -4.266 327 1HG LYS 42 HG2 LYS 42 0.633 -5.478 -6.500 328 2HG LYS 42 HG1 LYS 42 -0.447 -4.212 -7.071 329 1HD LYS 42 HD2 LYS 42 1.075 -3.656 -4.571 330 2HD LYS 42 HD1 LYS 42 1.999 -3.704 -6.070 331 1HE LYS 42 HE2 LYS 42 1.235 -1.419 -5.559 332 2HE LYS 42 HE1 LYS 42 0.550 -2.018 -7.066 333 1HZ LYS 42 HZ1 LYS 42 -0.884 -2.103 -4.466 334 2HZ LYS 42 HZ3 LYS 42 -1.054 -0.848 -5.610 335 3HZ LYS 42 HZ2 LYS 42 -1.514 -2.438 -6.017 336 H SER 43 HN SER 43 -4.058 -5.064 -5.170 337 HA SER 43 HA SER 43 -4.654 -6.070 -2.586 338 1HB SER 43 HB2 SER 43 -6.475 -4.917 -4.700 339 2HB SER 43 HB1 SER 43 -6.930 -5.188 -3.025 340 HG SER 43 HG SER 43 -4.982 -3.386 -4.056 341 H ALA 44 HN ALA 44 -5.426 -7.203 -5.828 342 HA ALA 44 HA ALA 44 -7.317 -9.214 -5.075 343 1HB ALA 44 HB2 ALA 44 -5.667 -8.795 -7.580 344 2HB ALA 44 HB1 ALA 44 -6.861 -10.084 -7.402 345 3HB ALA 44 HB3 ALA 44 -7.371 -8.396 -7.333 346 H ALA 45 HN ALA 45 -3.826 -9.129 -5.459 347 HA ALA 45 HA ALA 45 -3.438 -11.981 -5.226 348 1HB ALA 45 HB1 ALA 45 -1.540 -9.629 -5.162 349 2HB ALA 45 HB3 ALA 45 -1.016 -11.306 -5.025 350 3HB ALA 45 HB2 ALA 45 -1.823 -10.754 -6.492 351 H SER 46 HN SER 46 -2.934 -9.176 -3.110 352 HA SER 46 HA SER 46 -2.025 -10.693 -0.852 353 1HB SER 46 HB2 SER 46 -3.063 -7.855 -1.067 354 2HB SER 46 HB1 SER 46 -2.355 -8.552 0.392 355 HG SER 46 HG SER 46 -0.407 -8.824 -0.681 356 H GLY 47 HN GLY 47 -5.071 -8.864 -1.319 357 1HA GLY 47 HA2 GLY 47 -7.162 -10.217 -0.906 358 2HA GLY 47 HA1 GLY 47 -6.402 -10.686 0.615 359 H ILE 48 HN ILE 48 -6.863 -7.629 -1.166 360 HA ILE 48 HA ILE 48 -7.898 -6.359 1.310 361 HB ILE 48 HB ILE 48 -6.361 -5.193 -1.015 362 1HG1 ILE 48 HG12 ILE 48 -5.647 -4.979 1.891 363 2HG1 ILE 48 HG11 ILE 48 -5.229 -6.427 0.978 364 1HG2 ILE 48 HG22 ILE 48 -8.123 -3.886 0.961 365 2HG2 ILE 48 HG21 ILE 48 -6.539 -3.145 0.748 366 3HG2 ILE 48 HG23 ILE 48 -7.613 -3.340 -0.637 367 1HD1 ILE 48 HD13 ILE 48 -4.378 -4.385 -0.680 368 2HD1 ILE 48 HD12 ILE 48 -4.011 -3.773 0.933 369 3HD1 ILE 48 HD11 ILE 48 -3.355 -5.324 0.408 370 HA PRO 49 HA PRO 49 -11.549 -6.543 -1.359 371 1HB PRO 49 HB2 PRO 49 -13.369 -6.065 0.601 372 2HB PRO 49 HB1 PRO 49 -12.631 -7.644 0.305 373 1HG PRO 49 HG2 PRO 49 -12.013 -5.633 2.401 374 2HG PRO 49 HG1 PRO 49 -12.005 -7.400 2.497 375 1HD PRO 49 HD2 PRO 49 -9.748 -5.835 2.236 376 2HD PRO 49 HD1 PRO 49 -9.852 -7.542 1.763 377 H TYR 50 HN TYR 50 -13.248 -5.145 -1.982 378 HA TYR 50 HA TYR 50 -12.950 -2.276 -1.305 379 1HB TYR 50 HB2 TYR 50 -11.983 -3.105 -3.589 380 2HB TYR 50 HB1 TYR 50 -13.668 -3.236 -4.072 381 HD1 TYR 50 HD1 TYR 50 -10.955 -0.940 -3.177 382 HD2 TYR 50 HD2 TYR 50 -15.038 -1.261 -4.376 383 HE1 TYR 50 HE1 TYR 50 -10.994 1.468 -3.703 384 HE2 TYR 50 HE2 TYR 50 -15.070 1.145 -4.907 385 HH TYR 50 HH TYR 50 -13.480 2.924 -5.495 386 H HIS 51 HN HIS 51 -14.866 -1.327 -0.804 387 HA HIS 51 HA HIS 51 -17.092 -0.976 -0.439 388 1HB HIS 51 HB2 HIS 51 -17.062 -2.381 -3.011 389 2HB HIS 51 HB1 HIS 51 -18.525 -2.720 -2.105 390 HD1 HIS 51 HD1 HIS 51 -20.077 -0.711 -1.597 391 HD2 HIS 51 HD2 HIS 51 -16.876 0.212 -4.051 392 HE1 HIS 51 HE1 HIS 51 -20.640 1.521 -2.582 393 H SER 52 HN SER 52 -19.282 -2.544 -0.144 394 HA SER 52 HA SER 52 -18.570 -4.164 2.140 395 1HB SER 52 HB2 SER 52 -21.283 -3.773 0.849 396 2HB SER 52 HB1 SER 52 -20.964 -4.454 2.441 397 HG SER 52 HG SER 52 -19.865 -1.934 1.929 398 H GLU 53 HN GLU 53 -20.374 -4.897 -0.873 399 HA GLU 53 HA GLU 53 -20.082 -7.757 -0.484 400 1HB GLU 53 HB2 GLU 53 -21.057 -6.419 -3.003 401 2HB GLU 53 HB1 GLU 53 -21.460 -8.012 -2.381 402 1HG GLU 53 HG2 GLU 53 -23.341 -6.999 -1.660 403 2HG GLU 53 HG1 GLU 53 -22.331 -6.434 -0.336 404 H VAL 54 HN VAL 54 -18.017 -8.485 -0.719 405 HA VAL 54 HA VAL 54 -16.363 -7.486 -2.935 406 HB VAL 54 HB VAL 54 -15.310 -9.569 -1.082 407 1HG1 VAL 54 HG12 VAL 54 -14.149 -8.247 -3.032 408 2HG1 VAL 54 HG11 VAL 54 -13.956 -7.009 -1.790 409 3HG1 VAL 54 HG13 VAL 54 -13.276 -8.616 -1.546 410 1HG2 VAL 54 HG21 VAL 54 -15.794 -6.712 -0.215 411 2HG2 VAL 54 HG23 VAL 54 -16.511 -8.162 0.495 412 3HG2 VAL 54 HG22 VAL 54 -14.782 -7.881 0.637 413 HA PRO 55 HA PRO 55 -16.656 -12.052 -4.199 414 1HB PRO 55 HB2 PRO 55 -17.840 -13.890 -2.582 415 2HB PRO 55 HB1 PRO 55 -16.156 -13.380 -2.402 416 1HG PRO 55 HG2 PRO 55 -18.449 -12.830 -0.685 417 2HG PRO 55 HG1 PRO 55 -16.723 -12.632 -0.347 418 1HD PRO 55 HD2 PRO 55 -18.674 -10.618 -1.129 419 2HD PRO 55 HD1 PRO 55 -17.008 -10.399 -0.571 420 H VAL 56 HN VAL 56 -18.032 -11.980 -5.880 421 HA VAL 56 HA VAL 56 -20.947 -12.256 -5.380 422 HB VAL 56 HB VAL 56 -19.545 -10.594 -7.485 423 1HG1 VAL 56 HG11 VAL 56 -22.439 -11.330 -7.126 424 2HG1 VAL 56 HG13 VAL 56 -21.967 -9.840 -7.943 425 3HG1 VAL 56 HG12 VAL 56 -21.449 -11.403 -8.587 426 1HG2 VAL 56 HG23 VAL 56 -21.085 -9.918 -4.980 427 2HG2 VAL 56 HG22 VAL 56 -19.492 -9.346 -5.491 428 3HG2 VAL 56 HG21 VAL 56 -20.945 -8.769 -6.309 429 H SER 57 HN SER 57 -21.993 -13.776 -6.545 430 HA SER 57 HA SER 57 -20.486 -15.786 -7.907 431 1HB SER 57 HB2 SER 57 -23.466 -15.573 -7.847 432 2HB SER 57 HB1 SER 57 -22.468 -17.008 -7.891 433 HG SER 57 HG SER 57 -22.825 -15.224 -5.711 434 H LEU 58 HN LEU 58 -20.278 -16.158 -10.045 435 HA LEU 58 HA LEU 58 -21.710 -14.407 -11.965 436 1HB LEU 58 HB2 LEU 58 -19.192 -13.949 -11.491 437 2HB LEU 58 HB1 LEU 58 -18.905 -15.418 -12.416 438 HG LEU 58 HG LEU 58 -20.281 -14.390 -14.273 439 1HD1 LEU 58 HD12 LEU 58 -20.467 -12.271 -12.263 440 2HD1 LEU 58 HD11 LEU 58 -19.950 -11.693 -13.847 441 3HD1 LEU 58 HD13 LEU 58 -21.462 -12.579 -13.686 442 1HD2 LEU 58 HD23 LEU 58 -17.767 -14.450 -14.202 443 2HD2 LEU 58 HD22 LEU 58 -18.445 -13.137 -15.162 444 3HD2 LEU 58 HD21 LEU 58 -17.809 -12.814 -13.545 445 H LYS 59 HN LYS 59 -22.740 -16.859 -11.219 446 HA LYS 59 HA LYS 59 -21.924 -18.820 -13.249 447 1HB LYS 59 HB2 LYS 59 -22.499 -19.325 -10.762 448 2HB LYS 59 HB1 LYS 59 -24.174 -19.187 -11.284 449 1HG LYS 59 HG2 LYS 59 -22.823 -20.834 -13.175 450 2HG LYS 59 HG1 LYS 59 -22.382 -21.403 -11.568 451 1HD LYS 59 HD2 LYS 59 -24.696 -21.699 -10.961 452 2HD LYS 59 HD1 LYS 59 -25.238 -20.905 -12.441 453 1HE LYS 59 HE2 LYS 59 -24.393 -22.718 -13.793 454 2HE LYS 59 HE1 LYS 59 -23.610 -23.460 -12.400 455 1HZ LYS 59 HZ2 LYS 59 -26.510 -23.019 -12.302 456 2HZ LYS 59 HZ1 LYS 59 -25.915 -24.289 -13.276 457 3HZ LYS 59 HZ3 LYS 59 -25.563 -24.257 -11.607 458 H GLU 60 HN GLU 60 -22.761 -18.511 -15.211 459 HA GLU 60 HA GLU 60 -24.220 -18.147 -16.932 460 1HB GLU 60 HB2 GLU 60 -26.389 -18.731 -14.900 461 2HB GLU 60 HB1 GLU 60 -26.548 -18.772 -16.655 462 1HG GLU 60 HG2 GLU 60 -24.776 -20.568 -16.679 463 2HG GLU 60 HG1 GLU 60 -24.906 -20.620 -14.921 464 H ALA 61 HN ALA 61 -23.294 -15.861 -15.969 465 HA ALA 61 HA ALA 61 -25.469 -14.010 -15.343 466 1HB ALA 61 HB3 ALA 61 -23.285 -13.783 -14.221 467 2HB ALA 61 HB2 ALA 61 -22.514 -13.506 -15.786 468 3HB ALA 61 HB1 ALA 61 -23.688 -12.346 -15.160 469 H ILE 62 HN ILE 62 -26.378 -12.614 -16.752 470 HA ILE 62 HA ILE 62 -25.811 -12.952 -19.592 471 HB ILE 62 HB ILE 62 -27.864 -11.165 -18.280 472 1HG1 ILE 62 HG12 ILE 62 -28.191 -14.004 -19.277 473 2HG1 ILE 62 HG11 ILE 62 -28.191 -13.509 -17.586 474 1HG2 ILE 62 HG23 ILE 62 -27.138 -11.796 -21.051 475 2HG2 ILE 62 HG22 ILE 62 -28.856 -11.981 -20.711 476 3HG2 ILE 62 HG21 ILE 62 -28.059 -10.438 -20.403 477 1HD1 ILE 62 HD11 ILE 62 -30.096 -11.865 -18.831 478 2HD1 ILE 62 HD13 ILE 62 -30.362 -13.476 -19.492 479 3HD1 ILE 62 HD12 ILE 62 -30.406 -13.222 -17.747 480 H CYS 63 HN CYS 63 -24.752 -11.530 -20.836 481 HA CYS 63 HA CYS 63 -23.958 -8.913 -19.678 482 1HB CYS 63 HB2 CYS 63 -22.251 -10.987 -20.031 483 2HB CYS 63 HB1 CYS 63 -22.138 -10.232 -21.611 484 HG CYS 63 HG CYS 63 -20.949 -9.157 -19.053 485 H GLU 64 HN GLU 64 -24.997 -7.384 -20.801 486 HA GLU 64 HA GLU 64 -25.468 -7.775 -23.702 487 1HB GLU 64 HB2 GLU 64 -26.833 -5.779 -21.889 488 2HB GLU 64 HB1 GLU 64 -27.304 -6.258 -23.515 489 1HG GLU 64 HG2 GLU 64 -27.817 -8.532 -22.693 490 2HG GLU 64 HG1 GLU 64 -27.359 -8.042 -21.060 491 H VAL 65 HN VAL 65 -24.042 -6.738 -24.945 492 HA VAL 65 HA VAL 65 -22.307 -4.701 -23.986 493 HB VAL 65 HB VAL 65 -21.349 -5.944 -25.653 494 1HG1 VAL 65 HG21 VAL 65 -24.007 -5.943 -26.971 495 2HG1 VAL 65 HG23 VAL 65 -22.563 -6.160 -27.964 496 3HG1 VAL 65 HG22 VAL 65 -22.887 -7.277 -26.636 497 1HG2 VAL 65 HG11 VAL 65 -21.128 -3.472 -26.086 498 2HG2 VAL 65 HG13 VAL 65 -20.823 -4.524 -27.469 499 3HG2 VAL 65 HG12 VAL 65 -22.358 -3.667 -27.337 500 H ALA 66 HN ALA 66 -22.411 -2.598 -24.037 501 HA ALA 66 HA ALA 66 -24.631 -1.203 -25.410 502 1HB ALA 66 HB1 ALA 66 -24.789 -1.371 -22.840 503 2HB ALA 66 HB3 ALA 66 -23.379 -0.305 -22.802 504 3HB ALA 66 HB2 ALA 66 -24.882 0.247 -23.544 505 H LEU 67 HN LEU 67 -23.129 -1.063 -27.170 506 HA LEU 67 HA LEU 67 -20.539 -0.108 -27.221 507 1HB LEU 67 HB2 LEU 67 -21.869 -1.047 -29.123 508 2HB LEU 67 HB1 LEU 67 -22.673 0.513 -29.275 509 HG LEU 67 HG LEU 67 -20.540 1.596 -29.755 510 1HD1 LEU 67 HD12 LEU 67 -19.423 -1.124 -29.160 511 2HD1 LEU 67 HD11 LEU 67 -18.581 -0.039 -30.262 512 3HD1 LEU 67 HD13 LEU 67 -18.877 0.458 -28.595 513 1HD2 LEU 67 HD23 LEU 67 -21.949 -0.010 -31.457 514 2HD2 LEU 67 HD22 LEU 67 -20.646 1.076 -31.936 515 3HD2 LEU 67 HD21 LEU 67 -20.309 -0.634 -31.647 516 H ASP 68 HN ASP 68 -23.503 1.865 -27.179 517 HA ASP 68 HA ASP 68 -21.870 4.192 -26.385 518 1HB ASP 68 HB2 ASP 68 -22.511 4.184 -28.902 519 2HB ASP 68 HB1 ASP 68 -24.147 4.519 -28.348 520 H TYR 69 HN TYR 69 -22.629 3.663 -24.288 521 HA TYR 69 HA TYR 69 -25.510 3.814 -23.758 522 1HB TYR 69 HB2 TYR 69 -24.293 2.086 -22.573 523 2HB TYR 69 HB1 TYR 69 -23.147 3.264 -21.941 524 HD1 TYR 69 HD1 TYR 69 -26.871 2.766 -22.032 525 HD2 TYR 69 HD2 TYR 69 -23.447 3.916 -19.756 526 HE1 TYR 69 HE1 TYR 69 -28.283 3.046 -20.035 527 HE2 TYR 69 HE2 TYR 69 -24.866 4.209 -17.770 528 HH TYR 69 HH TYR 69 -27.302 4.681 -17.291 529 H LYS 70 HN LYS 70 -25.610 6.055 -24.499 530 HA LYS 70 HA LYS 70 -25.828 8.300 -24.162 531 1HB LYS 70 HB2 LYS 70 -25.555 7.688 -21.213 532 2HB LYS 70 HB1 LYS 70 -26.395 9.036 -21.967 533 1HG LYS 70 HG2 LYS 70 -27.805 7.163 -23.125 534 2HG LYS 70 HG1 LYS 70 -27.203 6.143 -21.826 535 1HD LYS 70 HD2 LYS 70 -28.666 7.022 -20.365 536 2HD LYS 70 HD1 LYS 70 -28.176 8.664 -20.767 537 1HE LYS 70 HE2 LYS 70 -30.143 6.999 -22.344 538 2HE LYS 70 HE1 LYS 70 -30.573 8.262 -21.198 539 1HZ LYS 70 HZ2 LYS 70 -28.901 9.594 -22.779 540 2HZ LYS 70 HZ1 LYS 70 -29.543 8.489 -23.909 541 3HZ LYS 70 HZ3 LYS 70 -30.581 9.523 -23.043 542 H LYS 71 HN LYS 71 -23.586 8.296 -25.153 543 HA LYS 71 HA LYS 71 -21.564 9.302 -25.368 544 1HB LYS 71 HB2 LYS 71 -22.227 10.695 -22.763 545 2HB LYS 71 HB1 LYS 71 -20.942 11.137 -23.875 546 1HG LYS 71 HG2 LYS 71 -22.341 12.316 -25.146 547 2HG LYS 71 HG1 LYS 71 -23.437 10.947 -25.311 548 1HD LYS 71 HD2 LYS 71 -24.237 11.586 -22.925 549 2HD LYS 71 HD1 LYS 71 -23.433 13.123 -23.232 550 1HE LYS 71 HE2 LYS 71 -25.911 12.004 -24.420 551 2HE LYS 71 HE1 LYS 71 -25.515 13.670 -24.017 552 1HZ LYS 71 HZ2 LYS 71 -23.816 13.126 -26.048 553 2HZ LYS 71 HZ1 LYS 71 -25.210 12.250 -26.502 554 3HZ LYS 71 HZ3 LYS 71 -25.318 13.917 -26.205 555 H LYS 72 HN LYS 72 -21.870 6.767 -23.909 556 HA LYS 72 HA LYS 72 -19.217 6.704 -22.594 557 1HB LYS 72 HB2 LYS 72 -21.665 5.103 -21.785 558 2HB LYS 72 HB1 LYS 72 -20.050 4.945 -21.098 559 1HG LYS 72 HG2 LYS 72 -20.347 7.551 -20.696 560 2HG LYS 72 HG1 LYS 72 -22.054 7.130 -20.741 561 1HD LYS 72 HD2 LYS 72 -21.753 5.539 -18.928 562 2HD LYS 72 HD1 LYS 72 -20.011 5.801 -18.938 563 1HE LYS 72 HE2 LYS 72 -22.052 7.965 -18.363 564 2HE LYS 72 HE1 LYS 72 -21.241 7.027 -17.118 565 1HZ LYS 72 HZ1 LYS 72 -19.110 7.845 -17.962 566 2HZ LYS 72 HZ3 LYS 72 -19.936 8.826 -19.085 567 3HZ LYS 72 HZ2 LYS 72 -20.129 9.101 -17.413 568 H LYS 73 HN LYS 73 -18.005 5.755 -24.101 569 HA LYS 73 HA LYS 73 -19.088 3.800 -25.906 570 1HB LYS 73 HB2 LYS 73 -16.775 3.944 -26.929 571 2HB LYS 73 HB1 LYS 73 -17.762 5.400 -26.986 572 1HG LYS 73 HG2 LYS 73 -16.536 6.447 -25.253 573 2HG LYS 73 HG1 LYS 73 -15.747 4.941 -24.787 574 1HD LYS 73 HD2 LYS 73 -14.604 4.914 -27.002 575 2HD LYS 73 HD1 LYS 73 -15.329 6.480 -27.354 576 1HE LYS 73 HE2 LYS 73 -13.215 7.067 -26.564 577 2HE LYS 73 HE1 LYS 73 -14.222 7.245 -25.134 578 1HZ LYS 73 HZ1 LYS 73 -12.559 4.865 -25.779 579 2HZ LYS 73 HZ3 LYS 73 -12.154 6.072 -24.652 580 3HZ LYS 73 HZ2 LYS 73 -13.507 5.072 -24.370 581 H HIS 74 HN HIS 74 -18.738 1.824 -25.936 582 HA HIS 74 HA HIS 74 -18.131 -0.323 -25.490 583 1HB HIS 74 HB2 HIS 74 -15.575 0.684 -24.252 584 2HB HIS 74 HB1 HIS 74 -15.866 -0.838 -25.080 585 HD1 HIS 74 HD1 HIS 74 -16.219 -0.622 -27.757 586 HD2 HIS 74 HD2 HIS 74 -14.702 2.725 -25.867 587 HE1 HIS 74 HE1 HIS 74 -15.314 0.807 -29.595 588 H VAL 75 HN VAL 75 -19.935 0.252 -23.844 589 HA VAL 75 HA VAL 75 -19.044 -0.514 -21.120 590 HB VAL 75 HB VAL 75 -21.484 1.059 -22.008 591 1HG1 VAL 75 HG11 VAL 75 -20.716 -0.060 -19.328 592 2HG1 VAL 75 HG13 VAL 75 -21.743 1.366 -19.467 593 3HG1 VAL 75 HG12 VAL 75 -22.261 -0.168 -20.172 594 1HG2 VAL 75 HG21 VAL 75 -18.847 1.824 -20.930 595 2HG2 VAL 75 HG23 VAL 75 -19.953 2.715 -21.969 596 3HG2 VAL 75 HG22 VAL 75 -20.240 2.648 -20.224 597 H PHE 76 HN PHE 76 -20.285 -2.209 -20.115 598 HA PHE 76 HA PHE 76 -22.254 -3.553 -21.855 599 1HB PHE 76 HB2 PHE 76 -21.350 -5.762 -21.228 600 2HB PHE 76 HB1 PHE 76 -20.254 -4.814 -22.215 601 HD1 PHE 76 HD1 PHE 76 -18.187 -3.875 -21.257 602 HD2 PHE 76 HD2 PHE 76 -20.783 -6.393 -18.985 603 HE1 PHE 76 HE1 PHE 76 -16.366 -4.319 -19.660 604 HE2 PHE 76 HE2 PHE 76 -18.967 -6.822 -17.385 605 HZ PHE 76 HZ PHE 76 -16.753 -5.794 -17.725 606 H LYS 77 HN LYS 77 -23.978 -4.367 -20.875 607 HA LYS 77 HA LYS 77 -24.405 -3.660 -18.064 608 1HB LYS 77 HB2 LYS 77 -26.030 -3.013 -19.873 609 2HB LYS 77 HB1 LYS 77 -26.365 -4.729 -20.095 610 1HG LYS 77 HG2 LYS 77 -27.485 -4.940 -18.093 611 2HG LYS 77 HG1 LYS 77 -26.579 -3.642 -17.326 612 1HD LYS 77 HD2 LYS 77 -28.744 -2.760 -17.598 613 2HD LYS 77 HD1 LYS 77 -27.812 -2.053 -18.915 614 1HE LYS 77 HE2 LYS 77 -29.951 -2.783 -19.780 615 2HE LYS 77 HE1 LYS 77 -28.692 -3.820 -20.440 616 1HZ LYS 77 HZ1 LYS 77 -29.741 -4.869 -17.995 617 2HZ LYS 77 HZ3 LYS 77 -30.971 -4.624 -19.151 618 3HZ LYS 77 HZ2 LYS 77 -29.621 -5.595 -19.535 619 H LEU 78 HN LEU 78 -23.876 -5.135 -16.640 620 HA LEU 78 HA LEU 78 -24.012 -7.996 -17.266 621 1HB LEU 78 HB2 LEU 78 -22.251 -6.357 -15.710 622 2HB LEU 78 HB1 LEU 78 -22.991 -7.536 -14.638 623 HG LEU 78 HG LEU 78 -21.460 -8.067 -17.167 624 1HD1 LEU 78 HD21 LEU 78 -20.923 -8.450 -14.248 625 2HD1 LEU 78 HD23 LEU 78 -20.155 -9.511 -15.429 626 3HD1 LEU 78 HD22 LEU 78 -19.880 -7.767 -15.498 627 1HD2 LEU 78 HD11 LEU 78 -23.499 -9.679 -15.888 628 2HD2 LEU 78 HD13 LEU 78 -22.664 -9.940 -17.418 629 3HD2 LEU 78 HD12 LEU 78 -21.949 -10.514 -15.909 630 H ARG 79 HN ARG 79 -25.829 -9.000 -16.789 631 HA ARG 79 HA ARG 79 -27.401 -8.173 -14.414 632 1HB ARG 79 HB2 ARG 79 -28.579 -8.066 -16.639 633 2HB ARG 79 HB1 ARG 79 -28.343 -9.804 -16.787 634 1HG ARG 79 HG2 ARG 79 -29.663 -10.210 -14.794 635 2HG ARG 79 HG1 ARG 79 -29.796 -8.480 -14.493 636 1HD ARG 79 HD2 ARG 79 -30.792 -9.667 -17.073 637 2HD ARG 79 HD1 ARG 79 -31.781 -9.714 -15.613 638 HE ARG 79 HE ARG 79 -30.722 -7.084 -16.374 639 1HH1 ARG 79 HH21 ARG 79 -33.052 -7.216 -14.570 640 2HH1 ARG 79 HH22 ARG 79 -34.418 -6.968 -15.628 641 1HH2 ARG 79 HH11 ARG 79 -32.598 -7.665 -18.564 642 2HH2 ARG 79 HH12 ARG 79 -34.152 -7.188 -17.922 643 H LEU 80 HN LEU 80 -26.360 -9.309 -12.876 644 HA LEU 80 HA LEU 80 -25.405 -11.984 -13.177 645 1HB LEU 80 HB2 LEU 80 -25.990 -10.563 -10.573 646 2HB LEU 80 HB1 LEU 80 -24.849 -11.875 -10.847 647 HG LEU 80 HG LEU 80 -24.628 -9.019 -11.793 648 1HD1 LEU 80 HD12 LEU 80 -23.902 -9.770 -9.455 649 2HD1 LEU 80 HD11 LEU 80 -22.603 -10.634 -10.284 650 3HD1 LEU 80 HD13 LEU 80 -22.734 -8.878 -10.432 651 1HD2 LEU 80 HD22 LEU 80 -23.046 -11.434 -12.648 652 2HD2 LEU 80 HD21 LEU 80 -23.919 -10.293 -13.671 653 3HD2 LEU 80 HD23 LEU 80 -22.457 -9.779 -12.827 654 H SER 81 HN SER 81 -26.162 -13.883 -12.109 655 HA SER 81 HA SER 81 -28.874 -14.472 -12.451 656 1HB SER 81 HB2 SER 81 -27.928 -16.393 -10.672 657 2HB SER 81 HB1 SER 81 -27.864 -16.465 -12.428 658 HG SER 81 HG SER 81 -25.773 -16.539 -12.147 659 H ASP 82 HN ASP 82 -27.255 -13.038 -9.774 660 HA ASP 82 HA ASP 82 -29.110 -13.662 -7.689 661 1HB ASP 82 HB2 ASP 82 -26.665 -12.803 -7.506 662 2HB ASP 82 HB1 ASP 82 -27.358 -11.201 -7.750 663 H GLY 83 HN GLY 83 -28.950 -11.209 -10.185 664 1HA GLY 83 HA2 GLY 83 -31.183 -10.310 -10.844 665 2HA GLY 83 HA1 GLY 83 -31.409 -9.910 -9.142 666 H ASN 84 HN ASN 84 -28.676 -9.054 -8.682 667 HA ASN 84 HA ASN 84 -28.831 -6.321 -9.126 668 1HB ASN 84 HB2 ASN 84 -26.372 -8.034 -8.706 669 2HB ASN 84 HB1 ASN 84 -26.400 -6.276 -8.599 670 1HD2 ASN 84 HD22 ASN 84 -27.341 -6.347 -5.252 671 2HD2 ASN 84 HD21 ASN 84 -26.492 -5.584 -6.556 672 H GLU 85 HN GLU 85 -28.400 -4.988 -10.735 673 HA GLU 85 HA GLU 85 -27.128 -6.018 -13.201 674 1HB GLU 85 HB2 GLU 85 -29.382 -4.123 -12.677 675 2HB GLU 85 HB1 GLU 85 -28.368 -3.840 -14.094 676 1HG GLU 85 HG2 GLU 85 -28.800 -6.370 -14.589 677 2HG GLU 85 HG1 GLU 85 -30.147 -6.184 -13.467 678 H TYR 86 HN TYR 86 -25.173 -5.234 -13.622 679 HA TYR 86 HA TYR 86 -24.396 -2.583 -12.534 680 1HB TYR 86 HB2 TYR 86 -22.639 -5.024 -12.834 681 2HB TYR 86 HB1 TYR 86 -22.119 -3.444 -12.268 682 HD1 TYR 86 HD1 TYR 86 -23.109 -2.553 -10.103 683 HD2 TYR 86 HD2 TYR 86 -23.505 -6.621 -11.342 684 HE1 TYR 86 HE1 TYR 86 -23.668 -3.207 -7.794 685 HE2 TYR 86 HE2 TYR 86 -24.056 -7.268 -9.029 686 HH TYR 86 HH TYR 86 -23.965 -6.580 -6.848 687 H LEU 87 HN LEU 87 -23.495 -1.184 -13.957 688 HA LEU 87 HA LEU 87 -23.094 -2.074 -16.753 689 1HB LEU 87 HB2 LEU 87 -22.937 0.783 -15.780 690 2HB LEU 87 HB1 LEU 87 -23.193 0.202 -17.416 691 HG LEU 87 HG LEU 87 -25.125 0.249 -15.125 692 1HD1 LEU 87 HD12 LEU 87 -24.852 2.228 -16.614 693 2HD1 LEU 87 HD11 LEU 87 -25.383 1.226 -17.965 694 3HD1 LEU 87 HD13 LEU 87 -26.480 1.545 -16.615 695 1HD2 LEU 87 HD23 LEU 87 -25.103 -1.544 -17.501 696 2HD2 LEU 87 HD22 LEU 87 -25.726 -1.833 -15.875 697 3HD2 LEU 87 HD21 LEU 87 -26.647 -0.847 -17.007 698 H PHE 88 HN PHE 88 -21.055 -2.520 -17.367 699 HA PHE 88 HA PHE 88 -18.826 -1.441 -15.750 700 1HB PHE 88 HB2 PHE 88 -19.166 -3.982 -17.296 701 2HB PHE 88 HB1 PHE 88 -17.570 -3.394 -16.846 702 HD1 PHE 88 HD1 PHE 88 -17.060 -3.023 -14.407 703 HD2 PHE 88 HD2 PHE 88 -20.528 -5.128 -15.726 704 HE1 PHE 88 HE1 PHE 88 -17.277 -4.051 -12.183 705 HE2 PHE 88 HE2 PHE 88 -20.751 -6.153 -13.497 706 HZ PHE 88 HZ PHE 88 -19.125 -5.618 -11.725 707 H GLN 89 HN GLN 89 -17.650 0.083 -16.647 708 HA GLN 89 HA GLN 89 -17.710 0.506 -19.556 709 1HB GLN 89 HB2 GLN 89 -18.122 2.358 -17.823 710 2HB GLN 89 HB1 GLN 89 -16.398 2.282 -17.501 711 1HG GLN 89 HG2 GLN 89 -16.681 2.427 -20.321 712 2HG GLN 89 HG1 GLN 89 -17.783 3.625 -19.642 713 1HE2 GLN 89 HE22 GLN 89 -13.806 4.273 -19.623 714 2HE2 GLN 89 HE21 GLN 89 -14.544 2.897 -20.376 715 H ALA 90 HN ALA 90 -16.098 -0.160 -20.797 716 HA ALA 90 HA ALA 90 -13.545 -1.023 -19.594 717 1HB ALA 90 HB3 ALA 90 -14.943 -1.641 -22.198 718 2HB ALA 90 HB2 ALA 90 -13.249 -2.048 -21.930 719 3HB ALA 90 HB1 ALA 90 -14.500 -2.751 -20.902 720 H LYS 91 HN LYS 91 -11.585 -0.611 -20.984 721 HA LYS 91 HA LYS 91 -11.458 2.237 -21.603 722 1HB LYS 91 HB2 LYS 91 -9.070 1.928 -21.731 723 2HB LYS 91 HB1 LYS 91 -9.683 1.156 -20.276 724 1HG LYS 91 HG2 LYS 91 -9.759 -0.890 -22.144 725 2HG LYS 91 HG1 LYS 91 -8.301 -0.010 -22.579 726 1HD LYS 91 HD2 LYS 91 -7.539 -0.187 -20.223 727 2HD LYS 91 HD1 LYS 91 -8.975 -1.136 -19.847 728 1HE LYS 91 HE2 LYS 91 -8.117 -2.614 -21.870 729 2HE LYS 91 HE1 LYS 91 -6.569 -1.879 -21.472 730 1HZ LYS 91 HZ3 LYS 91 -8.172 -3.055 -19.312 731 2HZ LYS 91 HZ2 LYS 91 -7.311 -4.091 -20.365 732 3HZ LYS 91 HZ1 LYS 91 -6.482 -2.910 -19.457 733 H ASP 92 HN ASP 92 -11.418 -0.819 -23.334 734 HA ASP 92 HA ASP 92 -11.600 0.629 -25.894 735 1HB ASP 92 HB2 ASP 92 -9.192 -0.058 -25.522 736 2HB ASP 92 HB1 ASP 92 -9.730 -1.738 -25.528 737 H ASP 93 HN ASP 93 -12.267 -0.840 -27.662 738 HA ASP 93 HA ASP 93 -14.606 -2.309 -26.986 739 1HB ASP 93 HB2 ASP 93 -13.957 -1.032 -29.173 740 2HB ASP 93 HB1 ASP 93 -13.205 -2.553 -29.635 741 H GLU 94 HN GLU 94 -11.306 -3.242 -27.870 742 HA GLU 94 HA GLU 94 -11.665 -6.022 -28.211 743 1HB GLU 94 HB2 GLU 94 -9.324 -4.337 -27.329 744 2HB GLU 94 HB1 GLU 94 -9.199 -6.086 -27.464 745 1HG GLU 94 HG2 GLU 94 -10.286 -4.512 -29.776 746 2HG GLU 94 HG1 GLU 94 -8.548 -4.542 -29.496 747 H GLU 95 HN GLU 95 -10.909 -4.113 -25.326 748 HA GLU 95 HA GLU 95 -10.673 -6.231 -23.466 749 1HB GLU 95 HB2 GLU 95 -10.032 -3.732 -23.233 750 2HB GLU 95 HB1 GLU 95 -11.715 -3.488 -22.780 751 1HG GLU 95 HG2 GLU 95 -11.184 -5.504 -21.121 752 2HG GLU 95 HG1 GLU 95 -9.535 -4.924 -21.321 753 H MET 96 HN MET 96 -13.417 -4.127 -24.317 754 HA MET 96 HA MET 96 -15.366 -5.154 -22.591 755 1HB MET 96 HB2 MET 96 -15.572 -3.083 -23.954 756 2HB MET 96 HB1 MET 96 -15.791 -4.075 -25.391 757 1HG MET 96 HG2 MET 96 -17.589 -4.814 -23.201 758 2HG MET 96 HG1 MET 96 -17.799 -3.147 -23.722 759 1HE MET 96 HE1 MET 96 -17.709 -2.521 -26.157 760 2HE MET 96 HE3 MET 96 -17.269 -3.777 -27.322 761 3HE MET 96 HE2 MET 96 -18.931 -3.204 -27.228 762 H ASN 97 HN ASN 97 -14.542 -6.156 -25.907 763 HA ASN 97 HA ASN 97 -16.506 -8.167 -26.203 764 1HB ASN 97 HB2 ASN 97 -14.984 -7.086 -27.990 765 2HB ASN 97 HB1 ASN 97 -13.774 -8.265 -27.494 766 1HD2 ASN 97 HD22 ASN 97 -17.229 -9.612 -29.285 767 2HD2 ASN 97 HD21 ASN 97 -17.251 -8.166 -28.319 768 H THR 98 HN THR 98 -13.191 -8.292 -24.934 769 HA THR 98 HA THR 98 -13.066 -11.112 -24.559 770 HB THR 98 HB THR 98 -11.554 -9.050 -22.947 771 HG1 THR 98 HG1 THR 98 -11.344 -8.522 -25.150 772 1HG2 THR 98 HG22 THR 98 -10.951 -11.882 -23.816 773 2HG2 THR 98 HG21 THR 98 -9.770 -10.804 -23.069 774 3HG2 THR 98 HG23 THR 98 -11.206 -11.302 -22.169 775 H TRP 99 HN TRP 99 -14.015 -8.429 -22.418 776 HA TRP 99 HA TRP 99 -14.406 -9.892 -20.037 777 1HB TRP 99 HB2 TRP 99 -15.515 -7.305 -21.100 778 2HB TRP 99 HB1 TRP 99 -16.145 -7.978 -19.608 779 HD1 TRP 99 HD1 TRP 99 -13.655 -5.563 -20.701 780 HE1 TRP 99 HE1 TRP 99 -11.909 -5.147 -18.883 781 HE3 TRP 99 HE3 TRP 99 -14.605 -9.563 -17.632 782 HZ2 TRP 99 HZ2 TRP 99 -11.027 -6.308 -16.490 783 HZ3 TRP 99 HZ3 TRP 99 -13.265 -9.836 -15.583 784 HH2 TRP 99 HH2 TRP 99 -11.500 -8.226 -15.016 785 H ILE 100 HN ILE 100 -16.766 -8.983 -22.572 786 HA ILE 100 HA ILE 100 -19.033 -10.208 -21.458 787 HB ILE 100 HB ILE 100 -18.277 -9.543 -24.297 788 1HG1 ILE 100 HG12 ILE 100 -20.330 -8.337 -22.431 789 2HG1 ILE 100 HG11 ILE 100 -18.706 -7.704 -22.661 790 1HG2 ILE 100 HG22 ILE 100 -20.768 -10.887 -23.287 791 2HG2 ILE 100 HG21 ILE 100 -20.832 -9.811 -24.679 792 3HG2 ILE 100 HG23 ILE 100 -19.813 -11.245 -24.727 793 1HD1 ILE 100 HD12 ILE 100 -19.249 -7.508 -25.130 794 2HD1 ILE 100 HD11 ILE 100 -20.927 -7.869 -24.708 795 3HD1 ILE 100 HD13 ILE 100 -20.143 -6.425 -24.064 796 H GLN 101 HN GLN 101 -16.625 -11.561 -23.725 797 HA GLN 101 HA GLN 101 -17.902 -14.067 -24.108 798 1HB GLN 101 HB2 GLN 101 -14.982 -13.312 -24.339 799 2HB GLN 101 HB1 GLN 101 -15.680 -14.820 -24.922 800 1HG GLN 101 HG2 GLN 101 -16.878 -12.223 -25.827 801 2HG GLN 101 HG1 GLN 101 -15.362 -12.757 -26.545 802 1HE2 GLN 101 HE22 GLN 101 -17.023 -14.883 -28.745 803 2HE2 GLN 101 HE21 GLN 101 -15.671 -13.863 -28.381 804 H ALA 102 HN ALA 102 -15.415 -13.033 -21.780 805 HA ALA 102 HA ALA 102 -15.037 -15.608 -20.589 806 1HB ALA 102 HB2 ALA 102 -13.375 -13.758 -20.475 807 2HB ALA 102 HB1 ALA 102 -14.470 -12.882 -19.398 808 3HB ALA 102 HB3 ALA 102 -13.776 -14.419 -18.888 809 H ILE 103 HN ILE 103 -17.203 -12.921 -19.946 810 HA ILE 103 HA ILE 103 -18.151 -13.883 -17.408 811 HB ILE 103 HB ILE 103 -19.090 -11.765 -19.337 812 1HG1 ILE 103 HG12 ILE 103 -18.153 -11.363 -16.511 813 2HG1 ILE 103 HG11 ILE 103 -16.988 -11.565 -17.809 814 1HG2 ILE 103 HG21 ILE 103 -20.364 -12.637 -16.748 815 2HG2 ILE 103 HG23 ILE 103 -20.578 -11.017 -17.422 816 3HG2 ILE 103 HG22 ILE 103 -21.123 -12.427 -18.330 817 1HD1 ILE 103 HD13 ILE 103 -18.632 -9.683 -18.902 818 2HD1 ILE 103 HD12 ILE 103 -18.737 -9.275 -17.188 819 3HD1 ILE 103 HD11 ILE 103 -17.166 -9.313 -17.991 820 H SER 104 HN SER 104 -19.480 -13.901 -20.726 821 HA SER 104 HA SER 104 -21.914 -15.207 -20.096 822 1HB SER 104 HB2 SER 104 -21.915 -15.773 -22.578 823 2HB SER 104 HB1 SER 104 -21.798 -14.069 -22.161 824 HG SER 104 HG SER 104 -19.674 -14.045 -22.719 825 H SER 105 HN SER 105 -18.712 -16.436 -20.914 826 HA SER 105 HA SER 105 -19.596 -19.209 -21.020 827 1HB SER 105 HB2 SER 105 -16.768 -18.142 -21.022 828 2HB SER 105 HB1 SER 105 -17.319 -19.728 -21.558 829 HG SER 105 HG SER 105 -17.510 -17.240 -22.828 830 H ALA 106 HN ALA 106 -19.681 -17.445 -18.462 831 HA ALA 106 HA ALA 106 -17.932 -18.920 -16.642 832 1HB ALA 106 HB1 ALA 106 -18.345 -16.449 -16.415 833 2HB ALA 106 HB3 ALA 106 -20.012 -16.824 -15.975 834 3HB ALA 106 HB2 ALA 106 -18.682 -17.380 -14.957 No H/Q in entry = 834 Start of MODEL 33 1 1H MET 1 HT2 MET 1 -6.575 -10.032 -18.788 2 2H MET 1 HT1 MET 1 -6.097 -11.322 -17.783 3 3H MET 1 HT3 MET 1 -6.657 -11.637 -19.363 4 HA MET 1 HA MET 1 -8.836 -10.848 -18.793 5 1HB MET 1 HB2 MET 1 -8.207 -13.246 -18.402 6 2HB MET 1 HB1 MET 1 -7.887 -12.844 -16.719 7 1HG MET 1 HG2 MET 1 -10.064 -12.936 -16.203 8 2HG MET 1 HG1 MET 1 -10.488 -11.861 -17.529 9 1HE MET 1 HE1 MET 1 -9.046 -15.476 -17.050 10 2HE MET 1 HE3 MET 1 -10.606 -15.532 -16.215 11 3HE MET 1 HE2 MET 1 -10.360 -16.464 -17.688 12 H GLU 2 HN GLU 2 -6.945 -11.149 -15.776 13 HA GLU 2 HA GLU 2 -8.678 -9.558 -14.176 14 1HB GLU 2 HB2 GLU 2 -5.845 -10.544 -13.896 15 2HB GLU 2 HB1 GLU 2 -6.487 -9.383 -12.745 16 1HG GLU 2 HG2 GLU 2 -6.777 -11.628 -11.879 17 2HG GLU 2 HG1 GLU 2 -8.347 -10.922 -12.234 18 H GLY 3 HN GLY 3 -8.762 -7.379 -13.845 19 1HA GLY 3 HA2 GLY 3 -6.693 -5.535 -14.123 20 2HA GLY 3 HA1 GLY 3 -7.523 -5.572 -15.645 21 H PHE 4 HN PHE 4 -7.763 -3.246 -14.875 22 HA PHE 4 HA PHE 4 -9.770 -2.708 -12.859 23 1HB PHE 4 HB2 PHE 4 -8.172 -1.030 -14.760 24 2HB PHE 4 HB1 PHE 4 -9.563 -0.336 -13.935 25 HD1 PHE 4 HD1 PHE 4 -9.656 -0.673 -11.354 26 HD2 PHE 4 HD2 PHE 4 -6.101 -1.021 -13.698 27 HE1 PHE 4 HE1 PHE 4 -8.291 -0.268 -9.344 28 HE2 PHE 4 HE2 PHE 4 -4.739 -0.624 -11.688 29 HZ PHE 4 HZ PHE 4 -5.835 -0.308 -9.494 30 H LEU 5 HN LEU 5 -11.779 -1.790 -13.175 31 HA LEU 5 HA LEU 5 -12.970 -1.663 -15.829 32 1HB LEU 5 HB2 LEU 5 -13.434 -3.898 -13.960 33 2HB LEU 5 HB1 LEU 5 -14.910 -3.101 -14.486 34 HG LEU 5 HG LEU 5 -12.782 -4.259 -16.286 35 1HD1 LEU 5 HD11 LEU 5 -15.429 -5.242 -15.319 36 2HD1 LEU 5 HD13 LEU 5 -14.852 -5.719 -16.915 37 3HD1 LEU 5 HD12 LEU 5 -13.901 -6.106 -15.479 38 1HD2 LEU 5 HD23 LEU 5 -15.225 -2.635 -16.860 39 2HD2 LEU 5 HD22 LEU 5 -13.633 -2.585 -17.622 40 3HD2 LEU 5 HD21 LEU 5 -14.744 -3.902 -17.988 41 H ASN 6 HN ASN 6 -14.812 -0.381 -15.852 42 HA ASN 6 HA ASN 6 -15.255 1.302 -13.486 43 1HB ASN 6 HB2 ASN 6 -16.522 1.495 -16.223 44 2HB ASN 6 HB1 ASN 6 -16.598 2.691 -14.951 45 1HD2 ASN 6 HD22 ASN 6 -13.139 2.317 -17.102 46 2HD2 ASN 6 HD21 ASN 6 -14.329 1.059 -17.123 47 H ARG 7 HN ARG 7 -16.973 0.977 -12.134 48 HA ARG 7 HA ARG 7 -19.061 -0.954 -13.013 49 1HB ARG 7 HB2 ARG 7 -17.474 -1.935 -11.393 50 2HB ARG 7 HB1 ARG 7 -17.851 -0.649 -10.253 51 1HG ARG 7 HG2 ARG 7 -20.106 -1.423 -9.999 52 2HG ARG 7 HG1 ARG 7 -19.949 -2.521 -11.364 53 1HD ARG 7 HD2 ARG 7 -19.287 -4.148 -9.979 54 2HD ARG 7 HD1 ARG 7 -17.870 -3.200 -9.560 55 HE ARG 7 HE ARG 7 -19.719 -3.881 -7.715 56 1HH1 ARG 7 HH11 ARG 7 -17.858 -1.103 -8.332 57 2HH1 ARG 7 HH12 ARG 7 -18.731 -0.057 -7.247 58 1HH2 ARG 7 HH21 ARG 7 -21.308 -2.335 -6.630 59 2HH2 ARG 7 HH22 ARG 7 -20.669 -0.758 -6.292 60 H LYS 8 HN LYS 8 -21.010 -0.151 -13.053 61 HA LYS 8 HA LYS 8 -21.773 2.091 -11.269 62 1HB LYS 8 HB2 LYS 8 -21.787 2.449 -13.831 63 2HB LYS 8 HB1 LYS 8 -23.189 1.394 -13.829 64 1HG LYS 8 HG2 LYS 8 -23.675 3.250 -11.783 65 2HG LYS 8 HG1 LYS 8 -22.989 4.189 -13.104 66 1HD LYS 8 HD2 LYS 8 -25.181 4.246 -13.735 67 2HD LYS 8 HD1 LYS 8 -24.709 2.761 -14.543 68 1HE LYS 8 HE2 LYS 8 -26.449 1.812 -13.466 69 2HE LYS 8 HE1 LYS 8 -25.427 1.853 -12.035 70 1HZ LYS 8 HZ2 LYS 8 -27.018 4.230 -12.714 71 2HZ LYS 8 HZ1 LYS 8 -27.803 2.883 -12.021 72 3HZ LYS 8 HZ3 LYS 8 -26.537 3.644 -11.185 73 H HIS 9 HN HIS 9 -22.928 1.285 -9.635 74 HA HIS 9 HA HIS 9 -24.422 -1.203 -9.972 75 1HB HIS 9 HB2 HIS 9 -24.742 -1.054 -7.498 76 2HB HIS 9 HB1 HIS 9 -23.072 -1.155 -8.025 77 HD1 HIS 9 HD1 HIS 9 -23.325 -0.196 -5.300 78 HD2 HIS 9 HD2 HIS 9 -23.660 2.466 -8.465 79 HE1 HIS 9 HE1 HIS 9 -22.775 2.046 -4.333 80 H GLU 10 HN GLU 10 -26.480 -1.403 -10.138 81 HA GLU 10 HA GLU 10 -28.280 0.931 -9.841 82 1HB GLU 10 HB2 GLU 10 -28.063 -0.245 -12.101 83 2HB GLU 10 HB1 GLU 10 -28.839 -1.633 -11.349 84 1HG GLU 10 HG2 GLU 10 -30.549 -0.398 -12.466 85 2HG GLU 10 HG1 GLU 10 -30.765 -0.122 -10.741 86 H TRP 11 HN TRP 11 -27.678 -2.407 -8.984 87 HA TRP 11 HA TRP 11 -29.271 -2.248 -6.582 88 1HB TRP 11 HB2 TRP 11 -31.026 -2.931 -8.121 89 2HB TRP 11 HB1 TRP 11 -29.983 -4.151 -8.830 90 HD1 TRP 11 HD1 TRP 11 -31.544 -3.467 -5.295 91 HE1 TRP 11 HE1 TRP 11 -32.111 -5.754 -4.292 92 HE3 TRP 11 HE3 TRP 11 -29.811 -6.519 -9.015 93 HZ2 TRP 11 HZ2 TRP 11 -31.884 -8.474 -4.959 94 HZ3 TRP 11 HZ3 TRP 11 -30.019 -8.962 -8.774 95 HH2 TRP 11 HH2 TRP 11 -31.044 -9.929 -6.766 96 H GLU 12 HN GLU 12 -28.361 -3.577 -5.045 97 HA GLU 12 HA GLU 12 -26.856 -5.906 -5.760 98 1HB GLU 12 HB2 GLU 12 -24.692 -5.193 -4.811 99 2HB GLU 12 HB1 GLU 12 -25.118 -4.299 -6.263 100 1HG GLU 12 HG2 GLU 12 -25.910 -2.423 -4.799 101 2HG GLU 12 HG1 GLU 12 -25.308 -3.320 -3.404 102 H ALA 13 HN ALA 13 -27.709 -7.218 -4.379 103 HA ALA 13 HA ALA 13 -27.765 -8.316 -2.328 104 1HB ALA 13 HB3 ALA 13 -26.070 -6.521 -1.524 105 2HB ALA 13 HB2 ALA 13 -27.475 -5.764 -0.771 106 3HB ALA 13 HB1 ALA 13 -27.018 -7.408 -0.331 107 H HIS 14 HN HIS 14 -29.737 -8.992 -2.371 108 HA HIS 14 HA HIS 14 -32.050 -9.034 -2.386 109 1HB HIS 14 HB2 HIS 14 -31.124 -9.618 -0.128 110 2HB HIS 14 HB1 HIS 14 -31.553 -8.004 0.410 111 HD1 HIS 14 HD1 HIS 14 -33.738 -7.968 1.573 112 HD2 HIS 14 HD2 HIS 14 -33.638 -10.927 -1.327 113 HE1 HIS 14 HE1 HIS 14 -35.972 -9.092 1.710 114 H ASN 15 HN ASN 15 -32.182 -6.418 -0.056 115 HA ASN 15 HA ASN 15 -33.781 -4.822 -1.979 116 1HB ASN 15 HB2 ASN 15 -35.063 -5.781 -0.084 117 2HB ASN 15 HB1 ASN 15 -33.998 -4.945 1.038 118 1HD2 ASN 15 HD22 ASN 15 -36.034 -2.128 1.017 119 2HD2 ASN 15 HD21 ASN 15 -34.981 -3.224 1.868 120 H LYS 16 HN LYS 16 -32.028 -3.634 -2.747 121 HA LYS 16 HA LYS 16 -31.315 -1.320 -1.228 122 1HB LYS 16 HB2 LYS 16 -29.720 -3.287 -0.460 123 2HB LYS 16 HB1 LYS 16 -28.896 -2.942 -1.975 124 1HG LYS 16 HG2 LYS 16 -28.536 -0.640 -1.304 125 2HG LYS 16 HG1 LYS 16 -29.517 -0.865 0.140 126 1HD LYS 16 HD2 LYS 16 -27.567 -1.293 1.188 127 2HD LYS 16 HD1 LYS 16 -27.645 -2.866 0.400 128 1HE LYS 16 HE2 LYS 16 -26.353 -1.928 -1.514 129 2HE LYS 16 HE1 LYS 16 -26.212 -0.407 -0.641 130 1HZ LYS 16 HZ1 LYS 16 -25.220 -1.888 1.199 131 2HZ LYS 16 HZ3 LYS 16 -24.962 -3.004 -0.064 132 3HZ LYS 16 HZ2 LYS 16 -24.261 -1.448 -0.143 133 H LYS 17 HN LYS 17 -32.066 -0.175 -2.946 134 HA LYS 17 HA LYS 17 -31.078 -0.671 -5.656 135 1HB LYS 17 HB2 LYS 17 -33.071 1.310 -4.532 136 2HB LYS 17 HB1 LYS 17 -32.646 1.200 -6.238 137 1HG LYS 17 HG2 LYS 17 -33.259 -1.429 -5.419 138 2HG LYS 17 HG1 LYS 17 -34.498 -0.403 -4.708 139 1HD LYS 17 HD2 LYS 17 -35.350 -1.003 -6.831 140 2HD LYS 17 HD1 LYS 17 -34.754 0.641 -7.041 141 1HE LYS 17 HE2 LYS 17 -32.685 -0.220 -8.037 142 2HE LYS 17 HE1 LYS 17 -33.237 -1.873 -7.791 143 1HZ LYS 17 HZ3 LYS 17 -35.221 -0.470 -9.195 144 2HZ LYS 17 HZ2 LYS 17 -33.720 -0.214 -9.967 145 3HZ LYS 17 HZ1 LYS 17 -34.290 -1.801 -9.700 146 H ALA 18 HN ALA 18 -30.497 1.333 -6.928 147 HA ALA 18 HA ALA 18 -29.143 3.481 -5.542 148 1HB ALA 18 HB3 ALA 18 -27.594 1.294 -6.949 149 2HB ALA 18 HB2 ALA 18 -26.936 2.915 -6.731 150 3HB ALA 18 HB1 ALA 18 -27.345 1.932 -5.323 151 H SER 19 HN SER 19 -30.775 4.550 -6.808 152 HA SER 19 HA SER 19 -30.645 4.466 -9.709 153 1HB SER 19 HB2 SER 19 -32.210 6.428 -8.024 154 2HB SER 19 HB1 SER 19 -32.551 5.870 -9.661 155 HG SER 19 HG SER 19 -32.847 4.479 -7.201 156 H SER 20 HN SER 20 -28.208 5.093 -8.954 157 HA SER 20 HA SER 20 -27.952 7.957 -9.568 158 1HB SER 20 HB2 SER 20 -26.220 6.453 -7.599 159 2HB SER 20 HB1 SER 20 -26.122 8.170 -7.991 160 HG SER 20 HG SER 20 -28.624 7.301 -7.182 161 H ARG 21 HN ARG 21 -26.219 8.490 -10.907 162 HA ARG 21 HA ARG 21 -25.121 6.321 -12.524 163 1HB ARG 21 HB2 ARG 21 -24.119 8.228 -13.834 164 2HB ARG 21 HB1 ARG 21 -25.875 8.230 -13.734 165 1HG ARG 21 HG2 ARG 21 -25.949 10.132 -12.489 166 2HG ARG 21 HG1 ARG 21 -24.468 9.757 -11.615 167 1HD ARG 21 HD2 ARG 21 -23.702 11.512 -12.887 168 2HD ARG 21 HD1 ARG 21 -23.374 10.192 -14.011 169 HE ARG 21 HE ARG 21 -25.984 11.565 -14.229 170 1HH1 ARG 21 HH21 ARG 21 -22.852 12.467 -15.046 171 2HH1 ARG 21 HH22 ARG 21 -23.105 12.561 -16.771 172 1HH2 ARG 21 HH11 ARG 21 -26.306 11.069 -16.642 173 2HH2 ARG 21 HH12 ARG 21 -25.087 11.758 -17.688 174 H SER 22 HN SER 22 -24.209 5.957 -10.055 175 HA SER 22 HA SER 22 -21.675 7.214 -9.518 176 1HB SER 22 HB2 SER 22 -22.797 4.699 -8.276 177 2HB SER 22 HB1 SER 22 -21.589 5.790 -7.597 178 HG SER 22 HG SER 22 -23.169 7.381 -7.379 179 H TRP 23 HN TRP 23 -20.343 6.831 -11.256 180 HA TRP 23 HA TRP 23 -19.745 4.080 -12.100 181 1HB TRP 23 HB2 TRP 23 -19.194 6.834 -13.168 182 2HB TRP 23 HB1 TRP 23 -18.100 5.531 -13.615 183 HD1 TRP 23 HD1 TRP 23 -21.421 7.014 -14.573 184 HE1 TRP 23 HE1 TRP 23 -22.516 5.527 -16.343 185 HE3 TRP 23 HE3 TRP 23 -18.389 2.906 -14.285 186 HZ2 TRP 23 HZ2 TRP 23 -22.172 2.973 -17.490 187 HZ3 TRP 23 HZ3 TRP 23 -18.799 0.990 -15.745 188 HH2 TRP 23 HH2 TRP 23 -20.681 1.009 -17.340 189 H HIS 24 HN HIS 24 -18.554 3.158 -10.469 190 HA HIS 24 HA HIS 24 -16.249 4.611 -9.354 191 1HB HIS 24 HB2 HIS 24 -18.040 3.439 -7.923 192 2HB HIS 24 HB1 HIS 24 -17.312 1.926 -8.460 193 HD1 HIS 24 HD1 HIS 24 -16.881 4.669 -6.062 194 HD2 HIS 24 HD2 HIS 24 -14.614 1.555 -7.560 195 HE1 HIS 24 HE1 HIS 24 -14.943 4.465 -4.486 196 H ASN 25 HN ASN 25 -14.207 4.041 -9.763 197 HA ASN 25 HA ASN 25 -13.644 1.985 -11.769 198 1HB ASN 25 HB2 ASN 25 -12.549 4.276 -11.772 199 2HB ASN 25 HB1 ASN 25 -11.678 3.789 -10.320 200 1HD2 ASN 25 HD22 ASN 25 -9.283 1.922 -12.057 201 2HD2 ASN 25 HD21 ASN 25 -9.851 2.568 -10.550 202 H VAL 26 HN VAL 26 -13.563 -0.037 -11.020 203 HA VAL 26 HA VAL 26 -12.073 -0.607 -8.524 204 HB VAL 26 HB VAL 26 -14.591 -0.670 -8.318 205 1HG1 VAL 26 HG12 VAL 26 -14.953 -1.726 -10.581 206 2HG1 VAL 26 HG11 VAL 26 -14.414 -3.248 -9.866 207 3HG1 VAL 26 HG13 VAL 26 -15.856 -2.443 -9.248 208 1HG2 VAL 26 HG22 VAL 26 -13.009 -1.857 -6.792 209 2HG2 VAL 26 HG21 VAL 26 -14.618 -2.574 -6.898 210 3HG2 VAL 26 HG23 VAL 26 -13.267 -3.315 -7.757 211 H TYR 27 HN TYR 27 -11.172 -2.755 -8.410 212 HA TYR 27 HA TYR 27 -10.269 -3.724 -11.031 213 1HB TYR 27 HB2 TYR 27 -8.734 -3.208 -9.034 214 2HB TYR 27 HB1 TYR 27 -9.330 -4.707 -8.344 215 HD1 TYR 27 HD1 TYR 27 -7.575 -3.269 -11.281 216 HD2 TYR 27 HD2 TYR 27 -8.492 -6.782 -9.040 217 HE1 TYR 27 HE1 TYR 27 -5.933 -4.545 -12.601 218 HE2 TYR 27 HE2 TYR 27 -6.840 -8.050 -10.348 219 HH TYR 27 HH TYR 27 -5.261 -7.962 -11.912 220 H CYS 28 HN CYS 28 -11.119 -5.486 -11.931 221 HA CYS 28 HA CYS 28 -12.818 -7.257 -10.269 222 1HB CYS 28 HB2 CYS 28 -12.944 -6.679 -13.234 223 2HB CYS 28 HB1 CYS 28 -14.007 -7.774 -12.356 224 HG CYS 28 HG CYS 28 -13.994 -4.832 -11.420 225 H VAL 29 HN VAL 29 -12.403 -9.349 -10.165 226 HA VAL 29 HA VAL 29 -10.362 -10.560 -11.943 227 HB VAL 29 HB VAL 29 -10.751 -10.946 -8.962 228 1HG1 VAL 29 HG11 VAL 29 -9.203 -12.516 -10.978 229 2HG1 VAL 29 HG13 VAL 29 -8.561 -12.337 -9.344 230 3HG1 VAL 29 HG12 VAL 29 -10.143 -13.077 -9.593 231 1HG2 VAL 29 HG21 VAL 29 -8.711 -9.514 -10.608 232 2HG2 VAL 29 HG23 VAL 29 -9.475 -9.036 -9.097 233 3HG2 VAL 29 HG22 VAL 29 -8.218 -10.271 -9.094 234 H ILE 30 HN ILE 30 -10.918 -12.561 -12.744 235 HA ILE 30 HA ILE 30 -13.643 -13.524 -12.115 236 HB ILE 30 HB ILE 30 -11.904 -14.251 -14.478 237 1HG1 ILE 30 HG12 ILE 30 -13.988 -12.074 -14.171 238 2HG1 ILE 30 HG11 ILE 30 -12.292 -11.887 -14.613 239 1HG2 ILE 30 HG21 ILE 30 -14.724 -14.845 -13.659 240 2HG2 ILE 30 HG23 ILE 30 -14.347 -14.702 -15.375 241 3HG2 ILE 30 HG22 ILE 30 -13.519 -15.907 -14.390 242 1HD1 ILE 30 HD11 ILE 30 -13.129 -13.578 -16.562 243 2HD1 ILE 30 HD13 ILE 30 -14.602 -12.655 -16.271 244 3HD1 ILE 30 HD12 ILE 30 -13.112 -11.823 -16.719 245 H ASN 31 HN ASN 31 -14.066 -15.650 -11.637 246 HA ASN 31 HA ASN 31 -11.853 -17.546 -11.242 247 1HB ASN 31 HB2 ASN 31 -12.295 -16.157 -9.104 248 2HB ASN 31 HB1 ASN 31 -13.839 -17.002 -9.017 249 1HD2 ASN 31 HD22 ASN 31 -11.903 -19.151 -6.921 250 2HD2 ASN 31 HD21 ASN 31 -12.936 -17.746 -6.937 251 H ASN 32 HN ASN 32 -13.072 -19.642 -10.209 252 HA ASN 32 HA ASN 32 -14.678 -20.735 -12.240 253 1HB ASN 32 HB2 ASN 32 -13.282 -22.027 -10.626 254 2HB ASN 32 HB1 ASN 32 -14.447 -21.657 -9.360 255 1HD2 ASN 32 HD22 ASN 32 -15.552 -24.923 -10.362 256 2HD2 ASN 32 HD21 ASN 32 -14.372 -24.107 -9.372 257 H GLN 33 HN GLN 33 -16.545 -19.665 -12.725 258 HA GLN 33 HA GLN 33 -18.700 -18.926 -12.614 259 1HB GLN 33 HB2 GLN 33 -18.852 -20.965 -10.380 260 2HB GLN 33 HB1 GLN 33 -20.244 -20.206 -11.153 261 1HG GLN 33 HG2 GLN 33 -19.838 -21.270 -13.213 262 2HG GLN 33 HG1 GLN 33 -18.177 -21.671 -12.786 263 1HE2 GLN 33 HE22 GLN 33 -18.982 -24.643 -11.117 264 2HE2 GLN 33 HE21 GLN 33 -17.767 -23.471 -11.531 265 H GLU 34 HN GLU 34 -16.638 -17.547 -10.980 266 HA GLU 34 HA GLU 34 -18.440 -15.894 -9.376 267 1HB GLU 34 HB2 GLU 34 -15.979 -17.214 -8.197 268 2HB GLU 34 HB1 GLU 34 -16.887 -15.921 -7.428 269 1HG GLU 34 HG2 GLU 34 -18.913 -17.441 -7.510 270 2HG GLU 34 HG1 GLU 34 -17.829 -18.733 -8.017 271 H MET 35 HN MET 35 -17.286 -13.953 -8.564 272 HA MET 35 HA MET 35 -14.844 -13.195 -9.958 273 1HB MET 35 HB2 MET 35 -15.759 -11.162 -10.909 274 2HB MET 35 HB1 MET 35 -16.649 -12.542 -11.530 275 1HG MET 35 HG2 MET 35 -18.453 -12.117 -9.928 276 2HG MET 35 HG1 MET 35 -17.577 -10.731 -9.295 277 1HE MET 35 HE3 MET 35 -16.803 -8.821 -10.647 278 2HE MET 35 HE2 MET 35 -16.588 -9.227 -12.349 279 3HE MET 35 HE1 MET 35 -17.805 -8.045 -11.879 280 H GLY 36 HN GLY 36 -13.693 -11.662 -8.837 281 1HA GLY 36 HA2 GLY 36 -14.786 -10.857 -6.198 282 2HA GLY 36 HA1 GLY 36 -13.099 -11.247 -6.497 283 H PHE 37 HN PHE 37 -14.786 -8.767 -5.657 284 HA PHE 37 HA PHE 37 -13.741 -6.783 -7.581 285 1HB PHE 37 HB2 PHE 37 -15.744 -6.575 -5.323 286 2HB PHE 37 HB1 PHE 37 -15.167 -5.194 -6.247 287 HD1 PHE 37 HD1 PHE 37 -15.486 -5.249 -8.794 288 HD2 PHE 37 HD2 PHE 37 -17.557 -7.837 -6.095 289 HE1 PHE 37 HE1 PHE 37 -17.201 -5.665 -10.509 290 HE2 PHE 37 HE2 PHE 37 -19.271 -8.244 -7.815 291 HZ PHE 37 HZ PHE 37 -19.100 -7.165 -10.012 292 H TYR 38 HN TYR 38 -11.719 -6.169 -7.136 293 HA TYR 38 HA TYR 38 -10.916 -5.716 -4.310 294 1HB TYR 38 HB2 TYR 38 -9.205 -6.535 -6.666 295 2HB TYR 38 HB1 TYR 38 -8.617 -6.222 -5.038 296 HD1 TYR 38 HD1 TYR 38 -9.107 -7.772 -3.207 297 HD2 TYR 38 HD2 TYR 38 -10.389 -8.577 -7.196 298 HE1 TYR 38 HE1 TYR 38 -9.538 -10.120 -2.597 299 HE2 TYR 38 HE2 TYR 38 -10.813 -10.925 -6.585 300 HH TYR 38 HH TYR 38 -9.583 -12.455 -4.194 301 H LYS 39 HN LYS 39 -8.917 -4.193 -4.273 302 HA LYS 39 HA LYS 39 -9.771 -1.659 -5.400 303 1HB LYS 39 HB2 LYS 39 -8.709 -2.149 -3.073 304 2HB LYS 39 HB1 LYS 39 -7.183 -2.062 -3.940 305 1HG LYS 39 HG2 LYS 39 -7.985 0.197 -4.828 306 2HG LYS 39 HG1 LYS 39 -9.261 0.097 -3.619 307 1HD LYS 39 HD2 LYS 39 -6.684 -0.504 -2.432 308 2HD LYS 39 HD1 LYS 39 -6.630 1.048 -3.261 309 1HE LYS 39 HE2 LYS 39 -8.919 0.415 -1.422 310 2HE LYS 39 HE1 LYS 39 -7.376 0.937 -0.758 311 1HZ LYS 39 HZ2 LYS 39 -7.904 2.705 -2.788 312 2HZ LYS 39 HZ1 LYS 39 -9.407 2.478 -2.016 313 3HZ LYS 39 HZ3 LYS 39 -8.057 2.990 -1.113 314 H ASP 40 HN ASP 40 -7.150 -3.965 -5.993 315 HA ASP 40 HA ASP 40 -6.725 -3.077 -8.657 316 1HB ASP 40 HB2 ASP 40 -4.597 -2.065 -8.588 317 2HB ASP 40 HB1 ASP 40 -5.520 -1.242 -7.339 318 H ALA 41 HN ALA 41 -4.264 -4.028 -9.238 319 HA ALA 41 HA ALA 41 -4.566 -6.843 -9.177 320 1HB ALA 41 HB2 ALA 41 -3.327 -5.650 -10.935 321 2HB ALA 41 HB1 ALA 41 -2.086 -5.203 -9.759 322 3HB ALA 41 HB3 ALA 41 -2.329 -6.900 -10.185 323 H LYS 42 HN LYS 42 -2.591 -4.642 -7.204 324 HA LYS 42 HA LYS 42 -1.121 -6.630 -5.790 325 1HB LYS 42 HB2 LYS 42 -1.863 -3.813 -4.958 326 2HB LYS 42 HB1 LYS 42 -0.637 -4.815 -4.193 327 1HG LYS 42 HG2 LYS 42 0.486 -4.958 -6.472 328 2HG LYS 42 HG1 LYS 42 -0.605 -3.674 -6.986 329 1HD LYS 42 HD2 LYS 42 1.366 -3.523 -4.690 330 2HD LYS 42 HD1 LYS 42 1.569 -2.765 -6.266 331 1HE LYS 42 HE2 LYS 42 -0.593 -2.125 -4.243 332 2HE LYS 42 HE1 LYS 42 0.801 -1.121 -4.624 333 1HZ LYS 42 HZ3 LYS 42 -0.158 -1.266 -7.023 334 2HZ LYS 42 HZ2 LYS 42 -1.614 -1.648 -6.230 335 3HZ LYS 42 HZ1 LYS 42 -0.823 -0.171 -5.902 336 H SER 43 HN SER 43 -4.133 -4.886 -5.041 337 HA SER 43 HA SER 43 -4.603 -6.086 -2.505 338 1HB SER 43 HB2 SER 43 -6.687 -4.982 -4.384 339 2HB SER 43 HB1 SER 43 -6.792 -5.150 -2.634 340 HG SER 43 HG SER 43 -5.106 -3.401 -4.122 341 H ALA 44 HN ALA 44 -5.463 -7.020 -5.791 342 HA ALA 44 HA ALA 44 -7.241 -9.133 -5.122 343 1HB ALA 44 HB1 ALA 44 -5.671 -8.554 -7.640 344 2HB ALA 44 HB3 ALA 44 -6.874 -9.836 -7.493 345 3HB ALA 44 HB2 ALA 44 -7.359 -8.148 -7.318 346 H ALA 45 HN ALA 45 -3.784 -8.962 -5.866 347 HA ALA 45 HA ALA 45 -3.239 -11.749 -5.800 348 1HB ALA 45 HB2 ALA 45 -1.449 -9.352 -5.330 349 2HB ALA 45 HB1 ALA 45 -0.862 -11.013 -5.456 350 3HB ALA 45 HB3 ALA 45 -1.658 -10.253 -6.836 351 H SER 46 HN SER 46 -2.961 -9.203 -3.328 352 HA SER 46 HA SER 46 -2.058 -10.914 -1.218 353 1HB SER 46 HB2 SER 46 -3.303 -8.157 -1.223 354 2HB SER 46 HB1 SER 46 -2.753 -8.961 0.242 355 HG SER 46 HG SER 46 -0.810 -8.332 -0.235 356 H GLY 47 HN GLY 47 -5.193 -10.144 -2.505 357 1HA GLY 47 HA2 GLY 47 -7.242 -11.140 -2.164 358 2HA GLY 47 HA1 GLY 47 -6.508 -12.173 -0.939 359 H ILE 48 HN ILE 48 -6.828 -8.634 -1.232 360 HA ILE 48 HA ILE 48 -7.716 -8.442 1.552 361 HB ILE 48 HB ILE 48 -7.007 -6.339 -0.506 362 1HG1 ILE 48 HG12 ILE 48 -5.510 -7.107 2.004 363 2HG1 ILE 48 HG11 ILE 48 -5.150 -7.804 0.427 364 1HG2 ILE 48 HG22 ILE 48 -8.018 -6.108 2.303 365 2HG2 ILE 48 HG21 ILE 48 -6.902 -4.901 1.672 366 3HG2 ILE 48 HG23 ILE 48 -8.452 -5.171 0.875 367 1HD1 ILE 48 HD12 ILE 48 -4.941 -5.341 -0.363 368 2HD1 ILE 48 HD11 ILE 48 -4.800 -4.967 1.352 369 3HD1 ILE 48 HD13 ILE 48 -3.624 -6.034 0.584 370 HA PRO 49 HA PRO 49 -11.971 -8.314 0.072 371 1HB PRO 49 HB2 PRO 49 -13.170 -7.909 2.483 372 2HB PRO 49 HB1 PRO 49 -12.586 -9.483 1.928 373 1HG PRO 49 HG2 PRO 49 -11.337 -7.564 3.836 374 2HG PRO 49 HG1 PRO 49 -11.374 -9.333 3.883 375 1HD PRO 49 HD2 PRO 49 -9.207 -7.870 3.055 376 2HD PRO 49 HD1 PRO 49 -9.546 -9.527 2.519 377 H TYR 50 HN TYR 50 -12.159 -6.460 -1.109 378 HA TYR 50 HA TYR 50 -11.798 -3.815 -0.164 379 1HB TYR 50 HB2 TYR 50 -11.667 -4.582 -2.551 380 2HB TYR 50 HB1 TYR 50 -13.421 -4.700 -2.557 381 HD1 TYR 50 HD1 TYR 50 -10.953 -2.156 -1.343 382 HD2 TYR 50 HD2 TYR 50 -14.406 -2.968 -3.727 383 HE1 TYR 50 HE1 TYR 50 -11.095 0.225 -1.952 384 HE2 TYR 50 HE2 TYR 50 -14.533 -0.590 -4.336 385 HH TYR 50 HH TYR 50 -12.064 1.546 -3.968 386 H HIS 51 HN HIS 51 -14.677 -5.841 -0.497 387 HA HIS 51 HA HIS 51 -16.190 -3.983 1.221 388 1HB HIS 51 HB2 HIS 51 -16.856 -4.793 -1.566 389 2HB HIS 51 HB1 HIS 51 -18.183 -4.839 -0.417 390 HD1 HIS 51 HD1 HIS 51 -19.082 -2.633 0.435 391 HD2 HIS 51 HD2 HIS 51 -15.850 -2.157 -2.098 392 HE1 HIS 51 HE1 HIS 51 -19.029 -0.187 -0.095 393 H SER 52 HN SER 52 -18.428 -5.198 1.711 394 HA SER 52 HA SER 52 -17.781 -7.475 3.275 395 1HB SER 52 HB2 SER 52 -20.552 -6.625 2.404 396 2HB SER 52 HB1 SER 52 -20.105 -7.529 3.849 397 HG SER 52 HG SER 52 -18.898 -5.621 4.515 398 H GLU 53 HN GLU 53 -20.048 -7.317 0.491 399 HA GLU 53 HA GLU 53 -19.705 -10.200 0.049 400 1HB GLU 53 HB2 GLU 53 -21.511 -8.152 -1.263 401 2HB GLU 53 HB1 GLU 53 -21.472 -9.864 -1.679 402 1HG GLU 53 HG2 GLU 53 -22.191 -10.481 0.553 403 2HG GLU 53 HG1 GLU 53 -22.081 -8.809 1.092 404 H VAL 54 HN VAL 54 -17.344 -9.438 -0.384 405 HA VAL 54 HA VAL 54 -16.726 -8.180 -2.853 406 HB VAL 54 HB VAL 54 -15.102 -8.076 -1.144 407 1HG1 VAL 54 HG22 VAL 54 -15.679 -10.135 0.092 408 2HG1 VAL 54 HG21 VAL 54 -14.868 -11.086 -1.159 409 3HG1 VAL 54 HG23 VAL 54 -13.947 -9.956 -0.171 410 1HG2 VAL 54 HG12 VAL 54 -14.382 -8.432 -3.581 411 2HG2 VAL 54 HG11 VAL 54 -13.158 -8.568 -2.321 412 3HG2 VAL 54 HG13 VAL 54 -13.848 -10.020 -3.044 413 HA PRO 55 HA PRO 55 -16.393 -12.506 -4.766 414 1HB PRO 55 HB2 PRO 55 -17.311 -14.684 -3.426 415 2HB PRO 55 HB1 PRO 55 -15.682 -14.033 -3.213 416 1HG PRO 55 HG2 PRO 55 -17.921 -14.025 -1.354 417 2HG PRO 55 HG1 PRO 55 -16.220 -13.646 -1.050 418 1HD PRO 55 HD2 PRO 55 -18.466 -11.832 -1.509 419 2HD PRO 55 HD1 PRO 55 -16.847 -11.479 -0.892 420 H VAL 56 HN VAL 56 -17.934 -12.055 -6.302 421 HA VAL 56 HA VAL 56 -20.785 -12.579 -5.694 422 HB VAL 56 HB VAL 56 -19.452 -10.936 -7.853 423 1HG1 VAL 56 HG13 VAL 56 -22.330 -11.737 -7.486 424 2HG1 VAL 56 HG12 VAL 56 -21.884 -10.253 -8.333 425 3HG1 VAL 56 HG11 VAL 56 -21.341 -11.816 -8.947 426 1HG2 VAL 56 HG23 VAL 56 -20.960 -10.306 -5.342 427 2HG2 VAL 56 HG22 VAL 56 -19.434 -9.635 -5.928 428 3HG2 VAL 56 HG21 VAL 56 -20.956 -9.162 -6.685 429 H SER 57 HN SER 57 -21.825 -14.203 -6.696 430 HA SER 57 HA SER 57 -20.343 -16.114 -8.244 431 1HB SER 57 HB2 SER 57 -23.265 -16.334 -7.764 432 2HB SER 57 HB1 SER 57 -22.026 -17.566 -7.721 433 HG SER 57 HG SER 57 -22.742 -17.117 -5.611 434 H LEU 58 HN LEU 58 -20.346 -16.335 -10.397 435 HA LEU 58 HA LEU 58 -21.999 -14.580 -12.070 436 1HB LEU 58 HB2 LEU 58 -19.714 -16.463 -12.713 437 2HB LEU 58 HB1 LEU 58 -20.597 -15.547 -13.932 438 HG LEU 58 HG LEU 58 -19.069 -14.365 -11.616 439 1HD1 LEU 58 HD21 LEU 58 -18.421 -14.574 -14.566 440 2HD1 LEU 58 HD23 LEU 58 -17.556 -13.531 -13.438 441 3HD1 LEU 58 HD22 LEU 58 -17.525 -15.280 -13.215 442 1HD2 LEU 58 HD11 LEU 58 -20.911 -13.226 -13.640 443 2HD2 LEU 58 HD13 LEU 58 -20.559 -12.695 -11.994 444 3HD2 LEU 58 HD12 LEU 58 -19.443 -12.312 -13.302 445 H LYS 59 HN LYS 59 -23.552 -16.349 -10.761 446 HA LYS 59 HA LYS 59 -24.080 -18.736 -12.315 447 1HB LYS 59 HB2 LYS 59 -24.420 -18.467 -9.800 448 2HB LYS 59 HB1 LYS 59 -25.852 -17.523 -10.188 449 1HG LYS 59 HG2 LYS 59 -26.918 -19.372 -11.224 450 2HG LYS 59 HG1 LYS 59 -25.423 -20.307 -11.266 451 1HD LYS 59 HD2 LYS 59 -25.437 -20.614 -8.898 452 2HD LYS 59 HD1 LYS 59 -26.730 -19.434 -8.686 453 1HE LYS 59 HE2 LYS 59 -27.332 -21.729 -10.470 454 2HE LYS 59 HE1 LYS 59 -27.157 -22.098 -8.758 455 1HZ LYS 59 HZ3 LYS 59 -28.721 -20.013 -8.544 456 2HZ LYS 59 HZ2 LYS 59 -29.181 -20.482 -10.120 457 3HZ LYS 59 HZ1 LYS 59 -29.338 -21.569 -8.812 458 H GLU 60 HN GLU 60 -24.900 -18.474 -14.288 459 HA GLU 60 HA GLU 60 -26.179 -17.799 -16.056 460 1HB GLU 60 HB2 GLU 60 -28.258 -17.290 -13.915 461 2HB GLU 60 HB1 GLU 60 -28.565 -17.489 -15.637 462 1HG GLU 60 HG2 GLU 60 -27.312 -19.791 -15.284 463 2HG GLU 60 HG1 GLU 60 -27.760 -19.541 -13.596 464 H ALA 61 HN ALA 61 -24.436 -15.932 -15.587 465 HA ALA 61 HA ALA 61 -25.617 -13.336 -15.057 466 1HB ALA 61 HB2 ALA 61 -23.296 -13.856 -14.373 467 2HB ALA 61 HB1 ALA 61 -22.845 -14.044 -16.072 468 3HB ALA 61 HB3 ALA 61 -23.369 -12.472 -15.468 469 H ILE 62 HN ILE 62 -26.810 -12.348 -16.537 470 HA ILE 62 HA ILE 62 -26.491 -12.880 -19.402 471 HB ILE 62 HB ILE 62 -28.385 -10.948 -18.053 472 1HG1 ILE 62 HG12 ILE 62 -28.798 -13.085 -17.028 473 2HG1 ILE 62 HG11 ILE 62 -30.073 -12.778 -18.200 474 1HG2 ILE 62 HG21 ILE 62 -27.838 -11.467 -20.756 475 2HG2 ILE 62 HG23 ILE 62 -29.370 -12.276 -20.421 476 3HG2 ILE 62 HG22 ILE 62 -29.195 -10.550 -20.094 477 1HD1 ILE 62 HD12 ILE 62 -28.510 -14.142 -19.822 478 2HD1 ILE 62 HD11 ILE 62 -27.842 -14.771 -18.311 479 3HD1 ILE 62 HD13 ILE 62 -29.556 -14.979 -18.674 480 H CYS 63 HN CYS 63 -25.483 -11.509 -20.791 481 HA CYS 63 HA CYS 63 -24.606 -8.870 -19.777 482 1HB CYS 63 HB2 CYS 63 -22.913 -10.933 -19.947 483 2HB CYS 63 HB1 CYS 63 -22.808 -10.372 -21.605 484 HG CYS 63 HG CYS 63 -22.422 -8.041 -19.774 485 H GLU 64 HN GLU 64 -24.871 -7.207 -21.093 486 HA GLU 64 HA GLU 64 -25.543 -7.640 -23.956 487 1HB GLU 64 HB2 GLU 64 -26.854 -5.675 -22.054 488 2HB GLU 64 HB1 GLU 64 -27.191 -5.819 -23.777 489 1HG GLU 64 HG2 GLU 64 -28.306 -7.852 -23.535 490 2HG GLU 64 HG1 GLU 64 -27.526 -8.216 -21.997 491 H VAL 65 HN VAL 65 -25.025 -5.830 -25.327 492 HA VAL 65 HA VAL 65 -22.712 -4.276 -24.348 493 HB VAL 65 HB VAL 65 -23.703 -4.502 -27.191 494 1HG1 VAL 65 HG11 VAL 65 -21.246 -3.466 -25.863 495 2HG1 VAL 65 HG13 VAL 65 -21.087 -4.213 -27.453 496 3HG1 VAL 65 HG12 VAL 65 -22.144 -2.816 -27.235 497 1HG2 VAL 65 HG21 VAL 65 -22.011 -6.398 -25.593 498 2HG2 VAL 65 HG23 VAL 65 -23.325 -6.750 -26.716 499 3HG2 VAL 65 HG22 VAL 65 -21.761 -6.218 -27.329 500 H ALA 66 HN ALA 66 -22.708 -2.108 -24.194 501 HA ALA 66 HA ALA 66 -25.051 -0.537 -25.123 502 1HB ALA 66 HB1 ALA 66 -25.143 -0.948 -22.655 503 2HB ALA 66 HB3 ALA 66 -23.579 -0.150 -22.500 504 3HB ALA 66 HB2 ALA 66 -24.978 0.757 -23.076 505 H LEU 67 HN LEU 67 -23.788 -0.014 -26.963 506 HA LEU 67 HA LEU 67 -21.174 1.135 -26.779 507 1HB LEU 67 HB2 LEU 67 -22.503 -0.019 -28.781 508 2HB LEU 67 HB1 LEU 67 -22.893 1.655 -29.166 509 HG LEU 67 HG LEU 67 -20.473 2.194 -29.127 510 1HD1 LEU 67 HD13 LEU 67 -20.308 -0.623 -28.255 511 2HD1 LEU 67 HD12 LEU 67 -19.109 -0.121 -29.447 512 3HD1 LEU 67 HD11 LEU 67 -19.241 0.738 -27.911 513 1HD2 LEU 67 HD22 LEU 67 -21.812 1.417 -31.187 514 2HD2 LEU 67 HD21 LEU 67 -20.051 1.423 -31.295 515 3HD2 LEU 67 HD23 LEU 67 -20.914 -0.094 -31.025 516 H ASP 68 HN ASP 68 -24.322 2.500 -26.351 517 HA ASP 68 HA ASP 68 -23.127 5.181 -26.121 518 1HB ASP 68 HB2 ASP 68 -24.152 4.920 -28.425 519 2HB ASP 68 HB1 ASP 68 -25.715 4.735 -27.638 520 H TYR 69 HN TYR 69 -23.348 4.499 -23.867 521 HA TYR 69 HA TYR 69 -26.085 4.824 -22.785 522 1HB TYR 69 HB2 TYR 69 -25.055 2.686 -22.176 523 2HB TYR 69 HB1 TYR 69 -23.635 3.518 -21.559 524 HD1 TYR 69 HD1 TYR 69 -27.343 3.372 -21.079 525 HD2 TYR 69 HD2 TYR 69 -23.518 4.047 -19.306 526 HE1 TYR 69 HE1 TYR 69 -28.407 3.594 -18.867 527 HE2 TYR 69 HE2 TYR 69 -24.584 4.260 -17.094 528 HH TYR 69 HH TYR 69 -27.877 3.438 -16.525 529 H LYS 70 HN LYS 70 -25.832 7.121 -23.124 530 HA LYS 70 HA LYS 70 -25.596 9.231 -22.269 531 1HB LYS 70 HB2 LYS 70 -23.923 8.168 -19.991 532 2HB LYS 70 HB1 LYS 70 -24.894 9.634 -20.056 533 1HG LYS 70 HG2 LYS 70 -26.818 7.789 -20.545 534 2HG LYS 70 HG1 LYS 70 -25.729 6.833 -19.544 535 1HD LYS 70 HD2 LYS 70 -25.814 8.645 -17.828 536 2HD LYS 70 HD1 LYS 70 -27.015 9.473 -18.818 537 1HE LYS 70 HE2 LYS 70 -27.293 6.715 -17.587 538 2HE LYS 70 HE1 LYS 70 -28.123 8.175 -17.066 539 1HZ LYS 70 HZ3 LYS 70 -28.437 6.861 -19.714 540 2HZ LYS 70 HZ2 LYS 70 -29.530 6.764 -18.411 541 3HZ LYS 70 HZ1 LYS 70 -29.260 8.260 -19.193 542 H LYS 71 HN LYS 71 -22.682 7.263 -21.974 543 HA LYS 71 HA LYS 71 -21.067 9.413 -23.228 544 1HB LYS 71 HB2 LYS 71 -20.095 7.056 -21.591 545 2HB LYS 71 HB1 LYS 71 -19.129 8.398 -22.197 546 1HG LYS 71 HG2 LYS 71 -20.809 9.854 -20.803 547 2HG LYS 71 HG1 LYS 71 -21.101 8.344 -19.942 548 1HD LYS 71 HD2 LYS 71 -18.625 8.161 -19.571 549 2HD LYS 71 HD1 LYS 71 -18.447 9.763 -20.279 550 1HE LYS 71 HE2 LYS 71 -19.036 10.772 -18.361 551 2HE LYS 71 HE1 LYS 71 -20.486 9.788 -18.218 552 1HZ LYS 71 HZ1 LYS 71 -18.928 7.982 -17.385 553 2HZ LYS 71 HZ3 LYS 71 -17.785 9.227 -17.180 554 3HZ LYS 71 HZ2 LYS 71 -19.265 9.285 -16.338 555 H LYS 72 HN LYS 72 -20.188 8.981 -25.189 556 HA LYS 72 HA LYS 72 -20.893 6.484 -26.518 557 1HB LYS 72 HB2 LYS 72 -19.744 7.629 -28.503 558 2HB LYS 72 HB1 LYS 72 -21.228 8.347 -27.896 559 1HG LYS 72 HG2 LYS 72 -20.014 10.070 -26.729 560 2HG LYS 72 HG1 LYS 72 -18.471 9.306 -27.110 561 1HD LYS 72 HD2 LYS 72 -18.743 9.765 -29.459 562 2HD LYS 72 HD1 LYS 72 -20.396 10.317 -29.208 563 1HE LYS 72 HE2 LYS 72 -19.256 12.333 -29.359 564 2HE LYS 72 HE1 LYS 72 -19.308 12.081 -27.619 565 1HZ LYS 72 HZ1 LYS 72 -17.016 11.280 -29.320 566 2HZ LYS 72 HZ3 LYS 72 -17.129 12.791 -28.550 567 3HZ LYS 72 HZ2 LYS 72 -17.067 11.364 -27.613 568 H LYS 73 HN LYS 73 -19.465 5.500 -24.757 569 HA LYS 73 HA LYS 73 -16.656 5.244 -25.673 570 1HB LYS 73 HB2 LYS 73 -17.896 4.588 -22.979 571 2HB LYS 73 HB1 LYS 73 -16.193 4.407 -23.399 572 1HG LYS 73 HG2 LYS 73 -17.588 7.067 -23.609 573 2HG LYS 73 HG1 LYS 73 -16.881 6.510 -22.099 574 1HD LYS 73 HD2 LYS 73 -14.968 6.113 -24.190 575 2HD LYS 73 HD1 LYS 73 -15.586 7.756 -24.313 576 1HE LYS 73 HE2 LYS 73 -13.616 7.691 -22.869 577 2HE LYS 73 HE1 LYS 73 -15.045 8.153 -21.954 578 1HZ LYS 73 HZ3 LYS 73 -15.209 5.833 -21.182 579 2HZ LYS 73 HZ2 LYS 73 -13.756 5.466 -21.991 580 3HZ LYS 73 HZ1 LYS 73 -13.767 6.586 -20.698 581 H HIS 74 HN HIS 74 -17.199 2.791 -23.632 582 HA HIS 74 HA HIS 74 -18.526 0.923 -25.440 583 1HB HIS 74 HB2 HIS 74 -15.595 0.959 -24.940 584 2HB HIS 74 HB1 HIS 74 -16.361 -0.609 -24.728 585 HD1 HIS 74 HD1 HIS 74 -15.737 2.004 -27.355 586 HD2 HIS 74 HD2 HIS 74 -17.116 -1.893 -27.105 587 HE1 HIS 74 HE1 HIS 74 -15.865 1.209 -29.725 588 H VAL 75 HN VAL 75 -20.098 0.966 -23.827 589 HA VAL 75 HA VAL 75 -19.374 -0.126 -21.176 590 HB VAL 75 HB VAL 75 -21.857 1.342 -22.118 591 1HG1 VAL 75 HG13 VAL 75 -21.178 0.176 -19.421 592 2HG1 VAL 75 HG12 VAL 75 -22.406 1.417 -19.656 593 3HG1 VAL 75 HG11 VAL 75 -22.597 -0.154 -20.422 594 1HG2 VAL 75 HG23 VAL 75 -19.710 2.666 -21.794 595 2HG2 VAL 75 HG22 VAL 75 -21.124 3.213 -20.896 596 3HG2 VAL 75 HG21 VAL 75 -19.869 2.283 -20.077 597 H PHE 76 HN PHE 76 -20.630 -1.837 -20.308 598 HA PHE 76 HA PHE 76 -22.463 -3.250 -22.083 599 1HB PHE 76 HB2 PHE 76 -21.372 -5.396 -21.826 600 2HB PHE 76 HB1 PHE 76 -20.310 -4.257 -22.627 601 HD1 PHE 76 HD1 PHE 76 -18.375 -3.274 -21.380 602 HD2 PHE 76 HD2 PHE 76 -20.776 -6.414 -19.768 603 HE1 PHE 76 HE1 PHE 76 -16.585 -3.822 -19.776 604 HE2 PHE 76 HE2 PHE 76 -18.990 -6.964 -18.160 605 HZ PHE 76 HZ PHE 76 -16.888 -5.672 -18.166 606 H LYS 77 HN LYS 77 -24.060 -4.210 -21.005 607 HA LYS 77 HA LYS 77 -24.226 -3.695 -18.142 608 1HB LYS 77 HB2 LYS 77 -26.395 -5.065 -19.680 609 2HB LYS 77 HB1 LYS 77 -26.516 -3.969 -18.312 610 1HG LYS 77 HG2 LYS 77 -25.409 -2.292 -20.119 611 2HG LYS 77 HG1 LYS 77 -26.276 -3.361 -21.216 612 1HD LYS 77 HD2 LYS 77 -27.810 -2.425 -18.858 613 2HD LYS 77 HD1 LYS 77 -27.368 -1.175 -20.016 614 1HE LYS 77 HE2 LYS 77 -29.435 -1.890 -20.819 615 2HE LYS 77 HE1 LYS 77 -28.320 -2.835 -21.796 616 1HZ LYS 77 HZ2 LYS 77 -28.673 -4.461 -19.718 617 2HZ LYS 77 HZ1 LYS 77 -30.188 -3.691 -19.751 618 3HZ LYS 77 HZ3 LYS 77 -29.620 -4.514 -21.133 619 H LEU 78 HN LEU 78 -24.465 -5.191 -16.574 620 HA LEU 78 HA LEU 78 -24.154 -8.051 -17.251 621 1HB LEU 78 HB2 LEU 78 -22.213 -6.419 -16.015 622 2HB LEU 78 HB1 LEU 78 -22.916 -7.358 -14.715 623 HG LEU 78 HG LEU 78 -21.499 -8.319 -17.177 624 1HD1 LEU 78 HD21 LEU 78 -21.133 -8.738 -14.212 625 2HD1 LEU 78 HD23 LEU 78 -20.250 -9.646 -15.440 626 3HD1 LEU 78 HD22 LEU 78 -20.055 -7.896 -15.330 627 1HD2 LEU 78 HD13 LEU 78 -23.665 -9.679 -15.734 628 2HD2 LEU 78 HD12 LEU 78 -22.991 -9.997 -17.336 629 3HD2 LEU 78 HD11 LEU 78 -22.193 -10.629 -15.895 630 H ARG 79 HN ARG 79 -25.995 -8.966 -16.625 631 HA ARG 79 HA ARG 79 -27.285 -8.051 -14.109 632 1HB ARG 79 HB2 ARG 79 -28.466 -7.575 -16.331 633 2HB ARG 79 HB1 ARG 79 -28.712 -9.314 -16.451 634 1HG ARG 79 HG2 ARG 79 -29.547 -8.784 -13.889 635 2HG ARG 79 HG1 ARG 79 -30.048 -7.331 -14.751 636 1HD ARG 79 HD2 ARG 79 -31.131 -8.848 -16.458 637 2HD ARG 79 HD1 ARG 79 -30.797 -10.197 -15.368 638 HE ARG 79 HE ARG 79 -32.648 -7.938 -14.825 639 1HH1 ARG 79 HH21 ARG 79 -32.508 -8.358 -12.221 640 2HH1 ARG 79 HH22 ARG 79 -33.188 -9.917 -11.818 641 1HH2 ARG 79 HH11 ARG 79 -33.049 -11.111 -15.136 642 2HH2 ARG 79 HH12 ARG 79 -33.517 -11.493 -13.495 643 H LEU 80 HN LEU 80 -27.080 -9.542 -12.532 644 HA LEU 80 HA LEU 80 -26.545 -12.334 -13.168 645 1HB LEU 80 HB2 LEU 80 -27.153 -11.169 -10.458 646 2HB LEU 80 HB1 LEU 80 -26.299 -12.658 -10.811 647 HG LEU 80 HG LEU 80 -25.340 -9.846 -11.313 648 1HD1 LEU 80 HD12 LEU 80 -25.248 -11.059 -8.978 649 2HD1 LEU 80 HD11 LEU 80 -23.858 -11.870 -9.703 650 3HD1 LEU 80 HD13 LEU 80 -23.880 -10.106 -9.564 651 1HD2 LEU 80 HD21 LEU 80 -24.355 -12.447 -12.360 652 2HD2 LEU 80 HD23 LEU 80 -24.357 -10.857 -13.115 653 3HD2 LEU 80 HD22 LEU 80 -23.163 -11.237 -11.873 654 H SER 81 HN SER 81 -27.920 -13.996 -11.844 655 HA SER 81 HA SER 81 -30.648 -13.708 -12.743 656 1HB SER 81 HB2 SER 81 -28.884 -15.845 -12.332 657 2HB SER 81 HB1 SER 81 -30.139 -16.057 -11.124 658 HG SER 81 HG SER 81 -31.455 -16.661 -12.658 659 H ASP 82 HN ASP 82 -28.994 -13.996 -9.598 660 HA ASP 82 HA ASP 82 -31.182 -12.614 -8.280 661 1HB ASP 82 HB2 ASP 82 -31.757 -14.362 -6.729 662 2HB ASP 82 HB1 ASP 82 -31.960 -14.962 -8.366 663 H GLY 83 HN GLY 83 -29.036 -11.293 -8.268 664 1HA GLY 83 HA2 GLY 83 -27.925 -11.538 -5.594 665 2HA GLY 83 HA1 GLY 83 -26.765 -11.794 -6.893 666 H ASN 84 HN ASN 84 -26.804 -9.987 -8.629 667 HA ASN 84 HA ASN 84 -27.413 -7.321 -7.586 668 1HB ASN 84 HB2 ASN 84 -24.661 -7.863 -8.651 669 2HB ASN 84 HB1 ASN 84 -25.199 -6.521 -7.652 670 1HD2 ASN 84 HD22 ASN 84 -24.357 -8.073 -4.634 671 2HD2 ASN 84 HD21 ASN 84 -25.007 -6.693 -5.456 672 H GLU 85 HN GLU 85 -26.722 -5.667 -9.288 673 HA GLU 85 HA GLU 85 -26.735 -6.593 -12.070 674 1HB GLU 85 HB2 GLU 85 -28.822 -4.864 -10.764 675 2HB GLU 85 HB1 GLU 85 -28.501 -4.762 -12.492 676 1HG GLU 85 HG2 GLU 85 -28.905 -7.254 -12.605 677 2HG GLU 85 HG1 GLU 85 -29.453 -7.178 -10.938 678 H TYR 86 HN TYR 86 -25.328 -5.329 -13.249 679 HA TYR 86 HA TYR 86 -24.707 -2.588 -12.343 680 1HB TYR 86 HB2 TYR 86 -22.518 -4.581 -12.927 681 2HB TYR 86 HB1 TYR 86 -22.345 -2.946 -12.316 682 HD1 TYR 86 HD1 TYR 86 -22.784 -2.431 -9.998 683 HD2 TYR 86 HD2 TYR 86 -23.078 -6.424 -11.466 684 HE1 TYR 86 HE1 TYR 86 -22.640 -3.282 -7.702 685 HE2 TYR 86 HE2 TYR 86 -22.904 -7.281 -9.170 686 HH TYR 86 HH TYR 86 -22.805 -5.054 -6.386 687 H LEU 87 HN LEU 87 -23.191 -1.519 -13.816 688 HA LEU 87 HA LEU 87 -23.345 -2.368 -16.650 689 1HB LEU 87 HB2 LEU 87 -23.283 0.513 -15.701 690 2HB LEU 87 HB1 LEU 87 -23.496 -0.066 -17.345 691 HG LEU 87 HG LEU 87 -25.453 -0.307 -15.066 692 1HD1 LEU 87 HD12 LEU 87 -25.004 1.823 -16.672 693 2HD1 LEU 87 HD11 LEU 87 -26.191 0.942 -17.644 694 3HD1 LEU 87 HD13 LEU 87 -26.584 1.423 -15.991 695 1HD2 LEU 87 HD22 LEU 87 -25.306 -1.702 -17.689 696 2HD2 LEU 87 HD21 LEU 87 -25.978 -2.248 -16.152 697 3HD2 LEU 87 HD23 LEU 87 -26.887 -1.126 -17.161 698 H PHE 88 HN PHE 88 -21.307 -2.614 -17.488 699 HA PHE 88 HA PHE 88 -19.057 -1.484 -15.942 700 1HB PHE 88 HB2 PHE 88 -19.344 -4.046 -17.465 701 2HB PHE 88 HB1 PHE 88 -17.763 -3.387 -17.065 702 HD1 PHE 88 HD1 PHE 88 -17.039 -3.206 -14.731 703 HD2 PHE 88 HD2 PHE 88 -20.749 -5.031 -15.782 704 HE1 PHE 88 HE1 PHE 88 -17.176 -4.215 -12.488 705 HE2 PHE 88 HE2 PHE 88 -20.888 -6.044 -13.543 706 HZ PHE 88 HZ PHE 88 -19.091 -5.690 -11.916 707 H GLN 89 HN GLN 89 -17.344 -0.537 -16.981 708 HA GLN 89 HA GLN 89 -17.603 -0.050 -19.903 709 1HB GLN 89 HB2 GLN 89 -18.078 1.939 -18.225 710 2HB GLN 89 HB1 GLN 89 -16.323 1.984 -18.115 711 1HG GLN 89 HG2 GLN 89 -16.097 2.317 -20.494 712 2HG GLN 89 HG1 GLN 89 -17.830 2.117 -20.728 713 1HE2 GLN 89 HE22 GLN 89 -18.519 5.293 -19.004 714 2HE2 GLN 89 HE21 GLN 89 -19.000 3.634 -18.897 715 H ALA 90 HN ALA 90 -15.816 -0.464 -21.071 716 HA ALA 90 HA ALA 90 -13.342 -1.225 -19.622 717 1HB ALA 90 HB3 ALA 90 -14.546 -2.921 -21.111 718 2HB ALA 90 HB2 ALA 90 -14.038 -1.920 -22.476 719 3HB ALA 90 HB1 ALA 90 -12.830 -2.673 -21.435 720 H LYS 91 HN LYS 91 -11.318 -0.819 -20.867 721 HA LYS 91 HA LYS 91 -11.145 1.975 -21.566 722 1HB LYS 91 HB2 LYS 91 -8.747 1.535 -21.839 723 2HB LYS 91 HB1 LYS 91 -9.356 0.897 -20.316 724 1HG LYS 91 HG2 LYS 91 -9.637 -1.325 -21.721 725 2HG LYS 91 HG1 LYS 91 -8.436 -0.568 -22.759 726 1HD LYS 91 HD2 LYS 91 -7.517 -0.250 -20.101 727 2HD LYS 91 HD1 LYS 91 -8.075 -1.912 -20.239 728 1HE LYS 91 HE2 LYS 91 -6.114 -0.572 -22.115 729 2HE LYS 91 HE1 LYS 91 -5.679 -1.665 -20.807 730 1HZ LYS 91 HZ2 LYS 91 -6.942 -3.420 -21.883 731 2HZ LYS 91 HZ1 LYS 91 -7.365 -2.359 -23.151 732 3HZ LYS 91 HZ3 LYS 91 -5.738 -2.800 -22.927 733 H ASP 92 HN ASP 92 -10.829 -1.092 -23.362 734 HA ASP 92 HA ASP 92 -11.264 0.389 -25.874 735 1HB ASP 92 HB2 ASP 92 -9.622 -0.979 -27.034 736 2HB ASP 92 HB1 ASP 92 -8.871 -0.125 -25.696 737 H ASP 93 HN ASP 93 -11.984 -1.026 -27.658 738 HA ASP 93 HA ASP 93 -14.287 -2.485 -26.881 739 1HB ASP 93 HB2 ASP 93 -14.784 -2.703 -29.157 740 2HB ASP 93 HB1 ASP 93 -13.892 -1.191 -29.057 741 H GLU 94 HN GLU 94 -11.061 -3.569 -27.801 742 HA GLU 94 HA GLU 94 -11.652 -6.310 -28.192 743 1HB GLU 94 HB2 GLU 94 -9.500 -4.981 -28.760 744 2HB GLU 94 HB1 GLU 94 -9.020 -5.337 -27.106 745 1HG GLU 94 HG2 GLU 94 -9.973 -7.770 -28.225 746 2HG GLU 94 HG1 GLU 94 -8.932 -7.034 -29.441 747 H GLU 95 HN GLU 95 -10.520 -4.527 -25.316 748 HA GLU 95 HA GLU 95 -10.477 -6.784 -23.568 749 1HB GLU 95 HB2 GLU 95 -9.371 -4.481 -23.213 750 2HB GLU 95 HB1 GLU 95 -10.950 -3.952 -22.634 751 1HG GLU 95 HG2 GLU 95 -10.904 -5.407 -20.807 752 2HG GLU 95 HG1 GLU 95 -9.690 -6.453 -21.530 753 H MET 96 HN MET 96 -12.941 -4.369 -24.366 754 HA MET 96 HA MET 96 -14.911 -5.069 -22.466 755 1HB MET 96 HB2 MET 96 -14.836 -3.056 -24.073 756 2HB MET 96 HB1 MET 96 -15.526 -4.140 -25.270 757 1HG MET 96 HG2 MET 96 -17.194 -4.585 -23.166 758 2HG MET 96 HG1 MET 96 -16.759 -2.906 -22.887 759 1HE MET 96 HE3 MET 96 -17.922 -5.500 -25.362 760 2HE MET 96 HE2 MET 96 -18.969 -4.648 -26.494 761 3HE MET 96 HE1 MET 96 -17.221 -4.534 -26.669 762 H ASN 97 HN ASN 97 -14.277 -6.287 -25.742 763 HA ASN 97 HA ASN 97 -16.473 -8.087 -25.892 764 1HB ASN 97 HB2 ASN 97 -14.769 -7.127 -27.712 765 2HB ASN 97 HB1 ASN 97 -13.920 -8.628 -27.367 766 1HD2 ASN 97 HD22 ASN 97 -16.593 -8.948 -30.100 767 2HD2 ASN 97 HD21 ASN 97 -15.406 -7.708 -29.794 768 H THR 98 HN THR 98 -13.124 -8.416 -24.803 769 HA THR 98 HA THR 98 -13.139 -11.230 -24.381 770 HB THR 98 HB THR 98 -11.426 -9.163 -22.979 771 HG1 THR 98 HG1 THR 98 -11.136 -8.809 -25.138 772 1HG2 THR 98 HG23 THR 98 -11.147 -12.130 -23.458 773 2HG2 THR 98 HG22 THR 98 -9.763 -11.103 -23.078 774 3HG2 THR 98 HG21 THR 98 -11.092 -11.254 -21.928 775 H TRP 99 HN TRP 99 -13.853 -8.455 -22.273 776 HA TRP 99 HA TRP 99 -14.179 -9.828 -19.829 777 1HB TRP 99 HB2 TRP 99 -15.164 -7.214 -20.924 778 2HB TRP 99 HB1 TRP 99 -15.851 -7.811 -19.423 779 HD1 TRP 99 HD1 TRP 99 -13.162 -5.616 -20.543 780 HE1 TRP 99 HE1 TRP 99 -11.396 -5.339 -18.719 781 HE3 TRP 99 HE3 TRP 99 -14.472 -9.470 -17.418 782 HZ2 TRP 99 HZ2 TRP 99 -10.629 -6.534 -16.307 783 HZ3 TRP 99 HZ3 TRP 99 -13.172 -9.833 -15.359 784 HH2 TRP 99 HH2 TRP 99 -11.266 -8.375 -14.809 785 H ILE 100 HN ILE 100 -16.627 -8.888 -22.256 786 HA ILE 100 HA ILE 100 -18.889 -9.992 -21.022 787 HB ILE 100 HB ILE 100 -18.221 -9.526 -23.931 788 1HG1 ILE 100 HG12 ILE 100 -20.062 -8.015 -22.067 789 2HG1 ILE 100 HG11 ILE 100 -18.402 -7.548 -22.409 790 1HG2 ILE 100 HG21 ILE 100 -20.787 -10.500 -22.697 791 2HG2 ILE 100 HG23 ILE 100 -20.767 -9.617 -24.223 792 3HG2 ILE 100 HG22 ILE 100 -19.914 -11.154 -24.084 793 1HD1 ILE 100 HD11 ILE 100 -19.026 -7.449 -24.849 794 2HD1 ILE 100 HD13 ILE 100 -20.703 -7.681 -24.355 795 3HD1 ILE 100 HD12 ILE 100 -19.821 -6.245 -23.833 796 H GLN 101 HN GLN 101 -16.726 -11.464 -23.457 797 HA GLN 101 HA GLN 101 -18.051 -13.967 -23.578 798 1HB GLN 101 HB2 GLN 101 -15.251 -13.116 -24.310 799 2HB GLN 101 HB1 GLN 101 -15.852 -14.754 -24.575 800 1HG GLN 101 HG2 GLN 101 -17.696 -13.841 -25.950 801 2HG GLN 101 HG1 GLN 101 -17.065 -12.215 -25.711 802 1HE2 GLN 101 HE22 GLN 101 -14.163 -12.791 -27.786 803 2HE2 GLN 101 HE21 GLN 101 -14.646 -12.027 -26.305 804 H ALA 102 HN ALA 102 -15.392 -12.809 -21.529 805 HA ALA 102 HA ALA 102 -14.754 -15.337 -20.366 806 1HB ALA 102 HB3 ALA 102 -13.217 -13.411 -20.298 807 2HB ALA 102 HB2 ALA 102 -14.340 -12.556 -19.238 808 3HB ALA 102 HB1 ALA 102 -13.550 -14.034 -18.682 809 H ILE 103 HN ILE 103 -16.950 -12.714 -19.446 810 HA ILE 103 HA ILE 103 -17.800 -13.788 -16.938 811 HB ILE 103 HB ILE 103 -18.940 -11.759 -18.858 812 1HG1 ILE 103 HG12 ILE 103 -18.088 -11.278 -16.023 813 2HG1 ILE 103 HG11 ILE 103 -16.874 -11.419 -17.285 814 1HG2 ILE 103 HG22 ILE 103 -20.158 -12.741 -16.280 815 2HG2 ILE 103 HG21 ILE 103 -20.509 -11.155 -16.961 816 3HG2 ILE 103 HG23 ILE 103 -20.919 -12.606 -17.871 817 1HD1 ILE 103 HD11 ILE 103 -19.071 -9.621 -18.016 818 2HD1 ILE 103 HD13 ILE 103 -18.183 -9.094 -16.587 819 3HD1 ILE 103 HD12 ILE 103 -17.329 -9.367 -18.107 820 H SER 104 HN SER 104 -18.824 -14.299 -20.272 821 HA SER 104 HA SER 104 -21.295 -15.612 -19.723 822 1HB SER 104 HB2 SER 104 -19.507 -15.919 -22.151 823 2HB SER 104 HB1 SER 104 -21.219 -16.314 -22.043 824 HG SER 104 HG SER 104 -20.047 -13.722 -21.819 825 H SER 105 HN SER 105 -17.994 -16.790 -20.341 826 HA SER 105 HA SER 105 -18.639 -19.576 -20.074 827 1HB SER 105 HB2 SER 105 -15.922 -18.283 -19.770 828 2HB SER 105 HB1 SER 105 -16.271 -19.957 -20.196 829 HG SER 105 HG SER 105 -17.047 -19.299 -22.174 830 H ALA 106 HN ALA 106 -17.004 -17.222 -17.960 831 HA ALA 106 HA ALA 106 -16.696 -17.086 -15.713 832 1HB ALA 106 HB2 ALA 106 -19.254 -17.618 -15.896 833 2HB ALA 106 HB1 ALA 106 -18.788 -19.178 -15.216 834 3HB ALA 106 HB3 ALA 106 -18.449 -17.691 -14.332 No H/Q in entry = 834 Start of MODEL 34 1 1H MET 1 HT1 MET 1 -9.820 -11.337 -17.670 2 2H MET 1 HT3 MET 1 -8.287 -12.069 -17.574 3 3H MET 1 HT2 MET 1 -9.586 -12.902 -18.310 4 HA MET 1 HA MET 1 -10.651 -13.306 -16.322 5 1HB MET 1 HB2 MET 1 -8.434 -14.534 -16.627 6 2HB MET 1 HB1 MET 1 -7.755 -13.410 -15.456 7 1HG MET 1 HG2 MET 1 -9.154 -14.204 -13.724 8 2HG MET 1 HG1 MET 1 -10.234 -15.007 -14.853 9 1HE MET 1 HE1 MET 1 -6.971 -14.854 -13.063 10 2HE MET 1 HE3 MET 1 -6.285 -16.484 -13.137 11 3HE MET 1 HE2 MET 1 -6.076 -15.373 -14.492 12 H GLU 2 HN GLU 2 -7.983 -11.028 -15.683 13 HA GLU 2 HA GLU 2 -9.674 -9.665 -13.675 14 1HB GLU 2 HB2 GLU 2 -6.739 -9.457 -13.312 15 2HB GLU 2 HB1 GLU 2 -8.019 -9.553 -12.120 16 1HG GLU 2 HG2 GLU 2 -7.082 -11.589 -11.735 17 2HG GLU 2 HG1 GLU 2 -8.155 -12.073 -13.043 18 H GLY 3 HN GLY 3 -8.928 -7.375 -13.322 19 1HA GLY 3 HA2 GLY 3 -7.285 -5.781 -14.712 20 2HA GLY 3 HA1 GLY 3 -8.551 -6.072 -15.906 21 H PHE 4 HN PHE 4 -8.224 -3.528 -15.239 22 HA PHE 4 HA PHE 4 -9.973 -2.745 -13.039 23 1HB PHE 4 HB2 PHE 4 -8.277 -1.269 -15.016 24 2HB PHE 4 HB1 PHE 4 -9.508 -0.415 -14.112 25 HD1 PHE 4 HD1 PHE 4 -9.460 -0.538 -11.582 26 HD2 PHE 4 HD2 PHE 4 -6.168 -1.732 -14.032 27 HE1 PHE 4 HE1 PHE 4 -7.942 -0.308 -9.662 28 HE2 PHE 4 HE2 PHE 4 -4.654 -1.501 -12.103 29 HZ PHE 4 HZ PHE 4 -5.537 -0.789 -9.923 30 H LEU 5 HN LEU 5 -11.952 -1.799 -13.251 31 HA LEU 5 HA LEU 5 -13.170 -1.342 -15.865 32 1HB LEU 5 HB2 LEU 5 -13.863 -3.655 -14.095 33 2HB LEU 5 HB1 LEU 5 -15.178 -2.808 -14.896 34 HG LEU 5 HG LEU 5 -12.819 -4.113 -16.251 35 1HD1 LEU 5 HD11 LEU 5 -15.677 -4.896 -15.822 36 2HD1 LEU 5 HD13 LEU 5 -14.819 -5.447 -17.258 37 3HD1 LEU 5 HD12 LEU 5 -14.211 -5.863 -15.657 38 1HD2 LEU 5 HD23 LEU 5 -14.972 -2.319 -17.273 39 2HD2 LEU 5 HD22 LEU 5 -13.271 -2.412 -17.733 40 3HD2 LEU 5 HD21 LEU 5 -14.408 -3.638 -18.297 41 H ASN 6 HN ASN 6 -14.841 0.124 -15.744 42 HA ASN 6 HA ASN 6 -15.288 1.437 -13.166 43 1HB ASN 6 HB2 ASN 6 -15.307 2.297 -15.884 44 2HB ASN 6 HB1 ASN 6 -16.928 2.534 -15.251 45 1HD2 ASN 6 HD22 ASN 6 -13.904 4.936 -14.073 46 2HD2 ASN 6 HD21 ASN 6 -13.713 3.674 -15.252 47 H ARG 7 HN ARG 7 -16.881 0.799 -11.854 48 HA ARG 7 HA ARG 7 -19.077 -0.825 -12.994 49 1HB ARG 7 HB2 ARG 7 -17.535 -1.873 -11.308 50 2HB ARG 7 HB1 ARG 7 -18.166 -0.740 -10.120 51 1HG ARG 7 HG2 ARG 7 -20.414 -1.640 -10.397 52 2HG ARG 7 HG1 ARG 7 -19.860 -2.694 -11.695 53 1HD ARG 7 HD2 ARG 7 -19.770 -4.200 -9.971 54 2HD ARG 7 HD1 ARG 7 -18.162 -3.500 -9.798 55 HE ARG 7 HE ARG 7 -20.404 -2.369 -8.225 56 1HH1 ARG 7 HH21 ARG 7 -17.935 -1.295 -7.312 57 2HH1 ARG 7 HH22 ARG 7 -17.318 -2.401 -6.134 58 1HH2 ARG 7 HH11 ARG 7 -19.500 -5.018 -7.087 59 2HH2 ARG 7 HH12 ARG 7 -18.270 -4.527 -5.961 60 H LYS 8 HN LYS 8 -21.127 -0.413 -12.613 61 HA LYS 8 HA LYS 8 -22.015 1.710 -10.796 62 1HB LYS 8 HB2 LYS 8 -21.670 2.771 -13.007 63 2HB LYS 8 HB1 LYS 8 -22.748 1.601 -13.739 64 1HG LYS 8 HG2 LYS 8 -24.156 2.745 -11.558 65 2HG LYS 8 HG1 LYS 8 -23.383 4.077 -12.411 66 1HD LYS 8 HD2 LYS 8 -24.484 3.601 -14.422 67 2HD LYS 8 HD1 LYS 8 -24.943 1.982 -13.898 68 1HE LYS 8 HE2 LYS 8 -26.709 2.734 -12.636 69 2HE LYS 8 HE1 LYS 8 -25.941 4.279 -12.282 70 1HZ LYS 8 HZ3 LYS 8 -26.360 4.896 -14.643 71 2HZ LYS 8 HZ2 LYS 8 -27.280 3.468 -14.801 72 3HZ LYS 8 HZ1 LYS 8 -27.765 4.679 -13.713 73 H HIS 9 HN HIS 9 -23.229 0.385 -9.516 74 HA HIS 9 HA HIS 9 -24.722 -1.837 -10.584 75 1HB HIS 9 HB2 HIS 9 -25.563 -2.083 -8.232 76 2HB HIS 9 HB1 HIS 9 -23.829 -2.207 -8.434 77 HD1 HIS 9 HD1 HIS 9 -24.382 -1.742 -5.707 78 HD2 HIS 9 HD2 HIS 9 -24.422 1.483 -8.304 79 HE1 HIS 9 HE1 HIS 9 -24.043 0.271 -4.255 80 H GLU 10 HN GLU 10 -26.283 -1.128 -11.962 81 HA GLU 10 HA GLU 10 -28.030 1.048 -11.647 82 1HB GLU 10 HB2 GLU 10 -28.113 -1.509 -13.213 83 2HB GLU 10 HB1 GLU 10 -29.566 -0.520 -13.133 84 1HG GLU 10 HG2 GLU 10 -26.933 0.735 -13.854 85 2HG GLU 10 HG1 GLU 10 -27.840 -0.156 -15.072 86 H TRP 11 HN TRP 11 -28.279 -2.304 -10.608 87 HA TRP 11 HA TRP 11 -30.258 -1.600 -8.581 88 1HB TRP 11 HB2 TRP 11 -31.615 -2.212 -10.525 89 2HB TRP 11 HB1 TRP 11 -30.731 -3.717 -10.696 90 HD1 TRP 11 HD1 TRP 11 -33.062 -2.014 -8.029 91 HE1 TRP 11 HE1 TRP 11 -34.408 -3.896 -6.921 92 HE3 TRP 11 HE3 TRP 11 -30.920 -6.072 -10.269 93 HZ2 TRP 11 HZ2 TRP 11 -34.541 -6.700 -6.943 94 HZ3 TRP 11 HZ3 TRP 11 -31.688 -8.331 -9.676 95 HH2 TRP 11 HH2 TRP 11 -33.479 -8.649 -8.030 96 H GLU 12 HN GLU 12 -29.463 -2.389 -6.792 97 HA GLU 12 HA GLU 12 -28.211 -5.052 -6.723 98 1HB GLU 12 HB2 GLU 12 -26.358 -3.481 -6.753 99 2HB GLU 12 HB1 GLU 12 -27.101 -2.515 -5.484 100 1HG GLU 12 HG2 GLU 12 -26.426 -3.922 -3.824 101 2HG GLU 12 HG1 GLU 12 -26.681 -5.364 -4.803 102 H ALA 13 HN ALA 13 -29.831 -6.036 -5.704 103 HA ALA 13 HA ALA 13 -30.950 -6.818 -3.844 104 1HB ALA 13 HB1 ALA 13 -29.274 -5.367 -2.451 105 2HB ALA 13 HB3 ALA 13 -30.617 -4.222 -2.354 106 3HB ALA 13 HB2 ALA 13 -30.802 -5.857 -1.724 107 H HIS 14 HN HIS 14 -33.128 -6.637 -3.192 108 HA HIS 14 HA HIS 14 -34.757 -5.095 -4.993 109 1HB HIS 14 HB2 HIS 14 -36.620 -6.252 -4.043 110 2HB HIS 14 HB1 HIS 14 -35.306 -7.387 -4.279 111 HD1 HIS 14 HD1 HIS 14 -37.511 -8.112 -2.374 112 HD2 HIS 14 HD2 HIS 14 -34.086 -6.149 -1.134 113 HE1 HIS 14 HE1 HIS 14 -37.320 -8.623 0.070 114 H ASN 15 HN ASN 15 -33.178 -3.497 -3.077 115 HA ASN 15 HA ASN 15 -35.223 -1.601 -2.366 116 1HB ASN 15 HB2 ASN 15 -35.170 -3.328 -0.443 117 2HB ASN 15 HB1 ASN 15 -33.590 -2.658 -0.047 118 1HD2 ASN 15 HD22 ASN 15 -35.944 -0.796 2.043 119 2HD2 ASN 15 HD21 ASN 15 -35.234 -2.384 1.926 120 H LYS 16 HN LYS 16 -33.209 -1.322 -4.140 121 HA LYS 16 HA LYS 16 -31.801 0.951 -3.172 122 1HB LYS 16 HB2 LYS 16 -30.425 -1.656 -3.069 123 2HB LYS 16 HB1 LYS 16 -29.519 -0.394 -3.895 124 1HG LYS 16 HG2 LYS 16 -30.343 0.953 -1.676 125 2HG LYS 16 HG1 LYS 16 -30.198 -0.680 -1.035 126 1HD LYS 16 HD2 LYS 16 -28.031 0.817 -2.524 127 2HD LYS 16 HD1 LYS 16 -28.109 0.595 -0.779 128 1HE LYS 16 HE2 LYS 16 -28.282 -1.981 -1.550 129 2HE LYS 16 HE1 LYS 16 -27.377 -1.342 -2.921 130 1HZ LYS 16 HZ1 LYS 16 -26.604 -0.988 -0.069 131 2HZ LYS 16 HZ3 LYS 16 -25.956 -2.170 -1.116 132 3HZ LYS 16 HZ2 LYS 16 -25.705 -0.515 -1.437 133 H LYS 17 HN LYS 17 -30.774 2.104 -4.787 134 HA LYS 17 HA LYS 17 -30.617 1.082 -7.503 135 1HB LYS 17 HB2 LYS 17 -33.012 2.134 -6.869 136 2HB LYS 17 HB1 LYS 17 -32.155 3.626 -7.231 137 1HG LYS 17 HG2 LYS 17 -31.760 1.480 -9.223 138 2HG LYS 17 HG1 LYS 17 -33.419 2.039 -9.083 139 1HD LYS 17 HD2 LYS 17 -32.965 3.946 -10.169 140 2HD LYS 17 HD1 LYS 17 -31.581 4.282 -9.134 141 1HE LYS 17 HE2 LYS 17 -30.760 4.122 -11.369 142 2HE LYS 17 HE1 LYS 17 -30.242 2.675 -10.517 143 1HZ LYS 17 HZ2 LYS 17 -32.157 1.503 -11.516 144 2HZ LYS 17 HZ1 LYS 17 -32.481 2.905 -12.441 145 3HZ LYS 17 HZ3 LYS 17 -31.015 2.068 -12.655 146 H ALA 18 HN ALA 18 -29.275 2.350 -8.797 147 HA ALA 18 HA ALA 18 -27.999 4.729 -7.607 148 1HB ALA 18 HB3 ALA 18 -26.807 2.160 -7.767 149 2HB ALA 18 HB2 ALA 18 -26.029 3.154 -8.999 150 3HB ALA 18 HB1 ALA 18 -26.041 3.679 -7.315 151 H SER 19 HN SER 19 -28.277 6.316 -9.023 152 HA SER 19 HA SER 19 -28.709 5.699 -11.862 153 1HB SER 19 HB2 SER 19 -29.175 8.303 -10.414 154 2HB SER 19 HB1 SER 19 -29.770 7.841 -12.008 155 HG SER 19 HG SER 19 -31.248 6.533 -11.126 156 H SER 20 HN SER 20 -26.542 7.689 -9.831 157 HA SER 20 HA SER 20 -24.687 7.879 -12.088 158 1HB SER 20 HB2 SER 20 -24.661 10.510 -11.484 159 2HB SER 20 HB1 SER 20 -25.639 9.824 -12.775 160 HG SER 20 HG SER 20 -26.460 10.498 -10.126 161 H ARG 21 HN ARG 21 -25.353 8.205 -8.699 162 HA ARG 21 HA ARG 21 -22.913 9.364 -7.850 163 1HB ARG 21 HB2 ARG 21 -25.130 8.982 -6.562 164 2HB ARG 21 HB1 ARG 21 -24.461 7.399 -6.181 165 1HG ARG 21 HG2 ARG 21 -22.434 9.362 -5.698 166 2HG ARG 21 HG1 ARG 21 -23.920 9.904 -4.933 167 1HD ARG 21 HD2 ARG 21 -22.866 8.605 -3.274 168 2HD ARG 21 HD1 ARG 21 -24.079 7.522 -3.956 169 HE ARG 21 HE ARG 21 -21.414 7.357 -5.154 170 1HH1 ARG 21 HH11 ARG 21 -22.682 4.908 -5.584 171 2HH1 ARG 21 HH12 ARG 21 -22.288 3.896 -4.225 172 1HH2 ARG 21 HH21 ARG 21 -21.409 6.590 -2.132 173 2HH2 ARG 21 HH22 ARG 21 -21.588 4.852 -2.238 174 H SER 22 HN SER 22 -23.747 6.058 -8.671 175 HA SER 22 HA SER 22 -21.190 5.044 -7.617 176 1HB SER 22 HB2 SER 22 -23.393 3.413 -8.871 177 2HB SER 22 HB1 SER 22 -22.110 2.880 -7.785 178 HG SER 22 HG SER 22 -23.939 3.083 -6.541 179 H TRP 23 HN TRP 23 -19.612 5.546 -9.027 180 HA TRP 23 HA TRP 23 -19.453 4.070 -11.508 181 1HB TRP 23 HB2 TRP 23 -19.983 6.994 -11.529 182 2HB TRP 23 HB1 TRP 23 -18.617 6.494 -12.511 183 HD1 TRP 23 HD1 TRP 23 -22.039 7.290 -13.067 184 HE1 TRP 23 HE1 TRP 23 -23.040 5.998 -15.032 185 HE3 TRP 23 HE3 TRP 23 -18.543 3.565 -13.581 186 HZ2 TRP 23 HZ2 TRP 23 -22.488 3.730 -16.590 187 HZ3 TRP 23 HZ3 TRP 23 -18.847 1.866 -15.334 188 HH2 TRP 23 HH2 TRP 23 -20.801 1.951 -16.837 189 H HIS 24 HN HIS 24 -17.874 3.110 -10.129 190 HA HIS 24 HA HIS 24 -15.412 4.744 -9.749 191 1HB HIS 24 HB2 HIS 24 -14.916 3.019 -7.886 192 2HB HIS 24 HB1 HIS 24 -16.104 4.278 -7.569 193 HD1 HIS 24 HD1 HIS 24 -18.306 3.489 -6.716 194 HD2 HIS 24 HD2 HIS 24 -16.209 0.440 -8.562 195 HE1 HIS 24 HE1 HIS 24 -19.700 1.445 -6.367 196 H ASN 25 HN ASN 25 -13.472 3.937 -10.365 197 HA ASN 25 HA ASN 25 -13.438 1.687 -12.213 198 1HB ASN 25 HB2 ASN 25 -12.140 3.804 -12.619 199 2HB ASN 25 HB1 ASN 25 -11.126 3.400 -11.235 200 1HD2 ASN 25 HD22 ASN 25 -9.059 2.001 -13.756 201 2HD2 ASN 25 HD21 ASN 25 -9.350 3.399 -12.767 202 H VAL 26 HN VAL 26 -13.803 -0.139 -11.012 203 HA VAL 26 HA VAL 26 -12.058 -0.738 -8.710 204 HB VAL 26 HB VAL 26 -14.537 -0.842 -8.479 205 1HG1 VAL 26 HG11 VAL 26 -15.043 -1.716 -10.740 206 2HG1 VAL 26 HG13 VAL 26 -14.368 -3.277 -10.261 207 3HG1 VAL 26 HG12 VAL 26 -15.805 -2.648 -9.454 208 1HG2 VAL 26 HG22 VAL 26 -12.778 -2.283 -7.212 209 2HG2 VAL 26 HG21 VAL 26 -14.501 -2.594 -7.015 210 3HG2 VAL 26 HG23 VAL 26 -13.541 -3.619 -8.084 211 H TYR 27 HN TYR 27 -11.033 -2.795 -8.557 212 HA TYR 27 HA TYR 27 -10.160 -3.872 -11.152 213 1HB TYR 27 HB2 TYR 27 -8.556 -3.167 -9.270 214 2HB TYR 27 HB1 TYR 27 -9.084 -4.614 -8.430 215 HD1 TYR 27 HD1 TYR 27 -7.220 -3.315 -11.318 216 HD2 TYR 27 HD2 TYR 27 -8.452 -6.813 -9.209 217 HE1 TYR 27 HE1 TYR 27 -5.575 -4.659 -12.572 218 HE2 TYR 27 HE2 TYR 27 -6.816 -8.149 -10.460 219 HH TYR 27 HH TYR 27 -5.573 -8.094 -12.490 220 H CYS 28 HN CYS 28 -11.392 -5.485 -11.909 221 HA CYS 28 HA CYS 28 -12.840 -7.240 -10.085 222 1HB CYS 28 HB2 CYS 28 -13.292 -6.128 -12.643 223 2HB CYS 28 HB1 CYS 28 -13.213 -7.856 -12.854 224 HG CYS 28 HG CYS 28 -15.099 -6.688 -10.683 225 H VAL 29 HN VAL 29 -12.726 -9.457 -10.210 226 HA VAL 29 HA VAL 29 -10.512 -10.747 -11.649 227 HB VAL 29 HB VAL 29 -10.900 -11.056 -8.660 228 1HG1 VAL 29 HG12 VAL 29 -8.949 -12.218 -10.641 229 2HG1 VAL 29 HG11 VAL 29 -8.615 -12.175 -8.909 230 3HG1 VAL 29 HG13 VAL 29 -10.011 -13.068 -9.512 231 1HG2 VAL 29 HG21 VAL 29 -8.805 -9.486 -10.159 232 2HG2 VAL 29 HG23 VAL 29 -9.992 -8.865 -9.010 233 3HG2 VAL 29 HG22 VAL 29 -8.697 -9.922 -8.459 234 H ILE 30 HN ILE 30 -11.520 -12.348 -12.709 235 HA ILE 30 HA ILE 30 -13.943 -13.589 -11.634 236 HB ILE 30 HB ILE 30 -12.448 -14.119 -14.214 237 1HG1 ILE 30 HG12 ILE 30 -14.944 -12.480 -13.719 238 2HG1 ILE 30 HG11 ILE 30 -13.351 -11.819 -14.058 239 1HG2 ILE 30 HG21 ILE 30 -14.691 -15.453 -12.930 240 2HG2 ILE 30 HG23 ILE 30 -15.122 -14.843 -14.525 241 3HG2 ILE 30 HG22 ILE 30 -13.755 -15.943 -14.341 242 1HD1 ILE 30 HD13 ILE 30 -13.450 -13.245 -16.215 243 2HD1 ILE 30 HD12 ILE 30 -15.182 -13.350 -15.887 244 3HD1 ILE 30 HD11 ILE 30 -14.424 -11.776 -16.143 245 H ASN 31 HN ASN 31 -13.813 -15.282 -10.318 246 HA ASN 31 HA ASN 31 -11.503 -17.133 -10.522 247 1HB ASN 31 HB2 ASN 31 -11.511 -15.627 -8.481 248 2HB ASN 31 HB1 ASN 31 -12.992 -16.434 -7.972 249 1HD2 ASN 31 HD22 ASN 31 -11.209 -18.995 -6.434 250 2HD2 ASN 31 HD21 ASN 31 -12.588 -17.936 -6.482 251 H ASN 32 HN ASN 32 -12.635 -18.525 -11.888 252 HA ASN 32 HA ASN 32 -13.821 -20.404 -12.362 253 1HB ASN 32 HB2 ASN 32 -13.217 -20.798 -9.781 254 2HB ASN 32 HB1 ASN 32 -14.960 -20.690 -9.601 255 1HD2 ASN 32 HD22 ASN 32 -13.242 -23.864 -11.522 256 2HD2 ASN 32 HD21 ASN 32 -12.340 -22.418 -11.159 257 H GLN 33 HN GLN 33 -16.283 -19.893 -9.965 258 HA GLN 33 HA GLN 33 -18.084 -18.775 -12.045 259 1HB GLN 33 HB2 GLN 33 -18.895 -20.505 -9.705 260 2HB GLN 33 HB1 GLN 33 -19.894 -20.004 -11.067 261 1HG GLN 33 HG2 GLN 33 -18.047 -21.235 -12.495 262 2HG GLN 33 HG1 GLN 33 -17.683 -22.040 -10.970 263 1HE2 GLN 33 HE22 GLN 33 -21.366 -22.651 -12.689 264 2HE2 GLN 33 HE21 GLN 33 -20.521 -21.150 -12.929 265 H GLU 34 HN GLU 34 -16.346 -17.605 -9.703 266 HA GLU 34 HA GLU 34 -18.451 -15.782 -8.698 267 1HB GLU 34 HB2 GLU 34 -16.161 -16.961 -7.103 268 2HB GLU 34 HB1 GLU 34 -17.222 -15.678 -6.536 269 1HG GLU 34 HG2 GLU 34 -18.735 -17.995 -7.484 270 2HG GLU 34 HG1 GLU 34 -17.599 -18.436 -6.217 271 H MET 35 HN MET 35 -17.875 -13.644 -8.709 272 HA MET 35 HA MET 35 -15.192 -12.966 -9.771 273 1HB MET 35 HB2 MET 35 -16.161 -10.985 -10.717 274 2HB MET 35 HB1 MET 35 -17.151 -12.356 -11.201 275 1HG MET 35 HG2 MET 35 -18.680 -11.794 -9.269 276 2HG MET 35 HG1 MET 35 -17.758 -10.313 -9.067 277 1HE MET 35 HE1 MET 35 -17.280 -8.705 -10.973 278 2HE MET 35 HE3 MET 35 -17.337 -9.584 -12.505 279 3HE MET 35 HE2 MET 35 -18.469 -8.266 -12.201 280 H GLY 36 HN GLY 36 -13.923 -11.589 -8.654 281 1HA GLY 36 HA2 GLY 36 -14.890 -10.643 -6.020 282 2HA GLY 36 HA1 GLY 36 -13.237 -11.123 -6.365 283 H PHE 37 HN PHE 37 -14.677 -8.539 -5.486 284 HA PHE 37 HA PHE 37 -13.602 -6.670 -7.525 285 1HB PHE 37 HB2 PHE 37 -15.597 -6.260 -5.287 286 2HB PHE 37 HB1 PHE 37 -14.973 -4.968 -6.308 287 HD1 PHE 37 HD1 PHE 37 -15.483 -4.939 -8.742 288 HD2 PHE 37 HD2 PHE 37 -17.279 -7.753 -6.073 289 HE1 PHE 37 HE1 PHE 37 -17.231 -5.415 -10.411 290 HE2 PHE 37 HE2 PHE 37 -19.024 -8.219 -7.744 291 HZ PHE 37 HZ PHE 37 -18.961 -7.082 -9.948 292 H TYR 38 HN TYR 38 -11.601 -6.007 -7.101 293 HA TYR 38 HA TYR 38 -10.774 -5.497 -4.292 294 1HB TYR 38 HB2 TYR 38 -9.156 -6.511 -6.636 295 2HB TYR 38 HB1 TYR 38 -8.466 -6.026 -5.091 296 HD1 TYR 38 HD1 TYR 38 -8.815 -7.369 -3.076 297 HD2 TYR 38 HD2 TYR 38 -10.415 -8.553 -6.845 298 HE1 TYR 38 HE1 TYR 38 -9.216 -9.633 -2.196 299 HE2 TYR 38 HE2 TYR 38 -10.807 -10.819 -5.975 300 HH TYR 38 HH TYR 38 -11.008 -11.591 -2.912 301 H LYS 39 HN LYS 39 -8.697 -4.050 -4.346 302 HA LYS 39 HA LYS 39 -9.473 -1.505 -5.485 303 1HB LYS 39 HB2 LYS 39 -8.447 -1.821 -3.207 304 2HB LYS 39 HB1 LYS 39 -6.939 -2.229 -4.012 305 1HG LYS 39 HG2 LYS 39 -6.747 -0.044 -4.978 306 2HG LYS 39 HG1 LYS 39 -8.377 0.385 -4.463 307 1HD LYS 39 HD2 LYS 39 -6.612 1.391 -3.026 308 2HD LYS 39 HD1 LYS 39 -7.716 0.347 -2.134 309 1HE LYS 39 HE2 LYS 39 -5.396 -0.039 -1.446 310 2HE LYS 39 HE1 LYS 39 -6.074 -1.476 -2.193 311 1HZ LYS 39 HZ3 LYS 39 -4.538 0.446 -3.821 312 2HZ LYS 39 HZ2 LYS 39 -3.727 -0.700 -2.854 313 3HZ LYS 39 HZ1 LYS 39 -4.791 -1.214 -4.083 314 H ASP 40 HN ASP 40 -6.861 -3.837 -5.974 315 HA ASP 40 HA ASP 40 -6.458 -3.105 -8.709 316 1HB ASP 40 HB2 ASP 40 -4.216 -2.235 -8.578 317 2HB ASP 40 HB1 ASP 40 -5.230 -1.253 -7.529 318 H ALA 41 HN ALA 41 -4.060 -4.171 -9.266 319 HA ALA 41 HA ALA 41 -4.447 -6.955 -9.123 320 1HB ALA 41 HB3 ALA 41 -3.109 -5.899 -10.872 321 2HB ALA 41 HB2 ALA 41 -1.894 -5.428 -9.685 322 3HB ALA 41 HB1 ALA 41 -2.167 -7.136 -10.036 323 H LYS 42 HN LYS 42 -2.368 -4.835 -7.139 324 HA LYS 42 HA LYS 42 -1.063 -6.907 -5.687 325 1HB LYS 42 HB2 LYS 42 -1.593 -4.030 -4.915 326 2HB LYS 42 HB1 LYS 42 -0.521 -5.119 -4.047 327 1HG LYS 42 HG2 LYS 42 0.148 -5.166 -6.842 328 2HG LYS 42 HG1 LYS 42 0.077 -3.495 -6.302 329 1HD LYS 42 HD2 LYS 42 1.514 -5.332 -4.475 330 2HD LYS 42 HD1 LYS 42 2.261 -5.114 -6.053 331 1HE LYS 42 HE2 LYS 42 3.107 -3.505 -4.375 332 2HE LYS 42 HE1 LYS 42 2.328 -2.710 -5.738 333 1HZ LYS 42 HZ3 LYS 42 1.080 -3.202 -3.092 334 2HZ LYS 42 HZ2 LYS 42 1.686 -1.712 -3.657 335 3HZ LYS 42 HZ1 LYS 42 0.337 -2.430 -4.411 336 H SER 43 HN SER 43 -3.968 -4.983 -5.011 337 HA SER 43 HA SER 43 -4.559 -6.132 -2.477 338 1HB SER 43 HB2 SER 43 -6.473 -4.867 -4.441 339 2HB SER 43 HB1 SER 43 -6.708 -5.053 -2.703 340 HG SER 43 HG SER 43 -4.919 -3.338 -4.095 341 H ALA 44 HN ALA 44 -5.270 -7.088 -5.776 342 HA ALA 44 HA ALA 44 -7.255 -9.075 -5.134 343 1HB ALA 44 HB1 ALA 44 -5.644 -8.452 -7.607 344 2HB ALA 44 HB3 ALA 44 -6.760 -9.816 -7.527 345 3HB ALA 44 HB2 ALA 44 -7.363 -8.169 -7.320 346 H ALA 45 HN ALA 45 -3.778 -9.120 -5.817 347 HA ALA 45 HA ALA 45 -3.492 -11.975 -5.688 348 1HB ALA 45 HB3 ALA 45 -1.425 -9.771 -5.455 349 2HB ALA 45 HB2 ALA 45 -1.069 -11.488 -5.662 350 3HB ALA 45 HB1 ALA 45 -1.899 -10.603 -6.940 351 H SER 46 HN SER 46 -2.978 -9.311 -3.406 352 HA SER 46 HA SER 46 -1.938 -10.932 -1.283 353 1HB SER 46 HB2 SER 46 -1.640 -8.406 -1.652 354 2HB SER 46 HB1 SER 46 -3.244 -8.228 -0.948 355 HG SER 46 HG SER 46 -2.499 -9.105 0.965 356 H GLY 47 HN GLY 47 -5.154 -9.768 -2.178 357 1HA GLY 47 HA2 GLY 47 -7.195 -10.798 -1.662 358 2HA GLY 47 HA1 GLY 47 -6.397 -11.728 -0.396 359 H ILE 48 HN ILE 48 -6.947 -8.294 -1.176 360 HA ILE 48 HA ILE 48 -7.609 -7.766 1.662 361 HB ILE 48 HB ILE 48 -6.719 -5.834 -0.498 362 1HG1 ILE 48 HG12 ILE 48 -5.172 -6.855 1.894 363 2HG1 ILE 48 HG11 ILE 48 -4.962 -7.468 0.260 364 1HG2 ILE 48 HG21 ILE 48 -7.271 -5.463 2.453 365 2HG2 ILE 48 HG23 ILE 48 -6.375 -4.300 1.473 366 3HG2 ILE 48 HG22 ILE 48 -8.058 -4.658 1.094 367 1HD1 ILE 48 HD12 ILE 48 -4.510 -5.018 -0.400 368 2HD1 ILE 48 HD11 ILE 48 -4.297 -4.737 1.331 369 3HD1 ILE 48 HD13 ILE 48 -3.251 -5.877 0.484 370 HA PRO 49 HA PRO 49 -11.791 -7.306 0.067 371 1HB PRO 49 HB2 PRO 49 -12.981 -6.579 2.406 372 2HB PRO 49 HB1 PRO 49 -12.538 -8.243 2.004 373 1HG PRO 49 HG2 PRO 49 -11.141 -6.282 3.757 374 2HG PRO 49 HG1 PRO 49 -11.361 -8.026 3.968 375 1HD PRO 49 HD2 PRO 49 -9.040 -6.884 3.070 376 2HD PRO 49 HD1 PRO 49 -9.544 -8.539 2.672 377 H TYR 50 HN TYR 50 -11.907 -5.568 -1.260 378 HA TYR 50 HA TYR 50 -11.634 -2.821 -0.239 379 1HB TYR 50 HB2 TYR 50 -10.473 -3.590 -2.324 380 2HB TYR 50 HB1 TYR 50 -12.050 -3.789 -3.075 381 HD1 TYR 50 HD1 TYR 50 -10.096 -1.184 -1.218 382 HD2 TYR 50 HD2 TYR 50 -12.854 -2.055 -4.362 383 HE1 TYR 50 HE1 TYR 50 -10.076 1.185 -1.896 384 HE2 TYR 50 HE2 TYR 50 -12.824 0.310 -5.042 385 HH TYR 50 HH TYR 50 -11.802 2.286 -4.792 386 H HIS 51 HN HIS 51 -14.082 -4.896 -0.154 387 HA HIS 51 HA HIS 51 -16.140 -2.843 -0.276 388 1HB HIS 51 HB2 HIS 51 -15.880 -4.986 -2.337 389 2HB HIS 51 HB1 HIS 51 -17.492 -4.724 -1.692 390 HD1 HIS 51 HD1 HIS 51 -18.433 -2.230 -1.970 391 HD2 HIS 51 HD2 HIS 51 -15.123 -3.176 -4.269 392 HE1 HIS 51 HE1 HIS 51 -18.384 -0.498 -3.775 393 H SER 52 HN SER 52 -18.318 -3.884 0.375 394 HA SER 52 HA SER 52 -17.981 -5.344 2.818 395 1HB SER 52 HB2 SER 52 -20.625 -5.545 2.406 396 2HB SER 52 HB1 SER 52 -19.875 -4.052 2.961 397 HG SER 52 HG SER 52 -21.357 -4.307 0.835 398 H GLU 53 HN GLU 53 -19.656 -6.140 -0.199 399 HA GLU 53 HA GLU 53 -19.289 -9.034 0.296 400 1HB GLU 53 HB2 GLU 53 -21.120 -7.475 -1.544 401 2HB GLU 53 HB1 GLU 53 -20.900 -9.220 -1.664 402 1HG GLU 53 HG2 GLU 53 -21.659 -9.468 0.674 403 2HG GLU 53 HG1 GLU 53 -21.911 -7.725 0.772 404 H VAL 54 HN VAL 54 -17.121 -9.182 -0.299 405 HA VAL 54 HA VAL 54 -16.037 -8.026 -2.664 406 HB VAL 54 HB VAL 54 -14.653 -10.383 -1.501 407 1HG1 VAL 54 HG12 VAL 54 -13.900 -7.595 -2.349 408 2HG1 VAL 54 HG11 VAL 54 -12.770 -8.678 -1.533 409 3HG1 VAL 54 HG13 VAL 54 -13.444 -9.131 -3.094 410 1HG2 VAL 54 HG21 VAL 54 -15.173 -7.872 0.102 411 2HG2 VAL 54 HG23 VAL 54 -15.572 -9.537 0.551 412 3HG2 VAL 54 HG22 VAL 54 -13.888 -9.027 0.457 413 HA PRO 55 HA PRO 55 -16.515 -12.310 -4.682 414 1HB PRO 55 HB2 PRO 55 -17.519 -14.407 -3.281 415 2HB PRO 55 HB1 PRO 55 -15.822 -13.921 -3.231 416 1HG PRO 55 HG2 PRO 55 -17.889 -13.680 -1.171 417 2HG PRO 55 HG1 PRO 55 -16.131 -13.587 -1.014 418 1HD PRO 55 HD2 PRO 55 -18.052 -11.424 -1.133 419 2HD PRO 55 HD1 PRO 55 -16.308 -11.343 -0.829 420 H VAL 56 HN VAL 56 -18.076 -11.989 -6.157 421 HA VAL 56 HA VAL 56 -20.932 -12.223 -5.358 422 HB VAL 56 HB VAL 56 -19.627 -10.648 -7.586 423 1HG1 VAL 56 HG12 VAL 56 -22.493 -11.382 -7.113 424 2HG1 VAL 56 HG11 VAL 56 -22.087 -9.839 -7.871 425 3HG1 VAL 56 HG13 VAL 56 -21.581 -11.352 -8.623 426 1HG2 VAL 56 HG22 VAL 56 -21.111 -9.870 -5.080 427 2HG2 VAL 56 HG21 VAL 56 -19.453 -9.460 -5.537 428 3HG2 VAL 56 HG23 VAL 56 -20.813 -8.749 -6.412 429 H SER 57 HN SER 57 -22.191 -13.685 -6.426 430 HA SER 57 HA SER 57 -20.962 -15.844 -7.786 431 1HB SER 57 HB2 SER 57 -23.841 -15.115 -7.382 432 2HB SER 57 HB1 SER 57 -23.272 -16.652 -7.991 433 HG SER 57 HG SER 57 -21.907 -16.424 -5.849 434 H LEU 58 HN LEU 58 -20.539 -16.098 -9.857 435 HA LEU 58 HA LEU 58 -21.889 -14.404 -11.886 436 1HB LEU 58 HB2 LEU 58 -19.298 -14.282 -11.455 437 2HB LEU 58 HB1 LEU 58 -19.258 -15.800 -12.343 438 HG LEU 58 HG LEU 58 -20.582 -14.580 -14.167 439 1HD1 LEU 58 HD12 LEU 58 -20.663 -12.548 -12.265 440 2HD1 LEU 58 HD11 LEU 58 -19.488 -11.989 -13.457 441 3HD1 LEU 58 HD13 LEU 58 -21.120 -12.422 -13.963 442 1HD2 LEU 58 HD22 LEU 58 -17.733 -13.869 -13.486 443 2HD2 LEU 58 HD21 LEU 58 -18.312 -15.134 -14.575 444 3HD2 LEU 58 HD23 LEU 58 -18.490 -13.436 -15.022 445 H LYS 59 HN LYS 59 -23.026 -16.762 -10.812 446 HA LYS 59 HA LYS 59 -22.601 -18.961 -12.665 447 1HB LYS 59 HB2 LYS 59 -23.083 -19.292 -10.239 448 2HB LYS 59 HB1 LYS 59 -24.690 -18.622 -10.499 449 1HG LYS 59 HG2 LYS 59 -25.172 -20.436 -12.101 450 2HG LYS 59 HG1 LYS 59 -23.571 -21.111 -11.807 451 1HD LYS 59 HD2 LYS 59 -24.152 -21.933 -9.752 452 2HD LYS 59 HD1 LYS 59 -25.261 -20.607 -9.415 453 1HE LYS 59 HE2 LYS 59 -26.432 -22.771 -9.685 454 2HE LYS 59 HE1 LYS 59 -26.943 -21.582 -10.877 455 1HZ LYS 59 HZ2 LYS 59 -24.741 -23.354 -11.612 456 2HZ LYS 59 HZ1 LYS 59 -26.304 -24.039 -11.525 457 3HZ LYS 59 HZ3 LYS 59 -26.012 -22.726 -12.569 458 H GLU 60 HN GLU 60 -23.358 -18.618 -14.677 459 HA GLU 60 HA GLU 60 -24.788 -18.289 -16.425 460 1HB GLU 60 HB2 GLU 60 -26.939 -18.572 -14.311 461 2HB GLU 60 HB1 GLU 60 -27.215 -18.590 -16.047 462 1HG GLU 60 HG2 GLU 60 -26.368 -20.701 -16.315 463 2HG GLU 60 HG1 GLU 60 -25.189 -20.515 -15.020 464 H ALA 61 HN ALA 61 -23.627 -16.115 -15.951 465 HA ALA 61 HA ALA 61 -25.509 -13.938 -15.323 466 1HB ALA 61 HB2 ALA 61 -23.152 -14.030 -14.363 467 2HB ALA 61 HB1 ALA 61 -22.570 -13.679 -15.995 468 3HB ALA 61 HB3 ALA 61 -23.603 -12.523 -15.157 469 H ILE 62 HN ILE 62 -26.198 -12.457 -16.802 470 HA ILE 62 HA ILE 62 -25.645 -13.032 -19.646 471 HB ILE 62 HB ILE 62 -27.838 -11.337 -18.437 472 1HG1 ILE 62 HG12 ILE 62 -28.049 -14.150 -19.540 473 2HG1 ILE 62 HG11 ILE 62 -27.995 -13.766 -17.821 474 1HG2 ILE 62 HG22 ILE 62 -26.923 -11.859 -21.167 475 2HG2 ILE 62 HG21 ILE 62 -28.639 -12.213 -20.936 476 3HG2 ILE 62 HG23 ILE 62 -28.013 -10.610 -20.554 477 1HD1 ILE 62 HD11 ILE 62 -30.046 -12.487 -19.611 478 2HD1 ILE 62 HD13 ILE 62 -30.306 -14.098 -18.939 479 3HD1 ILE 62 HD12 ILE 62 -30.089 -12.719 -17.858 480 H CYS 63 HN CYS 63 -24.529 -11.643 -20.845 481 HA CYS 63 HA CYS 63 -23.901 -8.966 -19.741 482 1HB CYS 63 HB2 CYS 63 -22.147 -11.075 -20.438 483 2HB CYS 63 HB1 CYS 63 -21.967 -9.851 -21.677 484 HG CYS 63 HG CYS 63 -21.759 -8.298 -19.268 485 H GLU 64 HN GLU 64 -24.557 -7.294 -20.929 486 HA GLU 64 HA GLU 64 -25.176 -7.679 -23.809 487 1HB GLU 64 HB2 GLU 64 -26.698 -5.761 -22.058 488 2HB GLU 64 HB1 GLU 64 -27.157 -6.434 -23.619 489 1HG GLU 64 HG2 GLU 64 -27.520 -8.625 -22.600 490 2HG GLU 64 HG1 GLU 64 -26.983 -8.011 -21.036 491 H VAL 65 HN VAL 65 -23.836 -6.445 -25.004 492 HA VAL 65 HA VAL 65 -22.320 -4.281 -23.883 493 HB VAL 65 HB VAL 65 -21.175 -5.465 -25.500 494 1HG1 VAL 65 HG21 VAL 65 -23.728 -5.535 -27.015 495 2HG1 VAL 65 HG23 VAL 65 -22.211 -5.641 -27.907 496 3HG1 VAL 65 HG22 VAL 65 -22.570 -6.828 -26.654 497 1HG2 VAL 65 HG12 VAL 65 -21.032 -2.978 -25.816 498 2HG2 VAL 65 HG11 VAL 65 -20.597 -3.947 -27.222 499 3HG2 VAL 65 HG13 VAL 65 -22.167 -3.156 -27.154 500 H ALA 66 HN ALA 66 -22.610 -2.156 -23.987 501 HA ALA 66 HA ALA 66 -24.858 -1.010 -25.533 502 1HB ALA 66 HB3 ALA 66 -25.479 -1.331 -23.125 503 2HB ALA 66 HB2 ALA 66 -24.143 -0.271 -22.682 504 3HB ALA 66 HB1 ALA 66 -25.486 0.358 -23.638 505 H LEU 67 HN LEU 67 -23.487 -0.156 -27.082 506 HA LEU 67 HA LEU 67 -21.127 1.376 -26.378 507 1HB LEU 67 HB2 LEU 67 -22.214 0.177 -28.744 508 2HB LEU 67 HB1 LEU 67 -21.901 1.876 -29.079 509 HG LEU 67 HG LEU 67 -19.840 0.173 -27.706 510 1HD1 LEU 67 HD11 LEU 67 -20.585 0.182 -30.590 511 2HD1 LEU 67 HD13 LEU 67 -18.882 0.076 -30.149 512 3HD1 LEU 67 HD12 LEU 67 -20.016 -1.145 -29.572 513 1HD2 LEU 67 HD21 LEU 67 -19.670 2.688 -27.815 514 2HD2 LEU 67 HD23 LEU 67 -18.297 1.810 -28.485 515 3HD2 LEU 67 HD22 LEU 67 -19.499 2.522 -29.562 516 H ASP 68 HN ASP 68 -24.473 2.080 -27.215 517 HA ASP 68 HA ASP 68 -24.088 4.900 -27.606 518 1HB ASP 68 HB2 ASP 68 -26.373 5.052 -28.015 519 2HB ASP 68 HB1 ASP 68 -25.997 3.409 -28.516 520 H TYR 69 HN TYR 69 -24.140 3.038 -24.773 521 HA TYR 69 HA TYR 69 -25.448 4.843 -23.006 522 1HB TYR 69 HB2 TYR 69 -24.703 2.322 -22.656 523 2HB TYR 69 HB1 TYR 69 -23.256 3.081 -22.006 524 HD1 TYR 69 HD1 TYR 69 -26.917 2.739 -21.589 525 HD2 TYR 69 HD2 TYR 69 -23.280 4.213 -19.896 526 HE1 TYR 69 HE1 TYR 69 -28.056 3.084 -19.431 527 HE2 TYR 69 HE2 TYR 69 -24.424 4.539 -17.743 528 HH TYR 69 HH TYR 69 -26.303 4.380 -16.609 529 H LYS 70 HN LYS 70 -22.262 4.577 -24.206 530 HA LYS 70 HA LYS 70 -21.550 7.258 -23.349 531 1HB LYS 70 HB2 LYS 70 -19.897 4.842 -22.542 532 2HB LYS 70 HB1 LYS 70 -19.346 6.511 -22.456 533 1HG LYS 70 HG2 LYS 70 -21.296 7.001 -20.946 534 2HG LYS 70 HG1 LYS 70 -21.636 5.279 -20.936 535 1HD LYS 70 HD2 LYS 70 -20.396 5.748 -18.953 536 2HD LYS 70 HD1 LYS 70 -19.341 4.879 -20.055 537 1HE LYS 70 HE2 LYS 70 -18.193 6.761 -18.924 538 2HE LYS 70 HE1 LYS 70 -18.212 6.943 -20.672 539 1HZ LYS 70 HZ1 LYS 70 -20.360 8.162 -19.098 540 2HZ LYS 70 HZ3 LYS 70 -18.836 8.911 -19.116 541 3HZ LYS 70 HZ2 LYS 70 -19.683 8.668 -20.579 542 H LYS 71 HN LYS 71 -21.323 7.992 -25.340 543 HA LYS 71 HA LYS 71 -20.771 6.756 -27.701 544 1HB LYS 71 HB2 LYS 71 -19.924 9.549 -26.918 545 2HB LYS 71 HB1 LYS 71 -19.984 8.935 -28.568 546 1HG LYS 71 HG2 LYS 71 -22.468 8.535 -27.031 547 2HG LYS 71 HG1 LYS 71 -22.047 10.219 -27.326 548 1HD LYS 71 HD2 LYS 71 -22.131 9.946 -29.665 549 2HD LYS 71 HD1 LYS 71 -22.004 8.193 -29.558 550 1HE LYS 71 HE2 LYS 71 -24.307 9.157 -30.137 551 2HE LYS 71 HE1 LYS 71 -24.241 7.956 -28.853 552 1HZ LYS 71 HZ1 LYS 71 -24.239 10.884 -28.364 553 2HZ LYS 71 HZ3 LYS 71 -25.640 9.922 -28.358 554 3HZ LYS 71 HZ2 LYS 71 -24.417 9.633 -27.214 555 H LYS 72 HN LYS 72 -19.229 5.546 -28.387 556 HA LYS 72 HA LYS 72 -17.215 4.529 -28.745 557 1HB LYS 72 HB2 LYS 72 -17.080 7.007 -29.753 558 2HB LYS 72 HB1 LYS 72 -15.742 7.108 -28.610 559 1HG LYS 72 HG2 LYS 72 -14.963 4.862 -29.633 560 2HG LYS 72 HG1 LYS 72 -16.098 5.217 -30.933 561 1HD LYS 72 HD2 LYS 72 -14.921 7.224 -31.520 562 2HD LYS 72 HD1 LYS 72 -13.929 7.140 -30.065 563 1HE LYS 72 HE2 LYS 72 -12.798 6.393 -32.208 564 2HE LYS 72 HE1 LYS 72 -12.726 5.263 -30.861 565 1HZ LYS 72 HZ2 LYS 72 -14.804 5.098 -32.974 566 2HZ LYS 72 HZ1 LYS 72 -13.299 4.303 -33.096 567 3HZ LYS 72 HZ3 LYS 72 -14.360 3.910 -31.830 568 H LYS 73 HN LYS 73 -17.899 4.559 -26.060 569 HA LYS 73 HA LYS 73 -15.227 4.528 -24.772 570 1HB LYS 73 HB2 LYS 73 -17.858 5.478 -23.711 571 2HB LYS 73 HB1 LYS 73 -16.682 4.778 -22.605 572 1HG LYS 73 HG2 LYS 73 -15.327 6.581 -22.703 573 2HG LYS 73 HG1 LYS 73 -15.490 6.718 -24.451 574 1HD LYS 73 HD2 LYS 73 -17.845 7.675 -23.939 575 2HD LYS 73 HD1 LYS 73 -17.239 7.887 -22.302 576 1HE LYS 73 HE2 LYS 73 -16.840 9.953 -23.368 577 2HE LYS 73 HE1 LYS 73 -15.276 9.144 -23.338 578 1HZ LYS 73 HZ3 LYS 73 -16.764 8.509 -25.690 579 2HZ LYS 73 HZ2 LYS 73 -16.545 10.190 -25.533 580 3HZ LYS 73 HZ1 LYS 73 -15.194 9.153 -25.551 581 H HIS 74 HN HIS 74 -18.071 2.821 -25.609 582 HA HIS 74 HA HIS 74 -18.676 0.635 -25.505 583 1HB HIS 74 HB2 HIS 74 -15.840 0.095 -24.594 584 2HB HIS 74 HB1 HIS 74 -16.957 -1.048 -25.321 585 HD1 HIS 74 HD1 HIS 74 -14.741 1.844 -26.174 586 HD2 HIS 74 HD2 HIS 74 -17.138 -0.908 -28.141 587 HE1 HIS 74 HE1 HIS 74 -14.177 2.106 -28.604 588 H VAL 75 HN VAL 75 -20.182 0.783 -23.854 589 HA VAL 75 HA VAL 75 -19.292 -0.094 -21.160 590 HB VAL 75 HB VAL 75 -21.684 1.512 -22.080 591 1HG1 VAL 75 HG11 VAL 75 -21.263 0.112 -19.448 592 2HG1 VAL 75 HG13 VAL 75 -22.286 1.536 -19.589 593 3HG1 VAL 75 HG12 VAL 75 -22.683 0.078 -20.495 594 1HG2 VAL 75 HG21 VAL 75 -19.579 2.732 -21.665 595 2HG2 VAL 75 HG23 VAL 75 -20.858 3.190 -20.544 596 3HG2 VAL 75 HG22 VAL 75 -19.571 2.111 -20.011 597 H PHE 76 HN PHE 76 -20.654 -1.768 -20.169 598 HA PHE 76 HA PHE 76 -22.561 -3.134 -21.893 599 1HB PHE 76 HB2 PHE 76 -21.466 -5.303 -21.774 600 2HB PHE 76 HB1 PHE 76 -20.455 -4.138 -22.609 601 HD1 PHE 76 HD1 PHE 76 -18.401 -3.276 -21.555 602 HD2 PHE 76 HD2 PHE 76 -20.776 -6.299 -19.687 603 HE1 PHE 76 HE1 PHE 76 -16.541 -3.794 -20.023 604 HE2 PHE 76 HE2 PHE 76 -18.910 -6.813 -18.157 605 HZ PHE 76 HZ PHE 76 -16.767 -5.650 -18.391 606 H LYS 77 HN LYS 77 -24.064 -4.232 -20.802 607 HA LYS 77 HA LYS 77 -24.163 -3.837 -17.921 608 1HB LYS 77 HB2 LYS 77 -26.232 -5.279 -19.566 609 2HB LYS 77 HB1 LYS 77 -26.440 -4.451 -18.031 610 1HG LYS 77 HG2 LYS 77 -25.613 -2.365 -19.528 611 2HG LYS 77 HG1 LYS 77 -26.367 -3.339 -20.787 612 1HD LYS 77 HD2 LYS 77 -27.798 -2.764 -18.195 613 2HD LYS 77 HD1 LYS 77 -27.820 -1.600 -19.513 614 1HE LYS 77 HE2 LYS 77 -29.665 -2.723 -20.167 615 2HE LYS 77 HE1 LYS 77 -28.513 -3.863 -20.851 616 1HZ LYS 77 HZ1 LYS 77 -29.139 -4.305 -18.054 617 2HZ LYS 77 HZ3 LYS 77 -30.455 -4.514 -19.111 618 3HZ LYS 77 HZ2 LYS 77 -29.032 -5.419 -19.341 619 H LEU 78 HN LEU 78 -24.438 -5.472 -16.444 620 HA LEU 78 HA LEU 78 -23.921 -8.246 -17.279 621 1HB LEU 78 HB2 LEU 78 -21.786 -7.146 -16.484 622 2HB LEU 78 HB1 LEU 78 -22.543 -6.917 -14.924 623 HG LEU 78 HG LEU 78 -20.998 -9.017 -15.527 624 1HD1 LEU 78 HD21 LEU 78 -22.035 -8.371 -13.349 625 2HD1 LEU 78 HD23 LEU 78 -23.450 -9.315 -13.805 626 3HD1 LEU 78 HD22 LEU 78 -21.889 -10.112 -13.607 627 1HD2 LEU 78 HD12 LEU 78 -22.525 -9.819 -17.320 628 2HD2 LEU 78 HD11 LEU 78 -22.273 -10.996 -16.033 629 3HD2 LEU 78 HD13 LEU 78 -23.770 -10.075 -16.096 630 H ARG 79 HN ARG 79 -25.896 -8.957 -16.871 631 HA ARG 79 HA ARG 79 -27.184 -8.375 -14.267 632 1HB ARG 79 HB2 ARG 79 -28.360 -7.550 -16.262 633 2HB ARG 79 HB1 ARG 79 -28.370 -9.176 -16.934 634 1HG ARG 79 HG2 ARG 79 -29.883 -9.959 -15.287 635 2HG ARG 79 HG1 ARG 79 -29.652 -8.532 -14.279 636 1HD ARG 79 HD2 ARG 79 -30.631 -7.172 -16.189 637 2HD ARG 79 HD1 ARG 79 -31.062 -8.704 -16.955 638 HE ARG 79 HE ARG 79 -32.129 -8.918 -14.440 639 1HH1 ARG 79 HH21 ARG 79 -32.217 -5.774 -14.991 640 2HH1 ARG 79 HH22 ARG 79 -33.875 -5.628 -15.504 641 1HH2 ARG 79 HH11 ARG 79 -34.309 -9.073 -16.066 642 2HH2 ARG 79 HH12 ARG 79 -35.080 -7.503 -16.082 643 H LEU 80 HN LEU 80 -27.375 -10.012 -12.881 644 HA LEU 80 HA LEU 80 -26.616 -12.716 -13.618 645 1HB LEU 80 HB2 LEU 80 -27.756 -11.675 -11.017 646 2HB LEU 80 HB1 LEU 80 -26.960 -13.221 -11.258 647 HG LEU 80 HG LEU 80 -25.643 -10.535 -11.649 648 1HD1 LEU 80 HD13 LEU 80 -25.639 -12.453 -9.331 649 2HD1 LEU 80 HD12 LEU 80 -24.348 -11.277 -9.580 650 3HD1 LEU 80 HD11 LEU 80 -26.003 -10.725 -9.329 651 1HD2 LEU 80 HD22 LEU 80 -24.608 -13.363 -11.776 652 2HD2 LEU 80 HD21 LEU 80 -24.544 -12.118 -13.029 653 3HD2 LEU 80 HD23 LEU 80 -23.554 -11.959 -11.578 654 H SER 81 HN SER 81 -28.043 -14.582 -13.142 655 HA SER 81 HA SER 81 -30.465 -14.492 -14.546 656 1HB SER 81 HB2 SER 81 -30.900 -16.723 -13.258 657 2HB SER 81 HB1 SER 81 -29.564 -16.617 -14.398 658 HG SER 81 HG SER 81 -29.522 -16.897 -11.630 659 H ASP 82 HN ASP 82 -29.905 -14.297 -11.060 660 HA ASP 82 HA ASP 82 -32.400 -12.891 -10.614 661 1HB ASP 82 HB2 ASP 82 -33.128 -15.294 -10.674 662 2HB ASP 82 HB1 ASP 82 -32.033 -15.619 -9.334 663 H GLY 83 HN GLY 83 -30.278 -11.613 -10.141 664 1HA GLY 83 HA2 GLY 83 -29.785 -11.755 -7.247 665 2HA GLY 83 HA1 GLY 83 -28.397 -11.820 -8.331 666 H ASN 84 HN ASN 84 -27.779 -9.969 -9.483 667 HA ASN 84 HA ASN 84 -29.168 -7.416 -8.972 668 1HB ASN 84 HB2 ASN 84 -26.212 -7.960 -8.565 669 2HB ASN 84 HB1 ASN 84 -26.963 -6.373 -8.468 670 1HD2 ASN 84 HD22 ASN 84 -26.534 -8.174 -5.114 671 2HD2 ASN 84 HD21 ASN 84 -25.510 -8.135 -6.510 672 H GLU 85 HN GLU 85 -28.200 -5.683 -10.427 673 HA GLU 85 HA GLU 85 -27.010 -6.758 -12.897 674 1HB GLU 85 HB2 GLU 85 -29.072 -6.467 -13.863 675 2HB GLU 85 HB1 GLU 85 -29.651 -5.497 -12.516 676 1HG GLU 85 HG2 GLU 85 -28.806 -3.510 -13.413 677 2HG GLU 85 HG1 GLU 85 -27.736 -4.353 -14.533 678 H TYR 86 HN TYR 86 -25.335 -5.581 -13.583 679 HA TYR 86 HA TYR 86 -24.901 -2.853 -12.488 680 1HB TYR 86 HB2 TYR 86 -22.668 -4.835 -12.920 681 2HB TYR 86 HB1 TYR 86 -22.616 -3.315 -12.048 682 HD1 TYR 86 HD2 TYR 86 -24.265 -6.647 -11.927 683 HD2 TYR 86 HD1 TYR 86 -22.683 -3.356 -9.706 684 HE1 TYR 86 HE2 TYR 86 -24.696 -7.853 -9.825 685 HE2 TYR 86 HE1 TYR 86 -23.144 -4.558 -7.612 686 HH TYR 86 HH TYR 86 -24.138 -7.916 -7.572 687 H LEU 87 HN LEU 87 -23.476 -1.524 -13.763 688 HA LEU 87 HA LEU 87 -23.302 -2.282 -16.631 689 1HB LEU 87 HB2 LEU 87 -23.157 0.525 -15.498 690 2HB LEU 87 HB1 LEU 87 -23.241 0.062 -17.190 691 HG LEU 87 HG LEU 87 -25.390 0.022 -15.112 692 1HD1 LEU 87 HD11 LEU 87 -25.068 2.039 -16.479 693 2HD1 LEU 87 HD13 LEU 87 -25.304 1.081 -17.943 694 3HD1 LEU 87 HD12 LEU 87 -26.627 1.279 -16.790 695 1HD2 LEU 87 HD21 LEU 87 -25.162 -1.738 -17.495 696 2HD2 LEU 87 HD23 LEU 87 -25.934 -2.039 -15.938 697 3HD2 LEU 87 HD22 LEU 87 -26.735 -1.031 -17.138 698 H PHE 88 HN PHE 88 -21.288 -2.327 -17.526 699 HA PHE 88 HA PHE 88 -19.007 -1.496 -15.829 700 1HB PHE 88 HB2 PHE 88 -19.454 -3.997 -17.429 701 2HB PHE 88 HB1 PHE 88 -17.822 -3.427 -17.099 702 HD1 PHE 88 HD1 PHE 88 -17.155 -3.037 -14.637 703 HD2 PHE 88 HD2 PHE 88 -20.613 -5.228 -15.848 704 HE1 PHE 88 HE1 PHE 88 -17.263 -4.101 -12.419 705 HE2 PHE 88 HE2 PHE 88 -20.729 -6.279 -13.631 706 HZ PHE 88 HZ PHE 88 -18.943 -5.699 -11.899 707 H GLN 89 HN GLN 89 -17.506 -0.261 -16.745 708 HA GLN 89 HA GLN 89 -17.735 0.375 -19.638 709 1HB GLN 89 HB2 GLN 89 -18.281 2.220 -18.040 710 2HB GLN 89 HB1 GLN 89 -16.655 2.104 -17.403 711 1HG GLN 89 HG2 GLN 89 -16.346 2.338 -20.200 712 2HG GLN 89 HG1 GLN 89 -17.605 3.489 -19.765 713 1HE2 GLN 89 HE22 GLN 89 -15.447 5.384 -17.579 714 2HE2 GLN 89 HE21 GLN 89 -17.067 4.754 -17.695 715 H ALA 90 HN ALA 90 -16.079 -0.225 -20.861 716 HA ALA 90 HA ALA 90 -13.485 -0.943 -19.625 717 1HB ALA 90 HB2 ALA 90 -14.899 -2.551 -21.134 718 2HB ALA 90 HB1 ALA 90 -14.252 -1.591 -22.466 719 3HB ALA 90 HB3 ALA 90 -13.158 -2.450 -21.374 720 H LYS 91 HN LYS 91 -11.529 -0.431 -21.025 721 HA LYS 91 HA LYS 91 -11.732 2.360 -21.937 722 1HB LYS 91 HB2 LYS 91 -9.175 2.144 -21.995 723 2HB LYS 91 HB1 LYS 91 -9.972 2.150 -20.428 724 1HG LYS 91 HG2 LYS 91 -9.657 -0.542 -21.565 725 2HG LYS 91 HG1 LYS 91 -8.133 0.287 -21.275 726 1HD LYS 91 HD2 LYS 91 -8.924 0.791 -18.949 727 2HD LYS 91 HD1 LYS 91 -10.327 -0.225 -19.264 728 1HE LYS 91 HE2 LYS 91 -8.339 -1.923 -19.993 729 2HE LYS 91 HE1 LYS 91 -7.504 -0.975 -18.767 730 1HZ LYS 91 HZ1 LYS 91 -9.722 -1.453 -17.463 731 2HZ LYS 91 HZ3 LYS 91 -9.759 -2.810 -18.482 732 3HZ LYS 91 HZ2 LYS 91 -8.422 -2.549 -17.454 733 H ASP 92 HN ASP 92 -11.406 -0.816 -23.273 734 HA ASP 92 HA ASP 92 -11.027 0.370 -25.952 735 1HB ASP 92 HB2 ASP 92 -8.870 -0.648 -24.986 736 2HB ASP 92 HB1 ASP 92 -9.661 -2.213 -25.171 737 H ASP 93 HN ASP 93 -11.721 -0.951 -27.682 738 HA ASP 93 HA ASP 93 -14.267 -2.163 -27.367 739 1HB ASP 93 HB2 ASP 93 -13.328 -0.982 -29.416 740 2HB ASP 93 HB1 ASP 93 -12.369 -2.424 -29.721 741 H GLU 94 HN GLU 94 -11.015 -3.457 -27.957 742 HA GLU 94 HA GLU 94 -11.668 -6.187 -28.201 743 1HB GLU 94 HB2 GLU 94 -9.138 -4.847 -27.230 744 2HB GLU 94 HB1 GLU 94 -9.273 -6.564 -27.600 745 1HG GLU 94 HG2 GLU 94 -10.276 -4.846 -29.763 746 2HG GLU 94 HG1 GLU 94 -8.579 -4.557 -29.394 747 H GLU 95 HN GLU 95 -10.776 -4.258 -25.348 748 HA GLU 95 HA GLU 95 -10.739 -6.337 -23.446 749 1HB GLU 95 HB2 GLU 95 -10.026 -3.800 -23.279 750 2HB GLU 95 HB1 GLU 95 -11.669 -3.604 -22.673 751 1HG GLU 95 HG2 GLU 95 -11.017 -5.666 -21.157 752 2HG GLU 95 HG1 GLU 95 -9.374 -5.118 -21.490 753 H MET 96 HN MET 96 -13.377 -4.145 -24.428 754 HA MET 96 HA MET 96 -15.387 -5.017 -22.683 755 1HB MET 96 HB2 MET 96 -15.671 -3.034 -24.030 756 2HB MET 96 HB1 MET 96 -15.563 -3.970 -25.516 757 1HG MET 96 HG2 MET 96 -17.684 -4.828 -23.640 758 2HG MET 96 HG1 MET 96 -17.896 -3.223 -24.327 759 1HE MET 96 HE2 MET 96 -18.356 -2.679 -26.774 760 2HE MET 96 HE1 MET 96 -16.790 -3.325 -27.254 761 3HE MET 96 HE3 MET 96 -18.253 -3.824 -28.109 762 H ASN 97 HN ASN 97 -14.514 -6.226 -25.912 763 HA ASN 97 HA ASN 97 -16.480 -8.282 -26.055 764 1HB ASN 97 HB2 ASN 97 -15.204 -7.276 -27.988 765 2HB ASN 97 HB1 ASN 97 -13.801 -8.197 -27.466 766 1HD2 ASN 97 HD22 ASN 97 -14.910 -10.647 -29.736 767 2HD2 ASN 97 HD21 ASN 97 -13.730 -9.427 -29.355 768 H THR 98 HN THR 98 -13.160 -8.175 -24.807 769 HA THR 98 HA THR 98 -12.817 -10.974 -24.398 770 HB THR 98 HB THR 98 -11.530 -8.628 -22.978 771 HG1 THR 98 HG1 THR 98 -11.345 -9.204 -25.449 772 1HG2 THR 98 HG22 THR 98 -10.952 -11.573 -22.939 773 2HG2 THR 98 HG21 THR 98 -9.645 -10.405 -22.724 774 3HG2 THR 98 HG23 THR 98 -11.005 -10.427 -21.596 775 H TRP 99 HN TRP 99 -14.004 -8.350 -22.306 776 HA TRP 99 HA TRP 99 -14.380 -9.910 -19.954 777 1HB TRP 99 HB2 TRP 99 -15.489 -7.274 -20.913 778 2HB TRP 99 HB1 TRP 99 -16.054 -7.996 -19.414 779 HD1 TRP 99 HD1 TRP 99 -13.522 -5.618 -20.608 780 HE1 TRP 99 HE1 TRP 99 -11.720 -5.246 -18.842 781 HE3 TRP 99 HE3 TRP 99 -14.519 -9.564 -17.483 782 HZ2 TRP 99 HZ2 TRP 99 -10.817 -6.413 -16.463 783 HZ3 TRP 99 HZ3 TRP 99 -13.136 -9.866 -15.464 784 HH2 TRP 99 HH2 TRP 99 -11.307 -8.308 -14.956 785 H ILE 100 HN ILE 100 -16.637 -8.897 -22.530 786 HA ILE 100 HA ILE 100 -18.940 -10.187 -21.539 787 HB ILE 100 HB ILE 100 -18.103 -9.347 -24.314 788 1HG1 ILE 100 HG12 ILE 100 -20.188 -8.277 -22.403 789 2HG1 ILE 100 HG11 ILE 100 -18.591 -7.585 -22.653 790 1HG2 ILE 100 HG22 ILE 100 -20.713 -10.615 -23.463 791 2HG2 ILE 100 HG21 ILE 100 -20.527 -9.661 -24.931 792 3HG2 ILE 100 HG23 ILE 100 -19.615 -11.154 -24.739 793 1HD1 ILE 100 HD13 ILE 100 -19.398 -7.559 -25.192 794 2HD1 ILE 100 HD12 ILE 100 -20.994 -7.530 -24.432 795 3HD1 ILE 100 HD11 ILE 100 -19.818 -6.266 -24.072 796 H GLN 101 HN GLN 101 -16.354 -11.384 -23.676 797 HA GLN 101 HA GLN 101 -17.493 -13.855 -24.412 798 1HB GLN 101 HB2 GLN 101 -14.708 -12.787 -24.214 799 2HB GLN 101 HB1 GLN 101 -14.928 -14.518 -24.454 800 1HG GLN 101 HG2 GLN 101 -16.267 -14.071 -26.468 801 2HG GLN 101 HG1 GLN 101 -16.058 -12.340 -26.235 802 1HE2 GLN 101 HE22 GLN 101 -12.748 -12.264 -27.457 803 2HE2 GLN 101 HE21 GLN 101 -13.985 -11.431 -26.578 804 H ALA 102 HN ALA 102 -15.319 -13.063 -21.702 805 HA ALA 102 HA ALA 102 -15.255 -15.692 -20.601 806 1HB ALA 102 HB1 ALA 102 -13.527 -13.918 -20.218 807 2HB ALA 102 HB3 ALA 102 -14.680 -13.091 -19.168 808 3HB ALA 102 HB2 ALA 102 -14.099 -14.701 -18.747 809 H ILE 103 HN ILE 103 -17.007 -12.742 -19.618 810 HA ILE 103 HA ILE 103 -18.349 -13.820 -17.398 811 HB ILE 103 HB ILE 103 -19.092 -11.544 -19.237 812 1HG1 ILE 103 HG12 ILE 103 -18.014 -11.320 -16.440 813 2HG1 ILE 103 HG11 ILE 103 -16.921 -11.555 -17.797 814 1HG2 ILE 103 HG23 ILE 103 -20.367 -12.517 -16.699 815 2HG2 ILE 103 HG22 ILE 103 -20.387 -10.801 -17.122 816 3HG2 ILE 103 HG21 ILE 103 -21.129 -11.985 -18.199 817 1HD1 ILE 103 HD11 ILE 103 -18.264 -9.536 -18.834 818 2HD1 ILE 103 HD13 ILE 103 -18.653 -9.209 -17.144 819 3HD1 ILE 103 HD12 ILE 103 -16.970 -9.252 -17.669 820 H SER 104 HN SER 104 -19.383 -13.653 -20.818 821 HA SER 104 HA SER 104 -21.986 -14.745 -20.384 822 1HB SER 104 HB2 SER 104 -20.316 -14.737 -22.911 823 2HB SER 104 HB1 SER 104 -22.046 -15.063 -22.815 824 HG SER 104 HG SER 104 -20.657 -12.641 -22.473 825 H SER 105 HN SER 105 -18.869 -16.197 -20.449 826 HA SER 105 HA SER 105 -19.835 -18.875 -21.149 827 1HB SER 105 HB2 SER 105 -17.102 -17.876 -20.312 828 2HB SER 105 HB1 SER 105 -17.465 -19.521 -20.819 829 HG SER 105 HG SER 105 -17.593 -17.130 -22.358 830 H ALA 106 HN ALA 106 -20.126 -17.064 -18.460 831 HA ALA 106 HA ALA 106 -19.702 -19.305 -16.564 832 1HB ALA 106 HB2 ALA 106 -18.432 -17.108 -16.226 833 2HB ALA 106 HB1 ALA 106 -19.992 -16.387 -15.839 834 3HB ALA 106 HB3 ALA 106 -19.360 -17.704 -14.847 No H/Q in entry = 834 Start of MODEL 35 1 1H MET 1 HT3 MET 1 -9.210 -13.970 -15.381 2 2H MET 1 HT2 MET 1 -10.300 -14.525 -16.573 3 3H MET 1 HT1 MET 1 -8.659 -14.288 -16.963 4 HA MET 1 HA MET 1 -8.973 -12.198 -17.464 5 1HB MET 1 HB2 MET 1 -11.196 -13.219 -18.210 6 2HB MET 1 HB1 MET 1 -11.898 -12.508 -16.763 7 1HG MET 1 HG2 MET 1 -12.288 -10.970 -18.533 8 2HG MET 1 HG1 MET 1 -11.003 -10.276 -17.554 9 1HE MET 1 HE2 MET 1 -10.225 -8.667 -19.071 10 2HE MET 1 HE1 MET 1 -9.301 -8.940 -20.545 11 3HE MET 1 HE3 MET 1 -11.071 -8.942 -20.593 12 H GLU 2 HN GLU 2 -8.152 -10.635 -16.270 13 HA GLU 2 HA GLU 2 -9.606 -9.575 -13.983 14 1HB GLU 2 HB2 GLU 2 -8.406 -10.553 -12.404 15 2HB GLU 2 HB1 GLU 2 -7.485 -11.422 -13.602 16 1HG GLU 2 HG2 GLU 2 -6.755 -8.606 -12.902 17 2HG GLU 2 HG1 GLU 2 -6.270 -9.931 -11.860 18 H GLY 3 HN GLY 3 -9.240 -7.458 -13.618 19 1HA GLY 3 HA2 GLY 3 -7.119 -5.838 -14.304 20 2HA GLY 3 HA1 GLY 3 -8.114 -5.921 -15.759 21 H PHE 4 HN PHE 4 -7.997 -3.511 -14.963 22 HA PHE 4 HA PHE 4 -9.888 -2.772 -12.891 23 1HB PHE 4 HB2 PHE 4 -8.161 -1.270 -14.826 24 2HB PHE 4 HB1 PHE 4 -9.472 -0.440 -14.008 25 HD1 PHE 4 HD1 PHE 4 -9.560 -0.780 -11.386 26 HD2 PHE 4 HD2 PHE 4 -6.082 -1.307 -13.811 27 HE1 PHE 4 HE1 PHE 4 -8.131 -0.461 -9.406 28 HE2 PHE 4 HE2 PHE 4 -4.654 -0.981 -11.832 29 HZ PHE 4 HZ PHE 4 -5.711 -0.525 -9.608 30 H LEU 5 HN LEU 5 -11.866 -1.818 -13.188 31 HA LEU 5 HA LEU 5 -12.997 -1.559 -15.879 32 1HB LEU 5 HB2 LEU 5 -13.718 -3.670 -13.924 33 2HB LEU 5 HB1 LEU 5 -15.077 -2.796 -14.619 34 HG LEU 5 HG LEU 5 -12.907 -4.176 -16.202 35 1HD1 LEU 5 HD12 LEU 5 -15.688 -4.996 -15.407 36 2HD1 LEU 5 HD11 LEU 5 -14.896 -5.672 -16.833 37 3HD1 LEU 5 HD13 LEU 5 -14.176 -5.893 -15.237 38 1HD2 LEU 5 HD21 LEU 5 -14.961 -2.257 -16.933 39 2HD2 LEU 5 HD23 LEU 5 -13.610 -2.882 -17.883 40 3HD2 LEU 5 HD22 LEU 5 -15.129 -3.770 -17.820 41 H ASN 6 HN ASN 6 -14.704 -0.092 -15.959 42 HA ASN 6 HA ASN 6 -15.047 1.632 -13.618 43 1HB ASN 6 HB2 ASN 6 -15.228 1.977 -16.486 44 2HB ASN 6 HB1 ASN 6 -16.720 2.491 -15.721 45 1HD2 ASN 6 HD22 ASN 6 -15.351 5.516 -14.719 46 2HD2 ASN 6 HD21 ASN 6 -16.711 4.600 -15.273 47 H ARG 7 HN ARG 7 -16.470 0.976 -12.158 48 HA ARG 7 HA ARG 7 -18.790 -0.635 -13.029 49 1HB ARG 7 HB2 ARG 7 -17.154 -1.642 -11.463 50 2HB ARG 7 HB1 ARG 7 -17.538 -0.387 -10.292 51 1HG ARG 7 HG2 ARG 7 -19.858 -1.152 -10.198 52 2HG ARG 7 HG1 ARG 7 -19.523 -2.369 -11.431 53 1HD ARG 7 HD2 ARG 7 -17.890 -3.436 -9.915 54 2HD ARG 7 HD1 ARG 7 -18.247 -2.223 -8.686 55 HE ARG 7 HE ARG 7 -20.319 -4.090 -9.721 56 1HH1 ARG 7 HH21 ARG 7 -21.223 -2.020 -7.759 57 2HH1 ARG 7 HH22 ARG 7 -21.127 -2.844 -6.229 58 1HH2 ARG 7 HH11 ARG 7 -19.035 -5.398 -7.471 59 2HH2 ARG 7 HH12 ARG 7 -19.887 -4.800 -6.070 60 H LYS 8 HN LYS 8 -20.781 -0.017 -12.693 61 HA LYS 8 HA LYS 8 -21.461 2.117 -10.794 62 1HB LYS 8 HB2 LYS 8 -21.193 3.241 -12.973 63 2HB LYS 8 HB1 LYS 8 -22.314 2.111 -13.710 64 1HG LYS 8 HG2 LYS 8 -23.705 3.156 -11.503 65 2HG LYS 8 HG1 LYS 8 -22.846 4.533 -12.176 66 1HD LYS 8 HD2 LYS 8 -24.645 4.694 -13.541 67 2HD LYS 8 HD1 LYS 8 -23.831 3.438 -14.461 68 1HE LYS 8 HE2 LYS 8 -25.988 2.581 -14.232 69 2HE LYS 8 HE1 LYS 8 -25.132 1.787 -12.918 70 1HZ LYS 8 HZ2 LYS 8 -26.355 4.343 -12.270 71 2HZ LYS 8 HZ1 LYS 8 -27.436 3.068 -12.630 72 3HZ LYS 8 HZ3 LYS 8 -26.302 2.897 -11.373 73 H HIS 9 HN HIS 9 -22.882 1.097 -9.510 74 HA HIS 9 HA HIS 9 -24.389 -1.172 -10.457 75 1HB HIS 9 HB2 HIS 9 -25.187 -1.415 -8.218 76 2HB HIS 9 HB1 HIS 9 -23.471 -1.052 -8.152 77 HD1 HIS 9 HD1 HIS 9 -25.143 -0.654 -5.707 78 HD2 HIS 9 HD2 HIS 9 -24.432 2.378 -8.425 79 HE1 HIS 9 HE1 HIS 9 -25.518 1.466 -4.427 80 H GLU 10 HN GLU 10 -26.523 -1.297 -10.921 81 HA GLU 10 HA GLU 10 -27.981 1.263 -11.222 82 1HB GLU 10 HB2 GLU 10 -27.467 0.187 -13.345 83 2HB GLU 10 HB1 GLU 10 -28.166 -1.322 -12.784 84 1HG GLU 10 HG2 GLU 10 -29.878 -0.459 -14.076 85 2HG GLU 10 HG1 GLU 10 -30.350 0.093 -12.478 86 H TRP 11 HN TRP 11 -28.512 -2.213 -10.608 87 HA TRP 11 HA TRP 11 -30.656 -1.478 -8.715 88 1HB TRP 11 HB2 TRP 11 -31.541 -2.287 -10.960 89 2HB TRP 11 HB1 TRP 11 -30.819 -3.846 -10.590 90 HD1 TRP 11 HD1 TRP 11 -33.550 -1.445 -9.212 91 HE1 TRP 11 HE1 TRP 11 -35.237 -2.856 -7.915 92 HE3 TRP 11 HE3 TRP 11 -31.243 -5.996 -9.461 93 HZ2 TRP 11 HZ2 TRP 11 -35.577 -5.521 -7.093 94 HZ3 TRP 11 HZ3 TRP 11 -32.308 -7.947 -8.391 95 HH2 TRP 11 HH2 TRP 11 -34.451 -7.713 -7.221 96 H GLU 12 HN GLU 12 -30.253 -2.220 -6.802 97 HA GLU 12 HA GLU 12 -28.821 -4.791 -6.412 98 1HB GLU 12 HB2 GLU 12 -28.332 -2.162 -4.990 99 2HB GLU 12 HB1 GLU 12 -27.777 -3.715 -4.377 100 1HG GLU 12 HG2 GLU 12 -26.742 -3.906 -6.831 101 2HG GLU 12 HG1 GLU 12 -26.821 -2.148 -6.733 102 H ALA 13 HN ALA 13 -30.880 -2.261 -5.063 103 HA ALA 13 HA ALA 13 -32.256 -4.257 -3.356 104 1HB ALA 13 HB2 ALA 13 -30.981 -2.636 -2.011 105 2HB ALA 13 HB1 ALA 13 -31.819 -1.304 -2.814 106 3HB ALA 13 HB3 ALA 13 -32.717 -2.416 -1.779 107 H HIS 14 HN HIS 14 -34.537 -3.776 -2.946 108 HA HIS 14 HA HIS 14 -35.896 -3.037 -5.389 109 1HB HIS 14 HB2 HIS 14 -37.994 -3.434 -3.920 110 2HB HIS 14 HB1 HIS 14 -36.980 -4.796 -4.348 111 HD1 HIS 14 HD1 HIS 14 -37.620 -2.519 -1.391 112 HD2 HIS 14 HD2 HIS 14 -36.082 -6.275 -2.216 113 HE1 HIS 14 HE1 HIS 14 -37.257 -3.579 0.849 114 H ASN 15 HN ASN 15 -35.146 -0.855 -5.527 115 HA ASN 15 HA ASN 15 -37.015 1.039 -4.346 116 1HB ASN 15 HB2 ASN 15 -34.908 0.769 -2.808 117 2HB ASN 15 HB1 ASN 15 -34.089 1.701 -4.059 118 1HD2 ASN 15 HD22 ASN 15 -35.109 4.609 -2.406 119 2HD2 ASN 15 HD21 ASN 15 -33.819 3.630 -3.041 120 H LYS 16 HN LYS 16 -36.365 -0.071 -6.965 121 HA LYS 16 HA LYS 16 -36.450 0.627 -9.126 122 1HB LYS 16 HB2 LYS 16 -37.502 2.756 -7.960 123 2HB LYS 16 HB1 LYS 16 -35.986 3.504 -8.457 124 1HG LYS 16 HG2 LYS 16 -36.556 2.377 -10.776 125 2HG LYS 16 HG1 LYS 16 -38.197 2.377 -10.140 126 1HD LYS 16 HD2 LYS 16 -37.299 4.950 -9.591 127 2HD LYS 16 HD1 LYS 16 -36.587 4.595 -11.162 128 1HE LYS 16 HE2 LYS 16 -38.654 5.507 -11.739 129 2HE LYS 16 HE1 LYS 16 -38.955 3.776 -11.818 130 1HZ LYS 16 HZ3 LYS 16 -39.432 4.893 -9.211 131 2HZ LYS 16 HZ2 LYS 16 -40.424 5.572 -10.429 132 3HZ LYS 16 HZ1 LYS 16 -40.419 3.885 -10.162 133 H LYS 17 HN LYS 17 -34.061 2.678 -7.416 134 HA LYS 17 HA LYS 17 -31.920 1.578 -9.106 135 1HB LYS 17 HB2 LYS 17 -32.517 4.544 -8.880 136 2HB LYS 17 HB1 LYS 17 -31.076 3.859 -9.624 137 1HG LYS 17 HG2 LYS 17 -32.501 2.688 -11.274 138 2HG LYS 17 HG1 LYS 17 -33.920 3.447 -10.560 139 1HD LYS 17 HD2 LYS 17 -33.618 5.140 -12.001 140 2HD LYS 17 HD1 LYS 17 -32.205 5.582 -11.049 141 1HE LYS 17 HE2 LYS 17 -31.558 5.409 -13.371 142 2HE LYS 17 HE1 LYS 17 -30.820 4.089 -12.475 143 1HZ LYS 17 HZ1 LYS 17 -33.277 3.165 -13.383 144 2HZ LYS 17 HZ3 LYS 17 -32.551 3.966 -14.697 145 3HZ LYS 17 HZ2 LYS 17 -31.723 2.699 -13.910 146 H ALA 18 HN ALA 18 -29.860 3.084 -8.392 147 HA ALA 18 HA ALA 18 -29.714 3.405 -5.488 148 1HB ALA 18 HB1 ALA 18 -29.177 1.017 -5.881 149 2HB ALA 18 HB3 ALA 18 -27.897 1.499 -6.999 150 3HB ALA 18 HB2 ALA 18 -27.781 1.914 -5.287 151 H SER 19 HN SER 19 -27.473 4.265 -4.885 152 HA SER 19 HA SER 19 -25.893 5.514 -6.961 153 1HB SER 19 HB2 SER 19 -27.603 7.255 -5.159 154 2HB SER 19 HB1 SER 19 -26.289 7.844 -6.177 155 HG SER 19 HG SER 19 -28.067 6.278 -7.554 156 H SER 20 HN SER 20 -24.508 4.037 -5.708 157 HA SER 20 HA SER 20 -23.112 5.479 -3.558 158 1HB SER 20 HB2 SER 20 -23.814 2.532 -3.367 159 2HB SER 20 HB1 SER 20 -22.922 3.486 -2.182 160 HG SER 20 HG SER 20 -25.650 3.882 -2.955 161 H ARG 21 HN ARG 21 -21.245 5.843 -4.589 162 HA ARG 21 HA ARG 21 -19.213 5.492 -5.591 163 1HB ARG 21 HB2 ARG 21 -19.797 2.523 -5.403 164 2HB ARG 21 HB1 ARG 21 -18.239 3.273 -5.715 165 1HG ARG 21 HG2 ARG 21 -18.291 4.322 -3.484 166 2HG ARG 21 HG1 ARG 21 -19.842 3.557 -3.158 167 1HD ARG 21 HD2 ARG 21 -17.205 2.146 -3.641 168 2HD ARG 21 HD1 ARG 21 -18.065 2.271 -2.107 169 HE ARG 21 HE ARG 21 -18.621 0.404 -4.243 170 1HH1 ARG 21 HH11 ARG 21 -21.321 1.233 -4.290 171 2HH1 ARG 21 HH12 ARG 21 -22.058 0.543 -2.868 172 1HH2 ARG 21 HH21 ARG 21 -19.019 -0.013 -1.210 173 2HH2 ARG 21 HH22 ARG 21 -20.754 -0.164 -1.134 174 H SER 22 HN SER 22 -21.238 6.233 -7.108 175 HA SER 22 HA SER 22 -21.799 4.590 -9.374 176 1HB SER 22 HB2 SER 22 -22.048 7.597 -9.298 177 2HB SER 22 HB1 SER 22 -23.020 6.434 -10.199 178 HG SER 22 HG SER 22 -22.997 6.874 -7.376 179 H TRP 23 HN TRP 23 -20.408 4.073 -10.879 180 HA TRP 23 HA TRP 23 -18.778 4.072 -12.427 181 1HB TRP 23 HB2 TRP 23 -19.400 7.024 -12.377 182 2HB TRP 23 HB1 TRP 23 -18.128 6.381 -13.411 183 HD1 TRP 23 HD1 TRP 23 -21.607 7.299 -13.766 184 HE1 TRP 23 HE1 TRP 23 -22.786 5.911 -15.572 185 HE3 TRP 23 HE3 TRP 23 -18.184 3.542 -14.352 186 HZ2 TRP 23 HZ2 TRP 23 -22.349 3.546 -17.054 187 HZ3 TRP 23 HZ3 TRP 23 -18.615 1.755 -15.966 188 HH2 TRP 23 HH2 TRP 23 -20.675 1.752 -17.321 189 H HIS 24 HN HIS 24 -17.662 3.254 -10.541 190 HA HIS 24 HA HIS 24 -15.312 4.882 -9.754 191 1HB HIS 24 HB2 HIS 24 -16.811 4.121 -7.904 192 2HB HIS 24 HB1 HIS 24 -16.538 2.456 -8.393 193 HD1 HIS 24 HD1 HIS 24 -15.175 5.096 -6.285 194 HD2 HIS 24 HD2 HIS 24 -13.756 1.592 -7.973 195 HE1 HIS 24 HE1 HIS 24 -13.086 4.564 -5.019 196 H ASN 25 HN ASN 25 -13.283 4.062 -10.224 197 HA ASN 25 HA ASN 25 -13.147 1.840 -12.121 198 1HB ASN 25 HB2 ASN 25 -11.835 4.075 -12.258 199 2HB ASN 25 HB1 ASN 25 -10.772 3.370 -11.047 200 1HD2 ASN 25 HD22 ASN 25 -10.823 1.902 -14.880 201 2HD2 ASN 25 HD21 ASN 25 -12.140 2.853 -14.269 202 H VAL 26 HN VAL 26 -13.630 0.048 -10.915 203 HA VAL 26 HA VAL 26 -11.935 -0.627 -8.591 204 HB VAL 26 HB VAL 26 -14.492 -0.599 -8.482 205 1HG1 VAL 26 HG11 VAL 26 -14.649 -1.878 -10.725 206 2HG1 VAL 26 HG13 VAL 26 -14.365 -3.319 -9.743 207 3HG1 VAL 26 HG12 VAL 26 -15.767 -2.299 -9.425 208 1HG2 VAL 26 HG21 VAL 26 -12.879 -1.755 -6.878 209 2HG2 VAL 26 HG23 VAL 26 -14.554 -2.311 -6.878 210 3HG2 VAL 26 HG22 VAL 26 -13.313 -3.255 -7.703 211 H TYR 27 HN TYR 27 -11.179 -2.848 -8.404 212 HA TYR 27 HA TYR 27 -10.264 -3.919 -10.995 213 1HB TYR 27 HB2 TYR 27 -8.754 -3.262 -8.957 214 2HB TYR 27 HB1 TYR 27 -9.246 -4.818 -8.320 215 HD1 TYR 27 HD2 TYR 27 -8.642 -6.898 -9.531 216 HD2 TYR 27 HD1 TYR 27 -7.198 -3.080 -10.752 217 HE1 TYR 27 HE2 TYR 27 -6.922 -7.996 -10.899 218 HE2 TYR 27 HE1 TYR 27 -5.467 -4.173 -12.124 219 HH TYR 27 HH TYR 27 -4.266 -6.677 -11.943 220 H CYS 28 HN CYS 28 -11.477 -5.512 -11.799 221 HA CYS 28 HA CYS 28 -12.903 -7.350 -9.970 222 1HB CYS 28 HB2 CYS 28 -13.370 -6.931 -12.928 223 2HB CYS 28 HB1 CYS 28 -14.387 -7.820 -11.801 224 HG CYS 28 HG CYS 28 -14.029 -4.749 -11.452 225 H VAL 29 HN VAL 29 -12.452 -9.487 -9.960 226 HA VAL 29 HA VAL 29 -10.650 -10.617 -12.021 227 HB VAL 29 HB VAL 29 -10.416 -11.083 -9.042 228 1HG1 VAL 29 HG11 VAL 29 -9.172 -12.368 -11.420 229 2HG1 VAL 29 HG13 VAL 29 -8.137 -12.074 -10.019 230 3HG1 VAL 29 HG12 VAL 29 -9.594 -13.054 -9.847 231 1HG2 VAL 29 HG22 VAL 29 -9.077 -9.181 -10.861 232 2HG2 VAL 29 HG21 VAL 29 -9.368 -9.089 -9.123 233 3HG2 VAL 29 HG23 VAL 29 -8.031 -10.056 -9.744 234 H ILE 30 HN ILE 30 -11.618 -12.310 -12.944 235 HA ILE 30 HA ILE 30 -13.812 -13.708 -11.585 236 HB ILE 30 HB ILE 30 -12.784 -14.402 -14.325 237 1HG1 ILE 30 HG12 ILE 30 -14.624 -12.100 -13.631 238 2HG1 ILE 30 HG11 ILE 30 -13.054 -11.990 -14.423 239 1HG2 ILE 30 HG22 ILE 30 -14.508 -15.808 -13.194 240 2HG2 ILE 30 HG21 ILE 30 -15.581 -14.407 -13.180 241 3HG2 ILE 30 HG23 ILE 30 -15.054 -15.096 -14.714 242 1HD1 ILE 30 HD12 ILE 30 -14.025 -13.442 -16.270 243 2HD1 ILE 30 HD11 ILE 30 -15.603 -13.172 -15.526 244 3HD1 ILE 30 HD13 ILE 30 -14.675 -11.809 -16.154 245 H ASN 31 HN ASN 31 -13.594 -15.679 -10.695 246 HA ASN 31 HA ASN 31 -11.099 -17.208 -11.173 247 1HB ASN 31 HB2 ASN 31 -11.240 -15.927 -8.939 248 2HB ASN 31 HB1 ASN 31 -12.485 -17.086 -8.485 249 1HD2 ASN 31 HD22 ASN 31 -10.206 -19.621 -7.707 250 2HD2 ASN 31 HD21 ASN 31 -11.840 -19.032 -7.715 251 H ASN 32 HN ASN 32 -13.203 -17.780 -12.715 252 HA ASN 32 HA ASN 32 -14.395 -19.587 -13.460 253 1HB ASN 32 HB2 ASN 32 -12.478 -20.792 -12.148 254 2HB ASN 32 HB1 ASN 32 -13.740 -21.166 -10.982 255 1HD2 ASN 32 HD22 ASN 32 -13.388 -23.787 -13.731 256 2HD2 ASN 32 HD21 ASN 32 -12.197 -22.918 -12.805 257 H GLN 33 HN GLN 33 -16.412 -18.687 -13.374 258 HA GLN 33 HA GLN 33 -18.619 -18.549 -12.857 259 1HB GLN 33 HB2 GLN 33 -18.095 -20.610 -10.709 260 2HB GLN 33 HB1 GLN 33 -19.654 -20.169 -11.386 261 1HG GLN 33 HG2 GLN 33 -17.532 -21.110 -13.281 262 2HG GLN 33 HG1 GLN 33 -18.313 -22.305 -12.254 263 1HE2 GLN 33 HE22 GLN 33 -21.064 -22.523 -14.367 264 2HE2 GLN 33 HE21 GLN 33 -19.974 -23.259 -13.225 265 H GLU 34 HN GLU 34 -16.261 -17.783 -10.537 266 HA GLU 34 HA GLU 34 -18.175 -16.083 -9.062 267 1HB GLU 34 HB2 GLU 34 -17.095 -18.200 -7.866 268 2HB GLU 34 HB1 GLU 34 -15.720 -17.115 -7.692 269 1HG GLU 34 HG2 GLU 34 -17.319 -15.427 -6.681 270 2HG GLU 34 HG1 GLU 34 -18.540 -16.697 -6.678 271 H MET 35 HN MET 35 -17.527 -13.997 -8.712 272 HA MET 35 HA MET 35 -14.850 -13.216 -9.718 273 1HB MET 35 HB2 MET 35 -15.839 -11.126 -10.535 274 2HB MET 35 HB1 MET 35 -16.573 -12.524 -11.311 275 1HG MET 35 HG2 MET 35 -18.376 -12.319 -9.468 276 2HG MET 35 HG1 MET 35 -17.727 -10.711 -9.209 277 1HE MET 35 HE3 MET 35 -17.574 -8.974 -10.668 278 2HE MET 35 HE2 MET 35 -17.601 -9.188 -12.419 279 3HE MET 35 HE1 MET 35 -19.014 -8.529 -11.596 280 H GLY 36 HN GLY 36 -13.827 -11.528 -8.647 281 1HA GLY 36 HA2 GLY 36 -14.910 -10.847 -5.969 282 2HA GLY 36 HA1 GLY 36 -13.215 -11.221 -6.258 283 H PHE 37 HN PHE 37 -14.913 -8.750 -5.427 284 HA PHE 37 HA PHE 37 -13.907 -6.767 -7.368 285 1HB PHE 37 HB2 PHE 37 -15.866 -6.548 -5.069 286 2HB PHE 37 HB1 PHE 37 -15.314 -5.177 -6.023 287 HD1 PHE 37 HD1 PHE 37 -15.618 -5.396 -8.625 288 HD2 PHE 37 HD2 PHE 37 -17.777 -7.679 -5.725 289 HE1 PHE 37 HE1 PHE 37 -17.379 -5.851 -10.288 290 HE2 PHE 37 HE2 PHE 37 -19.537 -8.117 -7.385 291 HZ PHE 37 HZ PHE 37 -19.317 -7.195 -9.700 292 H TYR 38 HN TYR 38 -11.851 -6.249 -6.967 293 HA TYR 38 HA TYR 38 -10.977 -5.787 -4.169 294 1HB TYR 38 HB2 TYR 38 -9.285 -6.504 -6.579 295 2HB TYR 38 HB1 TYR 38 -8.718 -6.313 -4.924 296 HD1 TYR 38 HD1 TYR 38 -9.282 -7.955 -3.208 297 HD2 TYR 38 HD2 TYR 38 -10.438 -8.515 -7.271 298 HE1 TYR 38 HE1 TYR 38 -9.743 -10.326 -2.741 299 HE2 TYR 38 HE2 TYR 38 -10.893 -10.895 -6.810 300 HH TYR 38 HH TYR 38 -11.508 -12.181 -4.147 301 H LYS 39 HN LYS 39 -9.063 -4.226 -4.110 302 HA LYS 39 HA LYS 39 -9.931 -1.688 -5.145 303 1HB LYS 39 HB2 LYS 39 -8.620 -2.408 -2.909 304 2HB LYS 39 HB1 LYS 39 -7.242 -1.962 -3.903 305 1HG LYS 39 HG2 LYS 39 -9.634 -0.169 -3.501 306 2HG LYS 39 HG1 LYS 39 -8.210 -0.122 -2.471 307 1HD LYS 39 HD2 LYS 39 -7.048 0.054 -4.905 308 2HD LYS 39 HD1 LYS 39 -8.578 0.847 -5.245 309 1HE LYS 39 HE2 LYS 39 -6.617 1.578 -3.057 310 2HE LYS 39 HE1 LYS 39 -6.901 2.482 -4.541 311 1HZ LYS 39 HZ1 LYS 39 -9.243 2.755 -3.789 312 2HZ LYS 39 HZ3 LYS 39 -8.803 2.074 -2.290 313 3HZ LYS 39 HZ2 LYS 39 -8.092 3.537 -2.799 314 H ASP 40 HN ASP 40 -6.946 -3.606 -5.544 315 HA ASP 40 HA ASP 40 -6.663 -2.709 -8.309 316 1HB ASP 40 HB2 ASP 40 -4.508 -1.753 -8.067 317 2HB ASP 40 HB1 ASP 40 -5.476 -1.033 -6.791 318 H ALA 41 HN ALA 41 -4.173 -3.635 -8.870 319 HA ALA 41 HA ALA 41 -4.512 -6.421 -9.177 320 1HB ALA 41 HB1 ALA 41 -2.010 -4.728 -9.389 321 2HB ALA 41 HB3 ALA 41 -2.150 -6.396 -9.951 322 3HB ALA 41 HB2 ALA 41 -3.125 -5.131 -10.698 323 H LYS 42 HN LYS 42 -2.580 -4.578 -6.820 324 HA LYS 42 HA LYS 42 -1.322 -6.833 -5.606 325 1HB LYS 42 HB2 LYS 42 -1.884 -4.155 -4.311 326 2HB LYS 42 HB1 LYS 42 -0.640 -5.320 -3.865 327 1HG LYS 42 HG2 LYS 42 0.157 -5.005 -6.329 328 2HG LYS 42 HG1 LYS 42 -0.777 -3.514 -6.253 329 1HD LYS 42 HD2 LYS 42 0.547 -2.728 -4.371 330 2HD LYS 42 HD1 LYS 42 1.403 -4.267 -4.279 331 1HE LYS 42 HE2 LYS 42 2.605 -2.308 -5.453 332 2HE LYS 42 HE1 LYS 42 2.584 -3.864 -6.278 333 1HZ LYS 42 HZ3 LYS 42 0.586 -1.753 -6.813 334 2HZ LYS 42 HZ2 LYS 42 2.051 -1.872 -7.680 335 3HZ LYS 42 HZ1 LYS 42 0.909 -3.146 -7.735 336 H SER 43 HN SER 43 -4.257 -4.982 -4.842 337 HA SER 43 HA SER 43 -4.964 -6.333 -2.451 338 1HB SER 43 HB2 SER 43 -6.814 -5.058 -4.477 339 2HB SER 43 HB1 SER 43 -7.184 -5.397 -2.787 340 HG SER 43 HG SER 43 -5.204 -3.587 -3.780 341 H ALA 44 HN ALA 44 -5.615 -7.028 -5.852 342 HA ALA 44 HA ALA 44 -7.422 -9.212 -5.410 343 1HB ALA 44 HB1 ALA 44 -5.899 -8.162 -7.781 344 2HB ALA 44 HB3 ALA 44 -6.738 -9.714 -7.875 345 3HB ALA 44 HB2 ALA 44 -7.643 -8.240 -7.522 346 H ALA 45 HN ALA 45 -3.952 -8.988 -6.170 347 HA ALA 45 HA ALA 45 -3.440 -11.778 -6.299 348 1HB ALA 45 HB2 ALA 45 -1.938 -10.084 -7.255 349 2HB ALA 45 HB1 ALA 45 -1.537 -9.518 -5.634 350 3HB ALA 45 HB3 ALA 45 -1.077 -11.146 -6.141 351 H SER 46 HN SER 46 -3.156 -9.436 -3.644 352 HA SER 46 HA SER 46 -2.152 -11.351 -1.737 353 1HB SER 46 HB2 SER 46 -1.980 -8.693 -1.868 354 2HB SER 46 HB1 SER 46 -3.418 -8.788 -0.862 355 HG SER 46 HG SER 46 -0.834 -9.881 -0.357 356 H GLY 47 HN GLY 47 -5.318 -10.148 -2.665 357 1HA GLY 47 HA2 GLY 47 -7.380 -11.177 -2.301 358 2HA GLY 47 HA1 GLY 47 -6.629 -12.246 -1.119 359 H ILE 48 HN ILE 48 -6.802 -8.703 -1.389 360 HA ILE 48 HA ILE 48 -7.672 -8.505 1.417 361 HB ILE 48 HB ILE 48 -6.560 -6.489 -0.541 362 1HG1 ILE 48 HG12 ILE 48 -5.425 -7.354 2.113 363 2HG1 ILE 48 HG11 ILE 48 -5.031 -8.180 0.609 364 1HG2 ILE 48 HG21 ILE 48 -7.763 -6.081 2.180 365 2HG2 ILE 48 HG23 ILE 48 -6.487 -5.017 1.588 366 3HG2 ILE 48 HG22 ILE 48 -8.007 -5.146 0.703 367 1HD1 ILE 48 HD11 ILE 48 -4.691 -5.198 0.899 368 2HD1 ILE 48 HD13 ILE 48 -3.430 -6.330 1.392 369 3HD1 ILE 48 HD12 ILE 48 -3.961 -6.277 -0.290 370 HA PRO 49 HA PRO 49 -11.812 -7.881 -0.235 371 1HB PRO 49 HB2 PRO 49 -13.051 -7.406 2.147 372 2HB PRO 49 HB1 PRO 49 -12.627 -9.020 1.555 373 1HG PRO 49 HG2 PRO 49 -11.230 -7.301 3.558 374 2HG PRO 49 HG1 PRO 49 -11.489 -9.053 3.561 375 1HD PRO 49 HD2 PRO 49 -9.126 -7.896 2.851 376 2HD PRO 49 HD1 PRO 49 -9.678 -9.459 2.220 377 H TYR 50 HN TYR 50 -12.494 -6.081 -1.197 378 HA TYR 50 HA TYR 50 -11.590 -3.459 -0.523 379 1HB TYR 50 HB2 TYR 50 -12.146 -4.207 -2.818 380 2HB TYR 50 HB1 TYR 50 -13.837 -4.312 -2.365 381 HD1 TYR 50 HD1 TYR 50 -11.067 -1.797 -2.150 382 HD2 TYR 50 HD2 TYR 50 -15.170 -2.565 -3.048 383 HE1 TYR 50 HE1 TYR 50 -11.373 0.565 -2.782 384 HE2 TYR 50 HE2 TYR 50 -15.475 -0.205 -3.670 385 HH TYR 50 HH TYR 50 -13.222 1.787 -4.482 386 H HIS 51 HN HIS 51 -14.844 -4.959 -0.342 387 HA HIS 51 HA HIS 51 -15.446 -3.336 2.002 388 1HB HIS 51 HB2 HIS 51 -17.521 -2.432 1.123 389 2HB HIS 51 HB1 HIS 51 -16.162 -1.917 0.142 390 HD1 HIS 51 HD1 HIS 51 -19.376 -2.460 -0.520 391 HD2 HIS 51 HD2 HIS 51 -16.040 -4.428 -1.973 392 HE1 HIS 51 HE1 HIS 51 -20.102 -3.440 -2.708 393 H SER 52 HN SER 52 -18.378 -4.051 1.488 394 HA SER 52 HA SER 52 -18.370 -6.465 3.029 395 1HB SER 52 HB2 SER 52 -20.950 -5.665 1.842 396 2HB SER 52 HB1 SER 52 -20.504 -5.929 3.522 397 HG SER 52 HG SER 52 -19.475 -3.835 3.475 398 H GLU 53 HN GLU 53 -20.101 -5.857 -0.053 399 HA GLU 53 HA GLU 53 -20.145 -8.699 -0.657 400 1HB GLU 53 HB2 GLU 53 -21.151 -6.299 -2.193 401 2HB GLU 53 HB1 GLU 53 -21.406 -7.973 -2.672 402 1HG GLU 53 HG2 GLU 53 -22.777 -8.419 -0.790 403 2HG GLU 53 HG1 GLU 53 -22.270 -6.945 0.033 404 H VAL 54 HN VAL 54 -17.703 -8.756 -0.698 405 HA VAL 54 HA VAL 54 -16.453 -7.695 -3.109 406 HB VAL 54 HB VAL 54 -15.403 -9.195 -0.717 407 1HG1 VAL 54 HG11 VAL 54 -14.071 -8.766 -3.370 408 2HG1 VAL 54 HG13 VAL 54 -13.116 -8.752 -1.887 409 3HG1 VAL 54 HG12 VAL 54 -14.044 -10.187 -2.324 410 1HG2 VAL 54 HG23 VAL 54 -15.869 -6.680 -0.767 411 2HG2 VAL 54 HG22 VAL 54 -14.286 -7.216 -0.201 412 3HG2 VAL 54 HG21 VAL 54 -14.469 -6.576 -1.836 413 HA PRO 55 HA PRO 55 -16.416 -12.311 -4.283 414 1HB PRO 55 HB2 PRO 55 -17.434 -14.198 -2.618 415 2HB PRO 55 HB1 PRO 55 -15.772 -13.604 -2.508 416 1HG PRO 55 HG2 PRO 55 -18.051 -13.127 -0.721 417 2HG PRO 55 HG1 PRO 55 -16.321 -12.938 -0.411 418 1HD PRO 55 HD2 PRO 55 -18.253 -10.900 -1.035 419 2HD PRO 55 HD1 PRO 55 -16.534 -10.718 -0.667 420 H VAL 56 HN VAL 56 -17.897 -12.437 -5.896 421 HA VAL 56 HA VAL 56 -20.747 -12.851 -5.204 422 HB VAL 56 HB VAL 56 -19.607 -10.948 -7.257 423 1HG1 VAL 56 HG12 VAL 56 -22.366 -12.065 -6.942 424 2HG1 VAL 56 HG11 VAL 56 -22.155 -10.410 -7.516 425 3HG1 VAL 56 HG13 VAL 56 -21.442 -11.753 -8.410 426 1HG2 VAL 56 HG21 VAL 56 -21.100 -10.591 -4.676 427 2HG2 VAL 56 HG23 VAL 56 -19.597 -9.829 -5.210 428 3HG2 VAL 56 HG22 VAL 56 -21.136 -9.352 -5.932 429 H SER 57 HN SER 57 -21.738 -14.419 -6.373 430 HA SER 57 HA SER 57 -20.137 -16.048 -8.157 431 1HB SER 57 HB2 SER 57 -22.998 -16.608 -7.673 432 2HB SER 57 HB1 SER 57 -21.627 -17.693 -7.697 433 HG SER 57 HG SER 57 -22.746 -16.350 -5.580 434 H LEU 58 HN LEU 58 -20.222 -15.983 -10.296 435 HA LEU 58 HA LEU 58 -21.913 -14.090 -11.703 436 1HB LEU 58 HB2 LEU 58 -19.476 -14.542 -12.214 437 2HB LEU 58 HB1 LEU 58 -19.958 -16.119 -12.831 438 HG LEU 58 HG LEU 58 -21.573 -14.772 -14.338 439 1HD1 LEU 58 HD12 LEU 58 -21.166 -12.609 -13.118 440 2HD1 LEU 58 HD11 LEU 58 -19.546 -12.606 -13.814 441 3HD1 LEU 58 HD13 LEU 58 -20.955 -12.526 -14.870 442 1HD2 LEU 58 HD21 LEU 58 -18.760 -15.433 -14.607 443 2HD2 LEU 58 HD23 LEU 58 -20.086 -15.646 -15.752 444 3HD2 LEU 58 HD22 LEU 58 -19.240 -14.101 -15.657 445 H LYS 59 HN LYS 59 -21.235 -17.530 -12.111 446 HA LYS 59 HA LYS 59 -22.369 -19.161 -13.325 447 1HB LYS 59 HB2 LYS 59 -22.584 -19.480 -10.906 448 2HB LYS 59 HB1 LYS 59 -24.087 -18.574 -10.924 449 1HG LYS 59 HG2 LYS 59 -24.495 -20.997 -10.899 450 2HG LYS 59 HG1 LYS 59 -25.104 -20.277 -12.386 451 1HD LYS 59 HD2 LYS 59 -23.461 -21.249 -13.690 452 2HD LYS 59 HD1 LYS 59 -22.311 -21.343 -12.360 453 1HE LYS 59 HE2 LYS 59 -23.173 -23.561 -13.093 454 2HE LYS 59 HE1 LYS 59 -23.464 -23.216 -11.392 455 1HZ LYS 59 HZ1 LYS 59 -25.496 -22.761 -13.513 456 2HZ LYS 59 HZ3 LYS 59 -25.357 -24.218 -12.642 457 3HZ LYS 59 HZ2 LYS 59 -25.725 -22.774 -11.822 458 H GLU 60 HN GLU 60 -23.112 -18.400 -15.294 459 HA GLU 60 HA GLU 60 -24.627 -17.945 -16.929 460 1HB GLU 60 HB2 GLU 60 -26.639 -18.739 -14.808 461 2HB GLU 60 HB1 GLU 60 -26.992 -18.542 -16.520 462 1HG GLU 60 HG2 GLU 60 -25.777 -20.430 -17.139 463 2HG GLU 60 HG1 GLU 60 -24.793 -20.403 -15.677 464 H ALA 61 HN ALA 61 -23.730 -15.722 -16.406 465 HA ALA 61 HA ALA 61 -25.708 -13.835 -15.318 466 1HB ALA 61 HB2 ALA 61 -22.882 -13.392 -16.333 467 2HB ALA 61 HB1 ALA 61 -23.909 -12.174 -15.566 468 3HB ALA 61 HB3 ALA 61 -23.360 -13.572 -14.641 469 H ILE 62 HN ILE 62 -26.814 -12.400 -16.547 470 HA ILE 62 HA ILE 62 -26.771 -12.716 -19.457 471 HB ILE 62 HB ILE 62 -28.478 -10.975 -17.659 472 1HG1 ILE 62 HG12 ILE 62 -29.308 -13.454 -19.169 473 2HG1 ILE 62 HG11 ILE 62 -28.785 -13.489 -17.488 474 1HG2 ILE 62 HG23 ILE 62 -28.175 -11.122 -20.580 475 2HG2 ILE 62 HG22 ILE 62 -29.846 -11.227 -20.012 476 3HG2 ILE 62 HG21 ILE 62 -28.855 -9.839 -19.569 477 1HD1 ILE 62 HD11 ILE 62 -30.664 -11.454 -17.519 478 2HD1 ILE 62 HD13 ILE 62 -31.340 -12.657 -18.618 479 3HD1 ILE 62 HD12 ILE 62 -30.934 -13.108 -16.964 480 H CYS 63 HN CYS 63 -25.724 -11.323 -20.770 481 HA CYS 63 HA CYS 63 -24.834 -8.730 -19.678 482 1HB CYS 63 HB2 CYS 63 -22.920 -9.989 -19.309 483 2HB CYS 63 HB1 CYS 63 -23.114 -10.943 -20.757 484 HG CYS 63 HG CYS 63 -22.396 -8.714 -22.096 485 H GLU 64 HN GLU 64 -25.595 -7.219 -20.915 486 HA GLU 64 HA GLU 64 -26.038 -7.662 -23.807 487 1HB GLU 64 HB2 GLU 64 -27.116 -5.486 -21.992 488 2HB GLU 64 HB1 GLU 64 -27.547 -5.742 -23.681 489 1HG GLU 64 HG2 GLU 64 -28.629 -7.816 -23.191 490 2HG GLU 64 HG1 GLU 64 -27.991 -7.842 -21.550 491 H VAL 65 HN VAL 65 -25.325 -6.067 -25.291 492 HA VAL 65 HA VAL 65 -22.912 -4.612 -24.395 493 HB VAL 65 HB VAL 65 -23.750 -4.912 -27.267 494 1HG1 VAL 65 HG11 VAL 65 -21.073 -4.785 -25.865 495 2HG1 VAL 65 HG13 VAL 65 -21.303 -4.972 -27.603 496 3HG1 VAL 65 HG12 VAL 65 -21.835 -3.495 -26.798 497 1HG2 VAL 65 HG23 VAL 65 -22.618 -7.062 -25.493 498 2HG2 VAL 65 HG22 VAL 65 -23.942 -7.163 -26.653 499 3HG2 VAL 65 HG21 VAL 65 -22.277 -7.028 -27.224 500 H ALA 66 HN ALA 66 -22.905 -2.480 -24.190 501 HA ALA 66 HA ALA 66 -24.898 -0.797 -25.592 502 1HB ALA 66 HB1 ALA 66 -25.388 -1.251 -23.075 503 2HB ALA 66 HB3 ALA 66 -24.005 -0.196 -22.769 504 3HB ALA 66 HB2 ALA 66 -25.407 0.418 -23.645 505 H LEU 67 HN LEU 67 -23.093 -0.594 -27.088 506 HA LEU 67 HA LEU 67 -20.529 0.391 -26.488 507 1HB LEU 67 HB2 LEU 67 -21.707 -0.512 -28.718 508 2HB LEU 67 HB1 LEU 67 -21.799 1.211 -29.054 509 HG LEU 67 HG LEU 67 -19.280 1.198 -28.353 510 1HD1 LEU 67 HD11 LEU 67 -19.498 -1.252 -27.646 511 2HD1 LEU 67 HD13 LEU 67 -19.475 -1.628 -29.370 512 3HD1 LEU 67 HD12 LEU 67 -18.097 -0.818 -28.625 513 1HD2 LEU 67 HD21 LEU 67 -20.543 0.455 -30.940 514 2HD2 LEU 67 HD23 LEU 67 -19.550 1.855 -30.516 515 3HD2 LEU 67 HD22 LEU 67 -18.793 0.289 -30.808 516 H ASP 68 HN ASP 68 -23.556 2.156 -26.848 517 HA ASP 68 HA ASP 68 -22.142 4.646 -26.105 518 1HB ASP 68 HB2 ASP 68 -22.727 4.583 -28.580 519 2HB ASP 68 HB1 ASP 68 -24.420 4.593 -28.102 520 H TYR 69 HN TYR 69 -22.915 3.769 -23.998 521 HA TYR 69 HA TYR 69 -25.783 3.991 -23.463 522 1HB TYR 69 HB2 TYR 69 -24.548 2.160 -22.412 523 2HB TYR 69 HB1 TYR 69 -23.450 3.306 -21.651 524 HD1 TYR 69 HD1 TYR 69 -27.072 2.413 -21.835 525 HD2 TYR 69 HD2 TYR 69 -23.913 4.093 -19.503 526 HE1 TYR 69 HE1 TYR 69 -28.568 2.512 -19.882 527 HE2 TYR 69 HE2 TYR 69 -25.415 4.194 -17.555 528 HH TYR 69 HH TYR 69 -27.672 4.167 -16.956 529 H LYS 70 HN LYS 70 -25.791 6.278 -24.085 530 HA LYS 70 HA LYS 70 -26.008 8.498 -23.597 531 1HB LYS 70 HB2 LYS 70 -25.587 7.646 -20.720 532 2HB LYS 70 HB1 LYS 70 -26.264 9.172 -21.271 533 1HG LYS 70 HG2 LYS 70 -28.308 8.273 -21.408 534 2HG LYS 70 HG1 LYS 70 -27.730 7.014 -22.487 535 1HD LYS 70 HD2 LYS 70 -27.275 5.544 -20.705 536 2HD LYS 70 HD1 LYS 70 -27.309 6.844 -19.520 537 1HE LYS 70 HE2 LYS 70 -29.328 5.543 -19.282 538 2HE LYS 70 HE1 LYS 70 -29.750 7.113 -19.956 539 1HZ LYS 70 HZ2 LYS 70 -29.171 5.128 -21.954 540 2HZ LYS 70 HZ1 LYS 70 -30.495 4.725 -20.954 541 3HZ LYS 70 HZ3 LYS 70 -30.500 6.189 -21.817 542 H LYS 71 HN LYS 71 -23.782 8.273 -24.725 543 HA LYS 71 HA LYS 71 -21.703 9.105 -25.091 544 1HB LYS 71 HB2 LYS 71 -22.590 10.899 -22.838 545 2HB LYS 71 HB1 LYS 71 -20.986 11.051 -23.541 546 1HG LYS 71 HG2 LYS 71 -23.443 11.038 -25.272 547 2HG LYS 71 HG1 LYS 71 -22.872 12.516 -24.502 548 1HD LYS 71 HD2 LYS 71 -20.638 12.146 -25.566 549 2HD LYS 71 HD1 LYS 71 -21.319 10.774 -26.433 550 1HE LYS 71 HE2 LYS 71 -22.384 13.589 -26.622 551 2HE LYS 71 HE1 LYS 71 -21.246 12.885 -27.765 552 1HZ LYS 71 HZ2 LYS 71 -23.388 11.111 -27.482 553 2HZ LYS 71 HZ1 LYS 71 -24.038 12.671 -27.731 554 3HZ LYS 71 HZ3 LYS 71 -22.932 12.018 -28.853 555 H LYS 72 HN LYS 72 -21.630 6.739 -23.940 556 HA LYS 72 HA LYS 72 -19.192 6.817 -22.298 557 1HB LYS 72 HB2 LYS 72 -21.534 4.980 -21.681 558 2HB LYS 72 HB1 LYS 72 -20.009 5.091 -20.800 559 1HG LYS 72 HG2 LYS 72 -20.607 7.543 -20.388 560 2HG LYS 72 HG1 LYS 72 -22.214 7.130 -20.970 561 1HD LYS 72 HD2 LYS 72 -22.016 5.202 -19.178 562 2HD LYS 72 HD1 LYS 72 -20.827 6.286 -18.457 563 1HE LYS 72 HE2 LYS 72 -23.780 6.598 -18.734 564 2HE LYS 72 HE1 LYS 72 -22.722 7.044 -17.403 565 1HZ LYS 72 HZ3 LYS 72 -22.880 8.495 -19.988 566 2HZ LYS 72 HZ2 LYS 72 -23.666 8.968 -18.558 567 3HZ LYS 72 HZ1 LYS 72 -21.963 8.949 -18.623 568 H LYS 73 HN LYS 73 -17.706 5.546 -23.208 569 HA LYS 73 HA LYS 73 -18.439 3.955 -25.510 570 1HB LYS 73 HB2 LYS 73 -15.906 3.851 -25.792 571 2HB LYS 73 HB1 LYS 73 -16.676 5.423 -25.980 572 1HG LYS 73 HG2 LYS 73 -15.758 6.268 -24.052 573 2HG LYS 73 HG1 LYS 73 -15.692 4.697 -23.259 574 1HD LYS 73 HD2 LYS 73 -13.443 5.351 -23.703 575 2HD LYS 73 HD1 LYS 73 -13.842 4.062 -24.837 576 1HE LYS 73 HE2 LYS 73 -13.219 5.409 -26.514 577 2HE LYS 73 HE1 LYS 73 -14.578 6.455 -26.130 578 1HZ LYS 73 HZ1 LYS 73 -11.934 6.662 -24.806 579 2HZ LYS 73 HZ3 LYS 73 -12.366 7.565 -26.182 580 3HZ LYS 73 HZ2 LYS 73 -13.227 7.773 -24.714 581 H HIS 74 HN HIS 74 -18.498 1.958 -25.578 582 HA HIS 74 HA HIS 74 -18.424 -0.288 -25.166 583 1HB HIS 74 HB2 HIS 74 -15.843 0.156 -23.684 584 2HB HIS 74 HB1 HIS 74 -16.331 -1.225 -24.653 585 HD1 HIS 74 HD1 HIS 74 -16.612 -0.543 -27.346 586 HD2 HIS 74 HD2 HIS 74 -14.233 1.871 -25.002 587 HE1 HIS 74 HE1 HIS 74 -15.202 0.731 -28.966 588 H VAL 75 HN VAL 75 -20.257 0.323 -23.637 589 HA VAL 75 HA VAL 75 -19.609 -0.544 -20.880 590 HB VAL 75 HB VAL 75 -21.953 1.104 -21.854 591 1HG1 VAL 75 HG11 VAL 75 -21.164 0.149 -19.102 592 2HG1 VAL 75 HG13 VAL 75 -22.322 1.450 -19.382 593 3HG1 VAL 75 HG12 VAL 75 -22.666 -0.177 -19.969 594 1HG2 VAL 75 HG21 VAL 75 -19.387 1.835 -20.483 595 2HG2 VAL 75 HG23 VAL 75 -20.099 2.539 -21.932 596 3HG2 VAL 75 HG22 VAL 75 -20.820 2.852 -20.350 597 H PHE 76 HN PHE 76 -20.601 -2.403 -20.153 598 HA PHE 76 HA PHE 76 -22.703 -3.543 -21.898 599 1HB PHE 76 HB2 PHE 76 -21.886 -5.817 -21.290 600 2HB PHE 76 HB1 PHE 76 -20.800 -4.898 -22.313 601 HD1 PHE 76 HD1 PHE 76 -18.690 -3.988 -21.407 602 HD2 PHE 76 HD2 PHE 76 -21.243 -6.528 -19.115 603 HE1 PHE 76 HE1 PHE 76 -16.829 -4.454 -19.855 604 HE2 PHE 76 HE2 PHE 76 -19.388 -6.994 -17.557 605 HZ PHE 76 HZ PHE 76 -17.176 -5.959 -17.931 606 H LYS 77 HN LYS 77 -24.449 -4.323 -20.984 607 HA LYS 77 HA LYS 77 -24.999 -3.611 -18.213 608 1HB LYS 77 HB2 LYS 77 -26.467 -3.429 -20.446 609 2HB LYS 77 HB1 LYS 77 -26.970 -5.036 -19.940 610 1HG LYS 77 HG2 LYS 77 -28.105 -4.267 -18.111 611 2HG LYS 77 HG1 LYS 77 -27.015 -2.905 -17.870 612 1HD LYS 77 HD2 LYS 77 -28.003 -1.828 -19.904 613 2HD LYS 77 HD1 LYS 77 -29.165 -3.145 -19.991 614 1HE LYS 77 HE2 LYS 77 -28.863 -1.361 -17.569 615 2HE LYS 77 HE1 LYS 77 -29.988 -1.029 -18.882 616 1HZ LYS 77 HZ3 LYS 77 -30.425 -3.666 -18.153 617 2HZ LYS 77 HZ2 LYS 77 -30.283 -2.799 -16.690 618 3HZ LYS 77 HZ1 LYS 77 -31.437 -2.327 -17.859 619 H LEU 78 HN LEU 78 -23.929 -5.060 -16.936 620 HA LEU 78 HA LEU 78 -24.182 -7.939 -17.379 621 1HB LEU 78 HB2 LEU 78 -21.995 -6.900 -16.819 622 2HB LEU 78 HB1 LEU 78 -22.638 -6.438 -15.258 623 HG LEU 78 HG LEU 78 -22.880 -8.693 -14.606 624 1HD1 LEU 78 HD11 LEU 78 -22.336 -9.319 -17.478 625 2HD1 LEU 78 HD13 LEU 78 -22.076 -10.526 -16.222 626 3HD1 LEU 78 HD12 LEU 78 -23.684 -9.845 -16.469 627 1HD2 LEU 78 HD21 LEU 78 -20.312 -7.751 -15.596 628 2HD2 LEU 78 HD23 LEU 78 -20.732 -8.478 -14.043 629 3HD2 LEU 78 HD22 LEU 78 -20.400 -9.505 -15.436 630 H ARG 79 HN ARG 79 -25.968 -8.858 -16.644 631 HA ARG 79 HA ARG 79 -27.079 -8.080 -14.005 632 1HB ARG 79 HB2 ARG 79 -28.621 -7.668 -15.891 633 2HB ARG 79 HB1 ARG 79 -28.503 -9.361 -16.353 634 1HG ARG 79 HG2 ARG 79 -29.469 -10.015 -14.172 635 2HG ARG 79 HG1 ARG 79 -29.592 -8.316 -13.724 636 1HD ARG 79 HD2 ARG 79 -30.867 -8.494 -16.219 637 2HD ARG 79 HD1 ARG 79 -31.374 -9.946 -15.354 638 HE ARG 79 HE ARG 79 -31.881 -8.188 -13.463 639 1HH1 ARG 79 HH21 ARG 79 -31.823 -5.662 -14.750 640 2HH1 ARG 79 HH22 ARG 79 -33.374 -5.487 -15.537 641 1HH2 ARG 79 HH11 ARG 79 -34.092 -8.942 -15.432 642 2HH2 ARG 79 HH12 ARG 79 -34.688 -7.372 -15.920 643 H LEU 80 HN LEU 80 -26.235 -9.450 -12.604 644 HA LEU 80 HA LEU 80 -25.262 -12.023 -13.129 645 1HB LEU 80 HB2 LEU 80 -25.937 -10.578 -10.570 646 2HB LEU 80 HB1 LEU 80 -25.170 -12.160 -10.617 647 HG LEU 80 HG LEU 80 -23.530 -10.970 -12.273 648 1HD1 LEU 80 HD23 LEU 80 -24.761 -8.685 -10.811 649 2HD1 LEU 80 HD22 LEU 80 -23.113 -8.626 -11.434 650 3HD1 LEU 80 HD21 LEU 80 -24.462 -8.868 -12.539 651 1HD2 LEU 80 HD12 LEU 80 -23.030 -11.957 -10.024 652 2HD2 LEU 80 HD11 LEU 80 -22.008 -10.592 -10.483 653 3HD2 LEU 80 HD13 LEU 80 -23.336 -10.360 -9.342 654 H SER 81 HN SER 81 -25.988 -13.889 -11.596 655 HA SER 81 HA SER 81 -28.555 -14.748 -12.507 656 1HB SER 81 HB2 SER 81 -26.171 -15.939 -11.582 657 2HB SER 81 HB1 SER 81 -27.441 -16.469 -10.494 658 HG SER 81 HG SER 81 -26.949 -17.209 -13.045 659 H ASP 82 HN ASP 82 -27.249 -13.856 -9.334 660 HA ASP 82 HA ASP 82 -29.464 -14.594 -7.767 661 1HB ASP 82 HB2 ASP 82 -28.516 -13.323 -5.994 662 2HB ASP 82 HB1 ASP 82 -27.175 -14.007 -6.900 663 H GLY 83 HN GLY 83 -28.781 -11.545 -9.433 664 1HA GLY 83 HA2 GLY 83 -31.120 -10.667 -10.261 665 2HA GLY 83 HA1 GLY 83 -31.332 -10.380 -8.534 666 H ASN 84 HN ASN 84 -28.294 -9.847 -8.404 667 HA ASN 84 HA ASN 84 -28.384 -7.018 -8.492 668 1HB ASN 84 HB2 ASN 84 -26.269 -9.084 -8.092 669 2HB ASN 84 HB1 ASN 84 -25.728 -7.473 -8.549 670 1HD2 ASN 84 HD22 ASN 84 -27.086 -8.190 -4.813 671 2HD2 ASN 84 HD21 ASN 84 -27.020 -9.426 -6.034 672 H GLU 85 HN GLU 85 -27.769 -5.533 -9.998 673 HA GLU 85 HA GLU 85 -26.670 -6.473 -12.565 674 1HB GLU 85 HB2 GLU 85 -28.679 -6.126 -13.580 675 2HB GLU 85 HB1 GLU 85 -29.368 -5.530 -12.075 676 1HG GLU 85 HG2 GLU 85 -28.686 -3.288 -12.561 677 2HG GLU 85 HG1 GLU 85 -27.739 -3.807 -13.957 678 H TYR 86 HN TYR 86 -25.026 -5.291 -13.246 679 HA TYR 86 HA TYR 86 -24.677 -2.519 -12.268 680 1HB TYR 86 HB2 TYR 86 -22.288 -4.313 -12.557 681 2HB TYR 86 HB1 TYR 86 -22.458 -2.833 -11.639 682 HD1 TYR 86 HD1 TYR 86 -23.503 -2.860 -9.405 683 HD2 TYR 86 HD2 TYR 86 -22.830 -6.451 -11.607 684 HE1 TYR 86 HE1 TYR 86 -23.748 -4.166 -7.334 685 HE2 TYR 86 HE2 TYR 86 -23.084 -7.767 -9.535 686 HH TYR 86 HH TYR 86 -23.481 -6.194 -6.373 687 H LEU 87 HN LEU 87 -23.430 -1.181 -13.632 688 HA LEU 87 HA LEU 87 -23.270 -2.071 -16.450 689 1HB LEU 87 HB2 LEU 87 -23.080 0.725 -15.290 690 2HB LEU 87 HB1 LEU 87 -23.089 0.305 -16.998 691 HG LEU 87 HG LEU 87 -25.329 0.083 -15.007 692 1HD1 LEU 87 HD13 LEU 87 -24.899 2.244 -16.184 693 2HD1 LEU 87 HD12 LEU 87 -25.228 1.418 -17.709 694 3HD1 LEU 87 HD11 LEU 87 -26.497 1.551 -16.491 695 1HD2 LEU 87 HD21 LEU 87 -24.995 -1.326 -17.636 696 2HD2 LEU 87 HD23 LEU 87 -25.680 -1.917 -16.123 697 3HD2 LEU 87 HD22 LEU 87 -26.597 -0.789 -17.122 698 H PHE 88 HN PHE 88 -21.294 -2.508 -17.263 699 HA PHE 88 HA PHE 88 -18.905 -1.566 -15.781 700 1HB PHE 88 HB2 PHE 88 -19.495 -4.144 -17.198 701 2HB PHE 88 HB1 PHE 88 -17.838 -3.621 -16.917 702 HD1 PHE 88 HD1 PHE 88 -17.199 -3.021 -14.479 703 HD2 PHE 88 HD2 PHE 88 -20.633 -5.310 -15.554 704 HE1 PHE 88 HE1 PHE 88 -17.297 -3.945 -12.193 705 HE2 PHE 88 HE2 PHE 88 -20.742 -6.227 -13.278 706 HZ PHE 88 HZ PHE 88 -19.039 -5.510 -11.575 707 H GLN 89 HN GLN 89 -17.678 -0.189 -16.821 708 HA GLN 89 HA GLN 89 -17.896 0.086 -19.758 709 1HB GLN 89 HB2 GLN 89 -18.405 2.084 -18.387 710 2HB GLN 89 HB1 GLN 89 -16.801 2.009 -17.707 711 1HG GLN 89 HG2 GLN 89 -16.495 1.978 -20.537 712 2HG GLN 89 HG1 GLN 89 -17.653 3.245 -20.153 713 1HE2 GLN 89 HE22 GLN 89 -13.732 3.760 -19.333 714 2HE2 GLN 89 HE21 GLN 89 -14.364 2.394 -20.200 715 H ALA 90 HN ALA 90 -16.283 -0.617 -20.973 716 HA ALA 90 HA ALA 90 -13.731 -1.424 -19.770 717 1HB ALA 90 HB1 ALA 90 -14.926 -2.925 -21.376 718 2HB ALA 90 HB3 ALA 90 -14.669 -1.715 -22.638 719 3HB ALA 90 HB2 ALA 90 -13.287 -2.514 -21.883 720 H LYS 91 HN LYS 91 -11.708 -0.821 -20.917 721 HA LYS 91 HA LYS 91 -11.719 2.061 -21.507 722 1HB LYS 91 HB2 LYS 91 -9.458 0.126 -20.994 723 2HB LYS 91 HB1 LYS 91 -9.268 1.857 -21.251 724 1HG LYS 91 HG2 LYS 91 -9.412 1.964 -18.997 725 2HG LYS 91 HG1 LYS 91 -11.142 1.881 -19.312 726 1HD LYS 91 HD2 LYS 91 -10.696 0.292 -17.604 727 2HD LYS 91 HD1 LYS 91 -10.968 -0.631 -19.076 728 1HE LYS 91 HE2 LYS 91 -8.421 -0.620 -19.349 729 2HE LYS 91 HE1 LYS 91 -8.352 -0.045 -17.687 730 1HZ LYS 91 HZ2 LYS 91 -9.786 -2.054 -17.152 731 2HZ LYS 91 HZ1 LYS 91 -9.388 -2.629 -18.701 732 3HZ LYS 91 HZ3 LYS 91 -8.159 -2.356 -17.554 733 H ASP 92 HN ASP 92 -11.761 -0.821 -23.204 734 HA ASP 92 HA ASP 92 -11.215 0.520 -25.730 735 1HB ASP 92 HB2 ASP 92 -8.984 -0.364 -24.831 736 2HB ASP 92 HB1 ASP 92 -9.637 -1.978 -25.097 737 H ASP 93 HN ASP 93 -11.939 -0.641 -27.564 738 HA ASP 93 HA ASP 93 -14.328 -2.121 -27.217 739 1HB ASP 93 HB2 ASP 93 -13.493 -0.742 -29.263 740 2HB ASP 93 HB1 ASP 93 -12.679 -2.224 -29.744 741 H GLU 94 HN GLU 94 -11.006 -3.151 -27.961 742 HA GLU 94 HA GLU 94 -11.533 -5.917 -28.375 743 1HB GLU 94 HB2 GLU 94 -9.024 -4.553 -27.362 744 2HB GLU 94 HB1 GLU 94 -9.118 -6.213 -27.944 745 1HG GLU 94 HG2 GLU 94 -9.770 -5.427 -30.167 746 2HG GLU 94 HG1 GLU 94 -9.749 -3.756 -29.600 747 H GLU 95 HN GLU 95 -10.698 -4.026 -25.509 748 HA GLU 95 HA GLU 95 -10.483 -6.150 -23.653 749 1HB GLU 95 HB2 GLU 95 -9.867 -3.596 -23.469 750 2HB GLU 95 HB1 GLU 95 -11.503 -3.451 -22.846 751 1HG GLU 95 HG2 GLU 95 -10.709 -5.492 -21.319 752 2HG GLU 95 HG1 GLU 95 -9.119 -4.819 -21.665 753 H MET 96 HN MET 96 -13.206 -4.085 -24.598 754 HA MET 96 HA MET 96 -15.164 -5.013 -22.823 755 1HB MET 96 HB2 MET 96 -15.255 -3.041 -24.441 756 2HB MET 96 HB1 MET 96 -15.701 -4.202 -25.681 757 1HG MET 96 HG2 MET 96 -17.549 -4.910 -23.948 758 2HG MET 96 HG1 MET 96 -17.240 -3.324 -23.260 759 1HE MET 96 HE2 MET 96 -18.158 -5.353 -26.359 760 2HE MET 96 HE1 MET 96 -18.968 -4.214 -27.430 761 3HE MET 96 HE3 MET 96 -17.205 -4.194 -27.284 762 H ASN 97 HN ASN 97 -14.353 -6.183 -26.103 763 HA ASN 97 HA ASN 97 -16.305 -8.234 -26.209 764 1HB ASN 97 HB2 ASN 97 -14.741 -7.163 -28.061 765 2HB ASN 97 HB1 ASN 97 -13.686 -8.509 -27.651 766 1HD2 ASN 97 HD22 ASN 97 -16.452 -9.220 -30.300 767 2HD2 ASN 97 HD21 ASN 97 -15.564 -7.750 -29.999 768 H THR 98 HN THR 98 -12.915 -8.230 -25.136 769 HA THR 98 HA THR 98 -12.658 -11.006 -24.630 770 HB THR 98 HB THR 98 -11.207 -8.771 -23.196 771 HG1 THR 98 HG1 THR 98 -10.732 -8.265 -25.217 772 1HG2 THR 98 HG23 THR 98 -10.898 -11.172 -22.416 773 2HG2 THR 98 HG22 THR 98 -10.170 -11.495 -23.989 774 3HG2 THR 98 HG21 THR 98 -9.430 -10.322 -22.899 775 H TRP 99 HN TRP 99 -13.761 -8.319 -22.576 776 HA TRP 99 HA TRP 99 -13.968 -9.765 -20.139 777 1HB TRP 99 HB2 TRP 99 -15.047 -7.174 -21.184 778 2HB TRP 99 HB1 TRP 99 -15.810 -7.858 -19.758 779 HD1 TRP 99 HD1 TRP 99 -13.032 -5.605 -20.660 780 HE1 TRP 99 HE1 TRP 99 -11.451 -5.296 -18.679 781 HE3 TRP 99 HE3 TRP 99 -14.655 -9.427 -17.645 782 HZ2 TRP 99 HZ2 TRP 99 -10.941 -6.466 -16.172 783 HZ3 TRP 99 HZ3 TRP 99 -13.571 -9.764 -15.457 784 HH2 TRP 99 HH2 TRP 99 -11.736 -8.301 -14.727 785 H ILE 100 HN ILE 100 -16.401 -8.970 -22.622 786 HA ILE 100 HA ILE 100 -18.584 -10.308 -21.425 787 HB ILE 100 HB ILE 100 -18.027 -9.601 -24.313 788 1HG1 ILE 100 HG12 ILE 100 -19.727 -8.294 -22.177 789 2HG1 ILE 100 HG11 ILE 100 -18.199 -7.690 -22.789 790 1HG2 ILE 100 HG21 ILE 100 -20.483 -10.785 -23.026 791 2HG2 ILE 100 HG23 ILE 100 -20.581 -9.825 -24.504 792 3HG2 ILE 100 HG22 ILE 100 -19.639 -11.313 -24.483 793 1HD1 ILE 100 HD11 ILE 100 -20.445 -8.194 -24.701 794 2HD1 ILE 100 HD13 ILE 100 -20.450 -6.730 -23.715 795 3HD1 ILE 100 HD12 ILE 100 -19.107 -7.055 -24.820 796 H GLN 101 HN GLN 101 -16.075 -11.442 -23.671 797 HA GLN 101 HA GLN 101 -17.173 -14.027 -24.171 798 1HB GLN 101 HB2 GLN 101 -14.419 -12.837 -24.430 799 2HB GLN 101 HB1 GLN 101 -14.681 -14.562 -24.685 800 1HG GLN 101 HG2 GLN 101 -16.383 -14.037 -26.398 801 2HG GLN 101 HG1 GLN 101 -16.071 -12.320 -26.170 802 1HE2 GLN 101 HE22 GLN 101 -13.518 -12.358 -28.526 803 2HE2 GLN 101 HE21 GLN 101 -14.857 -11.548 -27.757 804 H ALA 102 HN ALA 102 -14.881 -12.802 -21.737 805 HA ALA 102 HA ALA 102 -14.252 -15.296 -20.525 806 1HB ALA 102 HB3 ALA 102 -12.929 -13.232 -20.176 807 2HB ALA 102 HB2 ALA 102 -14.271 -12.536 -19.269 808 3HB ALA 102 HB1 ALA 102 -13.433 -13.958 -18.650 809 H ILE 103 HN ILE 103 -16.724 -12.847 -19.815 810 HA ILE 103 HA ILE 103 -17.850 -14.112 -17.536 811 HB ILE 103 HB ILE 103 -18.814 -12.040 -19.504 812 1HG1 ILE 103 HG12 ILE 103 -18.518 -11.663 -16.549 813 2HG1 ILE 103 HG11 ILE 103 -17.074 -11.719 -17.554 814 1HG2 ILE 103 HG22 ILE 103 -20.436 -13.383 -17.362 815 2HG2 ILE 103 HG21 ILE 103 -20.687 -11.675 -17.713 816 3HG2 ILE 103 HG23 ILE 103 -20.914 -12.874 -18.982 817 1HD1 ILE 103 HD12 ILE 103 -19.203 -9.973 -18.599 818 2HD1 ILE 103 HD11 ILE 103 -18.531 -9.462 -17.052 819 3HD1 ILE 103 HD13 ILE 103 -17.470 -9.680 -18.443 820 H SER 104 HN SER 104 -18.416 -14.492 -21.001 821 HA SER 104 HA SER 104 -20.787 -16.114 -20.738 822 1HB SER 104 HB2 SER 104 -18.873 -15.821 -23.068 823 2HB SER 104 HB1 SER 104 -20.484 -16.529 -23.129 824 HG SER 104 HG SER 104 -19.838 -13.825 -22.471 825 H SER 105 HN SER 105 -17.348 -16.695 -20.690 826 HA SER 105 HA SER 105 -17.564 -19.555 -21.135 827 1HB SER 105 HB2 SER 105 -15.217 -17.806 -20.369 828 2HB SER 105 HB1 SER 105 -15.116 -19.534 -20.702 829 HG SER 105 HG SER 105 -14.905 -17.652 -22.473 830 H ALA 106 HN ALA 106 -16.113 -17.714 -18.389 831 HA ALA 106 HA ALA 106 -17.667 -19.012 -16.390 832 1HB ALA 106 HB1 ALA 106 -14.886 -20.115 -16.869 833 2HB ALA 106 HB3 ALA 106 -15.828 -20.403 -15.404 834 3HB ALA 106 HB2 ALA 106 -16.404 -21.006 -16.957 No H/Q in entry = 834 Start of MODEL 36 1 1H MET 1 HT3 MET 1 -8.100 -13.424 -16.124 2 2H MET 1 HT2 MET 1 -9.700 -13.980 -16.307 3 3H MET 1 HT1 MET 1 -8.678 -13.845 -17.670 4 HA MET 1 HA MET 1 -8.745 -11.562 -17.690 5 1HB MET 1 HB2 MET 1 -10.978 -12.872 -18.144 6 2HB MET 1 HB1 MET 1 -11.530 -12.066 -16.680 7 1HG MET 1 HG2 MET 1 -12.169 -10.702 -18.528 8 2HG MET 1 HG1 MET 1 -10.837 -9.887 -17.719 9 1HE MET 1 HE3 MET 1 -9.887 -8.383 -19.366 10 2HE MET 1 HE2 MET 1 -9.640 -8.720 -21.078 11 3HE MET 1 HE1 MET 1 -11.278 -8.645 -20.430 12 H GLU 2 HN GLU 2 -7.603 -10.384 -16.251 13 HA GLU 2 HA GLU 2 -8.968 -9.513 -13.776 14 1HB GLU 2 HB2 GLU 2 -6.001 -10.087 -13.826 15 2HB GLU 2 HB1 GLU 2 -7.027 -9.775 -12.436 16 1HG GLU 2 HG2 GLU 2 -6.856 -12.044 -12.218 17 2HG GLU 2 HG1 GLU 2 -8.246 -11.994 -13.295 18 H GLY 3 HN GLY 3 -8.782 -7.349 -13.420 19 1HA GLY 3 HA2 GLY 3 -6.778 -5.600 -13.910 20 2HA GLY 3 HA1 GLY 3 -7.579 -5.663 -15.448 21 H PHE 4 HN PHE 4 -7.802 -3.311 -14.780 22 HA PHE 4 HA PHE 4 -9.841 -2.699 -12.806 23 1HB PHE 4 HB2 PHE 4 -8.091 -1.079 -14.622 24 2HB PHE 4 HB1 PHE 4 -9.478 -0.334 -13.844 25 HD1 PHE 4 HD1 PHE 4 -9.662 -0.396 -11.344 26 HD2 PHE 4 HD2 PHE 4 -6.084 -1.464 -13.420 27 HE1 PHE 4 HE1 PHE 4 -8.369 -0.096 -9.273 28 HE2 PHE 4 HE2 PHE 4 -4.791 -1.156 -11.347 29 HZ PHE 4 HZ PHE 4 -5.936 -0.477 -9.272 30 H LEU 5 HN LEU 5 -11.820 -1.745 -13.203 31 HA LEU 5 HA LEU 5 -12.890 -1.535 -15.906 32 1HB LEU 5 HB2 LEU 5 -13.538 -3.764 -14.046 33 2HB LEU 5 HB1 LEU 5 -14.918 -2.975 -14.797 34 HG LEU 5 HG LEU 5 -12.602 -4.281 -16.216 35 1HD1 LEU 5 HD13 LEU 5 -15.394 -5.063 -15.556 36 2HD1 LEU 5 HD12 LEU 5 -14.776 -5.525 -17.141 37 3HD1 LEU 5 HD11 LEU 5 -13.945 -6.057 -15.679 38 1HD2 LEU 5 HD22 LEU 5 -14.731 -2.431 -17.157 39 2HD2 LEU 5 HD21 LEU 5 -13.089 -2.662 -17.763 40 3HD2 LEU 5 HD23 LEU 5 -14.351 -3.820 -18.179 41 H ASN 6 HN ASN 6 -14.668 -0.175 -15.974 42 HA ASN 6 HA ASN 6 -15.186 1.426 -13.588 43 1HB ASN 6 HB2 ASN 6 -15.281 1.896 -16.395 44 2HB ASN 6 HB1 ASN 6 -16.916 2.098 -15.786 45 1HD2 ASN 6 HD22 ASN 6 -14.294 5.032 -15.243 46 2HD2 ASN 6 HD21 ASN 6 -14.105 3.710 -16.350 47 H ARG 7 HN ARG 7 -16.701 0.857 -12.180 48 HA ARG 7 HA ARG 7 -18.899 -0.929 -13.066 49 1HB ARG 7 HB2 ARG 7 -17.284 -1.954 -11.519 50 2HB ARG 7 HB1 ARG 7 -17.582 -0.670 -10.354 51 1HG ARG 7 HG2 ARG 7 -19.964 -1.385 -10.228 52 2HG ARG 7 HG1 ARG 7 -19.598 -2.708 -11.336 53 1HD ARG 7 HD2 ARG 7 -17.951 -3.582 -9.696 54 2HD ARG 7 HD1 ARG 7 -18.386 -2.278 -8.589 55 HE ARG 7 HE ARG 7 -20.413 -4.234 -9.518 56 1HH1 ARG 7 HH21 ARG 7 -20.873 -1.936 -7.445 57 2HH1 ARG 7 HH22 ARG 7 -20.908 -2.842 -5.956 58 1HH2 ARG 7 HH11 ARG 7 -19.471 -5.718 -7.391 59 2HH2 ARG 7 HH12 ARG 7 -20.129 -5.023 -5.940 60 H LYS 8 HN LYS 8 -20.934 -0.348 -12.707 61 HA LYS 8 HA LYS 8 -21.559 1.929 -10.931 62 1HB LYS 8 HB2 LYS 8 -21.501 2.819 -13.190 63 2HB LYS 8 HB1 LYS 8 -22.536 1.528 -13.768 64 1HG LYS 8 HG2 LYS 8 -23.834 2.857 -11.575 65 2HG LYS 8 HG1 LYS 8 -23.293 4.056 -12.740 66 1HD LYS 8 HD2 LYS 8 -24.621 3.212 -14.445 67 2HD LYS 8 HD1 LYS 8 -24.726 1.615 -13.712 68 1HE LYS 8 HE2 LYS 8 -26.865 2.765 -13.540 69 2HE LYS 8 HE1 LYS 8 -26.171 2.514 -11.942 70 1HZ LYS 8 HZ2 LYS 8 -25.330 5.009 -12.967 71 2HZ LYS 8 HZ1 LYS 8 -27.027 4.889 -13.075 72 3HZ LYS 8 HZ3 LYS 8 -26.260 4.664 -11.571 73 H HIS 9 HN HIS 9 -22.662 0.897 -9.367 74 HA HIS 9 HA HIS 9 -24.435 -1.334 -9.955 75 1HB HIS 9 HB2 HIS 9 -24.833 -1.373 -7.499 76 2HB HIS 9 HB1 HIS 9 -23.147 -1.546 -7.943 77 HD1 HIS 9 HD1 HIS 9 -23.683 -0.775 -5.145 78 HD2 HIS 9 HD2 HIS 9 -23.286 2.078 -8.111 79 HE1 HIS 9 HE1 HIS 9 -22.990 1.315 -3.954 80 H GLU 10 HN GLU 10 -26.366 -0.965 -10.734 81 HA GLU 10 HA GLU 10 -27.789 1.531 -10.122 82 1HB GLU 10 HB2 GLU 10 -29.370 0.669 -11.916 83 2HB GLU 10 HB1 GLU 10 -27.756 1.114 -12.428 84 1HG GLU 10 HG2 GLU 10 -27.070 -1.124 -12.700 85 2HG GLU 10 HG1 GLU 10 -28.439 -1.738 -11.776 86 H TRP 11 HN TRP 11 -28.109 -1.932 -9.865 87 HA TRP 11 HA TRP 11 -30.219 -1.595 -7.846 88 1HB TRP 11 HB2 TRP 11 -31.320 -1.959 -10.024 89 2HB TRP 11 HB1 TRP 11 -30.396 -3.435 -10.231 90 HD1 TRP 11 HD1 TRP 11 -33.257 -2.021 -7.974 91 HE1 TRP 11 HE1 TRP 11 -34.615 -4.029 -7.153 92 HE3 TRP 11 HE3 TRP 11 -30.372 -5.849 -9.774 93 HZ2 TRP 11 HZ2 TRP 11 -34.486 -6.833 -7.204 94 HZ3 TRP 11 HZ3 TRP 11 -31.035 -8.173 -9.331 95 HH2 TRP 11 HH2 TRP 11 -33.073 -8.661 -8.055 96 H GLU 12 HN GLU 12 -28.872 -2.218 -6.244 97 HA GLU 12 HA GLU 12 -27.893 -5.011 -6.262 98 1HB GLU 12 HB2 GLU 12 -26.149 -4.226 -4.599 99 2HB GLU 12 HB1 GLU 12 -25.920 -3.677 -6.257 100 1HG GLU 12 HG2 GLU 12 -26.413 -1.485 -5.759 101 2HG GLU 12 HG1 GLU 12 -27.471 -1.910 -4.414 102 H ALA 13 HN ALA 13 -30.280 -3.253 -5.276 103 HA ALA 13 HA ALA 13 -30.619 -4.581 -2.659 104 1HB ALA 13 HB2 ALA 13 -31.590 -1.823 -3.481 105 2HB ALA 13 HB1 ALA 13 -31.980 -2.635 -1.965 106 3HB ALA 13 HB3 ALA 13 -30.317 -2.156 -2.303 107 H HIS 14 HN HIS 14 -32.514 -5.681 -2.484 108 HA HIS 14 HA HIS 14 -33.861 -6.371 -4.866 109 1HB HIS 14 HB2 HIS 14 -33.501 -7.578 -2.499 110 2HB HIS 14 HB1 HIS 14 -35.150 -7.015 -2.267 111 HD1 HIS 14 HD1 HIS 14 -34.395 -10.040 -2.564 112 HD2 HIS 14 HD2 HIS 14 -35.745 -7.630 -5.640 113 HE1 HIS 14 HE1 HIS 14 -35.367 -11.623 -4.246 114 H ASN 15 HN ASN 15 -34.243 -3.422 -4.013 115 HA ASN 15 HA ASN 15 -36.858 -3.181 -5.045 116 1HB ASN 15 HB2 ASN 15 -37.438 -4.003 -2.716 117 2HB ASN 15 HB1 ASN 15 -36.763 -2.504 -2.094 118 1HD2 ASN 15 HD22 ASN 15 -40.299 -2.445 -4.184 119 2HD2 ASN 15 HD21 ASN 15 -39.204 -3.795 -4.321 120 H LYS 16 HN LYS 16 -34.957 -1.368 -2.600 121 HA LYS 16 HA LYS 16 -35.668 1.153 -3.733 122 1HB LYS 16 HB2 LYS 16 -33.576 0.439 -1.684 123 2HB LYS 16 HB1 LYS 16 -34.094 2.081 -2.066 124 1HG LYS 16 HG2 LYS 16 -36.486 1.208 -1.562 125 2HG LYS 16 HG1 LYS 16 -35.666 -0.126 -0.759 126 1HD LYS 16 HD2 LYS 16 -35.082 2.763 -0.113 127 2HD LYS 16 HD1 LYS 16 -36.329 1.833 0.715 128 1HE LYS 16 HE2 LYS 16 -34.577 0.148 1.313 129 2HE LYS 16 HE1 LYS 16 -33.367 1.240 0.645 130 1HZ LYS 16 HZ2 LYS 16 -35.096 2.574 2.481 131 2HZ LYS 16 HZ1 LYS 16 -34.332 1.232 3.206 132 3HZ LYS 16 HZ3 LYS 16 -33.392 2.457 2.482 133 H LYS 17 HN LYS 17 -33.487 -0.958 -5.043 134 HA LYS 17 HA LYS 17 -31.814 -0.739 -6.617 135 1HB LYS 17 HB2 LYS 17 -32.703 2.140 -6.878 136 2HB LYS 17 HB1 LYS 17 -31.886 1.154 -8.078 137 1HG LYS 17 HG2 LYS 17 -34.240 -0.255 -7.410 138 2HG LYS 17 HG1 LYS 17 -34.708 1.432 -7.560 139 1HD LYS 17 HD2 LYS 17 -33.123 1.182 -9.752 140 2HD LYS 17 HD1 LYS 17 -33.761 -0.453 -9.633 141 1HE LYS 17 HE2 LYS 17 -35.299 2.121 -9.943 142 2HE LYS 17 HE1 LYS 17 -35.241 0.759 -11.055 143 1HZ LYS 17 HZ2 LYS 17 -36.204 -0.509 -9.009 144 2HZ LYS 17 HZ1 LYS 17 -36.716 1.044 -8.532 145 3HZ LYS 17 HZ3 LYS 17 -37.226 0.401 -10.028 146 H ALA 18 HN ALA 18 -30.200 1.396 -7.293 147 HA ALA 18 HA ALA 18 -28.869 2.374 -4.870 148 1HB ALA 18 HB2 ALA 18 -27.503 0.598 -6.912 149 2HB ALA 18 HB1 ALA 18 -26.666 1.516 -5.656 150 3HB ALA 18 HB3 ALA 18 -27.786 0.228 -5.211 151 H SER 19 HN SER 19 -28.397 4.453 -5.204 152 HA SER 19 HA SER 19 -27.330 5.394 -7.749 153 1HB SER 19 HB2 SER 19 -29.975 6.445 -6.697 154 2HB SER 19 HB1 SER 19 -29.064 7.129 -8.042 155 HG SER 19 HG SER 19 -29.449 4.453 -8.361 156 H SER 20 HN SER 20 -25.586 6.419 -6.990 157 HA SER 20 HA SER 20 -25.858 8.752 -5.313 158 1HB SER 20 HB2 SER 20 -24.217 7.925 -3.586 159 2HB SER 20 HB1 SER 20 -25.795 7.148 -3.516 160 HG SER 20 HG SER 20 -24.936 5.277 -4.135 161 H ARG 21 HN ARG 21 -25.086 8.820 -7.821 162 HA ARG 21 HA ARG 21 -23.458 9.497 -9.286 163 1HB ARG 21 HB2 ARG 21 -21.784 9.900 -6.784 164 2HB ARG 21 HB1 ARG 21 -21.365 10.467 -8.394 165 1HG ARG 21 HG2 ARG 21 -22.760 12.224 -8.290 166 2HG ARG 21 HG1 ARG 21 -24.044 11.298 -7.522 167 1HD ARG 21 HD2 ARG 21 -21.572 12.166 -6.020 168 2HD ARG 21 HD1 ARG 21 -23.002 13.194 -6.150 169 HE ARG 21 HE ARG 21 -23.941 10.741 -5.271 170 1HH1 ARG 21 HH21 ARG 21 -21.477 10.321 -3.691 171 2HH1 ARG 21 HH22 ARG 21 -21.816 11.167 -2.201 172 1HH2 ARG 21 HH11 ARG 21 -24.429 13.104 -3.593 173 2HH2 ARG 21 HH12 ARG 21 -23.503 12.773 -2.140 174 H SER 22 HN SER 22 -23.860 6.930 -9.198 175 HA SER 22 HA SER 22 -21.586 5.299 -8.600 176 1HB SER 22 HB2 SER 22 -23.978 4.657 -10.314 177 2HB SER 22 HB1 SER 22 -22.906 3.518 -9.505 178 HG SER 22 HG SER 22 -23.616 4.770 -7.505 179 H TRP 23 HN TRP 23 -19.869 4.986 -9.755 180 HA TRP 23 HA TRP 23 -19.436 4.117 -12.234 181 1HB TRP 23 HB2 TRP 23 -19.984 7.050 -12.422 182 2HB TRP 23 HB1 TRP 23 -18.556 6.487 -13.274 183 HD1 TRP 23 HD1 TRP 23 -21.805 7.360 -14.290 184 HE1 TRP 23 HE1 TRP 23 -22.737 5.886 -16.153 185 HE3 TRP 23 HE3 TRP 23 -18.591 3.363 -13.990 186 HZ2 TRP 23 HZ2 TRP 23 -22.240 3.383 -17.348 187 HZ3 TRP 23 HZ3 TRP 23 -18.874 1.477 -15.518 188 HH2 TRP 23 HH2 TRP 23 -20.678 1.478 -17.197 189 H HIS 24 HN HIS 24 -18.063 3.288 -10.532 190 HA HIS 24 HA HIS 24 -15.631 4.905 -10.008 191 1HB HIS 24 HB2 HIS 24 -15.309 3.094 -8.151 192 2HB HIS 24 HB1 HIS 24 -16.425 4.421 -7.882 193 HD1 HIS 24 HD1 HIS 24 -18.982 3.832 -7.963 194 HD2 HIS 24 HD2 HIS 24 -16.459 0.554 -8.135 195 HE1 HIS 24 HE1 HIS 24 -20.455 1.855 -7.500 196 H ASN 25 HN ASN 25 -13.638 4.046 -10.399 197 HA ASN 25 HA ASN 25 -13.498 1.792 -12.258 198 1HB ASN 25 HB2 ASN 25 -12.271 3.999 -12.616 199 2HB ASN 25 HB1 ASN 25 -11.218 3.540 -11.281 200 1HD2 ASN 25 HD22 ASN 25 -9.192 2.214 -13.861 201 2HD2 ASN 25 HD21 ASN 25 -9.449 3.550 -12.774 202 H VAL 26 HN VAL 26 -13.860 0.011 -10.985 203 HA VAL 26 HA VAL 26 -12.111 -0.489 -8.662 204 HB VAL 26 HB VAL 26 -14.628 -0.626 -8.494 205 1HG1 VAL 26 HG12 VAL 26 -14.699 -1.921 -10.786 206 2HG1 VAL 26 HG11 VAL 26 -14.495 -3.332 -9.749 207 3HG1 VAL 26 HG13 VAL 26 -15.875 -2.262 -9.517 208 1HG2 VAL 26 HG21 VAL 26 -12.888 -1.798 -7.006 209 2HG2 VAL 26 HG23 VAL 26 -14.567 -2.329 -6.916 210 3HG2 VAL 26 HG22 VAL 26 -13.392 -3.275 -7.832 211 H TYR 27 HN TYR 27 -11.243 -2.686 -8.425 212 HA TYR 27 HA TYR 27 -10.220 -3.699 -10.984 213 1HB TYR 27 HB2 TYR 27 -8.733 -3.082 -9.013 214 2HB TYR 27 HB1 TYR 27 -9.348 -4.520 -8.220 215 HD1 TYR 27 HD1 TYR 27 -7.561 -3.322 -11.233 216 HD2 TYR 27 HD2 TYR 27 -8.461 -6.649 -8.721 217 HE1 TYR 27 HE1 TYR 27 -5.895 -4.672 -12.435 218 HE2 TYR 27 HE2 TYR 27 -6.786 -7.994 -9.914 219 HH TYR 27 HH TYR 27 -4.946 -6.678 -12.654 220 H CYS 28 HN CYS 28 -11.200 -5.356 -11.894 221 HA CYS 28 HA CYS 28 -12.817 -7.217 -10.259 222 1HB CYS 28 HB2 CYS 28 -12.882 -6.686 -13.240 223 2HB CYS 28 HB1 CYS 28 -13.962 -7.759 -12.356 224 HG CYS 28 HG CYS 28 -13.956 -4.738 -11.643 225 H VAL 29 HN VAL 29 -12.325 -9.319 -10.148 226 HA VAL 29 HA VAL 29 -10.272 -10.463 -11.943 227 HB VAL 29 HB VAL 29 -10.378 -10.715 -8.932 228 1HG1 VAL 29 HG13 VAL 29 -8.894 -12.254 -11.017 229 2HG1 VAL 29 HG12 VAL 29 -8.096 -11.916 -9.480 230 3HG1 VAL 29 HG11 VAL 29 -9.616 -12.811 -9.508 231 1HG2 VAL 29 HG22 VAL 29 -8.532 -9.286 -10.807 232 2HG2 VAL 29 HG21 VAL 29 -9.332 -8.679 -9.357 233 3HG2 VAL 29 HG23 VAL 29 -7.989 -9.814 -9.216 234 H ILE 30 HN ILE 30 -11.213 -12.112 -12.971 235 HA ILE 30 HA ILE 30 -13.351 -13.674 -11.644 236 HB ILE 30 HB ILE 30 -12.519 -13.973 -14.525 237 1HG1 ILE 30 HG12 ILE 30 -14.379 -11.869 -13.396 238 2HG1 ILE 30 HG11 ILE 30 -12.893 -11.596 -14.299 239 1HG2 ILE 30 HG23 ILE 30 -15.070 -14.450 -12.976 240 2HG2 ILE 30 HG22 ILE 30 -14.967 -14.545 -14.734 241 3HG2 ILE 30 HG21 ILE 30 -14.028 -15.653 -13.729 242 1HD1 ILE 30 HD11 ILE 30 -14.191 -13.095 -16.099 243 2HD1 ILE 30 HD13 ILE 30 -15.584 -12.396 -15.265 244 3HD1 ILE 30 HD12 ILE 30 -14.381 -11.344 -16.011 245 H ASN 31 HN ASN 31 -12.907 -15.680 -10.900 246 HA ASN 31 HA ASN 31 -10.479 -17.058 -11.911 247 1HB ASN 31 HB2 ASN 31 -10.305 -15.919 -9.558 248 2HB ASN 31 HB1 ASN 31 -11.284 -17.277 -9.013 249 1HD2 ASN 31 HD22 ASN 31 -8.717 -19.695 -9.450 250 2HD2 ASN 31 HD21 ASN 31 -10.429 -19.421 -9.311 251 H ASN 32 HN ASN 32 -12.757 -17.624 -13.089 252 HA ASN 32 HA ASN 32 -14.051 -19.373 -13.757 253 1HB ASN 32 HB2 ASN 32 -11.944 -20.673 -13.036 254 2HB ASN 32 HB1 ASN 32 -12.858 -21.107 -11.593 255 1HD2 ASN 32 HD22 ASN 32 -14.180 -22.474 -15.240 256 2HD2 ASN 32 HD21 ASN 32 -13.366 -20.946 -15.117 257 H GLN 33 HN GLN 33 -16.139 -19.505 -13.442 258 HA GLN 33 HA GLN 33 -18.196 -19.752 -12.509 259 1HB GLN 33 HB2 GLN 33 -16.878 -20.527 -9.904 260 2HB GLN 33 HB1 GLN 33 -18.514 -20.891 -10.443 261 1HG GLN 33 HG2 GLN 33 -17.465 -22.186 -12.366 262 2HG GLN 33 HG1 GLN 33 -15.920 -21.997 -11.541 263 1HE2 GLN 33 HE22 GLN 33 -16.718 -24.204 -8.871 264 2HE2 GLN 33 HE21 GLN 33 -15.782 -22.807 -9.320 265 H GLU 34 HN GLU 34 -15.919 -18.074 -10.302 266 HA GLU 34 HA GLU 34 -17.976 -15.994 -9.893 267 1HB GLU 34 HB2 GLU 34 -17.168 -15.847 -7.507 268 2HB GLU 34 HB1 GLU 34 -18.070 -17.304 -7.909 269 1HG GLU 34 HG2 GLU 34 -16.205 -18.677 -7.801 270 2HG GLU 34 HG1 GLU 34 -15.081 -17.359 -8.120 271 H MET 35 HN MET 35 -17.049 -14.005 -8.954 272 HA MET 35 HA MET 35 -14.248 -13.483 -9.683 273 1HB MET 35 HB2 MET 35 -14.872 -11.408 -10.811 274 2HB MET 35 HB1 MET 35 -15.638 -12.782 -11.599 275 1HG MET 35 HG2 MET 35 -17.704 -12.289 -10.246 276 2HG MET 35 HG1 MET 35 -16.919 -10.811 -9.706 277 1HE MET 35 HE3 MET 35 -18.867 -9.606 -10.323 278 2HE MET 35 HE2 MET 35 -19.070 -8.846 -11.900 279 3HE MET 35 HE1 MET 35 -19.875 -10.375 -11.561 280 H GLY 36 HN GLY 36 -13.375 -11.599 -8.632 281 1HA GLY 36 HA2 GLY 36 -14.854 -10.776 -6.191 282 2HA GLY 36 HA1 GLY 36 -13.131 -11.130 -6.198 283 H PHE 37 HN PHE 37 -14.864 -8.661 -5.690 284 HA PHE 37 HA PHE 37 -13.723 -6.741 -7.612 285 1HB PHE 37 HB2 PHE 37 -15.795 -6.447 -5.424 286 2HB PHE 37 HB1 PHE 37 -15.192 -5.109 -6.396 287 HD1 PHE 37 HD1 PHE 37 -15.387 -5.407 -8.995 288 HD2 PHE 37 HD2 PHE 37 -17.678 -7.593 -6.124 289 HE1 PHE 37 HE1 PHE 37 -17.079 -5.904 -10.715 290 HE2 PHE 37 HE2 PHE 37 -19.365 -8.086 -7.845 291 HZ PHE 37 HZ PHE 37 -19.056 -7.224 -10.158 292 H TYR 38 HN TYR 38 -11.688 -6.192 -7.082 293 HA TYR 38 HA TYR 38 -11.003 -5.670 -4.240 294 1HB TYR 38 HB2 TYR 38 -9.193 -6.411 -6.549 295 2HB TYR 38 HB1 TYR 38 -8.679 -6.115 -4.897 296 HD1 TYR 38 HD1 TYR 38 -9.531 -7.632 -3.068 297 HD2 TYR 38 HD2 TYR 38 -9.930 -8.550 -7.212 298 HE1 TYR 38 HE1 TYR 38 -9.859 -10.006 -2.504 299 HE2 TYR 38 HE2 TYR 38 -10.258 -10.924 -6.656 300 HH TYR 38 HH TYR 38 -9.925 -12.124 -3.352 301 H LYS 39 HN LYS 39 -8.969 -4.126 -4.198 302 HA LYS 39 HA LYS 39 -9.844 -1.593 -5.335 303 1HB LYS 39 HB2 LYS 39 -8.954 -1.899 -2.974 304 2HB LYS 39 HB1 LYS 39 -7.360 -2.122 -3.688 305 1HG LYS 39 HG2 LYS 39 -7.140 0.079 -4.262 306 2HG LYS 39 HG1 LYS 39 -8.865 0.284 -4.560 307 1HD LYS 39 HD2 LYS 39 -8.420 1.582 -2.638 308 2HD LYS 39 HD1 LYS 39 -9.183 0.114 -2.031 309 1HE LYS 39 HE2 LYS 39 -6.827 -0.795 -1.660 310 2HE LYS 39 HE1 LYS 39 -6.250 0.840 -1.971 311 1HZ LYS 39 HZ3 LYS 39 -8.341 0.962 -0.096 312 2HZ LYS 39 HZ2 LYS 39 -7.213 -0.210 0.421 313 3HZ LYS 39 HZ1 LYS 39 -6.704 1.390 0.103 314 H ASP 40 HN ASP 40 -7.261 -3.937 -5.783 315 HA ASP 40 HA ASP 40 -6.663 -3.079 -8.432 316 1HB ASP 40 HB2 ASP 40 -4.382 -2.347 -8.160 317 2HB ASP 40 HB1 ASP 40 -5.413 -1.330 -7.164 318 H ALA 41 HN ALA 41 -4.217 -4.201 -8.843 319 HA ALA 41 HA ALA 41 -4.771 -6.993 -8.826 320 1HB ALA 41 HB3 ALA 41 -3.355 -5.751 -10.518 321 2HB ALA 41 HB2 ALA 41 -2.068 -5.724 -9.310 322 3HB ALA 41 HB1 ALA 41 -2.670 -7.265 -9.928 323 H LYS 42 HN LYS 42 -2.721 -4.938 -6.807 324 HA LYS 42 HA LYS 42 -1.377 -6.983 -5.368 325 1HB LYS 42 HB2 LYS 42 -2.092 -4.155 -4.552 326 2HB LYS 42 HB1 LYS 42 -1.011 -5.214 -3.654 327 1HG LYS 42 HG2 LYS 42 0.591 -5.232 -5.404 328 2HG LYS 42 HG1 LYS 42 -0.546 -4.545 -6.560 329 1HD LYS 42 HD2 LYS 42 0.940 -2.788 -5.948 330 2HD LYS 42 HD1 LYS 42 -0.581 -2.459 -5.129 331 1HE LYS 42 HE2 LYS 42 1.657 -3.946 -3.777 332 2HE LYS 42 HE1 LYS 42 1.585 -2.190 -3.768 333 1HZ LYS 42 HZ1 LYS 42 -0.857 -2.739 -2.945 334 2HZ LYS 42 HZ3 LYS 42 -0.083 -4.144 -2.384 335 3HZ LYS 42 HZ2 LYS 42 0.471 -2.614 -1.876 336 H SER 43 HN SER 43 -4.377 -5.194 -4.719 337 HA SER 43 HA SER 43 -5.014 -6.376 -2.227 338 1HB SER 43 HB2 SER 43 -6.839 -5.210 -4.335 339 2HB SER 43 HB1 SER 43 -7.286 -5.530 -2.660 340 HG SER 43 HG SER 43 -5.357 -3.673 -3.651 341 H ALA 44 HN ALA 44 -5.571 -7.422 -5.539 342 HA ALA 44 HA ALA 44 -7.411 -9.547 -4.912 343 1HB ALA 44 HB3 ALA 44 -7.309 -8.435 -7.132 344 2HB ALA 44 HB2 ALA 44 -5.716 -9.150 -7.392 345 3HB ALA 44 HB1 ALA 44 -7.136 -10.187 -7.236 346 H ALA 45 HN ALA 45 -3.938 -9.392 -5.686 347 HA ALA 45 HA ALA 45 -3.448 -12.204 -5.422 348 1HB ALA 45 HB2 ALA 45 -1.705 -9.758 -5.578 349 2HB ALA 45 HB1 ALA 45 -1.005 -11.336 -5.215 350 3HB ALA 45 HB3 ALA 45 -1.869 -11.084 -6.731 351 H SER 46 HN SER 46 -2.975 -9.425 -3.246 352 HA SER 46 HA SER 46 -1.837 -10.929 -1.093 353 1HB SER 46 HB2 SER 46 -1.575 -8.451 -1.494 354 2HB SER 46 HB1 SER 46 -3.232 -8.248 -0.928 355 HG SER 46 HG SER 46 -1.379 -9.675 0.667 356 H GLY 47 HN GLY 47 -5.124 -9.878 -1.893 357 1HA GLY 47 HA2 GLY 47 -7.104 -11.024 -1.295 358 2HA GLY 47 HA1 GLY 47 -6.237 -11.817 0.018 359 H ILE 48 HN ILE 48 -6.844 -8.455 -0.981 360 HA ILE 48 HA ILE 48 -7.557 -7.756 1.808 361 HB ILE 48 HB ILE 48 -6.590 -6.034 -0.484 362 1HG1 ILE 48 HG12 ILE 48 -5.226 -6.678 2.141 363 2HG1 ILE 48 HG11 ILE 48 -4.892 -7.513 0.629 364 1HG2 ILE 48 HG23 ILE 48 -7.505 -5.308 2.295 365 2HG2 ILE 48 HG22 ILE 48 -6.420 -4.275 1.366 366 3HG2 ILE 48 HG21 ILE 48 -8.035 -4.635 0.751 367 1HD1 ILE 48 HD11 ILE 48 -4.759 -4.618 0.317 368 2HD1 ILE 48 HD13 ILE 48 -3.629 -5.214 1.533 369 3HD1 ILE 48 HD12 ILE 48 -3.571 -5.854 -0.108 370 HA PRO 49 HA PRO 49 -11.684 -7.527 0.054 371 1HB PRO 49 HB2 PRO 49 -12.995 -6.888 2.343 372 2HB PRO 49 HB1 PRO 49 -12.463 -8.522 1.931 373 1HG PRO 49 HG2 PRO 49 -11.251 -6.540 3.795 374 2HG PRO 49 HG1 PRO 49 -11.359 -8.302 3.933 375 1HD PRO 49 HD2 PRO 49 -9.097 -6.934 3.154 376 2HD PRO 49 HD1 PRO 49 -9.433 -8.631 2.749 377 H TYR 50 HN TYR 50 -12.504 -5.927 -1.065 378 HA TYR 50 HA TYR 50 -12.290 -3.116 -0.136 379 1HB TYR 50 HB2 TYR 50 -11.106 -3.700 -2.270 380 2HB TYR 50 HB1 TYR 50 -12.653 -4.171 -2.959 381 HD1 TYR 50 HD1 TYR 50 -11.175 -1.252 -1.136 382 HD2 TYR 50 HD2 TYR 50 -13.693 -2.612 -4.305 383 HE1 TYR 50 HE1 TYR 50 -11.553 1.077 -1.840 384 HE2 TYR 50 HE2 TYR 50 -14.061 -0.279 -5.009 385 HH TYR 50 HH TYR 50 -13.766 2.223 -3.349 386 H HIS 51 HN HIS 51 -14.136 -2.602 0.826 387 HA HIS 51 HA HIS 51 -16.342 -2.016 1.015 388 1HB HIS 51 HB2 HIS 51 -16.174 -2.424 -1.742 389 2HB HIS 51 HB1 HIS 51 -17.484 -3.489 -1.260 390 HD1 HIS 51 HD1 HIS 51 -19.651 -2.314 -1.491 391 HD2 HIS 51 HD2 HIS 51 -16.638 0.287 -0.333 392 HE1 HIS 51 HE1 HIS 51 -20.776 -0.088 -1.255 393 H SER 52 HN SER 52 -18.567 -3.824 0.302 394 HA SER 52 HA SER 52 -18.016 -6.102 2.092 395 1HB SER 52 HB2 SER 52 -20.588 -4.509 1.905 396 2HB SER 52 HB1 SER 52 -20.273 -5.873 2.977 397 HG SER 52 HG SER 52 -19.942 -3.983 4.151 398 H GLU 53 HN GLU 53 -18.488 -7.974 1.269 399 HA GLU 53 HA GLU 53 -19.387 -9.675 0.022 400 1HB GLU 53 HB2 GLU 53 -21.110 -7.668 -1.452 401 2HB GLU 53 HB1 GLU 53 -21.319 -9.411 -1.348 402 1HG GLU 53 HG2 GLU 53 -21.394 -8.820 1.283 403 2HG GLU 53 HG1 GLU 53 -21.999 -7.295 0.636 404 H VAL 54 HN VAL 54 -17.015 -8.935 -0.523 405 HA VAL 54 HA VAL 54 -16.415 -7.841 -3.055 406 HB VAL 54 HB VAL 54 -14.883 -9.549 -1.109 407 1HG1 VAL 54 HG13 VAL 54 -14.043 -8.682 -3.852 408 2HG1 VAL 54 HG12 VAL 54 -12.858 -8.781 -2.552 409 3HG1 VAL 54 HG11 VAL 54 -13.765 -10.217 -3.027 410 1HG2 VAL 54 HG21 VAL 54 -15.511 -6.896 -1.083 411 2HG2 VAL 54 HG23 VAL 54 -14.131 -7.620 -0.256 412 3HG2 VAL 54 HG22 VAL 54 -13.918 -6.885 -1.845 413 HA PRO 55 HA PRO 55 -16.147 -12.292 -4.797 414 1HB PRO 55 HB2 PRO 55 -17.077 -14.399 -3.367 415 2HB PRO 55 HB1 PRO 55 -15.421 -13.794 -3.247 416 1HG PRO 55 HG2 PRO 55 -17.676 -13.506 -1.360 417 2HG PRO 55 HG1 PRO 55 -15.935 -13.517 -1.048 418 1HD PRO 55 HD2 PRO 55 -17.620 -11.261 -1.169 419 2HD PRO 55 HD1 PRO 55 -15.851 -11.266 -1.109 420 H VAL 56 HN VAL 56 -17.630 -12.248 -6.378 421 HA VAL 56 HA VAL 56 -20.482 -12.735 -5.713 422 HB VAL 56 HB VAL 56 -19.316 -10.903 -7.809 423 1HG1 VAL 56 HG11 VAL 56 -22.126 -11.861 -7.361 424 2HG1 VAL 56 HG13 VAL 56 -21.792 -10.317 -8.146 425 3HG1 VAL 56 HG12 VAL 56 -21.199 -11.815 -8.863 426 1HG2 VAL 56 HG23 VAL 56 -20.680 -10.468 -5.185 427 2HG2 VAL 56 HG22 VAL 56 -19.278 -9.644 -5.871 428 3HG2 VAL 56 HG21 VAL 56 -20.897 -9.285 -6.479 429 H SER 57 HN SER 57 -21.445 -14.315 -6.825 430 HA SER 57 HA SER 57 -19.882 -16.027 -8.547 431 1HB SER 57 HB2 SER 57 -22.749 -16.521 -7.980 432 2HB SER 57 HB1 SER 57 -21.404 -17.637 -8.031 433 HG SER 57 HG SER 57 -20.742 -16.973 -6.008 434 H LEU 58 HN LEU 58 -20.241 -16.430 -10.687 435 HA LEU 58 HA LEU 58 -21.963 -14.549 -12.163 436 1HB LEU 58 HB2 LEU 58 -19.733 -16.396 -13.064 437 2HB LEU 58 HB1 LEU 58 -20.710 -15.426 -14.161 438 HG LEU 58 HG LEU 58 -19.138 -14.244 -11.879 439 1HD1 LEU 58 HD21 LEU 58 -18.329 -14.662 -14.754 440 2HD1 LEU 58 HD23 LEU 58 -17.506 -13.556 -13.655 441 3HD1 LEU 58 HD22 LEU 58 -17.528 -15.287 -13.311 442 1HD2 LEU 58 HD13 LEU 58 -20.866 -13.188 -14.030 443 2HD2 LEU 58 HD12 LEU 58 -20.517 -12.534 -12.429 444 3HD2 LEU 58 HD11 LEU 58 -19.366 -12.304 -13.745 445 H LYS 59 HN LYS 59 -23.576 -16.138 -10.914 446 HA LYS 59 HA LYS 59 -24.126 -18.634 -12.254 447 1HB LYS 59 HB2 LYS 59 -24.838 -17.405 -9.790 448 2HB LYS 59 HB1 LYS 59 -26.335 -17.689 -10.657 449 1HG LYS 59 HG2 LYS 59 -24.622 -20.010 -10.872 450 2HG LYS 59 HG1 LYS 59 -24.805 -19.547 -9.186 451 1HD LYS 59 HD2 LYS 59 -27.367 -19.366 -9.850 452 2HD LYS 59 HD1 LYS 59 -26.879 -20.461 -11.142 453 1HE LYS 59 HE2 LYS 59 -27.684 -21.741 -9.242 454 2HE LYS 59 HE1 LYS 59 -25.957 -22.013 -9.447 455 1HZ LYS 59 HZ1 LYS 59 -26.756 -19.843 -7.664 456 2HZ LYS 59 HZ3 LYS 59 -27.053 -21.432 -7.115 457 3HZ LYS 59 HZ2 LYS 59 -25.470 -20.956 -7.528 458 H GLU 60 HN GLU 60 -24.741 -18.441 -14.327 459 HA GLU 60 HA GLU 60 -25.907 -17.848 -16.217 460 1HB GLU 60 HB2 GLU 60 -28.182 -17.379 -14.274 461 2HB GLU 60 HB1 GLU 60 -28.322 -17.724 -15.995 462 1HG GLU 60 HG2 GLU 60 -27.240 -19.935 -15.591 463 2HG GLU 60 HG1 GLU 60 -27.238 -19.586 -13.863 464 H ALA 61 HN ALA 61 -24.296 -15.879 -15.629 465 HA ALA 61 HA ALA 61 -25.609 -13.353 -15.159 466 1HB ALA 61 HB3 ALA 61 -23.187 -14.052 -14.559 467 2HB ALA 61 HB2 ALA 61 -22.816 -13.641 -16.234 468 3HB ALA 61 HB1 ALA 61 -23.479 -12.416 -15.144 469 H ILE 62 HN ILE 62 -26.645 -12.208 -16.632 470 HA ILE 62 HA ILE 62 -26.311 -12.769 -19.489 471 HB ILE 62 HB ILE 62 -28.193 -10.835 -18.115 472 1HG1 ILE 62 HG12 ILE 62 -28.576 -13.176 -17.379 473 2HG1 ILE 62 HG11 ILE 62 -29.919 -12.523 -18.307 474 1HG2 ILE 62 HG23 ILE 62 -27.667 -11.553 -20.919 475 2HG2 ILE 62 HG22 ILE 62 -29.377 -11.586 -20.468 476 3HG2 ILE 62 HG21 ILE 62 -28.431 -10.117 -20.237 477 1HD1 ILE 62 HD13 ILE 62 -28.451 -13.661 -20.294 478 2HD1 ILE 62 HD12 ILE 62 -28.089 -14.740 -18.948 479 3HD1 ILE 62 HD11 ILE 62 -29.762 -14.477 -19.440 480 H CYS 63 HN CYS 63 -25.209 -11.448 -20.847 481 HA CYS 63 HA CYS 63 -24.314 -8.819 -19.841 482 1HB CYS 63 HB2 CYS 63 -22.716 -11.075 -20.518 483 2HB CYS 63 HB1 CYS 63 -22.449 -9.852 -21.741 484 HG CYS 63 HG CYS 63 -22.162 -8.392 -19.247 485 H GLU 64 HN GLU 64 -24.859 -7.152 -21.086 486 HA GLU 64 HA GLU 64 -25.584 -7.619 -23.935 487 1HB GLU 64 HB2 GLU 64 -26.800 -5.573 -22.068 488 2HB GLU 64 HB1 GLU 64 -27.285 -5.910 -23.726 489 1HG GLU 64 HG2 GLU 64 -27.996 -8.174 -23.062 490 2HG GLU 64 HG1 GLU 64 -27.502 -7.846 -21.400 491 H VAL 65 HN VAL 65 -24.860 -6.096 -25.412 492 HA VAL 65 HA VAL 65 -22.612 -4.443 -24.544 493 HB VAL 65 HB VAL 65 -23.706 -4.762 -27.342 494 1HG1 VAL 65 HG13 VAL 65 -21.212 -3.637 -26.146 495 2HG1 VAL 65 HG12 VAL 65 -21.103 -4.443 -27.711 496 3HG1 VAL 65 HG11 VAL 65 -22.173 -3.054 -27.504 497 1HG2 VAL 65 HG22 VAL 65 -21.989 -6.583 -25.703 498 2HG2 VAL 65 HG21 VAL 65 -23.262 -6.976 -26.858 499 3HG2 VAL 65 HG23 VAL 65 -21.687 -6.438 -27.436 500 H ALA 66 HN ALA 66 -22.602 -2.283 -24.360 501 HA ALA 66 HA ALA 66 -24.998 -0.723 -25.172 502 1HB ALA 66 HB1 ALA 66 -23.236 -0.561 -22.750 503 2HB ALA 66 HB3 ALA 66 -24.069 0.875 -23.333 504 3HB ALA 66 HB2 ALA 66 -24.991 -0.547 -22.850 505 H LEU 67 HN LEU 67 -24.287 -0.169 -27.175 506 HA LEU 67 HA LEU 67 -21.645 0.943 -27.656 507 1HB LEU 67 HB2 LEU 67 -22.588 -0.506 -29.340 508 2HB LEU 67 HB1 LEU 67 -24.052 0.459 -29.426 509 HG LEU 67 HG LEU 67 -22.864 2.301 -30.426 510 1HD1 LEU 67 HD12 LEU 67 -20.528 0.860 -29.439 511 2HD1 LEU 67 HD11 LEU 67 -20.343 1.438 -31.092 512 3HD1 LEU 67 HD13 LEU 67 -20.731 2.570 -29.799 513 1HD2 LEU 67 HD22 LEU 67 -23.527 0.140 -31.751 514 2HD2 LEU 67 HD21 LEU 67 -22.585 1.411 -32.534 515 3HD2 LEU 67 HD23 LEU 67 -21.781 -0.040 -31.933 516 H ASP 68 HN ASP 68 -24.960 2.067 -27.319 517 HA ASP 68 HA ASP 68 -24.426 4.777 -28.159 518 1HB ASP 68 HB2 ASP 68 -26.674 3.455 -28.168 519 2HB ASP 68 HB1 ASP 68 -26.793 3.968 -26.487 520 H TYR 69 HN TYR 69 -24.929 3.168 -25.028 521 HA TYR 69 HA TYR 69 -24.419 5.569 -23.498 522 1HB TYR 69 HB2 TYR 69 -25.943 3.594 -22.869 523 2HB TYR 69 HB1 TYR 69 -24.479 2.738 -22.438 524 HD1 TYR 69 HD1 TYR 69 -25.644 6.277 -21.876 525 HD2 TYR 69 HD2 TYR 69 -24.312 2.604 -20.140 526 HE1 TYR 69 HE1 TYR 69 -25.700 7.303 -19.645 527 HE2 TYR 69 HE2 TYR 69 -24.379 3.647 -17.910 528 HH TYR 69 HH TYR 69 -26.007 6.079 -17.075 529 H LYS 70 HN LYS 70 -22.350 6.333 -23.340 530 HA LYS 70 HA LYS 70 -20.235 4.923 -22.174 531 1HB LYS 70 HB2 LYS 70 -18.706 4.797 -24.212 532 2HB LYS 70 HB1 LYS 70 -19.950 3.562 -24.110 533 1HG LYS 70 HG2 LYS 70 -20.706 4.161 -26.133 534 2HG LYS 70 HG1 LYS 70 -21.054 5.779 -25.536 535 1HD LYS 70 HD2 LYS 70 -18.737 6.448 -26.017 536 2HD LYS 70 HD1 LYS 70 -18.402 4.839 -26.651 537 1HE LYS 70 HE2 LYS 70 -20.570 6.655 -27.751 538 2HE LYS 70 HE1 LYS 70 -18.926 6.631 -28.379 539 1HZ LYS 70 HZ1 LYS 70 -19.901 3.993 -28.239 540 2HZ LYS 70 HZ3 LYS 70 -21.038 4.962 -29.056 541 3HZ LYS 70 HZ2 LYS 70 -19.424 4.885 -29.610 542 H LYS 71 HN LYS 71 -18.505 6.290 -21.736 543 HA LYS 71 HA LYS 71 -18.945 9.115 -22.067 544 1HB LYS 71 HB2 LYS 71 -16.446 7.683 -21.105 545 2HB LYS 71 HB1 LYS 71 -16.779 9.403 -20.938 546 1HG LYS 71 HG2 LYS 71 -18.706 8.908 -19.507 547 2HG LYS 71 HG1 LYS 71 -18.419 7.180 -19.696 548 1HD LYS 71 HD2 LYS 71 -16.403 7.263 -18.476 549 2HD LYS 71 HD1 LYS 71 -16.288 9.014 -18.607 550 1HE LYS 71 HE2 LYS 71 -18.383 7.513 -17.015 551 2HE LYS 71 HE1 LYS 71 -16.951 8.283 -16.341 552 1HZ LYS 71 HZ3 LYS 71 -18.029 10.314 -17.699 553 2HZ LYS 71 HZ2 LYS 71 -19.438 9.456 -17.252 554 3HZ LYS 71 HZ1 LYS 71 -18.348 9.988 -16.058 555 H LYS 72 HN LYS 72 -16.425 6.955 -23.154 556 HA LYS 72 HA LYS 72 -16.339 7.814 -25.843 557 1HB LYS 72 HB2 LYS 72 -15.252 9.804 -24.643 558 2HB LYS 72 HB1 LYS 72 -13.931 8.719 -24.237 559 1HG LYS 72 HG2 LYS 72 -14.436 8.396 -27.010 560 2HG LYS 72 HG1 LYS 72 -14.458 10.128 -26.697 561 1HD LYS 72 HD2 LYS 72 -12.252 9.924 -25.578 562 2HD LYS 72 HD1 LYS 72 -12.225 8.209 -25.974 563 1HE LYS 72 HE2 LYS 72 -12.414 10.426 -28.021 564 2HE LYS 72 HE1 LYS 72 -10.916 9.631 -27.552 565 1HZ LYS 72 HZ3 LYS 72 -12.333 7.504 -28.152 566 2HZ LYS 72 HZ2 LYS 72 -13.144 8.620 -29.156 567 3HZ LYS 72 HZ1 LYS 72 -11.463 8.360 -29.331 568 H LYS 73 HN LYS 73 -16.663 5.393 -25.033 569 HA LYS 73 HA LYS 73 -14.364 3.943 -25.917 570 1HB LYS 73 HB2 LYS 73 -14.225 2.541 -23.780 571 2HB LYS 73 HB1 LYS 73 -13.482 4.132 -23.736 572 1HG LYS 73 HG2 LYS 73 -16.245 4.341 -22.917 573 2HG LYS 73 HG1 LYS 73 -15.438 3.095 -21.980 574 1HD LYS 73 HD2 LYS 73 -14.290 5.861 -22.358 575 2HD LYS 73 HD1 LYS 73 -15.346 5.437 -21.016 576 1HE LYS 73 HE2 LYS 73 -13.679 4.448 -19.887 577 2HE LYS 73 HE1 LYS 73 -13.203 3.506 -21.292 578 1HZ LYS 73 HZ3 LYS 73 -12.404 6.133 -21.756 579 2HZ LYS 73 HZ2 LYS 73 -11.924 5.740 -20.171 580 3HZ LYS 73 HZ1 LYS 73 -11.421 4.771 -21.486 581 H HIS 74 HN HIS 74 -16.183 2.190 -23.619 582 HA HIS 74 HA HIS 74 -18.438 1.512 -25.276 583 1HB HIS 74 HB2 HIS 74 -15.947 -0.043 -25.490 584 2HB HIS 74 HB1 HIS 74 -17.337 -1.031 -25.072 585 HD1 HIS 74 HD1 HIS 74 -15.779 0.741 -27.894 586 HD2 HIS 74 HD2 HIS 74 -19.443 -1.006 -27.067 587 HE1 HIS 74 HE1 HIS 74 -16.917 0.527 -30.113 588 H VAL 75 HN VAL 75 -20.043 0.649 -24.048 589 HA VAL 75 HA VAL 75 -19.394 -0.184 -21.270 590 HB VAL 75 HB VAL 75 -21.887 1.132 -22.377 591 1HG1 VAL 75 HG13 VAL 75 -21.299 0.061 -19.628 592 2HG1 VAL 75 HG12 VAL 75 -22.513 1.299 -19.914 593 3HG1 VAL 75 HG11 VAL 75 -22.684 -0.285 -20.664 594 1HG2 VAL 75 HG23 VAL 75 -19.883 2.615 -22.010 595 2HG2 VAL 75 HG22 VAL 75 -21.334 3.053 -21.102 596 3HG2 VAL 75 HG21 VAL 75 -20.006 2.215 -20.294 597 H PHE 76 HN PHE 76 -20.830 -1.808 -20.364 598 HA PHE 76 HA PHE 76 -22.528 -3.344 -22.109 599 1HB PHE 76 HB2 PHE 76 -21.399 -5.486 -21.793 600 2HB PHE 76 HB1 PHE 76 -20.397 -4.358 -22.682 601 HD1 PHE 76 HD1 PHE 76 -18.459 -3.264 -21.549 602 HD2 PHE 76 HD2 PHE 76 -20.681 -6.426 -19.729 603 HE1 PHE 76 HE1 PHE 76 -16.627 -3.628 -19.948 604 HE2 PHE 76 HE2 PHE 76 -18.837 -6.791 -18.133 605 HZ PHE 76 HZ PHE 76 -16.799 -5.487 -18.280 606 H LYS 77 HN LYS 77 -24.090 -4.340 -20.983 607 HA LYS 77 HA LYS 77 -24.298 -3.744 -18.135 608 1HB LYS 77 HB2 LYS 77 -26.282 -5.274 -19.819 609 2HB LYS 77 HB1 LYS 77 -26.574 -4.383 -18.330 610 1HG LYS 77 HG2 LYS 77 -25.722 -2.337 -19.767 611 2HG LYS 77 HG1 LYS 77 -26.216 -3.363 -21.112 612 1HD LYS 77 HD2 LYS 77 -28.386 -3.621 -19.512 613 2HD LYS 77 HD1 LYS 77 -27.865 -2.004 -19.049 614 1HE LYS 77 HE2 LYS 77 -29.317 -1.586 -20.821 615 2HE LYS 77 HE1 LYS 77 -27.737 -1.541 -21.596 616 1HZ LYS 77 HZ1 LYS 77 -28.848 -4.191 -21.553 617 2HZ LYS 77 HZ3 LYS 77 -29.884 -3.087 -22.323 618 3HZ LYS 77 HZ2 LYS 77 -28.278 -3.266 -22.873 619 H LEU 78 HN LEU 78 -24.708 -5.315 -16.530 620 HA LEU 78 HA LEU 78 -24.207 -8.129 -17.170 621 1HB LEU 78 HB2 LEU 78 -22.038 -6.930 -16.495 622 2HB LEU 78 HB1 LEU 78 -22.738 -6.780 -14.899 623 HG LEU 78 HG LEU 78 -21.176 -8.828 -15.690 624 1HD1 LEU 78 HD21 LEU 78 -22.066 -8.217 -13.412 625 2HD1 LEU 78 HD23 LEU 78 -23.436 -9.271 -13.764 626 3HD1 LEU 78 HD22 LEU 78 -21.804 -9.937 -13.707 627 1HD2 LEU 78 HD12 LEU 78 -22.821 -9.632 -17.358 628 2HD2 LEU 78 HD11 LEU 78 -22.464 -10.821 -16.111 629 3HD2 LEU 78 HD13 LEU 78 -23.970 -9.913 -16.042 630 H ARG 79 HN ARG 79 -26.164 -8.832 -16.595 631 HA ARG 79 HA ARG 79 -27.262 -8.098 -13.942 632 1HB ARG 79 HB2 ARG 79 -28.662 -8.997 -16.475 633 2HB ARG 79 HB1 ARG 79 -29.453 -8.655 -14.943 634 1HG ARG 79 HG2 ARG 79 -28.924 -6.342 -15.066 635 2HG ARG 79 HG1 ARG 79 -27.759 -6.600 -16.356 636 1HD ARG 79 HD2 ARG 79 -29.611 -5.722 -17.484 637 2HD ARG 79 HD1 ARG 79 -29.782 -7.460 -17.730 638 HE ARG 79 HE ARG 79 -31.194 -6.814 -15.390 639 1HH1 ARG 79 HH11 ARG 79 -32.331 -8.206 -17.867 640 2HH1 ARG 79 HH12 ARG 79 -33.607 -7.106 -18.327 641 1HH2 ARG 79 HH21 ARG 79 -32.321 -4.426 -16.423 642 2HH2 ARG 79 HH22 ARG 79 -33.592 -4.929 -17.511 643 H LEU 80 HN LEU 80 -27.367 -9.691 -12.460 644 HA LEU 80 HA LEU 80 -26.723 -12.440 -13.208 645 1HB LEU 80 HB2 LEU 80 -27.543 -11.305 -10.525 646 2HB LEU 80 HB1 LEU 80 -26.870 -12.907 -10.809 647 HG LEU 80 HG LEU 80 -25.473 -10.278 -11.339 648 1HD1 LEU 80 HD13 LEU 80 -25.721 -10.804 -8.941 649 2HD1 LEU 80 HD12 LEU 80 -24.939 -12.363 -9.216 650 3HD1 LEU 80 HD11 LEU 80 -24.040 -10.867 -9.467 651 1HD2 LEU 80 HD23 LEU 80 -24.638 -13.138 -11.767 652 2HD2 LEU 80 HD22 LEU 80 -24.601 -11.795 -12.912 653 3HD2 LEU 80 HD21 LEU 80 -23.459 -11.840 -11.567 654 H SER 81 HN SER 81 -28.136 -14.269 -12.610 655 HA SER 81 HA SER 81 -30.754 -14.019 -13.660 656 1HB SER 81 HB2 SER 81 -30.986 -16.394 -12.657 657 2HB SER 81 HB1 SER 81 -29.788 -16.122 -13.917 658 HG SER 81 HG SER 81 -28.191 -16.413 -12.503 659 H ASP 82 HN ASP 82 -29.568 -14.235 -10.350 660 HA ASP 82 HA ASP 82 -32.026 -13.066 -9.302 661 1HB ASP 82 HB2 ASP 82 -32.473 -15.533 -9.360 662 2HB ASP 82 HB1 ASP 82 -31.077 -15.779 -8.319 663 H GLY 83 HN GLY 83 -30.086 -11.505 -9.156 664 1HA GLY 83 HA2 GLY 83 -29.034 -11.627 -6.447 665 2HA GLY 83 HA1 GLY 83 -27.824 -11.669 -7.728 666 H ASN 84 HN ASN 84 -27.295 -9.802 -8.789 667 HA ASN 84 HA ASN 84 -28.789 -7.320 -8.231 668 1HB ASN 84 HB2 ASN 84 -25.781 -7.597 -8.181 669 2HB ASN 84 HB1 ASN 84 -26.705 -6.154 -7.776 670 1HD2 ASN 84 HD22 ASN 84 -27.908 -7.811 -4.665 671 2HD2 ASN 84 HD21 ASN 84 -28.638 -7.116 -6.079 672 H GLU 85 HN GLU 85 -27.958 -5.563 -9.720 673 HA GLU 85 HA GLU 85 -27.069 -6.582 -12.354 674 1HB GLU 85 HB2 GLU 85 -29.264 -4.583 -11.791 675 2HB GLU 85 HB1 GLU 85 -28.642 -4.968 -13.393 676 1HG GLU 85 HG2 GLU 85 -29.378 -7.294 -13.130 677 2HG GLU 85 HG1 GLU 85 -29.950 -6.954 -11.505 678 H TYR 86 HN TYR 86 -25.517 -5.338 -13.319 679 HA TYR 86 HA TYR 86 -24.930 -2.635 -12.275 680 1HB TYR 86 HB2 TYR 86 -22.726 -4.635 -12.735 681 2HB TYR 86 HB1 TYR 86 -22.638 -3.080 -11.929 682 HD1 TYR 86 HD2 TYR 86 -23.835 -6.575 -11.580 683 HD2 TYR 86 HD1 TYR 86 -23.003 -2.881 -9.610 684 HE1 TYR 86 HE2 TYR 86 -23.972 -7.705 -9.395 685 HE2 TYR 86 HE1 TYR 86 -23.148 -4.008 -7.428 686 HH TYR 86 HH TYR 86 -24.455 -7.037 -6.982 687 H LEU 87 HN LEU 87 -23.495 -1.403 -13.660 688 HA LEU 87 HA LEU 87 -23.499 -2.248 -16.513 689 1HB LEU 87 HB2 LEU 87 -23.332 0.571 -15.391 690 2HB LEU 87 HB1 LEU 87 -23.324 0.131 -17.090 691 HG LEU 87 HG LEU 87 -25.593 -0.023 -15.135 692 1HD1 LEU 87 HD13 LEU 87 -24.972 2.058 -16.542 693 2HD1 LEU 87 HD12 LEU 87 -25.652 1.147 -17.896 694 3HD1 LEU 87 HD11 LEU 87 -26.653 1.530 -16.494 695 1HD2 LEU 87 HD23 LEU 87 -25.275 -1.475 -17.745 696 2HD2 LEU 87 HD22 LEU 87 -25.873 -2.087 -16.204 697 3HD2 LEU 87 HD21 LEU 87 -26.865 -0.989 -17.161 698 H PHE 88 HN PHE 88 -21.501 -2.422 -17.484 699 HA PHE 88 HA PHE 88 -19.144 -1.566 -15.906 700 1HB PHE 88 HB2 PHE 88 -19.645 -4.078 -17.465 701 2HB PHE 88 HB1 PHE 88 -18.007 -3.503 -17.181 702 HD1 PHE 88 HD1 PHE 88 -17.101 -3.363 -14.889 703 HD2 PHE 88 HD2 PHE 88 -20.947 -5.035 -15.702 704 HE1 PHE 88 HE1 PHE 88 -17.117 -4.414 -12.663 705 HE2 PHE 88 HE2 PHE 88 -20.963 -6.086 -13.481 706 HZ PHE 88 HZ PHE 88 -19.024 -5.751 -11.944 707 H GLN 89 HN GLN 89 -17.586 -0.430 -16.923 708 HA GLN 89 HA GLN 89 -17.889 0.079 -19.834 709 1HB GLN 89 HB2 GLN 89 -18.465 1.985 -18.215 710 2HB GLN 89 HB1 GLN 89 -16.751 2.055 -17.858 711 1HG GLN 89 HG2 GLN 89 -16.177 2.804 -19.972 712 2HG GLN 89 HG1 GLN 89 -17.619 2.128 -20.716 713 1HE2 GLN 89 HE22 GLN 89 -18.909 5.246 -18.530 714 2HE2 GLN 89 HE21 GLN 89 -18.355 3.757 -17.839 715 H ALA 90 HN ALA 90 -16.210 -0.586 -21.001 716 HA ALA 90 HA ALA 90 -13.642 -1.215 -19.684 717 1HB ALA 90 HB2 ALA 90 -14.966 -2.863 -21.204 718 2HB ALA 90 HB1 ALA 90 -14.326 -1.899 -22.534 719 3HB ALA 90 HB3 ALA 90 -13.225 -2.723 -21.426 720 H LYS 91 HN LYS 91 -11.650 -0.694 -20.921 721 HA LYS 91 HA LYS 91 -11.725 2.075 -21.821 722 1HB LYS 91 HB2 LYS 91 -9.130 1.536 -21.963 723 2HB LYS 91 HB1 LYS 91 -9.927 1.877 -20.435 724 1HG LYS 91 HG2 LYS 91 -9.706 -0.957 -21.423 725 2HG LYS 91 HG1 LYS 91 -8.338 -0.179 -20.636 726 1HD LYS 91 HD2 LYS 91 -10.526 0.394 -18.974 727 2HD LYS 91 HD1 LYS 91 -10.756 -1.285 -19.456 728 1HE LYS 91 HE2 LYS 91 -9.412 -1.596 -17.631 729 2HE LYS 91 HE1 LYS 91 -8.183 -1.455 -18.876 730 1HZ LYS 91 HZ2 LYS 91 -8.130 0.986 -18.309 731 2HZ LYS 91 HZ1 LYS 91 -9.048 0.593 -16.924 732 3HZ LYS 91 HZ3 LYS 91 -7.494 -0.075 -17.135 733 H ASP 92 HN ASP 92 -11.281 -1.107 -23.215 734 HA ASP 92 HA ASP 92 -10.992 0.128 -25.896 735 1HB ASP 92 HB2 ASP 92 -8.864 -0.971 -24.931 736 2HB ASP 92 HB1 ASP 92 -9.704 -2.503 -25.157 737 H ASP 93 HN ASP 93 -11.885 -1.044 -27.633 738 HA ASP 93 HA ASP 93 -14.387 -2.315 -27.133 739 1HB ASP 93 HB2 ASP 93 -13.918 -0.997 -29.164 740 2HB ASP 93 HB1 ASP 93 -12.735 -2.195 -29.676 741 H GLU 94 HN GLU 94 -11.175 -3.555 -28.060 742 HA GLU 94 HA GLU 94 -11.938 -6.274 -28.426 743 1HB GLU 94 HB2 GLU 94 -9.272 -5.027 -27.742 744 2HB GLU 94 HB1 GLU 94 -9.494 -6.741 -28.091 745 1HG GLU 94 HG2 GLU 94 -10.655 -5.855 -30.282 746 2HG GLU 94 HG1 GLU 94 -9.750 -4.383 -29.933 747 H GLU 95 HN GLU 95 -10.822 -4.448 -25.616 748 HA GLU 95 HA GLU 95 -10.629 -6.656 -23.825 749 1HB GLU 95 HB2 GLU 95 -9.727 -4.180 -23.636 750 2HB GLU 95 HB1 GLU 95 -11.267 -3.907 -22.824 751 1HG GLU 95 HG2 GLU 95 -10.754 -5.700 -21.233 752 2HG GLU 95 HG1 GLU 95 -9.235 -6.022 -22.067 753 H MET 96 HN MET 96 -13.212 -4.310 -24.536 754 HA MET 96 HA MET 96 -15.115 -5.069 -22.623 755 1HB MET 96 HB2 MET 96 -15.457 -3.088 -23.920 756 2HB MET 96 HB1 MET 96 -15.403 -3.982 -25.429 757 1HG MET 96 HG2 MET 96 -17.503 -4.807 -23.501 758 2HG MET 96 HG1 MET 96 -17.693 -3.214 -24.210 759 1HE MET 96 HE3 MET 96 -16.952 -2.904 -26.653 760 2HE MET 96 HE2 MET 96 -16.558 -4.276 -27.686 761 3HE MET 96 HE1 MET 96 -18.159 -3.545 -27.776 762 H ASN 97 HN ASN 97 -14.572 -6.315 -25.909 763 HA ASN 97 HA ASN 97 -16.650 -8.235 -25.944 764 1HB ASN 97 HB2 ASN 97 -15.377 -7.367 -27.938 765 2HB ASN 97 HB1 ASN 97 -14.024 -8.389 -27.453 766 1HD2 ASN 97 HD22 ASN 97 -17.429 -10.037 -29.040 767 2HD2 ASN 97 HD21 ASN 97 -17.391 -8.388 -28.476 768 H THR 98 HN THR 98 -13.268 -8.419 -24.893 769 HA THR 98 HA THR 98 -13.202 -11.225 -24.393 770 HB THR 98 HB THR 98 -11.524 -9.119 -23.016 771 HG1 THR 98 HG1 THR 98 -11.307 -8.690 -25.180 772 1HG2 THR 98 HG22 THR 98 -11.397 -11.542 -22.264 773 2HG2 THR 98 HG21 THR 98 -10.760 -11.917 -23.868 774 3HG2 THR 98 HG23 THR 98 -9.884 -10.821 -22.793 775 H TRP 99 HN TRP 99 -13.949 -8.407 -22.357 776 HA TRP 99 HA TRP 99 -14.231 -9.745 -19.876 777 1HB TRP 99 HB2 TRP 99 -15.246 -7.143 -20.992 778 2HB TRP 99 HB1 TRP 99 -15.860 -7.711 -19.447 779 HD1 TRP 99 HD1 TRP 99 -13.215 -5.556 -20.762 780 HE1 TRP 99 HE1 TRP 99 -11.384 -5.196 -19.023 781 HE3 TRP 99 HE3 TRP 99 -14.393 -9.280 -17.430 782 HZ2 TRP 99 HZ2 TRP 99 -10.515 -6.297 -16.595 783 HZ3 TRP 99 HZ3 TRP 99 -13.010 -9.560 -15.411 784 HH2 TRP 99 HH2 TRP 99 -11.087 -8.083 -14.996 785 H ILE 100 HN ILE 100 -16.679 -8.794 -22.291 786 HA ILE 100 HA ILE 100 -18.945 -9.864 -21.037 787 HB ILE 100 HB ILE 100 -18.266 -9.313 -23.914 788 1HG1 ILE 100 HG12 ILE 100 -20.170 -7.989 -21.968 789 2HG1 ILE 100 HG11 ILE 100 -18.549 -7.416 -22.344 790 1HG2 ILE 100 HG23 ILE 100 -20.718 -10.612 -22.799 791 2HG2 ILE 100 HG22 ILE 100 -20.877 -9.489 -24.149 792 3HG2 ILE 100 HG21 ILE 100 -19.868 -10.928 -24.311 793 1HD1 ILE 100 HD12 ILE 100 -19.650 -7.655 -24.844 794 2HD1 ILE 100 HD11 ILE 100 -21.036 -7.157 -23.877 795 3HD1 ILE 100 HD13 ILE 100 -19.582 -6.160 -23.906 796 H GLN 101 HN GLN 101 -16.739 -11.398 -23.387 797 HA GLN 101 HA GLN 101 -18.111 -13.890 -23.515 798 1HB GLN 101 HB2 GLN 101 -15.313 -13.022 -24.213 799 2HB GLN 101 HB1 GLN 101 -15.808 -14.710 -24.338 800 1HG GLN 101 HG2 GLN 101 -17.796 -13.809 -25.733 801 2HG GLN 101 HG1 GLN 101 -16.855 -12.326 -25.868 802 1HE2 GLN 101 HE22 GLN 101 -14.607 -13.625 -28.225 803 2HE2 GLN 101 HE21 GLN 101 -15.110 -12.283 -27.248 804 H ALA 102 HN ALA 102 -15.468 -12.700 -21.458 805 HA ALA 102 HA ALA 102 -14.899 -15.173 -20.147 806 1HB ALA 102 HB3 ALA 102 -14.377 -12.292 -19.382 807 2HB ALA 102 HB2 ALA 102 -13.842 -13.659 -18.406 808 3HB ALA 102 HB1 ALA 102 -13.237 -13.460 -20.051 809 H ILE 103 HN ILE 103 -17.136 -12.533 -19.493 810 HA ILE 103 HA ILE 103 -17.975 -13.445 -16.904 811 HB ILE 103 HB ILE 103 -19.040 -11.442 -18.888 812 1HG1 ILE 103 HG12 ILE 103 -18.092 -10.905 -16.092 813 2HG1 ILE 103 HG11 ILE 103 -16.934 -11.114 -17.400 814 1HG2 ILE 103 HG21 ILE 103 -20.313 -12.387 -16.347 815 2HG2 ILE 103 HG23 ILE 103 -20.461 -10.701 -16.840 816 3HG2 ILE 103 HG22 ILE 103 -21.060 -11.983 -17.895 817 1HD1 ILE 103 HD13 ILE 103 -18.457 -9.335 -18.619 818 2HD1 ILE 103 HD12 ILE 103 -18.927 -8.930 -16.962 819 3HD1 ILE 103 HD11 ILE 103 -17.238 -8.825 -17.448 820 H SER 104 HN SER 104 -19.170 -13.895 -20.210 821 HA SER 104 HA SER 104 -21.630 -15.165 -19.499 822 1HB SER 104 HB2 SER 104 -20.095 -15.430 -22.095 823 2HB SER 104 HB1 SER 104 -21.807 -15.755 -21.837 824 HG SER 104 HG SER 104 -20.498 -13.221 -21.632 825 H SER 105 HN SER 105 -18.418 -16.400 -20.400 826 HA SER 105 HA SER 105 -19.198 -19.177 -20.182 827 1HB SER 105 HB2 SER 105 -16.422 -17.969 -20.321 828 2HB SER 105 HB1 SER 105 -16.854 -19.655 -20.606 829 HG SER 105 HG SER 105 -16.674 -18.611 -22.594 830 H ALA 106 HN ALA 106 -17.278 -16.915 -18.223 831 HA ALA 106 HA ALA 106 -16.666 -16.880 -16.037 832 1HB ALA 106 HB3 ALA 106 -19.190 -17.467 -15.850 833 2HB ALA 106 HB2 ALA 106 -18.618 -19.077 -15.410 834 3HB ALA 106 HB1 ALA 106 -18.153 -17.678 -14.439 No H/Q in entry = 834 Start of MODEL 37 1 1H MET 1 HT1 MET 1 -6.526 -12.556 -16.204 2 2H MET 1 HT3 MET 1 -6.554 -13.768 -15.006 3 3H MET 1 HT2 MET 1 -6.790 -14.181 -16.648 4 HA MET 1 HA MET 1 -8.849 -12.996 -16.715 5 1HB MET 1 HB2 MET 1 -8.546 -15.407 -15.684 6 2HB MET 1 HB1 MET 1 -9.042 -14.618 -14.193 7 1HG MET 1 HG2 MET 1 -11.046 -15.422 -15.112 8 2HG MET 1 HG1 MET 1 -11.039 -13.719 -15.553 9 1HE MET 1 HE3 MET 1 -12.897 -15.893 -16.797 10 2HE MET 1 HE2 MET 1 -12.409 -16.568 -18.351 11 3HE MET 1 HE1 MET 1 -11.725 -17.218 -16.860 12 H GLU 2 HN GLU 2 -7.283 -11.008 -15.659 13 HA GLU 2 HA GLU 2 -9.048 -9.835 -13.616 14 1HB GLU 2 HB2 GLU 2 -6.060 -9.521 -13.392 15 2HB GLU 2 HB1 GLU 2 -7.297 -9.145 -12.201 16 1HG GLU 2 HG2 GLU 2 -7.760 -11.603 -12.012 17 2HG GLU 2 HG1 GLU 2 -6.378 -11.896 -13.064 18 H GLY 3 HN GLY 3 -8.591 -7.452 -13.413 19 1HA GLY 3 HA2 GLY 3 -7.080 -5.834 -14.971 20 2HA GLY 3 HA1 GLY 3 -8.416 -6.254 -16.046 21 H PHE 4 HN PHE 4 -8.011 -3.648 -15.357 22 HA PHE 4 HA PHE 4 -9.743 -2.904 -13.126 23 1HB PHE 4 HB2 PHE 4 -8.090 -1.390 -15.122 24 2HB PHE 4 HB1 PHE 4 -9.315 -0.556 -14.181 25 HD1 PHE 4 HD1 PHE 4 -9.247 -1.006 -11.603 26 HD2 PHE 4 HD2 PHE 4 -5.935 -1.529 -14.250 27 HE1 PHE 4 HE1 PHE 4 -7.694 -0.763 -9.713 28 HE2 PHE 4 HE2 PHE 4 -4.380 -1.297 -12.353 29 HZ PHE 4 HZ PHE 4 -5.263 -0.907 -10.083 30 H LEU 5 HN LEU 5 -11.711 -1.910 -13.306 31 HA LEU 5 HA LEU 5 -12.979 -1.537 -15.916 32 1HB LEU 5 HB2 LEU 5 -13.713 -3.675 -13.950 33 2HB LEU 5 HB1 LEU 5 -15.013 -2.846 -14.791 34 HG LEU 5 HG LEU 5 -12.734 -4.365 -16.066 35 1HD1 LEU 5 HD13 LEU 5 -15.655 -4.933 -15.662 36 2HD1 LEU 5 HD12 LEU 5 -14.744 -5.688 -16.966 37 3HD1 LEU 5 HD11 LEU 5 -14.264 -5.953 -15.288 38 1HD2 LEU 5 HD21 LEU 5 -14.751 -2.492 -17.187 39 2HD2 LEU 5 HD23 LEU 5 -13.096 -2.807 -17.702 40 3HD2 LEU 5 HD22 LEU 5 -14.382 -3.948 -18.109 41 H ASN 6 HN ASN 6 -14.632 -0.045 -15.841 42 HA ASN 6 HA ASN 6 -14.976 1.441 -13.326 43 1HB ASN 6 HB2 ASN 6 -14.811 2.265 -16.014 44 2HB ASN 6 HB1 ASN 6 -16.510 2.441 -15.594 45 1HD2 ASN 6 HD22 ASN 6 -13.690 4.720 -13.663 46 2HD2 ASN 6 HD21 ASN 6 -13.242 3.250 -14.482 47 H ARG 7 HN ARG 7 -16.786 1.175 -12.103 48 HA ARG 7 HA ARG 7 -18.947 -0.514 -13.242 49 1HB ARG 7 HB2 ARG 7 -17.427 -1.489 -11.440 50 2HB ARG 7 HB1 ARG 7 -18.191 -0.356 -10.329 51 1HG ARG 7 HG2 ARG 7 -20.415 -1.338 -11.022 52 2HG ARG 7 HG1 ARG 7 -19.522 -2.569 -11.910 53 1HD ARG 7 HD2 ARG 7 -20.051 -3.535 -9.800 54 2HD ARG 7 HD1 ARG 7 -18.339 -3.110 -9.727 55 HE ARG 7 HE ARG 7 -19.343 -0.917 -8.620 56 1HH1 ARG 7 HH21 ARG 7 -22.045 -1.897 -8.079 57 2HH1 ARG 7 HH22 ARG 7 -21.926 -2.690 -6.532 58 1HH2 ARG 7 HH11 ARG 7 -18.431 -2.923 -6.636 59 2HH2 ARG 7 HH12 ARG 7 -19.858 -3.253 -5.696 60 H LYS 8 HN LYS 8 -21.002 -0.024 -12.904 61 HA LYS 8 HA LYS 8 -21.807 2.226 -11.197 62 1HB LYS 8 HB2 LYS 8 -21.540 3.185 -13.456 63 2HB LYS 8 HB1 LYS 8 -22.580 1.938 -14.121 64 1HG LYS 8 HG2 LYS 8 -24.180 2.994 -12.151 65 2HG LYS 8 HG1 LYS 8 -23.274 4.406 -12.650 66 1HD LYS 8 HD2 LYS 8 -24.761 4.619 -14.335 67 2HD LYS 8 HD1 LYS 8 -24.008 3.204 -15.058 68 1HE LYS 8 HE2 LYS 8 -26.222 2.536 -14.990 69 2HE LYS 8 HE1 LYS 8 -25.634 1.875 -13.471 70 1HZ LYS 8 HZ3 LYS 8 -26.831 4.574 -13.543 71 2HZ LYS 8 HZ2 LYS 8 -27.827 3.194 -13.509 72 3HZ LYS 8 HZ1 LYS 8 -26.725 3.479 -12.243 73 H HIS 9 HN HIS 9 -23.761 1.807 -10.228 74 HA HIS 9 HA HIS 9 -24.942 -0.827 -10.814 75 1HB HIS 9 HB2 HIS 9 -25.915 -0.767 -8.605 76 2HB HIS 9 HB1 HIS 9 -24.188 -0.472 -8.513 77 HD1 HIS 9 HD1 HIS 9 -26.185 0.332 -6.285 78 HD2 HIS 9 HD2 HIS 9 -24.728 2.917 -9.178 79 HE1 HIS 9 HE1 HIS 9 -26.417 2.618 -5.294 80 H GLU 10 HN GLU 10 -26.994 -1.122 -11.345 81 HA GLU 10 HA GLU 10 -28.658 1.252 -11.968 82 1HB GLU 10 HB2 GLU 10 -27.765 -0.391 -13.834 83 2HB GLU 10 HB1 GLU 10 -29.056 -1.440 -13.254 84 1HG GLU 10 HG2 GLU 10 -30.049 -0.237 -15.009 85 2HG GLU 10 HG1 GLU 10 -30.604 0.597 -13.560 86 H TRP 11 HN TRP 11 -28.633 -2.069 -10.780 87 HA TRP 11 HA TRP 11 -30.731 -1.564 -8.875 88 1HB TRP 11 HB2 TRP 11 -32.121 -1.981 -10.840 89 2HB TRP 11 HB1 TRP 11 -31.208 -3.433 -11.216 90 HD1 TRP 11 HD1 TRP 11 -33.437 -2.158 -8.255 91 HE1 TRP 11 HE1 TRP 11 -34.730 -4.175 -7.372 92 HE3 TRP 11 HE3 TRP 11 -31.501 -5.839 -11.250 93 HZ2 TRP 11 HZ2 TRP 11 -34.934 -6.940 -7.846 94 HZ3 TRP 11 HZ3 TRP 11 -32.297 -8.151 -10.981 95 HH2 TRP 11 HH2 TRP 11 -33.992 -8.696 -9.298 96 H GLU 12 HN GLU 12 -30.508 -2.951 -7.179 97 HA GLU 12 HA GLU 12 -29.089 -5.485 -7.423 98 1HB GLU 12 HB2 GLU 12 -27.387 -4.924 -5.747 99 2HB GLU 12 HB1 GLU 12 -27.231 -3.903 -7.172 100 1HG GLU 12 HG2 GLU 12 -28.639 -2.179 -5.864 101 2HG GLU 12 HG1 GLU 12 -28.302 -3.170 -4.446 102 H ALA 13 HN ALA 13 -30.797 -3.115 -5.506 103 HA ALA 13 HA ALA 13 -31.706 -5.242 -3.643 104 1HB ALA 13 HB1 ALA 13 -30.230 -3.133 -2.870 105 2HB ALA 13 HB3 ALA 13 -31.826 -2.380 -2.810 106 3HB ALA 13 HB2 ALA 13 -31.494 -3.827 -1.856 107 H HIS 14 HN HIS 14 -33.861 -5.472 -3.382 108 HA HIS 14 HA HIS 14 -35.688 -4.470 -5.282 109 1HB HIS 14 HB2 HIS 14 -35.788 -6.175 -2.884 110 2HB HIS 14 HB1 HIS 14 -37.270 -5.277 -3.160 111 HD1 HIS 14 HD1 HIS 14 -38.722 -5.988 -5.099 112 HD2 HIS 14 HD2 HIS 14 -35.155 -8.075 -4.951 113 HE1 HIS 14 HE1 HIS 14 -38.995 -7.848 -6.751 114 H ASN 15 HN ASN 15 -37.170 -2.867 -5.262 115 HA ASN 15 HA ASN 15 -38.240 -0.924 -4.738 116 1HB ASN 15 HB2 ASN 15 -38.762 -2.218 -2.584 117 2HB ASN 15 HB1 ASN 15 -37.453 -1.307 -1.838 118 1HD2 ASN 15 HD22 ASN 15 -39.959 0.985 -0.928 119 2HD2 ASN 15 HD21 ASN 15 -38.902 -0.302 -0.409 120 H LYS 16 HN LYS 16 -35.597 -0.840 -5.650 121 HA LYS 16 HA LYS 16 -34.884 1.851 -4.988 122 1HB LYS 16 HB2 LYS 16 -33.863 0.902 -3.029 123 2HB LYS 16 HB1 LYS 16 -33.121 -0.390 -3.963 124 1HG LYS 16 HG2 LYS 16 -31.612 1.154 -5.026 125 2HG LYS 16 HG1 LYS 16 -32.478 2.541 -4.369 126 1HD LYS 16 HD2 LYS 16 -31.658 0.799 -2.219 127 2HD LYS 16 HD1 LYS 16 -30.269 1.170 -3.238 128 1HE LYS 16 HE2 LYS 16 -30.469 2.813 -1.446 129 2HE LYS 16 HE1 LYS 16 -30.731 3.571 -3.014 130 1HZ LYS 16 HZ3 LYS 16 -33.019 2.594 -1.431 131 2HZ LYS 16 HZ2 LYS 16 -32.310 4.104 -1.077 132 3HZ LYS 16 HZ1 LYS 16 -32.980 3.809 -2.621 133 H LYS 17 HN LYS 17 -34.332 2.614 -6.917 134 HA LYS 17 HA LYS 17 -32.790 0.878 -8.788 135 1HB LYS 17 HB2 LYS 17 -34.997 2.867 -9.314 136 2HB LYS 17 HB1 LYS 17 -33.831 2.432 -10.563 137 1HG LYS 17 HG2 LYS 17 -35.282 0.284 -9.053 138 2HG LYS 17 HG1 LYS 17 -36.084 1.115 -10.382 139 1HD LYS 17 HD2 LYS 17 -33.324 0.070 -10.849 140 2HD LYS 17 HD1 LYS 17 -34.638 -1.098 -10.765 141 1HE LYS 17 HE2 LYS 17 -35.136 1.280 -12.462 142 2HE LYS 17 HE1 LYS 17 -33.902 0.169 -13.048 143 1HZ LYS 17 HZ3 LYS 17 -35.517 -1.644 -12.810 144 2HZ LYS 17 HZ2 LYS 17 -36.719 -0.504 -12.379 145 3HZ LYS 17 HZ1 LYS 17 -36.018 -0.463 -13.931 146 H ALA 18 HN ALA 18 -30.795 1.562 -8.966 147 HA ALA 18 HA ALA 18 -29.958 4.199 -8.145 148 1HB ALA 18 HB3 ALA 18 -28.520 1.807 -9.278 149 2HB ALA 18 HB2 ALA 18 -27.702 3.323 -8.886 150 3HB ALA 18 HB1 ALA 18 -28.502 2.396 -7.616 151 H SER 19 HN SER 19 -31.411 5.205 -9.806 152 HA SER 19 HA SER 19 -30.482 5.173 -12.571 153 1HB SER 19 HB2 SER 19 -32.608 6.953 -11.362 154 2HB SER 19 HB1 SER 19 -32.425 6.459 -13.045 155 HG SER 19 HG SER 19 -32.629 4.200 -11.875 156 H SER 20 HN SER 20 -28.495 5.925 -10.934 157 HA SER 20 HA SER 20 -28.135 8.800 -11.475 158 1HB SER 20 HB2 SER 20 -28.506 7.984 -8.966 159 2HB SER 20 HB1 SER 20 -26.807 7.538 -9.101 160 HG SER 20 HG SER 20 -26.253 9.581 -9.095 161 H ARG 21 HN ARG 21 -25.926 9.386 -11.935 162 HA ARG 21 HA ARG 21 -24.426 7.260 -13.249 163 1HB ARG 21 HB2 ARG 21 -24.308 10.247 -13.193 164 2HB ARG 21 HB1 ARG 21 -22.854 9.367 -13.652 165 1HG ARG 21 HG2 ARG 21 -23.799 9.559 -15.718 166 2HG ARG 21 HG1 ARG 21 -24.563 8.058 -15.213 167 1HD ARG 21 HD2 ARG 21 -26.252 9.509 -16.167 168 2HD ARG 21 HD1 ARG 21 -26.539 9.382 -14.429 169 HE ARG 21 HE ARG 21 -24.877 11.643 -15.056 170 1HH1 ARG 21 HH11 ARG 21 -26.935 11.840 -12.948 171 2HH1 ARG 21 HH12 ARG 21 -28.193 12.801 -13.690 172 1HH2 ARG 21 HH21 ARG 21 -27.036 12.261 -16.963 173 2HH2 ARG 21 HH22 ARG 21 -28.264 13.022 -15.980 174 H SER 22 HN SER 22 -24.315 6.378 -10.858 175 HA SER 22 HA SER 22 -22.093 7.452 -9.302 176 1HB SER 22 HB2 SER 22 -23.765 4.968 -8.879 177 2HB SER 22 HB1 SER 22 -22.595 5.639 -7.747 178 HG SER 22 HG SER 22 -24.276 7.599 -8.435 179 H TRP 23 HN TRP 23 -20.502 7.205 -10.909 180 HA TRP 23 HA TRP 23 -19.707 4.492 -11.717 181 1HB TRP 23 HB2 TRP 23 -19.072 7.265 -12.697 182 2HB TRP 23 HB1 TRP 23 -18.009 5.924 -13.095 183 HD1 TRP 23 HD1 TRP 23 -21.330 7.480 -14.097 184 HE1 TRP 23 HE1 TRP 23 -22.309 6.126 -16.043 185 HE3 TRP 23 HE3 TRP 23 -18.204 3.446 -14.017 186 HZ2 TRP 23 HZ2 TRP 23 -21.853 3.685 -17.363 187 HZ3 TRP 23 HZ3 TRP 23 -18.520 1.639 -15.629 188 HH2 TRP 23 HH2 TRP 23 -20.331 1.735 -17.294 189 H HIS 24 HN HIS 24 -17.943 3.486 -10.920 190 HA HIS 24 HA HIS 24 -15.843 5.013 -9.533 191 1HB HIS 24 HB2 HIS 24 -15.895 3.151 -7.710 192 2HB HIS 24 HB1 HIS 24 -17.009 4.504 -7.589 193 HD1 HIS 24 HD1 HIS 24 -19.527 3.997 -8.035 194 HD2 HIS 24 HD2 HIS 24 -17.106 0.638 -8.113 195 HE1 HIS 24 HE1 HIS 24 -21.106 2.056 -7.929 196 H ASN 25 HN ASN 25 -13.839 4.038 -9.539 197 HA ASN 25 HA ASN 25 -13.383 2.016 -11.574 198 1HB ASN 25 HB2 ASN 25 -11.891 4.023 -11.161 199 2HB ASN 25 HB1 ASN 25 -11.379 3.259 -9.660 200 1HD2 ASN 25 HD22 ASN 25 -8.938 1.370 -11.275 201 2HD2 ASN 25 HD21 ASN 25 -9.517 2.156 -9.845 202 H VAL 26 HN VAL 26 -12.874 -0.114 -11.240 203 HA VAL 26 HA VAL 26 -12.236 -1.082 -8.557 204 HB VAL 26 HB VAL 26 -14.836 -1.064 -9.202 205 1HG1 VAL 26 HG11 VAL 26 -14.408 -2.518 -11.227 206 2HG1 VAL 26 HG13 VAL 26 -14.050 -3.830 -10.102 207 3HG1 VAL 26 HG12 VAL 26 -15.648 -3.088 -10.114 208 1HG2 VAL 26 HG22 VAL 26 -13.794 -1.769 -7.072 209 2HG2 VAL 26 HG21 VAL 26 -15.193 -2.739 -7.530 210 3HG2 VAL 26 HG23 VAL 26 -13.563 -3.379 -7.761 211 H TYR 27 HN TYR 27 -11.498 -3.287 -8.558 212 HA TYR 27 HA TYR 27 -10.237 -4.075 -11.126 213 1HB TYR 27 HB2 TYR 27 -8.779 -3.380 -9.172 214 2HB TYR 27 HB1 TYR 27 -9.353 -4.804 -8.328 215 HD1 TYR 27 HD1 TYR 27 -7.351 -3.589 -11.153 216 HD2 TYR 27 HD2 TYR 27 -8.575 -7.009 -8.916 217 HE1 TYR 27 HE1 TYR 27 -5.611 -4.932 -12.254 218 HE2 TYR 27 HE2 TYR 27 -6.835 -8.353 -10.019 219 HH TYR 27 HH TYR 27 -4.580 -6.884 -12.370 220 H CYS 28 HN CYS 28 -11.483 -5.597 -12.031 221 HA CYS 28 HA CYS 28 -13.001 -7.492 -10.399 222 1HB CYS 28 HB2 CYS 28 -12.869 -7.075 -13.390 223 2HB CYS 28 HB1 CYS 28 -13.961 -8.183 -12.565 224 HG CYS 28 HG CYS 28 -14.198 -5.250 -11.684 225 H VAL 29 HN VAL 29 -12.589 -9.614 -10.184 226 HA VAL 29 HA VAL 29 -10.463 -10.907 -11.779 227 HB VAL 29 HB VAL 29 -10.704 -10.996 -8.762 228 1HG1 VAL 29 HG13 VAL 29 -9.236 -12.677 -10.707 229 2HG1 VAL 29 HG12 VAL 29 -8.348 -12.188 -9.265 230 3HG1 VAL 29 HG11 VAL 29 -9.865 -13.074 -9.111 231 1HG2 VAL 29 HG23 VAL 29 -8.686 -9.692 -10.574 232 2HG2 VAL 29 HG22 VAL 29 -9.693 -8.938 -9.338 233 3HG2 VAL 29 HG21 VAL 29 -8.383 -10.020 -8.866 234 H ILE 30 HN ILE 30 -11.302 -12.709 -12.636 235 HA ILE 30 HA ILE 30 -13.599 -14.061 -11.317 236 HB ILE 30 HB ILE 30 -12.740 -14.499 -14.170 237 1HG1 ILE 30 HG12 ILE 30 -14.610 -12.330 -13.190 238 2HG1 ILE 30 HG11 ILE 30 -13.043 -12.083 -13.957 239 1HG2 ILE 30 HG21 ILE 30 -15.245 -14.945 -12.575 240 2HG2 ILE 30 HG23 ILE 30 -15.282 -14.878 -14.337 241 3HG2 ILE 30 HG22 ILE 30 -14.310 -16.103 -13.521 242 1HD1 ILE 30 HD11 ILE 30 -14.400 -13.717 -15.756 243 2HD1 ILE 30 HD13 ILE 30 -15.630 -12.589 -15.184 244 3HD1 ILE 30 HD12 ILE 30 -14.144 -11.977 -15.912 245 H ASN 31 HN ASN 31 -13.304 -16.065 -10.536 246 HA ASN 31 HA ASN 31 -11.011 -17.674 -11.472 247 1HB ASN 31 HB2 ASN 31 -10.305 -16.436 -9.433 248 2HB ASN 31 HB1 ASN 31 -11.640 -17.164 -8.546 249 1HD2 ASN 31 HD22 ASN 31 -8.489 -19.554 -9.715 250 2HD2 ASN 31 HD21 ASN 31 -8.898 -18.124 -10.622 251 H ASN 32 HN ASN 32 -12.803 -18.687 -12.595 252 HA ASN 32 HA ASN 32 -14.194 -20.448 -12.942 253 1HB ASN 32 HB2 ASN 32 -12.321 -21.512 -11.507 254 2HB ASN 32 HB1 ASN 32 -13.499 -21.501 -10.198 255 1HD2 ASN 32 HD22 ASN 32 -13.942 -24.792 -11.621 256 2HD2 ASN 32 HD21 ASN 32 -12.884 -23.889 -10.566 257 H GLN 33 HN GLN 33 -16.088 -19.267 -12.969 258 HA GLN 33 HA GLN 33 -18.289 -18.938 -12.476 259 1HB GLN 33 HB2 GLN 33 -18.030 -21.273 -11.443 260 2HB GLN 33 HB1 GLN 33 -17.988 -20.445 -9.888 261 1HG GLN 33 HG2 GLN 33 -20.176 -19.317 -10.600 262 2HG GLN 33 HG1 GLN 33 -20.229 -20.493 -11.910 263 1HE2 GLN 33 HE22 GLN 33 -20.852 -21.674 -8.040 264 2HE2 GLN 33 HE21 GLN 33 -20.103 -20.144 -8.401 265 H GLU 34 HN GLU 34 -16.156 -18.471 -9.650 266 HA GLU 34 HA GLU 34 -17.909 -16.305 -8.689 267 1HB GLU 34 HB2 GLU 34 -15.526 -17.582 -7.324 268 2HB GLU 34 HB1 GLU 34 -16.698 -16.492 -6.589 269 1HG GLU 34 HG2 GLU 34 -17.338 -19.247 -7.705 270 2HG GLU 34 HG1 GLU 34 -17.106 -18.875 -5.999 271 H MET 35 HN MET 35 -17.280 -14.232 -8.555 272 HA MET 35 HA MET 35 -14.557 -13.522 -9.441 273 1HB MET 35 HB2 MET 35 -15.408 -11.621 -10.648 274 2HB MET 35 HB1 MET 35 -16.244 -13.058 -11.215 275 1HG MET 35 HG2 MET 35 -18.180 -12.505 -9.843 276 2HG MET 35 HG1 MET 35 -17.355 -11.095 -9.198 277 1HE MET 35 HE3 MET 35 -16.707 -9.117 -10.356 278 2HE MET 35 HE2 MET 35 -16.083 -9.549 -11.947 279 3HE MET 35 HE1 MET 35 -17.470 -8.472 -11.817 280 H GLY 36 HN GLY 36 -13.651 -11.668 -8.501 281 1HA GLY 36 HA2 GLY 36 -14.971 -10.721 -6.014 282 2HA GLY 36 HA1 GLY 36 -13.251 -11.078 -6.114 283 H PHE 37 HN PHE 37 -14.932 -8.583 -5.601 284 HA PHE 37 HA PHE 37 -13.899 -6.769 -7.689 285 1HB PHE 37 HB2 PHE 37 -15.949 -6.416 -5.495 286 2HB PHE 37 HB1 PHE 37 -15.354 -5.087 -6.484 287 HD1 PHE 37 HD1 PHE 37 -15.489 -5.472 -9.082 288 HD2 PHE 37 HD2 PHE 37 -17.846 -7.568 -6.197 289 HE1 PHE 37 HE1 PHE 37 -17.140 -6.016 -10.824 290 HE2 PHE 37 HE2 PHE 37 -19.501 -8.106 -7.944 291 HZ PHE 37 HZ PHE 37 -19.150 -7.332 -10.254 292 H TYR 38 HN TYR 38 -11.782 -6.476 -7.196 293 HA TYR 38 HA TYR 38 -10.995 -5.723 -4.448 294 1HB TYR 38 HB2 TYR 38 -9.335 -6.524 -6.844 295 2HB TYR 38 HB1 TYR 38 -8.687 -6.105 -5.265 296 HD1 TYR 38 HD1 TYR 38 -8.952 -7.593 -3.356 297 HD2 TYR 38 HD2 TYR 38 -10.469 -8.623 -7.206 298 HE1 TYR 38 HE1 TYR 38 -9.213 -9.932 -2.633 299 HE2 TYR 38 HE2 TYR 38 -10.722 -10.963 -6.486 300 HH TYR 38 HH TYR 38 -10.851 -11.931 -3.445 301 H LYS 39 HN LYS 39 -9.024 -4.151 -4.499 302 HA LYS 39 HA LYS 39 -9.976 -1.647 -5.651 303 1HB LYS 39 HB2 LYS 39 -9.019 -1.925 -3.309 304 2HB LYS 39 HB1 LYS 39 -7.442 -2.088 -4.065 305 1HG LYS 39 HG2 LYS 39 -7.820 0.139 -5.164 306 2HG LYS 39 HG1 LYS 39 -9.290 0.297 -4.209 307 1HD LYS 39 HD2 LYS 39 -7.955 1.316 -2.702 308 2HD LYS 39 HD1 LYS 39 -7.477 -0.319 -2.264 309 1HE LYS 39 HE2 LYS 39 -6.011 1.035 -4.495 310 2HE LYS 39 HE1 LYS 39 -5.686 1.551 -2.846 311 1HZ LYS 39 HZ2 LYS 39 -5.449 -0.992 -2.434 312 2HZ LYS 39 HZ1 LYS 39 -5.149 -1.049 -4.116 313 3HZ LYS 39 HZ3 LYS 39 -4.159 -0.106 -3.102 314 H ASP 40 HN ASP 40 -7.120 -3.742 -5.954 315 HA ASP 40 HA ASP 40 -6.676 -2.952 -8.685 316 1HB ASP 40 HB2 ASP 40 -4.527 -1.941 -8.465 317 2HB ASP 40 HB1 ASP 40 -5.607 -1.071 -7.384 318 H ALA 41 HN ALA 41 -4.128 -3.764 -9.075 319 HA ALA 41 HA ALA 41 -4.315 -6.581 -9.149 320 1HB ALA 41 HB1 ALA 41 -1.924 -4.767 -9.520 321 2HB ALA 41 HB3 ALA 41 -1.957 -6.485 -9.922 322 3HB ALA 41 HB2 ALA 41 -3.009 -5.360 -10.782 323 H LYS 42 HN LYS 42 -2.511 -4.426 -6.964 324 HA LYS 42 HA LYS 42 -1.108 -6.466 -5.555 325 1HB LYS 42 HB2 LYS 42 -1.921 -3.700 -4.626 326 2HB LYS 42 HB1 LYS 42 -0.741 -4.737 -3.835 327 1HG LYS 42 HG2 LYS 42 -0.517 -3.699 -6.675 328 2HG LYS 42 HG1 LYS 42 0.293 -2.994 -5.286 329 1HD LYS 42 HD2 LYS 42 0.751 -5.721 -6.506 330 2HD LYS 42 HD1 LYS 42 1.884 -4.380 -6.408 331 1HE LYS 42 HE2 LYS 42 0.906 -6.137 -4.154 332 2HE LYS 42 HE1 LYS 42 2.550 -5.949 -4.746 333 1HZ LYS 42 HZ3 LYS 42 2.039 -3.447 -4.081 334 2HZ LYS 42 HZ2 LYS 42 1.010 -4.228 -2.965 335 3HZ LYS 42 HZ1 LYS 42 2.677 -4.585 -2.976 336 H SER 43 HN SER 43 -4.161 -4.788 -4.926 337 HA SER 43 HA SER 43 -4.808 -6.017 -2.471 338 1HB SER 43 HB2 SER 43 -6.734 -4.982 -4.546 339 2HB SER 43 HB1 SER 43 -7.019 -5.171 -2.817 340 HG SER 43 HG SER 43 -5.344 -3.297 -4.146 341 H ALA 44 HN ALA 44 -5.371 -6.996 -5.808 342 HA ALA 44 HA ALA 44 -7.066 -9.242 -5.189 343 1HB ALA 44 HB1 ALA 44 -5.573 -8.415 -7.684 344 2HB ALA 44 HB3 ALA 44 -6.592 -9.853 -7.597 345 3HB ALA 44 HB2 ALA 44 -7.302 -8.258 -7.353 346 H ALA 45 HN ALA 45 -3.614 -8.763 -5.792 347 HA ALA 45 HA ALA 45 -2.900 -11.527 -5.908 348 1HB ALA 45 HB3 ALA 45 -1.319 -8.999 -5.455 349 2HB ALA 45 HB2 ALA 45 -0.563 -10.594 -5.466 350 3HB ALA 45 HB1 ALA 45 -1.392 -10.001 -6.904 351 H SER 46 HN SER 46 -2.805 -9.090 -3.309 352 HA SER 46 HA SER 46 -1.776 -10.915 -1.328 353 1HB SER 46 HB2 SER 46 -3.098 -8.211 -0.974 354 2HB SER 46 HB1 SER 46 -2.201 -9.099 0.256 355 HG SER 46 HG SER 46 -0.829 -8.733 -2.128 356 H GLY 47 HN GLY 47 -4.967 -9.745 -2.264 357 1HA GLY 47 HA2 GLY 47 -6.988 -10.925 -1.994 358 2HA GLY 47 HA1 GLY 47 -6.244 -11.901 -0.729 359 H ILE 48 HN ILE 48 -6.693 -8.408 -1.277 360 HA ILE 48 HA ILE 48 -7.629 -8.075 1.511 361 HB ILE 48 HB ILE 48 -6.662 -6.010 -0.489 362 1HG1 ILE 48 HG12 ILE 48 -5.242 -7.151 1.934 363 2HG1 ILE 48 HG11 ILE 48 -4.885 -7.581 0.265 364 1HG2 ILE 48 HG23 ILE 48 -7.364 -5.782 2.446 365 2HG2 ILE 48 HG22 ILE 48 -6.526 -4.535 1.523 366 3HG2 ILE 48 HG21 ILE 48 -8.175 -4.990 1.092 367 1HD1 ILE 48 HD12 ILE 48 -4.497 -5.065 -0.118 368 2HD1 ILE 48 HD11 ILE 48 -4.462 -4.935 1.642 369 3HD1 ILE 48 HD13 ILE 48 -3.281 -5.942 0.808 370 HA PRO 49 HA PRO 49 -11.689 -7.542 -0.341 371 1HB PRO 49 HB2 PRO 49 -13.075 -7.033 1.943 372 2HB PRO 49 HB1 PRO 49 -12.558 -8.649 1.445 373 1HG PRO 49 HG2 PRO 49 -11.404 -6.838 3.500 374 2HG PRO 49 HG1 PRO 49 -11.516 -8.604 3.484 375 1HD PRO 49 HD2 PRO 49 -9.234 -7.149 2.894 376 2HD PRO 49 HD1 PRO 49 -9.527 -8.827 2.408 377 H TYR 50 HN TYR 50 -12.140 -5.756 -1.459 378 HA TYR 50 HA TYR 50 -11.433 -3.102 -0.697 379 1HB TYR 50 HB2 TYR 50 -11.587 -3.930 -3.033 380 2HB TYR 50 HB1 TYR 50 -13.329 -4.039 -2.863 381 HD1 TYR 50 HD1 TYR 50 -10.928 -1.337 -1.842 382 HD2 TYR 50 HD2 TYR 50 -14.251 -2.474 -4.275 383 HE1 TYR 50 HE1 TYR 50 -11.132 0.978 -2.654 384 HE2 TYR 50 HE2 TYR 50 -14.457 -0.155 -5.071 385 HH TYR 50 HH TYR 50 -13.779 2.206 -4.086 386 H HIS 51 HN HIS 51 -14.418 -4.957 -0.578 387 HA HIS 51 HA HIS 51 -15.647 -2.932 1.171 388 1HB HIS 51 HB2 HIS 51 -16.690 -3.921 -1.456 389 2HB HIS 51 HB1 HIS 51 -17.856 -3.706 -0.162 390 HD1 HIS 51 HD1 HIS 51 -17.976 -1.255 0.886 391 HD2 HIS 51 HD2 HIS 51 -15.990 -1.567 -2.731 392 HE1 HIS 51 HE1 HIS 51 -17.852 1.091 0.009 393 H SER 52 HN SER 52 -18.086 -4.307 1.512 394 HA SER 52 HA SER 52 -17.242 -6.491 3.232 395 1HB SER 52 HB2 SER 52 -20.025 -6.488 3.222 396 2HB SER 52 HB1 SER 52 -18.996 -5.633 4.364 397 HG SER 52 HG SER 52 -20.401 -4.662 2.122 398 H GLU 53 HN GLU 53 -19.724 -6.212 0.694 399 HA GLU 53 HA GLU 53 -19.712 -9.073 0.163 400 1HB GLU 53 HB2 GLU 53 -21.178 -6.888 -1.331 401 2HB GLU 53 HB1 GLU 53 -21.571 -8.600 -1.270 402 1HG GLU 53 HG2 GLU 53 -23.048 -7.953 0.320 403 2HG GLU 53 HG1 GLU 53 -21.645 -7.980 1.383 404 H VAL 54 HN VAL 54 -17.364 -8.961 -0.426 405 HA VAL 54 HA VAL 54 -16.619 -7.712 -2.925 406 HB VAL 54 HB VAL 54 -15.011 -9.698 -1.325 407 1HG1 VAL 54 HG12 VAL 54 -14.518 -8.163 -3.716 408 2HG1 VAL 54 HG11 VAL 54 -13.383 -7.718 -2.445 409 3HG1 VAL 54 HG13 VAL 54 -13.521 -9.403 -2.953 410 1HG2 VAL 54 HG22 VAL 54 -15.678 -6.863 -0.778 411 2HG2 VAL 54 HG21 VAL 54 -15.290 -8.178 0.334 412 3HG2 VAL 54 HG23 VAL 54 -14.001 -7.353 -0.537 413 HA PRO 55 HA PRO 55 -16.540 -12.195 -4.544 414 1HB PRO 55 HB2 PRO 55 -17.630 -14.210 -3.085 415 2HB PRO 55 HB1 PRO 55 -15.952 -13.679 -2.929 416 1HG PRO 55 HG2 PRO 55 -18.214 -13.282 -1.098 417 2HG PRO 55 HG1 PRO 55 -16.478 -13.242 -0.771 418 1HD PRO 55 HD2 PRO 55 -18.254 -11.034 -1.109 419 2HD PRO 55 HD1 PRO 55 -16.505 -10.993 -0.829 420 H VAL 56 HN VAL 56 -17.909 -12.326 -6.181 421 HA VAL 56 HA VAL 56 -20.818 -12.618 -5.710 422 HB VAL 56 HB VAL 56 -19.423 -10.821 -7.702 423 1HG1 VAL 56 HG12 VAL 56 -22.256 -11.812 -7.630 424 2HG1 VAL 56 HG11 VAL 56 -21.887 -10.207 -8.264 425 3HG1 VAL 56 HG13 VAL 56 -21.165 -11.631 -9.010 426 1HG2 VAL 56 HG21 VAL 56 -21.161 -10.353 -5.301 427 2HG2 VAL 56 HG23 VAL 56 -19.594 -9.643 -5.698 428 3HG2 VAL 56 HG22 VAL 56 -21.037 -9.142 -6.581 429 H SER 57 HN SER 57 -21.848 -14.041 -7.079 430 HA SER 57 HA SER 57 -20.155 -15.887 -8.556 431 1HB SER 57 HB2 SER 57 -23.085 -16.071 -7.974 432 2HB SER 57 HB1 SER 57 -21.992 -17.365 -8.397 433 HG SER 57 HG SER 57 -20.859 -16.908 -6.386 434 H LEU 58 HN LEU 58 -20.104 -16.065 -10.726 435 HA LEU 58 HA LEU 58 -21.864 -14.371 -12.390 436 1HB LEU 58 HB2 LEU 58 -19.272 -15.833 -12.951 437 2HB LEU 58 HB1 LEU 58 -20.245 -15.103 -14.223 438 HG LEU 58 HG LEU 58 -19.144 -13.620 -11.848 439 1HD1 LEU 58 HD21 LEU 58 -17.406 -14.485 -13.434 440 2HD1 LEU 58 HD23 LEU 58 -18.163 -13.514 -14.699 441 3HD1 LEU 58 HD22 LEU 58 -17.450 -12.728 -13.289 442 1HD2 LEU 58 HD13 LEU 58 -20.904 -12.871 -14.109 443 2HD2 LEU 58 HD12 LEU 58 -20.852 -12.246 -12.459 444 3HD2 LEU 58 HD11 LEU 58 -19.662 -11.707 -13.647 445 H LYS 59 HN LYS 59 -23.167 -16.431 -11.218 446 HA LYS 59 HA LYS 59 -23.268 -18.786 -12.904 447 1HB LYS 59 HB2 LYS 59 -23.628 -18.911 -10.472 448 2HB LYS 59 HB1 LYS 59 -25.045 -17.878 -10.626 449 1HG LYS 59 HG2 LYS 59 -26.097 -19.595 -12.079 450 2HG LYS 59 HG1 LYS 59 -24.692 -20.630 -11.841 451 1HD LYS 59 HD2 LYS 59 -26.147 -21.449 -10.238 452 2HD LYS 59 HD1 LYS 59 -25.212 -20.289 -9.304 453 1HE LYS 59 HE2 LYS 59 -27.355 -19.697 -8.669 454 2HE LYS 59 HE1 LYS 59 -27.110 -18.616 -10.037 455 1HZ LYS 59 HZ1 LYS 59 -28.215 -20.333 -11.441 456 2HZ LYS 59 HZ3 LYS 59 -28.613 -21.168 -10.004 457 3HZ LYS 59 HZ2 LYS 59 -29.226 -19.598 -10.282 458 H GLU 60 HN GLU 60 -24.137 -18.531 -14.887 459 HA GLU 60 HA GLU 60 -25.577 -17.999 -16.585 460 1HB GLU 60 HB2 GLU 60 -27.685 -17.801 -14.418 461 2HB GLU 60 HB1 GLU 60 -27.942 -18.115 -16.130 462 1HG GLU 60 HG2 GLU 60 -27.091 -20.293 -15.998 463 2HG GLU 60 HG1 GLU 60 -26.247 -19.978 -14.485 464 H ALA 61 HN ALA 61 -24.095 -15.910 -16.062 465 HA ALA 61 HA ALA 61 -25.695 -13.549 -15.427 466 1HB ALA 61 HB3 ALA 61 -23.259 -13.950 -14.694 467 2HB ALA 61 HB2 ALA 61 -22.823 -13.552 -16.358 468 3HB ALA 61 HB1 ALA 61 -23.662 -12.364 -15.356 469 H ILE 62 HN ILE 62 -26.793 -12.485 -16.918 470 HA ILE 62 HA ILE 62 -26.296 -12.888 -19.774 471 HB ILE 62 HB ILE 62 -28.368 -11.089 -18.504 472 1HG1 ILE 62 HG12 ILE 62 -29.831 -13.238 -19.141 473 2HG1 ILE 62 HG11 ILE 62 -28.320 -14.062 -18.769 474 1HG2 ILE 62 HG21 ILE 62 -27.733 -11.106 -21.050 475 2HG2 ILE 62 HG23 ILE 62 -28.727 -12.563 -21.075 476 3HG2 ILE 62 HG22 ILE 62 -29.418 -11.026 -20.545 477 1HD1 ILE 62 HD12 ILE 62 -29.265 -12.009 -16.818 478 2HD1 ILE 62 HD11 ILE 62 -30.159 -13.529 -16.900 479 3HD1 ILE 62 HD13 ILE 62 -28.434 -13.540 -16.539 480 H CYS 63 HN CYS 63 -25.354 -11.370 -21.084 481 HA CYS 63 HA CYS 63 -24.553 -8.790 -19.849 482 1HB CYS 63 HB2 CYS 63 -22.817 -10.799 -20.298 483 2HB CYS 63 HB1 CYS 63 -22.757 -10.016 -21.867 484 HG CYS 63 HG CYS 63 -21.497 -8.972 -19.346 485 H GLU 64 HN GLU 64 -25.357 -7.135 -20.879 486 HA GLU 64 HA GLU 64 -26.045 -7.322 -23.760 487 1HB GLU 64 HB2 GLU 64 -27.122 -5.292 -21.801 488 2HB GLU 64 HB1 GLU 64 -27.762 -5.732 -23.381 489 1HG GLU 64 HG2 GLU 64 -28.375 -7.958 -22.511 490 2HG GLU 64 HG1 GLU 64 -27.742 -7.514 -20.926 491 H VAL 65 HN VAL 65 -24.879 -6.088 -25.123 492 HA VAL 65 HA VAL 65 -22.780 -4.378 -24.135 493 HB VAL 65 HB VAL 65 -23.749 -4.710 -26.980 494 1HG1 VAL 65 HG12 VAL 65 -21.320 -3.503 -25.714 495 2HG1 VAL 65 HG11 VAL 65 -21.199 -4.229 -27.316 496 3HG1 VAL 65 HG13 VAL 65 -22.312 -2.891 -27.038 497 1HG2 VAL 65 HG21 VAL 65 -21.694 -6.307 -25.444 498 2HG2 VAL 65 HG23 VAL 65 -23.212 -6.904 -26.114 499 3HG2 VAL 65 HG22 VAL 65 -21.919 -6.384 -27.189 500 H ALA 66 HN ALA 66 -22.860 -2.281 -23.734 501 HA ALA 66 HA ALA 66 -25.186 -0.688 -24.639 502 1HB ALA 66 HB1 ALA 66 -23.473 -0.484 -22.155 503 2HB ALA 66 HB3 ALA 66 -24.628 0.758 -22.644 504 3HB ALA 66 HB2 ALA 66 -25.192 -0.865 -22.254 505 H LEU 67 HN LEU 67 -24.409 0.084 -26.529 506 HA LEU 67 HA LEU 67 -21.812 1.487 -26.611 507 1HB LEU 67 HB2 LEU 67 -23.298 -0.091 -28.474 508 2HB LEU 67 HB1 LEU 67 -23.178 1.535 -29.134 509 HG LEU 67 HG LEU 67 -20.817 -0.015 -28.080 510 1HD1 LEU 67 HD13 LEU 67 -22.116 -0.941 -30.157 511 2HD1 LEU 67 HD12 LEU 67 -21.311 0.386 -30.991 512 3HD1 LEU 67 HD11 LEU 67 -20.352 -0.852 -30.176 513 1HD2 LEU 67 HD23 LEU 67 -21.184 2.629 -29.407 514 2HD2 LEU 67 HD22 LEU 67 -20.098 2.167 -28.091 515 3HD2 LEU 67 HD21 LEU 67 -19.721 1.708 -29.753 516 H ASP 68 HN ASP 68 -25.224 1.993 -27.468 517 HA ASP 68 HA ASP 68 -24.885 4.854 -27.792 518 1HB ASP 68 HB2 ASP 68 -27.249 4.857 -28.412 519 2HB ASP 68 HB1 ASP 68 -26.366 3.626 -29.303 520 H TYR 69 HN TYR 69 -24.443 3.721 -25.074 521 HA TYR 69 HA TYR 69 -26.684 4.625 -23.460 522 1HB TYR 69 HB2 TYR 69 -25.337 2.700 -22.762 523 2HB TYR 69 HB1 TYR 69 -23.915 3.716 -22.663 524 HD1 TYR 69 HD1 TYR 69 -27.424 4.196 -21.451 525 HD2 TYR 69 HD2 TYR 69 -23.289 3.901 -20.422 526 HE1 TYR 69 HE1 TYR 69 -27.970 4.649 -19.100 527 HE2 TYR 69 HE2 TYR 69 -23.845 4.358 -18.075 528 HH TYR 69 HH TYR 69 -25.448 5.080 -16.665 529 H LYS 70 HN LYS 70 -24.809 6.389 -25.243 530 HA LYS 70 HA LYS 70 -24.069 8.533 -25.327 531 1HB LYS 70 HB2 LYS 70 -25.856 8.838 -22.905 532 2HB LYS 70 HB1 LYS 70 -25.196 10.164 -23.862 533 1HG LYS 70 HG2 LYS 70 -26.350 9.250 -25.866 534 2HG LYS 70 HG1 LYS 70 -27.065 7.995 -24.857 535 1HD LYS 70 HD2 LYS 70 -28.097 9.815 -23.466 536 2HD LYS 70 HD1 LYS 70 -27.514 10.982 -24.651 537 1HE LYS 70 HE2 LYS 70 -29.519 8.755 -25.077 538 2HE LYS 70 HE1 LYS 70 -29.796 10.489 -25.203 539 1HZ LYS 70 HZ2 LYS 70 -27.945 10.290 -27.029 540 2HZ LYS 70 HZ1 LYS 70 -28.474 8.666 -27.083 541 3HZ LYS 70 HZ3 LYS 70 -29.577 9.925 -27.382 542 H LYS 71 HN LYS 71 -21.960 7.583 -24.795 543 HA LYS 71 HA LYS 71 -20.601 9.140 -22.826 544 1HB LYS 71 HB2 LYS 71 -19.985 7.556 -21.208 545 2HB LYS 71 HB1 LYS 71 -21.693 7.235 -21.449 546 1HG LYS 71 HG2 LYS 71 -19.535 5.657 -22.877 547 2HG LYS 71 HG1 LYS 71 -20.154 5.214 -21.301 548 1HD LYS 71 HD2 LYS 71 -22.131 4.485 -22.106 549 2HD LYS 71 HD1 LYS 71 -22.219 5.711 -23.357 550 1HE LYS 71 HE2 LYS 71 -20.483 3.232 -23.431 551 2HE LYS 71 HE1 LYS 71 -21.995 3.446 -24.304 552 1HZ LYS 71 HZ3 LYS 71 -20.432 5.618 -24.977 553 2HZ LYS 71 HZ2 LYS 71 -19.388 4.274 -25.024 554 3HZ LYS 71 HZ1 LYS 71 -20.808 4.282 -25.955 555 H LYS 72 HN LYS 72 -18.261 8.426 -22.681 556 HA LYS 72 HA LYS 72 -17.342 7.589 -25.365 557 1HB LYS 72 HB2 LYS 72 -15.888 8.988 -23.094 558 2HB LYS 72 HB1 LYS 72 -15.121 8.462 -24.588 559 1HG LYS 72 HG2 LYS 72 -17.554 10.210 -24.732 560 2HG LYS 72 HG1 LYS 72 -15.994 10.933 -24.356 561 1HD LYS 72 HD2 LYS 72 -16.118 9.083 -26.685 562 2HD LYS 72 HD1 LYS 72 -16.872 10.664 -26.862 563 1HE LYS 72 HE2 LYS 72 -14.874 11.789 -26.723 564 2HE LYS 72 HE1 LYS 72 -14.127 10.568 -25.701 565 1HZ LYS 72 HZ1 LYS 72 -14.719 10.186 -28.582 566 2HZ LYS 72 HZ3 LYS 72 -13.212 10.685 -27.976 567 3HZ LYS 72 HZ2 LYS 72 -13.824 9.144 -27.569 568 H LYS 73 HN LYS 73 -16.336 5.668 -25.646 569 HA LYS 73 HA LYS 73 -15.107 3.773 -25.186 570 1HB LYS 73 HB2 LYS 73 -15.619 4.195 -22.230 571 2HB LYS 73 HB1 LYS 73 -14.567 3.006 -22.968 572 1HG LYS 73 HG2 LYS 73 -14.015 5.842 -23.666 573 2HG LYS 73 HG1 LYS 73 -13.653 5.349 -22.018 574 1HD LYS 73 HD2 LYS 73 -12.350 3.421 -22.991 575 2HD LYS 73 HD1 LYS 73 -12.587 4.141 -24.578 576 1HE LYS 73 HE2 LYS 73 -10.658 5.239 -24.172 577 2HE LYS 73 HE1 LYS 73 -11.630 6.270 -23.131 578 1HZ LYS 73 HZ1 LYS 73 -11.089 4.374 -21.412 579 2HZ LYS 73 HZ3 LYS 73 -9.744 4.153 -22.428 580 3HZ LYS 73 HZ2 LYS 73 -10.010 5.666 -21.687 581 H HIS 74 HN HIS 74 -15.731 1.629 -24.838 582 HA HIS 74 HA HIS 74 -18.561 1.199 -25.170 583 1HB HIS 74 HB2 HIS 74 -16.135 -0.580 -25.177 584 2HB HIS 74 HB1 HIS 74 -17.748 -1.275 -25.179 585 HD1 HIS 74 HD1 HIS 74 -16.763 1.793 -27.123 586 HD2 HIS 74 HD2 HIS 74 -17.771 -2.162 -27.814 587 HE1 HIS 74 HE1 HIS 74 -16.956 1.598 -29.612 588 H VAL 75 HN VAL 75 -20.039 0.451 -23.779 589 HA VAL 75 HA VAL 75 -19.197 -0.380 -21.064 590 HB VAL 75 HB VAL 75 -21.540 1.312 -21.959 591 1HG1 VAL 75 HG12 VAL 75 -21.069 -0.061 -19.326 592 2HG1 VAL 75 HG11 VAL 75 -21.998 1.433 -19.425 593 3HG1 VAL 75 HG13 VAL 75 -22.538 0.000 -20.298 594 1HG2 VAL 75 HG23 VAL 75 -19.314 2.412 -21.658 595 2HG2 VAL 75 HG22 VAL 75 -20.583 3.035 -20.601 596 3HG2 VAL 75 HG21 VAL 75 -19.366 1.929 -19.959 597 H PHE 76 HN PHE 76 -20.638 -1.962 -20.056 598 HA PHE 76 HA PHE 76 -22.598 -3.278 -21.782 599 1HB PHE 76 HB2 PHE 76 -21.679 -5.519 -21.397 600 2HB PHE 76 HB1 PHE 76 -20.589 -4.510 -22.327 601 HD1 PHE 76 HD1 PHE 76 -18.471 -3.739 -21.387 602 HD2 PHE 76 HD2 PHE 76 -21.095 -6.279 -19.176 603 HE1 PHE 76 HE1 PHE 76 -16.666 -4.190 -19.779 604 HE2 PHE 76 HE2 PHE 76 -19.284 -6.743 -17.568 605 HZ PHE 76 HZ PHE 76 -17.022 -5.861 -17.973 606 H LYS 77 HN LYS 77 -24.228 -4.254 -20.659 607 HA LYS 77 HA LYS 77 -24.316 -3.676 -17.770 608 1HB LYS 77 HB2 LYS 77 -26.649 -4.637 -19.393 609 2HB LYS 77 HB1 LYS 77 -26.643 -3.672 -17.927 610 1HG LYS 77 HG2 LYS 77 -25.336 -1.970 -19.538 611 2HG LYS 77 HG1 LYS 77 -26.269 -2.838 -20.753 612 1HD LYS 77 HD2 LYS 77 -27.517 -1.652 -18.268 613 2HD LYS 77 HD1 LYS 77 -27.358 -0.745 -19.767 614 1HE LYS 77 HE2 LYS 77 -29.528 -1.614 -19.895 615 2HE LYS 77 HE1 LYS 77 -28.586 -2.739 -20.867 616 1HZ LYS 77 HZ2 LYS 77 -28.628 -3.527 -18.134 617 2HZ LYS 77 HZ1 LYS 77 -30.214 -3.345 -18.735 618 3HZ LYS 77 HZ3 LYS 77 -29.125 -4.389 -19.518 619 H LEU 78 HN LEU 78 -23.797 -5.269 -16.452 620 HA LEU 78 HA LEU 78 -24.053 -8.072 -17.277 621 1HB LEU 78 HB2 LEU 78 -22.200 -6.595 -15.688 622 2HB LEU 78 HB1 LEU 78 -22.967 -7.772 -14.637 623 HG LEU 78 HG LEU 78 -21.450 -8.268 -17.181 624 1HD1 LEU 78 HD22 LEU 78 -21.053 -9.004 -14.290 625 2HD1 LEU 78 HD21 LEU 78 -20.181 -9.811 -15.593 626 3HD1 LEU 78 HD23 LEU 78 -19.982 -8.077 -15.342 627 1HD2 LEU 78 HD11 LEU 78 -23.617 -9.837 -16.057 628 2HD2 LEU 78 HD13 LEU 78 -22.750 -10.045 -17.582 629 3HD2 LEU 78 HD12 LEU 78 -22.116 -10.753 -16.090 630 H ARG 79 HN ARG 79 -25.897 -9.065 -16.810 631 HA ARG 79 HA ARG 79 -27.486 -8.242 -14.448 632 1HB ARG 79 HB2 ARG 79 -28.560 -8.136 -16.706 633 2HB ARG 79 HB1 ARG 79 -28.355 -9.874 -16.845 634 1HG ARG 79 HG2 ARG 79 -29.729 -10.175 -14.802 635 2HG ARG 79 HG1 ARG 79 -29.977 -8.434 -14.747 636 1HD ARG 79 HD2 ARG 79 -30.716 -8.991 -17.322 637 2HD ARG 79 HD1 ARG 79 -31.220 -10.463 -16.497 638 HE ARG 79 HE ARG 79 -32.519 -7.935 -16.357 639 1HH1 ARG 79 HH11 ARG 79 -33.018 -11.025 -15.371 640 2HH1 ARG 79 HH12 ARG 79 -33.661 -10.672 -13.784 641 1HH2 ARG 79 HH21 ARG 79 -32.679 -7.278 -13.871 642 2HH2 ARG 79 HH22 ARG 79 -33.518 -8.509 -12.950 643 H LEU 80 HN LEU 80 -27.059 -9.475 -12.734 644 HA LEU 80 HA LEU 80 -26.164 -12.254 -13.021 645 1HB LEU 80 HB2 LEU 80 -26.611 -10.752 -10.440 646 2HB LEU 80 HB1 LEU 80 -25.596 -12.160 -10.713 647 HG LEU 80 HG LEU 80 -25.104 -9.380 -11.783 648 1HD1 LEU 80 HD13 LEU 80 -24.712 -9.876 -9.298 649 2HD1 LEU 80 HD12 LEU 80 -23.394 -10.912 -9.840 650 3HD1 LEU 80 HD11 LEU 80 -23.365 -9.185 -10.206 651 1HD2 LEU 80 HD22 LEU 80 -23.452 -11.896 -12.071 652 2HD2 LEU 80 HD21 LEU 80 -24.312 -11.059 -13.365 653 3HD2 LEU 80 HD23 LEU 80 -22.950 -10.279 -12.564 654 H SER 81 HN SER 81 -27.308 -14.008 -12.403 655 HA SER 81 HA SER 81 -30.113 -14.013 -12.502 656 1HB SER 81 HB2 SER 81 -29.869 -16.383 -11.674 657 2HB SER 81 HB1 SER 81 -28.934 -15.982 -13.114 658 HG SER 81 HG SER 81 -27.216 -16.550 -12.037 659 H ASP 82 HN ASP 82 -27.982 -13.540 -9.812 660 HA ASP 82 HA ASP 82 -29.804 -14.271 -7.726 661 1HB ASP 82 HB2 ASP 82 -27.161 -13.956 -7.727 662 2HB ASP 82 HB1 ASP 82 -27.586 -12.321 -7.222 663 H GLY 83 HN GLY 83 -30.026 -11.818 -9.885 664 1HA GLY 83 HA2 GLY 83 -31.676 -10.169 -9.957 665 2HA GLY 83 HA1 GLY 83 -31.863 -10.287 -8.210 666 H ASN 84 HN ASN 84 -29.230 -9.474 -10.522 667 HA ASN 84 HA ASN 84 -28.869 -6.857 -9.216 668 1HB ASN 84 HB2 ASN 84 -26.742 -9.002 -9.382 669 2HB ASN 84 HB1 ASN 84 -26.334 -7.299 -9.259 670 1HD2 ASN 84 HD22 ASN 84 -27.708 -9.350 -6.015 671 2HD2 ASN 84 HD21 ASN 84 -27.713 -10.033 -7.608 672 H GLU 85 HN GLU 85 -28.053 -5.301 -10.580 673 HA GLU 85 HA GLU 85 -27.237 -6.069 -13.317 674 1HB GLU 85 HB2 GLU 85 -29.466 -4.201 -12.524 675 2HB GLU 85 HB1 GLU 85 -28.636 -4.030 -14.069 676 1HG GLU 85 HG2 GLU 85 -29.219 -6.354 -14.645 677 2HG GLU 85 HG1 GLU 85 -30.049 -6.527 -13.099 678 H TYR 86 HN TYR 86 -25.271 -5.186 -13.677 679 HA TYR 86 HA TYR 86 -24.689 -2.477 -12.612 680 1HB TYR 86 HB2 TYR 86 -22.695 -4.745 -12.614 681 2HB TYR 86 HB1 TYR 86 -22.471 -3.131 -11.962 682 HD1 TYR 86 HD1 TYR 86 -23.974 -2.426 -10.007 683 HD2 TYR 86 HD2 TYR 86 -23.420 -6.473 -11.240 684 HE1 TYR 86 HE1 TYR 86 -24.776 -3.205 -7.816 685 HE2 TYR 86 HE2 TYR 86 -24.210 -7.255 -9.047 686 HH TYR 86 HH TYR 86 -24.338 -5.513 -6.393 687 H LEU 87 HN LEU 87 -23.901 -1.131 -14.109 688 HA LEU 87 HA LEU 87 -23.212 -1.962 -16.759 689 1HB LEU 87 HB2 LEU 87 -23.709 0.586 -15.296 690 2HB LEU 87 HB1 LEU 87 -22.673 0.663 -16.713 691 HG LEU 87 HG LEU 87 -24.393 -0.622 -17.908 692 1HD1 LEU 87 HD22 LEU 87 -25.771 -0.278 -15.352 693 2HD1 LEU 87 HD21 LEU 87 -26.730 -0.229 -16.831 694 3HD1 LEU 87 HD23 LEU 87 -25.740 -1.646 -16.466 695 1HD2 LEU 87 HD11 LEU 87 -24.944 2.153 -16.911 696 2HD2 LEU 87 HD13 LEU 87 -24.268 1.662 -18.465 697 3HD2 LEU 87 HD12 LEU 87 -25.975 1.388 -18.120 698 H PHE 88 HN PHE 88 -21.235 -2.307 -17.467 699 HA PHE 88 HA PHE 88 -18.910 -1.493 -15.804 700 1HB PHE 88 HB2 PHE 88 -19.481 -4.010 -17.315 701 2HB PHE 88 HB1 PHE 88 -17.818 -3.518 -17.015 702 HD1 PHE 88 HD1 PHE 88 -17.075 -3.151 -14.628 703 HD2 PHE 88 HD2 PHE 88 -20.760 -5.044 -15.640 704 HE1 PHE 88 HE1 PHE 88 -17.201 -4.120 -12.369 705 HE2 PHE 88 HE2 PHE 88 -20.885 -6.017 -13.390 706 HZ PHE 88 HZ PHE 88 -19.096 -5.545 -11.745 707 H GLN 89 HN GLN 89 -17.402 -0.285 -16.745 708 HA GLN 89 HA GLN 89 -17.580 0.245 -19.659 709 1HB GLN 89 HB2 GLN 89 -17.915 2.109 -17.928 710 2HB GLN 89 HB1 GLN 89 -16.195 1.969 -17.619 711 1HG GLN 89 HG2 GLN 89 -15.629 2.620 -19.838 712 2HG GLN 89 HG1 GLN 89 -17.294 2.450 -20.390 713 1HE2 GLN 89 HE22 GLN 89 -18.350 5.425 -18.522 714 2HE2 GLN 89 HE21 GLN 89 -18.811 3.767 -18.723 715 H ALA 90 HN ALA 90 -16.007 -0.532 -20.880 716 HA ALA 90 HA ALA 90 -13.504 -1.509 -19.685 717 1HB ALA 90 HB1 ALA 90 -14.649 -1.824 -22.472 718 2HB ALA 90 HB3 ALA 90 -13.160 -2.570 -21.887 719 3HB ALA 90 HB2 ALA 90 -14.707 -3.022 -21.176 720 H LYS 91 HN LYS 91 -11.447 -1.000 -20.750 721 HA LYS 91 HA LYS 91 -11.250 1.841 -21.345 722 1HB LYS 91 HB2 LYS 91 -8.803 1.401 -21.427 723 2HB LYS 91 HB1 LYS 91 -9.563 0.904 -19.924 724 1HG LYS 91 HG2 LYS 91 -9.744 -1.416 -21.243 725 2HG LYS 91 HG1 LYS 91 -8.379 -0.748 -22.107 726 1HD LYS 91 HD2 LYS 91 -7.708 -2.187 -20.220 727 2HD LYS 91 HD1 LYS 91 -7.112 -0.541 -20.073 728 1HE LYS 91 HE2 LYS 91 -7.966 -1.515 -17.931 729 2HE LYS 91 HE1 LYS 91 -8.757 -0.019 -18.388 730 1HZ LYS 91 HZ1 LYS 91 -10.114 -2.331 -19.407 731 2HZ LYS 91 HZ3 LYS 91 -9.991 -2.337 -17.710 732 3HZ LYS 91 HZ2 LYS 91 -10.718 -1.020 -18.503 733 H ASP 92 HN ASP 92 -10.954 -1.197 -23.076 734 HA ASP 92 HA ASP 92 -10.884 0.282 -25.647 735 1HB ASP 92 HB2 ASP 92 -8.663 -0.873 -24.922 736 2HB ASP 92 HB1 ASP 92 -9.494 -2.383 -25.287 737 H ASP 93 HN ASP 93 -12.012 -0.736 -27.371 738 HA ASP 93 HA ASP 93 -14.381 -2.103 -26.602 739 1HB ASP 93 HB2 ASP 93 -15.096 -1.880 -28.780 740 2HB ASP 93 HB1 ASP 93 -13.904 -0.594 -28.697 741 H GLU 94 HN GLU 94 -11.278 -3.231 -27.785 742 HA GLU 94 HA GLU 94 -12.012 -5.934 -28.348 743 1HB GLU 94 HB2 GLU 94 -9.361 -4.714 -27.537 744 2HB GLU 94 HB1 GLU 94 -9.568 -6.382 -28.070 745 1HG GLU 94 HG2 GLU 94 -10.591 -5.444 -30.202 746 2HG GLU 94 HG1 GLU 94 -10.023 -3.859 -29.671 747 H GLU 95 HN GLU 95 -11.012 -4.198 -25.454 748 HA GLU 95 HA GLU 95 -10.710 -6.449 -23.732 749 1HB GLU 95 HB2 GLU 95 -9.925 -3.975 -23.407 750 2HB GLU 95 HB1 GLU 95 -11.537 -3.737 -22.736 751 1HG GLU 95 HG2 GLU 95 -10.854 -5.966 -21.400 752 2HG GLU 95 HG1 GLU 95 -9.241 -5.326 -21.687 753 H MET 96 HN MET 96 -13.406 -4.290 -24.527 754 HA MET 96 HA MET 96 -15.324 -5.148 -22.670 755 1HB MET 96 HB2 MET 96 -15.539 -3.196 -24.224 756 2HB MET 96 HB1 MET 96 -15.833 -4.325 -25.539 757 1HG MET 96 HG2 MET 96 -17.674 -5.175 -23.718 758 2HG MET 96 HG1 MET 96 -17.611 -3.458 -23.353 759 1HE MET 96 HE1 MET 96 -17.639 -6.027 -26.049 760 2HE MET 96 HE3 MET 96 -19.055 -5.627 -27.028 761 3HE MET 96 HE2 MET 96 -17.488 -4.918 -27.412 762 H ASN 97 HN ASN 97 -14.579 -6.390 -25.921 763 HA ASN 97 HA ASN 97 -16.516 -8.471 -25.989 764 1HB ASN 97 HB2 ASN 97 -15.539 -7.776 -28.049 765 2HB ASN 97 HB1 ASN 97 -13.904 -8.035 -27.452 766 1HD2 ASN 97 HD22 ASN 97 -16.132 -11.227 -28.761 767 2HD2 ASN 97 HD21 ASN 97 -16.902 -9.724 -28.332 768 H THR 98 HN THR 98 -13.092 -8.433 -25.007 769 HA THR 98 HA THR 98 -12.834 -11.181 -24.397 770 HB THR 98 HB THR 98 -11.324 -8.995 -22.962 771 HG1 THR 98 HG1 THR 98 -11.311 -8.519 -25.215 772 1HG2 THR 98 HG23 THR 98 -11.042 -11.512 -22.446 773 2HG2 THR 98 HG22 THR 98 -10.255 -11.603 -24.021 774 3HG2 THR 98 HG21 THR 98 -9.588 -10.566 -22.760 775 H TRP 99 HN TRP 99 -13.896 -8.433 -22.397 776 HA TRP 99 HA TRP 99 -14.091 -9.866 -19.938 777 1HB TRP 99 HB2 TRP 99 -15.149 -7.253 -20.967 778 2HB TRP 99 HB1 TRP 99 -15.825 -7.910 -19.484 779 HD1 TRP 99 HD1 TRP 99 -13.204 -5.614 -20.527 780 HE1 TRP 99 HE1 TRP 99 -11.451 -5.313 -18.694 781 HE3 TRP 99 HE3 TRP 99 -14.359 -9.604 -17.524 782 HZ2 TRP 99 HZ2 TRP 99 -10.633 -6.552 -16.328 783 HZ3 TRP 99 HZ3 TRP 99 -13.031 -9.984 -15.483 784 HH2 TRP 99 HH2 TRP 99 -11.183 -8.474 -14.886 785 H ILE 100 HN ILE 100 -16.555 -8.987 -22.383 786 HA ILE 100 HA ILE 100 -18.751 -10.245 -21.132 787 HB ILE 100 HB ILE 100 -18.196 -9.618 -24.037 788 1HG1 ILE 100 HG12 ILE 100 -20.036 -8.258 -22.058 789 2HG1 ILE 100 HG11 ILE 100 -18.395 -7.725 -22.381 790 1HG2 ILE 100 HG21 ILE 100 -20.575 -10.874 -22.738 791 2HG2 ILE 100 HG23 ILE 100 -20.821 -9.765 -24.085 792 3HG2 ILE 100 HG22 ILE 100 -19.842 -11.217 -24.305 793 1HD1 ILE 100 HD11 ILE 100 -20.292 -8.071 -24.675 794 2HD1 ILE 100 HD13 ILE 100 -20.416 -6.634 -23.656 795 3HD1 ILE 100 HD12 ILE 100 -18.913 -6.984 -24.517 796 H GLN 101 HN GLN 101 -16.328 -11.489 -23.406 797 HA GLN 101 HA GLN 101 -17.502 -14.067 -23.771 798 1HB GLN 101 HB2 GLN 101 -14.711 -12.988 -24.181 799 2HB GLN 101 HB1 GLN 101 -15.115 -14.675 -24.487 800 1HG GLN 101 HG2 GLN 101 -16.725 -12.455 -25.735 801 2HG GLN 101 HG1 GLN 101 -15.213 -12.992 -26.463 802 1HE2 GLN 101 HE22 GLN 101 -17.346 -15.195 -28.232 803 2HE2 GLN 101 HE21 GLN 101 -16.465 -13.699 -28.288 804 H ALA 102 HN ALA 102 -15.036 -12.798 -21.548 805 HA ALA 102 HA ALA 102 -14.408 -15.254 -20.258 806 1HB ALA 102 HB2 ALA 102 -12.961 -13.265 -20.128 807 2HB ALA 102 HB1 ALA 102 -14.201 -12.420 -19.198 808 3HB ALA 102 HB3 ALA 102 -13.403 -13.840 -18.520 809 H ILE 103 HN ILE 103 -16.819 -12.741 -19.638 810 HA ILE 103 HA ILE 103 -17.767 -13.762 -17.142 811 HB ILE 103 HB ILE 103 -18.881 -11.859 -19.195 812 1HG1 ILE 103 HG12 ILE 103 -18.222 -11.198 -16.353 813 2HG1 ILE 103 HG11 ILE 103 -16.903 -11.424 -17.493 814 1HG2 ILE 103 HG21 ILE 103 -20.181 -12.798 -16.642 815 2HG2 ILE 103 HG23 ILE 103 -20.561 -11.251 -17.396 816 3HG2 ILE 103 HG22 ILE 103 -20.868 -12.750 -18.268 817 1HD1 ILE 103 HD13 ILE 103 -18.562 -9.763 -18.906 818 2HD1 ILE 103 HD12 ILE 103 -18.825 -9.210 -17.255 819 3HD1 ILE 103 HD11 ILE 103 -17.195 -9.229 -17.928 820 H SER 104 HN SER 104 -18.631 -14.364 -20.510 821 HA SER 104 HA SER 104 -21.014 -15.877 -19.983 822 1HB SER 104 HB2 SER 104 -19.221 -15.934 -22.429 823 2HB SER 104 HB1 SER 104 -20.876 -16.535 -22.331 824 HG SER 104 HG SER 104 -20.017 -13.823 -22.037 825 H SER 105 HN SER 105 -17.610 -16.674 -20.482 826 HA SER 105 HA SER 105 -17.945 -19.532 -20.401 827 1HB SER 105 HB2 SER 105 -15.395 -17.975 -19.915 828 2HB SER 105 HB1 SER 105 -15.564 -19.627 -20.508 829 HG SER 105 HG SER 105 -16.083 -17.193 -21.859 830 H ALA 106 HN ALA 106 -16.820 -17.063 -18.108 831 HA ALA 106 HA ALA 106 -16.678 -16.977 -15.842 832 1HB ALA 106 HB2 ALA 106 -19.057 -17.944 -16.147 833 2HB ALA 106 HB1 ALA 106 -18.341 -19.471 -15.624 834 3HB ALA 106 HB3 ALA 106 -18.297 -18.064 -14.561 No H/Q in entry = 834 Start of MODEL 38 1 1H MET 1 HT1 MET 1 -7.048 -13.546 -14.967 2 2H MET 1 HT3 MET 1 -8.195 -14.801 -15.096 3 3H MET 1 HT2 MET 1 -7.153 -14.453 -16.407 4 HA MET 1 HA MET 1 -8.276 -12.598 -17.022 5 1HB MET 1 HB2 MET 1 -10.130 -14.664 -15.934 6 2HB MET 1 HB1 MET 1 -10.836 -13.118 -16.394 7 1HG MET 1 HG2 MET 1 -10.907 -13.899 -18.485 8 2HG MET 1 HG1 MET 1 -9.166 -13.698 -18.522 9 1HE MET 1 HE1 MET 1 -12.154 -15.879 -18.406 10 2HE MET 1 HE3 MET 1 -11.408 -16.218 -19.978 11 3HE MET 1 HE2 MET 1 -11.546 -17.492 -18.767 12 H GLU 2 HN GLU 2 -7.364 -10.981 -15.720 13 HA GLU 2 HA GLU 2 -9.214 -9.839 -13.716 14 1HB GLU 2 HB2 GLU 2 -6.277 -9.521 -13.244 15 2HB GLU 2 HB1 GLU 2 -7.606 -9.505 -12.096 16 1HG GLU 2 HG2 GLU 2 -6.694 -11.517 -11.524 17 2HG GLU 2 HG1 GLU 2 -7.759 -12.080 -12.806 18 H GLY 3 HN GLY 3 -8.996 -7.518 -13.510 19 1HA GLY 3 HA2 GLY 3 -7.216 -5.855 -14.808 20 2HA GLY 3 HA1 GLY 3 -8.472 -6.204 -15.998 21 H PHE 4 HN PHE 4 -8.094 -3.650 -15.238 22 HA PHE 4 HA PHE 4 -9.921 -2.876 -13.106 23 1HB PHE 4 HB2 PHE 4 -8.161 -1.420 -15.040 24 2HB PHE 4 HB1 PHE 4 -9.446 -0.543 -14.229 25 HD1 PHE 4 HD1 PHE 4 -9.526 -0.630 -11.661 26 HD2 PHE 4 HD2 PHE 4 -6.126 -1.792 -13.971 27 HE1 PHE 4 HE1 PHE 4 -8.092 -0.379 -9.681 28 HE2 PHE 4 HE2 PHE 4 -4.696 -1.540 -11.988 29 HZ PHE 4 HZ PHE 4 -5.720 -0.757 -9.819 30 H LEU 5 HN LEU 5 -11.882 -1.907 -13.363 31 HA LEU 5 HA LEU 5 -13.092 -1.520 -15.999 32 1HB LEU 5 HB2 LEU 5 -13.697 -3.815 -14.215 33 2HB LEU 5 HB1 LEU 5 -15.102 -2.937 -14.793 34 HG LEU 5 HG LEU 5 -12.949 -4.136 -16.521 35 1HD1 LEU 5 HD11 LEU 5 -15.697 -5.062 -15.767 36 2HD1 LEU 5 HD13 LEU 5 -14.926 -5.596 -17.257 37 3HD1 LEU 5 HD12 LEU 5 -14.175 -5.943 -15.700 38 1HD2 LEU 5 HD22 LEU 5 -15.247 -2.352 -17.120 39 2HD2 LEU 5 HD21 LEU 5 -13.672 -2.488 -17.913 40 3HD2 LEU 5 HD23 LEU 5 -14.932 -3.674 -18.242 41 H ASN 6 HN ASN 6 -14.901 -0.147 -15.891 42 HA ASN 6 HA ASN 6 -15.208 1.328 -13.363 43 1HB ASN 6 HB2 ASN 6 -16.507 1.906 -16.014 44 2HB ASN 6 HB1 ASN 6 -16.478 2.945 -14.621 45 1HD2 ASN 6 HD22 ASN 6 -13.110 2.616 -16.929 46 2HD2 ASN 6 HD21 ASN 6 -14.357 1.422 -17.014 47 H ARG 7 HN ARG 7 -16.691 0.620 -11.975 48 HA ARG 7 HA ARG 7 -18.973 -0.964 -13.012 49 1HB ARG 7 HB2 ARG 7 -17.334 -2.037 -11.434 50 2HB ARG 7 HB1 ARG 7 -17.848 -0.891 -10.205 51 1HG ARG 7 HG2 ARG 7 -20.234 -1.986 -11.180 52 2HG ARG 7 HG1 ARG 7 -19.118 -3.345 -11.105 53 1HD ARG 7 HD2 ARG 7 -18.543 -2.471 -8.736 54 2HD ARG 7 HD1 ARG 7 -20.036 -1.540 -8.877 55 HE ARG 7 HE ARG 7 -20.811 -4.077 -9.522 56 1HH1 ARG 7 HH11 ARG 7 -18.657 -5.247 -7.865 57 2HH1 ARG 7 HH12 ARG 7 -19.338 -5.286 -6.264 58 1HH2 ARG 7 HH21 ARG 7 -21.898 -3.013 -7.008 59 2HH2 ARG 7 HH22 ARG 7 -21.213 -4.038 -5.780 60 H LYS 8 HN LYS 8 -20.875 -0.037 -12.986 61 HA LYS 8 HA LYS 8 -21.498 2.123 -11.048 62 1HB LYS 8 HB2 LYS 8 -21.341 2.708 -13.551 63 2HB LYS 8 HB1 LYS 8 -22.808 1.764 -13.740 64 1HG LYS 8 HG2 LYS 8 -23.523 3.365 -11.660 65 2HG LYS 8 HG1 LYS 8 -22.412 4.429 -12.513 66 1HD LYS 8 HD2 LYS 8 -24.014 4.914 -14.000 67 2HD LYS 8 HD1 LYS 8 -24.093 3.224 -14.469 68 1HE LYS 8 HE2 LYS 8 -25.874 2.763 -13.011 69 2HE LYS 8 HE1 LYS 8 -25.537 4.170 -12.009 70 1HZ LYS 8 HZ2 LYS 8 -26.109 5.070 -14.591 71 2HZ LYS 8 HZ1 LYS 8 -27.324 3.960 -14.138 72 3HZ LYS 8 HZ3 LYS 8 -26.998 5.315 -13.158 73 H HIS 9 HN HIS 9 -23.142 1.662 -9.691 74 HA HIS 9 HA HIS 9 -24.611 -0.841 -10.005 75 1HB HIS 9 HB2 HIS 9 -24.900 1.216 -7.799 76 2HB HIS 9 HB1 HIS 9 -25.468 -0.441 -7.784 77 HD1 HIS 9 HD1 HIS 9 -24.163 -0.967 -5.649 78 HD2 HIS 9 HD2 HIS 9 -21.752 0.256 -8.776 79 HE1 HIS 9 HE1 HIS 9 -21.823 -1.416 -4.880 80 H GLU 10 HN GLU 10 -26.240 -0.775 -11.401 81 HA GLU 10 HA GLU 10 -27.905 1.615 -11.680 82 1HB GLU 10 HB2 GLU 10 -27.070 0.128 -13.630 83 2HB GLU 10 HB1 GLU 10 -28.310 -1.011 -13.116 84 1HG GLU 10 HG2 GLU 10 -29.262 0.326 -14.862 85 2HG GLU 10 HG1 GLU 10 -29.998 0.853 -13.350 86 H TRP 11 HN TRP 11 -27.943 -1.527 -10.205 87 HA TRP 11 HA TRP 11 -30.251 -0.955 -8.622 88 1HB TRP 11 HB2 TRP 11 -31.335 -1.520 -10.814 89 2HB TRP 11 HB1 TRP 11 -30.576 -3.096 -10.729 90 HD1 TRP 11 HD1 TRP 11 -33.049 -1.013 -8.546 91 HE1 TRP 11 HE1 TRP 11 -34.734 -2.658 -7.542 92 HE3 TRP 11 HE3 TRP 11 -31.144 -5.418 -10.334 93 HZ2 TRP 11 HZ2 TRP 11 -35.204 -5.433 -7.490 94 HZ3 TRP 11 HZ3 TRP 11 -32.265 -7.531 -9.773 95 HH2 TRP 11 HH2 TRP 11 -34.276 -7.541 -8.361 96 H GLU 12 HN GLU 12 -30.234 -2.240 -6.846 97 HA GLU 12 HA GLU 12 -29.297 -4.877 -6.616 98 1HB GLU 12 HB2 GLU 12 -27.177 -4.393 -5.278 99 2HB GLU 12 HB1 GLU 12 -27.058 -4.220 -7.020 100 1HG GLU 12 HG2 GLU 12 -26.261 -2.150 -6.719 101 2HG GLU 12 HG1 GLU 12 -27.819 -1.669 -6.059 102 H ALA 13 HN ALA 13 -29.696 -1.754 -5.115 103 HA ALA 13 HA ALA 13 -30.148 -2.830 -2.450 104 1HB ALA 13 HB3 ALA 13 -30.312 -0.042 -3.619 105 2HB ALA 13 HB2 ALA 13 -30.686 -0.408 -1.932 106 3HB ALA 13 HB1 ALA 13 -29.064 -0.699 -2.560 107 H HIS 14 HN HIS 14 -32.209 -1.801 -1.330 108 HA HIS 14 HA HIS 14 -34.525 -2.933 -2.677 109 1HB HIS 14 HB2 HIS 14 -34.269 -1.516 -0.009 110 2HB HIS 14 HB1 HIS 14 -35.714 -2.337 -0.584 111 HD1 HIS 14 HD1 HIS 14 -34.566 -4.966 -1.589 112 HD2 HIS 14 HD2 HIS 14 -33.336 -3.195 1.952 113 HE1 HIS 14 HE1 HIS 14 -33.614 -6.835 -0.218 114 H ASN 15 HN ASN 15 -33.775 -1.058 -4.320 115 HA ASN 15 HA ASN 15 -35.940 0.861 -4.358 116 1HB ASN 15 HB2 ASN 15 -34.060 1.941 -2.966 117 2HB ASN 15 HB1 ASN 15 -33.106 1.945 -4.446 118 1HD2 ASN 15 HD22 ASN 15 -34.520 5.254 -4.512 119 2HD2 ASN 15 HD21 ASN 15 -33.206 4.328 -3.846 120 H LYS 16 HN LYS 16 -35.955 1.982 -6.504 121 HA LYS 16 HA LYS 16 -35.403 0.182 -8.636 122 1HB LYS 16 HB2 LYS 16 -36.201 3.095 -8.662 123 2HB LYS 16 HB1 LYS 16 -36.143 2.072 -10.090 124 1HG LYS 16 HG2 LYS 16 -37.652 0.756 -8.014 125 2HG LYS 16 HG1 LYS 16 -38.274 2.380 -8.263 126 1HD LYS 16 HD2 LYS 16 -37.786 1.150 -10.826 127 2HD LYS 16 HD1 LYS 16 -38.752 0.067 -9.835 128 1HE LYS 16 HE2 LYS 16 -39.384 2.961 -10.452 129 2HE LYS 16 HE1 LYS 16 -40.180 1.552 -11.142 130 1HZ LYS 16 HZ3 LYS 16 -40.624 0.984 -8.655 131 2HZ LYS 16 HZ2 LYS 16 -40.380 2.659 -8.426 132 3HZ LYS 16 HZ1 LYS 16 -41.612 2.103 -9.469 133 H LYS 17 HN LYS 17 -33.318 2.385 -7.094 134 HA LYS 17 HA LYS 17 -31.245 1.904 -9.063 135 1HB LYS 17 HB2 LYS 17 -32.625 4.514 -8.870 136 2HB LYS 17 HB1 LYS 17 -30.873 4.625 -8.762 137 1HG LYS 17 HG2 LYS 17 -30.953 3.044 -10.874 138 2HG LYS 17 HG1 LYS 17 -32.577 3.705 -11.045 139 1HD LYS 17 HD2 LYS 17 -31.210 5.989 -10.606 140 2HD LYS 17 HD1 LYS 17 -29.937 5.032 -11.353 141 1HE LYS 17 HE2 LYS 17 -32.679 5.339 -12.583 142 2HE LYS 17 HE1 LYS 17 -31.367 6.461 -12.916 143 1HZ LYS 17 HZ1 LYS 17 -30.308 3.946 -13.280 144 2HZ LYS 17 HZ3 LYS 17 -31.843 3.899 -14.011 145 3HZ LYS 17 HZ2 LYS 17 -30.703 5.074 -14.490 146 H ALA 18 HN ALA 18 -29.146 2.454 -8.292 147 HA ALA 18 HA ALA 18 -28.894 2.292 -5.382 148 1HB ALA 18 HB1 ALA 18 -27.561 0.861 -7.031 149 2HB ALA 18 HB3 ALA 18 -26.657 2.328 -7.416 150 3HB ALA 18 HB2 ALA 18 -26.625 1.676 -5.776 151 H SER 19 HN SER 19 -27.935 3.823 -4.106 152 HA SER 19 HA SER 19 -27.192 6.431 -5.330 153 1HB SER 19 HB2 SER 19 -28.577 6.094 -2.655 154 2HB SER 19 HB1 SER 19 -28.280 7.591 -3.540 155 HG SER 19 HG SER 19 -29.677 6.738 -5.214 156 H SER 20 HN SER 20 -25.212 4.752 -5.082 157 HA SER 20 HA SER 20 -23.485 5.903 -3.113 158 1HB SER 20 HB2 SER 20 -24.363 3.061 -2.786 159 2HB SER 20 HB1 SER 20 -22.872 3.666 -2.090 160 HG SER 20 HG SER 20 -25.114 5.207 -1.571 161 H ARG 21 HN ARG 21 -21.330 5.547 -3.588 162 HA ARG 21 HA ARG 21 -19.468 5.009 -4.756 163 1HB ARG 21 HB2 ARG 21 -21.007 2.718 -5.996 164 2HB ARG 21 HB1 ARG 21 -19.260 2.913 -5.912 165 1HG ARG 21 HG2 ARG 21 -20.106 3.130 -3.256 166 2HG ARG 21 HG1 ARG 21 -21.091 1.835 -3.928 167 1HD ARG 21 HD2 ARG 21 -19.178 0.711 -3.157 168 2HD ARG 21 HD1 ARG 21 -18.853 0.917 -4.877 169 HE ARG 21 HE ARG 21 -17.706 3.141 -3.844 170 1HH1 ARG 21 HH11 ARG 21 -17.748 0.740 -1.534 171 2HH1 ARG 21 HH12 ARG 21 -16.026 0.435 -1.534 172 1HH2 ARG 21 HH21 ARG 21 -15.394 2.245 -4.459 173 2HH2 ARG 21 HH22 ARG 21 -14.707 1.262 -3.206 174 H SER 22 HN SER 22 -22.122 4.294 -7.051 175 HA SER 22 HA SER 22 -22.639 5.190 -9.110 176 1HB SER 22 HB2 SER 22 -22.048 7.399 -7.830 177 2HB SER 22 HB1 SER 22 -20.580 7.352 -8.797 178 HG SER 22 HG SER 22 -22.871 8.323 -9.545 179 H TRP 23 HN TRP 23 -20.656 6.546 -10.787 180 HA TRP 23 HA TRP 23 -19.482 4.246 -12.028 181 1HB TRP 23 HB2 TRP 23 -19.467 7.197 -12.541 182 2HB TRP 23 HB1 TRP 23 -18.188 6.241 -13.279 183 HD1 TRP 23 HD1 TRP 23 -21.569 7.437 -14.057 184 HE1 TRP 23 HE1 TRP 23 -22.602 6.050 -15.939 185 HE3 TRP 23 HE3 TRP 23 -18.325 3.469 -14.136 186 HZ2 TRP 23 HZ2 TRP 23 -22.147 3.615 -17.290 187 HZ3 TRP 23 HZ3 TRP 23 -18.672 1.659 -15.743 188 HH2 TRP 23 HH2 TRP 23 -20.568 1.721 -17.315 189 H HIS 24 HN HIS 24 -18.197 3.294 -10.409 190 HA HIS 24 HA HIS 24 -15.800 4.786 -9.525 191 1HB HIS 24 HB2 HIS 24 -17.432 3.826 -7.833 192 2HB HIS 24 HB1 HIS 24 -16.950 2.225 -8.386 193 HD1 HIS 24 HD1 HIS 24 -15.768 5.122 -6.381 194 HD2 HIS 24 HD2 HIS 24 -14.368 1.421 -7.581 195 HE1 HIS 24 HE1 HIS 24 -13.730 4.721 -4.982 196 H ASN 25 HN ASN 25 -13.777 4.028 -9.980 197 HA ASN 25 HA ASN 25 -13.507 1.902 -11.973 198 1HB ASN 25 HB2 ASN 25 -12.251 4.140 -12.040 199 2HB ASN 25 HB1 ASN 25 -11.282 3.524 -10.703 200 1HD2 ASN 25 HD22 ASN 25 -9.092 2.247 -13.140 201 2HD2 ASN 25 HD21 ASN 25 -9.351 3.364 -11.830 202 H VAL 26 HN VAL 26 -13.524 -0.109 -11.192 203 HA VAL 26 HA VAL 26 -12.040 -0.719 -8.697 204 HB VAL 26 HB VAL 26 -14.608 -0.784 -8.660 205 1HG1 VAL 26 HG13 VAL 26 -14.690 -2.037 -10.898 206 2HG1 VAL 26 HG12 VAL 26 -14.295 -3.472 -9.955 207 3HG1 VAL 26 HG11 VAL 26 -15.774 -2.570 -9.614 208 1HG2 VAL 26 HG22 VAL 26 -13.019 -1.857 -7.009 209 2HG2 VAL 26 HG21 VAL 26 -14.644 -2.533 -7.094 210 3HG2 VAL 26 HG23 VAL 26 -13.301 -3.373 -7.873 211 H TYR 27 HN TYR 27 -11.250 -2.933 -8.554 212 HA TYR 27 HA TYR 27 -10.276 -3.932 -11.160 213 1HB TYR 27 HB2 TYR 27 -8.704 -3.229 -9.283 214 2HB TYR 27 HB1 TYR 27 -9.257 -4.643 -8.406 215 HD1 TYR 27 HD2 TYR 27 -8.671 -6.887 -9.157 216 HD2 TYR 27 HD1 TYR 27 -7.274 -3.426 -11.223 217 HE1 TYR 27 HE2 TYR 27 -7.022 -8.267 -10.347 218 HE2 TYR 27 HE1 TYR 27 -5.623 -4.811 -12.413 219 HH TYR 27 HH TYR 27 -5.045 -6.944 -12.949 220 H CYS 28 HN CYS 28 -11.453 -5.555 -11.954 221 HA CYS 28 HA CYS 28 -12.884 -7.389 -10.139 222 1HB CYS 28 HB2 CYS 28 -13.171 -7.023 -13.127 223 2HB CYS 28 HB1 CYS 28 -14.202 -7.997 -12.086 224 HG CYS 28 HG CYS 28 -14.095 -4.975 -11.461 225 H VAL 29 HN VAL 29 -12.485 -9.537 -10.085 226 HA VAL 29 HA VAL 29 -10.458 -10.706 -11.906 227 HB VAL 29 HB VAL 29 -10.598 -11.071 -8.900 228 1HG1 VAL 29 HG12 VAL 29 -9.138 -12.522 -11.047 229 2HG1 VAL 29 HG11 VAL 29 -8.266 -12.198 -9.551 230 3HG1 VAL 29 HG13 VAL 29 -9.775 -13.109 -9.511 231 1HG2 VAL 29 HG22 VAL 29 -9.116 -9.211 -10.575 232 2HG2 VAL 29 HG21 VAL 29 -9.353 -9.220 -8.829 233 3HG2 VAL 29 HG23 VAL 29 -8.062 -10.180 -9.550 234 H ILE 30 HN ILE 30 -11.253 -12.462 -12.874 235 HA ILE 30 HA ILE 30 -13.686 -13.743 -11.842 236 HB ILE 30 HB ILE 30 -12.192 -14.349 -14.402 237 1HG1 ILE 30 HG12 ILE 30 -14.204 -12.211 -13.748 238 2HG1 ILE 30 HG11 ILE 30 -12.721 -12.093 -14.688 239 1HG2 ILE 30 HG23 ILE 30 -15.044 -14.883 -13.532 240 2HG2 ILE 30 HG22 ILE 30 -14.389 -15.228 -15.134 241 3HG2 ILE 30 HG21 ILE 30 -13.768 -16.086 -13.725 242 1HD1 ILE 30 HD12 ILE 30 -14.001 -13.778 -16.283 243 2HD1 ILE 30 HD11 ILE 30 -15.418 -13.062 -15.511 244 3HD1 ILE 30 HD13 ILE 30 -14.275 -12.040 -16.383 245 H ASN 31 HN ASN 31 -13.787 -15.806 -11.095 246 HA ASN 31 HA ASN 31 -11.402 -17.527 -11.159 247 1HB ASN 31 HB2 ASN 31 -11.363 -16.108 -9.047 248 2HB ASN 31 HB1 ASN 31 -12.848 -16.919 -8.561 249 1HD2 ASN 31 HD22 ASN 31 -10.980 -19.444 -7.045 250 2HD2 ASN 31 HD21 ASN 31 -12.295 -18.314 -6.989 251 H ASN 32 HN ASN 32 -12.680 -18.725 -12.624 252 HA ASN 32 HA ASN 32 -14.011 -20.465 -13.240 253 1HB ASN 32 HB2 ASN 32 -13.090 -21.372 -10.995 254 2HB ASN 32 HB1 ASN 32 -14.685 -21.014 -10.339 255 1HD2 ASN 32 HD22 ASN 32 -14.183 -24.046 -13.065 256 2HD2 ASN 32 HD21 ASN 32 -12.974 -22.807 -12.860 257 H GLN 33 HN GLN 33 -16.300 -20.717 -10.816 258 HA GLN 33 HA GLN 33 -18.264 -19.213 -12.407 259 1HB GLN 33 HB2 GLN 33 -18.449 -21.710 -11.496 260 2HB GLN 33 HB1 GLN 33 -19.045 -20.892 -10.058 261 1HG GLN 33 HG2 GLN 33 -20.975 -21.382 -11.344 262 2HG GLN 33 HG1 GLN 33 -20.674 -19.665 -11.603 263 1HE2 GLN 33 HE22 GLN 33 -20.676 -20.124 -15.055 264 2HE2 GLN 33 HE21 GLN 33 -21.128 -19.178 -13.672 265 H GLU 34 HN GLU 34 -16.236 -18.056 -10.437 266 HA GLU 34 HA GLU 34 -18.124 -16.327 -8.995 267 1HB GLU 34 HB2 GLU 34 -15.988 -18.040 -7.791 268 2HB GLU 34 HB1 GLU 34 -16.208 -16.422 -7.131 269 1HG GLU 34 HG2 GLU 34 -18.592 -16.908 -6.731 270 2HG GLU 34 HG1 GLU 34 -18.364 -18.536 -7.370 271 H MET 35 HN MET 35 -16.928 -14.398 -8.117 272 HA MET 35 HA MET 35 -14.441 -13.647 -9.360 273 1HB MET 35 HB2 MET 35 -15.386 -11.642 -10.508 274 2HB MET 35 HB1 MET 35 -15.867 -13.162 -11.246 275 1HG MET 35 HG2 MET 35 -18.024 -13.045 -10.066 276 2HG MET 35 HG1 MET 35 -17.556 -11.498 -9.379 277 1HE MET 35 HE3 MET 35 -16.510 -9.608 -11.102 278 2HE MET 35 HE2 MET 35 -17.689 -9.032 -12.283 279 3HE MET 35 HE1 MET 35 -18.155 -9.205 -10.595 280 H GLY 36 HN GLY 36 -13.686 -11.564 -8.546 281 1HA GLY 36 HA2 GLY 36 -15.076 -10.686 -6.076 282 2HA GLY 36 HA1 GLY 36 -13.352 -11.028 -6.095 283 H PHE 37 HN PHE 37 -14.913 -8.563 -5.544 284 HA PHE 37 HA PHE 37 -13.863 -6.703 -7.597 285 1HB PHE 37 HB2 PHE 37 -15.949 -6.377 -5.428 286 2HB PHE 37 HB1 PHE 37 -15.327 -5.038 -6.384 287 HD1 PHE 37 HD1 PHE 37 -15.795 -4.897 -8.796 288 HD2 PHE 37 HD2 PHE 37 -17.509 -7.955 -6.353 289 HE1 PHE 37 HE1 PHE 37 -17.471 -5.354 -10.541 290 HE2 PHE 37 HE2 PHE 37 -19.179 -8.415 -8.106 291 HZ PHE 37 HZ PHE 37 -19.163 -7.112 -10.196 292 H TYR 38 HN TYR 38 -11.822 -6.130 -7.092 293 HA TYR 38 HA TYR 38 -11.152 -5.477 -4.271 294 1HB TYR 38 HB2 TYR 38 -9.299 -6.434 -6.461 295 2HB TYR 38 HB1 TYR 38 -8.866 -6.114 -4.788 296 HD1 TYR 38 HD1 TYR 38 -9.631 -7.599 -2.984 297 HD2 TYR 38 HD2 TYR 38 -10.432 -8.453 -7.082 298 HE1 TYR 38 HE1 TYR 38 -10.191 -9.919 -2.389 299 HE2 TYR 38 HE2 TYR 38 -10.987 -10.781 -6.496 300 HH TYR 38 HH TYR 38 -11.742 -12.061 -4.535 301 H LYS 39 HN LYS 39 -9.046 -4.066 -4.279 302 HA LYS 39 HA LYS 39 -9.751 -1.517 -5.416 303 1HB LYS 39 HB2 LYS 39 -8.669 -1.931 -3.164 304 2HB LYS 39 HB1 LYS 39 -7.175 -2.271 -4.027 305 1HG LYS 39 HG2 LYS 39 -7.239 -0.006 -5.011 306 2HG LYS 39 HG1 LYS 39 -8.723 0.326 -4.120 307 1HD LYS 39 HD2 LYS 39 -7.500 -0.090 -1.994 308 2HD LYS 39 HD1 LYS 39 -6.017 -0.321 -2.916 309 1HE LYS 39 HE2 LYS 39 -7.661 2.220 -2.806 310 2HE LYS 39 HE1 LYS 39 -6.129 1.939 -1.986 311 1HZ LYS 39 HZ1 LYS 39 -5.464 1.360 -4.506 312 2HZ LYS 39 HZ3 LYS 39 -6.654 2.544 -4.774 313 3HZ LYS 39 HZ2 LYS 39 -5.296 2.907 -3.808 314 H ASP 40 HN ASP 40 -6.939 -3.665 -5.804 315 HA ASP 40 HA ASP 40 -6.672 -2.981 -8.614 316 1HB ASP 40 HB2 ASP 40 -4.457 -2.128 -8.514 317 2HB ASP 40 HB1 ASP 40 -5.373 -1.221 -7.319 318 H ALA 41 HN ALA 41 -4.145 -4.045 -9.031 319 HA ALA 41 HA ALA 41 -4.654 -6.828 -9.128 320 1HB ALA 41 HB3 ALA 41 -3.059 -5.315 -10.554 321 2HB ALA 41 HB2 ALA 41 -1.868 -5.728 -9.319 322 3HB ALA 41 HB1 ALA 41 -2.638 -7.003 -10.266 323 H LYS 42 HN LYS 42 -2.660 -4.890 -6.915 324 HA LYS 42 HA LYS 42 -1.541 -7.096 -5.474 325 1HB LYS 42 HB2 LYS 42 -1.799 -4.144 -4.953 326 2HB LYS 42 HB1 LYS 42 -1.205 -5.224 -3.692 327 1HG LYS 42 HG2 LYS 42 0.685 -5.854 -4.957 328 2HG LYS 42 HG1 LYS 42 -0.015 -5.266 -6.459 329 1HD LYS 42 HD2 LYS 42 1.871 -3.877 -5.334 330 2HD LYS 42 HD1 LYS 42 0.463 -3.036 -5.969 331 1HE LYS 42 HE2 LYS 42 1.094 -2.187 -3.753 332 2HE LYS 42 HE1 LYS 42 -0.507 -2.911 -3.730 333 1HZ LYS 42 HZ3 LYS 42 1.050 -5.001 -3.077 334 2HZ LYS 42 HZ2 LYS 42 1.902 -3.708 -2.358 335 3HZ LYS 42 HZ1 LYS 42 0.269 -3.988 -1.958 336 H SER 43 HN SER 43 -4.399 -5.064 -5.017 337 HA SER 43 HA SER 43 -5.227 -6.078 -2.498 338 1HB SER 43 HB2 SER 43 -6.064 -4.004 -3.666 339 2HB SER 43 HB1 SER 43 -6.999 -5.056 -4.724 340 HG SER 43 HG SER 43 -7.445 -4.324 -2.091 341 H ALA 44 HN ALA 44 -5.824 -7.116 -5.820 342 HA ALA 44 HA ALA 44 -7.661 -9.210 -5.211 343 1HB ALA 44 HB2 ALA 44 -7.610 -8.123 -7.413 344 2HB ALA 44 HB1 ALA 44 -5.980 -8.749 -7.686 345 3HB ALA 44 HB3 ALA 44 -7.345 -9.861 -7.551 346 H ALA 45 HN ALA 45 -4.186 -9.099 -5.967 347 HA ALA 45 HA ALA 45 -3.719 -11.902 -5.849 348 1HB ALA 45 HB2 ALA 45 -1.892 -9.511 -5.609 349 2HB ALA 45 HB1 ALA 45 -1.298 -11.173 -5.571 350 3HB ALA 45 HB3 ALA 45 -2.127 -10.565 -7.004 351 H SER 46 HN SER 46 -2.990 -9.322 -3.488 352 HA SER 46 HA SER 46 -2.155 -11.054 -1.390 353 1HB SER 46 HB2 SER 46 -1.810 -8.488 -1.689 354 2HB SER 46 HB1 SER 46 -3.370 -8.345 -0.883 355 HG SER 46 HG SER 46 -2.530 -9.232 0.949 356 H GLY 47 HN GLY 47 -5.301 -9.765 -2.312 357 1HA GLY 47 HA2 GLY 47 -7.399 -10.664 -1.860 358 2HA GLY 47 HA1 GLY 47 -6.670 -11.749 -0.680 359 H ILE 48 HN ILE 48 -7.260 -8.278 -1.205 360 HA ILE 48 HA ILE 48 -7.760 -7.919 1.695 361 HB ILE 48 HB ILE 48 -6.937 -5.927 -0.432 362 1HG1 ILE 48 HG12 ILE 48 -5.411 -6.681 2.051 363 2HG1 ILE 48 HG11 ILE 48 -5.208 -7.561 0.542 364 1HG2 ILE 48 HG22 ILE 48 -7.670 -5.533 2.464 365 2HG2 ILE 48 HG21 ILE 48 -6.695 -4.376 1.568 366 3HG2 ILE 48 HG23 ILE 48 -8.342 -4.721 1.046 367 1HD1 ILE 48 HD12 ILE 48 -5.052 -4.694 0.118 368 2HD1 ILE 48 HD11 ILE 48 -3.865 -5.246 1.302 369 3HD1 ILE 48 HD13 ILE 48 -3.899 -5.958 -0.311 370 HA PRO 49 HA PRO 49 -12.015 -7.446 0.345 371 1HB PRO 49 HB2 PRO 49 -13.097 -6.746 2.748 372 2HB PRO 49 HB1 PRO 49 -12.671 -8.404 2.304 373 1HG PRO 49 HG2 PRO 49 -11.193 -6.457 4.011 374 2HG PRO 49 HG1 PRO 49 -11.392 -8.206 4.211 375 1HD PRO 49 HD2 PRO 49 -9.127 -7.033 3.209 376 2HD PRO 49 HD1 PRO 49 -9.638 -8.686 2.818 377 H TYR 50 HN TYR 50 -11.550 -5.630 -0.983 378 HA TYR 50 HA TYR 50 -11.311 -2.953 -0.004 379 1HB TYR 50 HB2 TYR 50 -10.398 -3.679 -2.177 380 2HB TYR 50 HB1 TYR 50 -12.029 -3.968 -2.765 381 HD1 TYR 50 HD1 TYR 50 -10.292 -1.174 -0.973 382 HD2 TYR 50 HD2 TYR 50 -12.730 -2.372 -4.267 383 HE1 TYR 50 HE1 TYR 50 -10.421 1.164 -1.731 384 HE2 TYR 50 HE2 TYR 50 -12.854 -0.034 -5.022 385 HH TYR 50 HH TYR 50 -12.019 2.563 -3.096 386 H HIS 51 HN HIS 51 -13.924 -4.479 -1.905 387 HA HIS 51 HA HIS 51 -15.844 -2.419 -1.204 388 1HB HIS 51 HB2 HIS 51 -15.808 -4.869 -2.930 389 2HB HIS 51 HB1 HIS 51 -17.372 -4.303 -2.365 390 HD1 HIS 51 HD1 HIS 51 -17.893 -3.850 -4.882 391 HD2 HIS 51 HD2 HIS 51 -14.933 -1.445 -3.278 392 HE1 HIS 51 HE1 HIS 51 -17.654 -1.952 -6.501 393 H SER 52 HN SER 52 -18.109 -3.305 -0.479 394 HA SER 52 HA SER 52 -17.771 -4.538 2.121 395 1HB SER 52 HB2 SER 52 -20.394 -3.895 0.755 396 2HB SER 52 HB1 SER 52 -20.070 -4.028 2.481 397 HG SER 52 HG SER 52 -18.666 -2.159 2.228 398 H GLU 53 HN GLU 53 -19.409 -5.306 -0.920 399 HA GLU 53 HA GLU 53 -19.594 -8.170 -0.149 400 1HB GLU 53 HB2 GLU 53 -21.126 -6.654 -2.288 401 2HB GLU 53 HB1 GLU 53 -21.365 -8.335 -1.818 402 1HG GLU 53 HG2 GLU 53 -21.644 -7.099 0.593 403 2HG GLU 53 HG1 GLU 53 -22.258 -5.844 -0.485 404 H VAL 54 HN VAL 54 -17.281 -8.224 -0.673 405 HA VAL 54 HA VAL 54 -16.307 -7.665 -3.277 406 HB VAL 54 HB VAL 54 -15.168 -9.232 -0.975 407 1HG1 VAL 54 HG13 VAL 54 -14.026 -8.751 -3.704 408 2HG1 VAL 54 HG12 VAL 54 -12.970 -8.867 -2.300 409 3HG1 VAL 54 HG11 VAL 54 -14.003 -10.226 -2.734 410 1HG2 VAL 54 HG23 VAL 54 -15.525 -6.615 -1.105 411 2HG2 VAL 54 HG22 VAL 54 -14.087 -7.320 -0.371 412 3HG2 VAL 54 HG21 VAL 54 -14.020 -6.704 -2.023 413 HA PRO 55 HA PRO 55 -16.465 -12.361 -4.221 414 1HB PRO 55 HB2 PRO 55 -17.817 -14.056 -2.583 415 2HB PRO 55 HB1 PRO 55 -16.108 -13.654 -2.379 416 1HG PRO 55 HG2 PRO 55 -18.481 -12.668 -0.885 417 2HG PRO 55 HG1 PRO 55 -16.840 -13.002 -0.308 418 1HD PRO 55 HD2 PRO 55 -17.844 -10.489 -0.860 419 2HD PRO 55 HD1 PRO 55 -16.124 -10.912 -0.797 420 H VAL 56 HN VAL 56 -17.776 -12.526 -5.927 421 HA VAL 56 HA VAL 56 -20.714 -12.608 -5.566 422 HB VAL 56 HB VAL 56 -19.132 -11.005 -7.586 423 1HG1 VAL 56 HG11 VAL 56 -22.010 -11.886 -7.688 424 2HG1 VAL 56 HG13 VAL 56 -21.470 -10.399 -8.470 425 3HG1 VAL 56 HG12 VAL 56 -20.786 -11.947 -8.961 426 1HG2 VAL 56 HG21 VAL 56 -21.111 -10.330 -5.424 427 2HG2 VAL 56 HG23 VAL 56 -19.472 -9.716 -5.649 428 3HG2 VAL 56 HG22 VAL 56 -20.763 -9.210 -6.744 429 H SER 57 HN SER 57 -21.712 -14.215 -6.697 430 HA SER 57 HA SER 57 -20.043 -16.166 -8.053 431 1HB SER 57 HB2 SER 57 -22.965 -16.514 -7.820 432 2HB SER 57 HB1 SER 57 -21.668 -17.656 -7.548 433 HG SER 57 HG SER 57 -21.262 -16.078 -5.625 434 H LEU 58 HN LEU 58 -20.064 -16.610 -10.193 435 HA LEU 58 HA LEU 58 -21.520 -14.808 -11.994 436 1HB LEU 58 HB2 LEU 58 -19.047 -16.378 -12.126 437 2HB LEU 58 HB1 LEU 58 -20.036 -16.591 -13.564 438 HG LEU 58 HG LEU 58 -19.230 -13.921 -12.415 439 1HD1 LEU 58 HD22 LEU 58 -17.517 -15.625 -13.639 440 2HD1 LEU 58 HD21 LEU 58 -18.187 -14.789 -15.043 441 3HD1 LEU 58 HD23 LEU 58 -17.403 -13.869 -13.757 442 1HD2 LEU 58 HD12 LEU 58 -20.954 -14.773 -14.681 443 2HD2 LEU 58 HD11 LEU 58 -21.082 -13.367 -13.620 444 3HD2 LEU 58 HD13 LEU 58 -19.905 -13.374 -14.933 445 H LYS 59 HN LYS 59 -23.392 -16.047 -10.871 446 HA LYS 59 HA LYS 59 -24.151 -18.448 -12.424 447 1HB LYS 59 HB2 LYS 59 -24.034 -18.358 -9.786 448 2HB LYS 59 HB1 LYS 59 -25.597 -17.568 -9.942 449 1HG LYS 59 HG2 LYS 59 -25.232 -20.049 -11.530 450 2HG LYS 59 HG1 LYS 59 -25.265 -20.250 -9.781 451 1HD LYS 59 HD2 LYS 59 -27.363 -18.504 -10.934 452 2HD LYS 59 HD1 LYS 59 -27.490 -20.218 -11.315 453 1HE LYS 59 HE2 LYS 59 -27.288 -20.676 -8.828 454 2HE LYS 59 HE1 LYS 59 -27.447 -18.941 -8.575 455 1HZ LYS 59 HZ3 LYS 59 -29.545 -19.330 -10.110 456 2HZ LYS 59 HZ2 LYS 59 -29.444 -20.885 -9.412 457 3HZ LYS 59 HZ1 LYS 59 -29.603 -19.509 -8.411 458 H GLU 60 HN GLU 60 -25.351 -17.918 -14.118 459 HA GLU 60 HA GLU 60 -26.967 -17.024 -15.460 460 1HB GLU 60 HB2 GLU 60 -28.304 -16.233 -12.860 461 2HB GLU 60 HB1 GLU 60 -29.057 -16.230 -14.447 462 1HG GLU 60 HG2 GLU 60 -28.952 -18.603 -14.619 463 2HG GLU 60 HG1 GLU 60 -27.876 -18.727 -13.228 464 H ALA 61 HN ALA 61 -24.863 -15.550 -15.536 465 HA ALA 61 HA ALA 61 -25.435 -12.756 -14.830 466 1HB ALA 61 HB3 ALA 61 -23.173 -13.713 -14.405 467 2HB ALA 61 HB2 ALA 61 -22.972 -13.964 -16.142 468 3HB ALA 61 HB1 ALA 61 -23.129 -12.329 -15.497 469 H ILE 62 HN ILE 62 -27.195 -12.430 -16.345 470 HA ILE 62 HA ILE 62 -26.842 -12.817 -19.163 471 HB ILE 62 HB ILE 62 -28.742 -10.860 -17.857 472 1HG1 ILE 62 HG12 ILE 62 -29.109 -13.832 -18.338 473 2HG1 ILE 62 HG11 ILE 62 -29.062 -13.017 -16.780 474 1HG2 ILE 62 HG21 ILE 62 -28.181 -11.521 -20.547 475 2HG2 ILE 62 HG23 ILE 62 -29.740 -12.261 -20.168 476 3HG2 ILE 62 HG22 ILE 62 -29.507 -10.527 -19.930 477 1HD1 ILE 62 HD11 ILE 62 -31.154 -12.568 -18.918 478 2HD1 ILE 62 HD13 ILE 62 -31.371 -13.534 -17.460 479 3HD1 ILE 62 HD12 ILE 62 -31.111 -11.795 -17.334 480 H CYS 63 HN CYS 63 -25.710 -11.622 -20.526 481 HA CYS 63 HA CYS 63 -24.742 -8.971 -19.638 482 1HB CYS 63 HB2 CYS 63 -23.153 -11.029 -19.953 483 2HB CYS 63 HB1 CYS 63 -23.307 -10.644 -21.667 484 HG CYS 63 HG CYS 63 -22.532 -8.196 -20.066 485 H GLU 64 HN GLU 64 -24.789 -7.282 -20.992 486 HA GLU 64 HA GLU 64 -25.822 -7.576 -23.738 487 1HB GLU 64 HB2 GLU 64 -27.210 -6.335 -21.469 488 2HB GLU 64 HB1 GLU 64 -27.002 -5.220 -22.813 489 1HG GLU 64 HG2 GLU 64 -28.097 -8.009 -23.198 490 2HG GLU 64 HG1 GLU 64 -29.131 -6.642 -22.787 491 H VAL 65 HN VAL 65 -25.387 -5.641 -25.034 492 HA VAL 65 HA VAL 65 -22.899 -4.290 -24.149 493 HB VAL 65 HB VAL 65 -23.937 -4.476 -26.980 494 1HG1 VAL 65 HG13 VAL 65 -21.373 -3.662 -25.666 495 2HG1 VAL 65 HG12 VAL 65 -21.337 -4.339 -27.295 496 3HG1 VAL 65 HG11 VAL 65 -22.268 -2.877 -26.977 497 1HG2 VAL 65 HG22 VAL 65 -22.321 -6.471 -25.408 498 2HG2 VAL 65 HG21 VAL 65 -23.726 -6.750 -26.439 499 3HG2 VAL 65 HG23 VAL 65 -22.173 -6.347 -27.162 500 H ALA 66 HN ALA 66 -22.781 -2.110 -24.068 501 HA ALA 66 HA ALA 66 -25.125 -0.490 -24.885 502 1HB ALA 66 HB2 ALA 66 -23.495 -0.247 -22.334 503 2HB ALA 66 HB1 ALA 66 -24.692 0.927 -22.876 504 3HB ALA 66 HB3 ALA 66 -25.193 -0.711 -22.461 505 H LEU 67 HN LEU 67 -24.015 0.004 -26.832 506 HA LEU 67 HA LEU 67 -21.406 1.321 -26.713 507 1HB LEU 67 HB2 LEU 67 -22.446 -0.318 -28.538 508 2HB LEU 67 HB1 LEU 67 -23.029 1.195 -29.217 509 HG LEU 67 HG LEU 67 -20.581 1.998 -28.953 510 1HD1 LEU 67 HD12 LEU 67 -19.977 -0.050 -27.580 511 2HD1 LEU 67 HD11 LEU 67 -20.052 -0.969 -29.081 512 3HD1 LEU 67 HD13 LEU 67 -18.883 0.341 -28.901 513 1HD2 LEU 67 HD21 LEU 67 -21.415 -0.056 -31.009 514 2HD2 LEU 67 HD23 LEU 67 -21.568 1.697 -31.123 515 3HD2 LEU 67 HD22 LEU 67 -19.968 0.948 -31.143 516 H ASP 68 HN ASP 68 -24.402 2.373 -25.983 517 HA ASP 68 HA ASP 68 -23.759 5.146 -26.723 518 1HB ASP 68 HB2 ASP 68 -25.318 4.134 -28.457 519 2HB ASP 68 HB1 ASP 68 -26.531 4.009 -27.189 520 H TYR 69 HN TYR 69 -23.202 4.647 -24.339 521 HA TYR 69 HA TYR 69 -25.482 5.501 -22.662 522 1HB TYR 69 HB2 TYR 69 -24.768 3.032 -22.389 523 2HB TYR 69 HB1 TYR 69 -23.301 3.664 -21.659 524 HD1 TYR 69 HD1 TYR 69 -27.023 3.908 -21.388 525 HD2 TYR 69 HD2 TYR 69 -23.262 4.087 -19.369 526 HE1 TYR 69 HE1 TYR 69 -28.189 4.062 -19.222 527 HE2 TYR 69 HE2 TYR 69 -24.435 4.249 -17.209 528 HH TYR 69 HH TYR 69 -27.150 5.181 -16.633 529 H LYS 70 HN LYS 70 -24.241 6.015 -20.351 530 HA LYS 70 HA LYS 70 -22.716 8.396 -20.901 531 1HB LYS 70 HB2 LYS 70 -23.579 7.044 -18.340 532 2HB LYS 70 HB1 LYS 70 -22.646 8.537 -18.373 533 1HG LYS 70 HG2 LYS 70 -24.455 9.777 -18.862 534 2HG LYS 70 HG1 LYS 70 -24.965 8.674 -20.135 535 1HD LYS 70 HD2 LYS 70 -25.918 7.172 -18.403 536 2HD LYS 70 HD1 LYS 70 -25.501 8.360 -17.174 537 1HE LYS 70 HE2 LYS 70 -27.419 8.739 -19.491 538 2HE LYS 70 HE1 LYS 70 -27.850 8.583 -17.789 539 1HZ LYS 70 HZ2 LYS 70 -26.329 10.625 -17.502 540 2HZ LYS 70 HZ1 LYS 70 -26.567 10.837 -19.178 541 3HZ LYS 70 HZ3 LYS 70 -27.905 10.841 -18.117 542 H LYS 71 HN LYS 71 -20.593 8.820 -20.365 543 HA LYS 71 HA LYS 71 -18.369 8.492 -20.028 544 1HB LYS 71 HB2 LYS 71 -19.048 5.855 -18.712 545 2HB LYS 71 HB1 LYS 71 -17.583 6.807 -18.524 546 1HG LYS 71 HG2 LYS 71 -20.353 7.600 -17.629 547 2HG LYS 71 HG1 LYS 71 -19.023 7.111 -16.588 548 1HD LYS 71 HD2 LYS 71 -17.772 9.114 -17.754 549 2HD LYS 71 HD1 LYS 71 -19.408 9.659 -18.120 550 1HE LYS 71 HE2 LYS 71 -19.059 10.704 -16.095 551 2HE LYS 71 HE1 LYS 71 -19.827 9.213 -15.564 552 1HZ LYS 71 HZ3 LYS 71 -17.317 8.430 -15.516 553 2HZ LYS 71 HZ2 LYS 71 -17.056 10.104 -15.282 554 3HZ LYS 71 HZ1 LYS 71 -18.043 9.229 -14.198 555 H LYS 72 HN LYS 72 -17.899 8.374 -22.157 556 HA LYS 72 HA LYS 72 -17.002 7.510 -24.101 557 1HB LYS 72 HB2 LYS 72 -16.647 5.009 -22.435 558 2HB LYS 72 HB1 LYS 72 -15.920 5.298 -24.007 559 1HG LYS 72 HG2 LYS 72 -14.728 7.250 -23.099 560 2HG LYS 72 HG1 LYS 72 -15.443 6.954 -21.517 561 1HD LYS 72 HD2 LYS 72 -13.561 5.765 -21.115 562 2HD LYS 72 HD1 LYS 72 -14.356 4.508 -22.052 563 1HE LYS 72 HE2 LYS 72 -12.297 4.619 -23.096 564 2HE LYS 72 HE1 LYS 72 -13.249 5.709 -24.099 565 1HZ LYS 72 HZ1 LYS 72 -12.293 7.317 -22.130 566 2HZ LYS 72 HZ3 LYS 72 -10.993 6.257 -22.411 567 3HZ LYS 72 HZ2 LYS 72 -11.638 7.179 -23.697 568 H LYS 73 HN LYS 73 -17.197 5.111 -25.364 569 HA LYS 73 HA LYS 73 -20.091 4.546 -25.555 570 1HB LYS 73 HB2 LYS 73 -19.877 4.551 -28.023 571 2HB LYS 73 HB1 LYS 73 -19.602 6.132 -27.307 572 1HG LYS 73 HG2 LYS 73 -17.589 6.251 -28.275 573 2HG LYS 73 HG1 LYS 73 -17.085 4.771 -27.466 574 1HD LYS 73 HD2 LYS 73 -17.741 3.410 -29.260 575 2HD LYS 73 HD1 LYS 73 -18.788 4.654 -29.942 576 1HE LYS 73 HE2 LYS 73 -16.692 6.014 -30.389 577 2HE LYS 73 HE1 LYS 73 -15.767 4.579 -29.958 578 1HZ LYS 73 HZ1 LYS 73 -17.827 4.025 -31.872 579 2HZ LYS 73 HZ3 LYS 73 -16.717 5.195 -32.427 580 3HZ LYS 73 HZ2 LYS 73 -16.157 3.665 -31.923 581 H HIS 74 HN HIS 74 -18.171 2.972 -24.205 582 HA HIS 74 HA HIS 74 -18.464 0.458 -25.674 583 1HB HIS 74 HB2 HIS 74 -15.798 1.602 -24.840 584 2HB HIS 74 HB1 HIS 74 -16.040 -0.137 -24.951 585 HD1 HIS 74 HD1 HIS 74 -15.453 2.860 -27.013 586 HD2 HIS 74 HD2 HIS 74 -16.550 -1.084 -27.622 587 HE1 HIS 74 HE1 HIS 74 -15.139 2.467 -29.467 588 H VAL 75 HN VAL 75 -20.115 0.591 -23.945 589 HA VAL 75 HA VAL 75 -19.079 -0.355 -21.329 590 HB VAL 75 HB VAL 75 -21.654 1.140 -21.910 591 1HG1 VAL 75 HG11 VAL 75 -20.415 0.276 -19.302 592 2HG1 VAL 75 HG13 VAL 75 -21.806 1.347 -19.445 593 3HG1 VAL 75 HG12 VAL 75 -21.917 -0.324 -20.001 594 1HG2 VAL 75 HG23 VAL 75 -18.972 2.117 -21.439 595 2HG2 VAL 75 HG22 VAL 75 -20.434 3.008 -21.861 596 3HG2 VAL 75 HG21 VAL 75 -20.075 2.651 -20.172 597 H PHE 76 HN PHE 76 -20.256 -2.093 -20.361 598 HA PHE 76 HA PHE 76 -22.310 -3.384 -22.021 599 1HB PHE 76 HB2 PHE 76 -21.351 -5.562 -21.829 600 2HB PHE 76 HB1 PHE 76 -20.161 -4.493 -22.539 601 HD1 PHE 76 HD2 PHE 76 -21.040 -6.494 -19.597 602 HD2 PHE 76 HD1 PHE 76 -18.124 -3.919 -21.358 603 HE1 PHE 76 HE2 PHE 76 -19.408 -7.160 -17.870 604 HE2 PHE 76 HE1 PHE 76 -16.494 -4.577 -19.630 605 HZ PHE 76 HZ PHE 76 -17.115 -6.330 -17.953 606 H LYS 77 HN LYS 77 -23.888 -4.350 -20.914 607 HA LYS 77 HA LYS 77 -24.019 -3.742 -18.054 608 1HB LYS 77 HB2 LYS 77 -25.891 -3.029 -19.441 609 2HB LYS 77 HB1 LYS 77 -26.141 -4.685 -19.991 610 1HG LYS 77 HG2 LYS 77 -26.869 -5.402 -17.847 611 2HG LYS 77 HG1 LYS 77 -26.260 -3.943 -17.066 612 1HD LYS 77 HD2 LYS 77 -27.962 -2.608 -18.235 613 2HD LYS 77 HD1 LYS 77 -28.568 -4.066 -19.023 614 1HE LYS 77 HE2 LYS 77 -28.985 -5.019 -16.718 615 2HE LYS 77 HE1 LYS 77 -28.597 -3.432 -16.063 616 1HZ LYS 77 HZ2 LYS 77 -30.776 -3.992 -17.993 617 2HZ LYS 77 HZ1 LYS 77 -30.971 -3.774 -16.313 618 3HZ LYS 77 HZ3 LYS 77 -30.418 -2.479 -17.273 619 H LEU 78 HN LEU 78 -24.387 -5.199 -16.489 620 HA LEU 78 HA LEU 78 -24.335 -8.074 -17.164 621 1HB LEU 78 HB2 LEU 78 -22.379 -6.545 -15.642 622 2HB LEU 78 HB1 LEU 78 -23.091 -7.808 -14.655 623 HG LEU 78 HG LEU 78 -21.696 -8.132 -17.305 624 1HD1 LEU 78 HD21 LEU 78 -20.957 -8.521 -14.472 625 2HD1 LEU 78 HD23 LEU 78 -20.501 -9.839 -15.553 626 3HD1 LEU 78 HD22 LEU 78 -19.936 -8.197 -15.875 627 1HD2 LEU 78 HD12 LEU 78 -23.530 -9.956 -15.840 628 2HD2 LEU 78 HD11 LEU 78 -23.193 -9.831 -17.570 629 3HD2 LEU 78 HD13 LEU 78 -22.061 -10.667 -16.510 630 H ARG 79 HN ARG 79 -26.160 -8.955 -16.457 631 HA ARG 79 HA ARG 79 -27.474 -7.833 -14.045 632 1HB ARG 79 HB2 ARG 79 -28.730 -7.465 -16.146 633 2HB ARG 79 HB1 ARG 79 -28.775 -9.203 -16.406 634 1HG ARG 79 HG2 ARG 79 -29.728 -8.804 -13.778 635 2HG ARG 79 HG1 ARG 79 -30.477 -7.551 -14.752 636 1HD ARG 79 HD2 ARG 79 -30.460 -10.395 -15.718 637 2HD ARG 79 HD1 ARG 79 -31.660 -9.866 -14.537 638 HE ARG 79 HE ARG 79 -31.518 -9.074 -17.355 639 1HH1 ARG 79 HH21 ARG 79 -31.890 -6.456 -16.076 640 2HH1 ARG 79 HH22 ARG 79 -33.605 -6.342 -15.796 641 1HH2 ARG 79 HH11 ARG 79 -34.135 -9.821 -16.129 642 2HH2 ARG 79 HH12 ARG 79 -34.894 -8.277 -15.814 643 H LEU 80 HN LEU 80 -26.943 -9.131 -12.430 644 HA LEU 80 HA LEU 80 -26.696 -12.023 -12.751 645 1HB LEU 80 HB2 LEU 80 -26.572 -10.407 -10.194 646 2HB LEU 80 HB1 LEU 80 -25.977 -12.040 -10.460 647 HG LEU 80 HG LEU 80 -24.888 -9.596 -11.865 648 1HD1 LEU 80 HD12 LEU 80 -23.825 -11.023 -9.423 649 2HD1 LEU 80 HD11 LEU 80 -22.976 -9.761 -10.321 650 3HD1 LEU 80 HD13 LEU 80 -24.477 -9.387 -9.480 651 1HD2 LEU 80 HD22 LEU 80 -23.991 -12.470 -11.708 652 2HD2 LEU 80 HD21 LEU 80 -24.389 -11.522 -13.145 653 3HD2 LEU 80 HD23 LEU 80 -22.930 -11.157 -12.229 654 H SER 81 HN SER 81 -28.361 -13.376 -12.408 655 HA SER 81 HA SER 81 -30.989 -12.394 -11.756 656 1HB SER 81 HB2 SER 81 -30.131 -15.283 -11.974 657 2HB SER 81 HB1 SER 81 -31.749 -14.617 -12.185 658 HG SER 81 HG SER 81 -29.498 -14.019 -13.843 659 H ASP 82 HN ASP 82 -29.090 -11.998 -9.670 660 HA ASP 82 HA ASP 82 -30.304 -13.534 -7.446 661 1HB ASP 82 HB2 ASP 82 -27.746 -13.867 -8.047 662 2HB ASP 82 HB1 ASP 82 -27.558 -12.320 -7.226 663 H GLY 83 HN GLY 83 -30.853 -10.907 -8.894 664 1HA GLY 83 HA2 GLY 83 -31.886 -8.955 -8.231 665 2HA GLY 83 HA1 GLY 83 -31.487 -9.330 -6.561 666 H ASN 84 HN ASN 84 -29.294 -8.971 -9.397 667 HA ASN 84 HA ASN 84 -28.220 -6.464 -8.278 668 1HB ASN 84 HB2 ASN 84 -26.619 -9.014 -8.592 669 2HB ASN 84 HB1 ASN 84 -25.860 -7.427 -8.530 670 1HD2 ASN 84 HD22 ASN 84 -26.325 -6.998 -5.068 671 2HD2 ASN 84 HD21 ASN 84 -25.911 -6.260 -6.575 672 H GLU 85 HN GLU 85 -27.765 -5.061 -9.851 673 HA GLU 85 HA GLU 85 -27.107 -6.019 -12.578 674 1HB GLU 85 HB2 GLU 85 -29.191 -4.018 -11.750 675 2HB GLU 85 HB1 GLU 85 -28.440 -3.931 -13.337 676 1HG GLU 85 HG2 GLU 85 -29.153 -6.262 -13.768 677 2HG GLU 85 HG1 GLU 85 -29.977 -6.279 -12.210 678 H TYR 86 HN TYR 86 -25.386 -4.993 -13.467 679 HA TYR 86 HA TYR 86 -24.518 -2.368 -12.400 680 1HB TYR 86 HB2 TYR 86 -22.577 -4.645 -12.850 681 2HB TYR 86 HB1 TYR 86 -22.249 -3.076 -12.127 682 HD1 TYR 86 HD1 TYR 86 -23.576 -2.530 -9.934 683 HD2 TYR 86 HD2 TYR 86 -22.959 -6.462 -11.473 684 HE1 TYR 86 HE1 TYR 86 -23.999 -3.472 -7.698 685 HE2 TYR 86 HE2 TYR 86 -23.372 -7.407 -9.246 686 HH TYR 86 HH TYR 86 -24.077 -6.989 -7.177 687 H LEU 87 HN LEU 87 -23.116 -1.223 -13.802 688 HA LEU 87 HA LEU 87 -23.132 -2.083 -16.646 689 1HB LEU 87 HB2 LEU 87 -22.977 0.731 -15.522 690 2HB LEU 87 HB1 LEU 87 -22.961 0.303 -17.225 691 HG LEU 87 HG LEU 87 -25.235 -0.028 -15.268 692 1HD1 LEU 87 HD11 LEU 87 -24.777 1.675 -17.707 693 2HD1 LEU 87 HD13 LEU 87 -26.386 1.383 -17.041 694 3HD1 LEU 87 HD12 LEU 87 -25.160 2.190 -16.060 695 1HD2 LEU 87 HD21 LEU 87 -24.912 -1.097 -18.072 696 2HD2 LEU 87 HD23 LEU 87 -25.341 -1.981 -16.605 697 3HD2 LEU 87 HD22 LEU 87 -26.490 -0.853 -17.319 698 H PHE 88 HN PHE 88 -21.171 -2.511 -17.478 699 HA PHE 88 HA PHE 88 -18.785 -1.676 -15.952 700 1HB PHE 88 HB2 PHE 88 -19.376 -4.109 -17.606 701 2HB PHE 88 HB1 PHE 88 -17.724 -3.639 -17.215 702 HD1 PHE 88 HD1 PHE 88 -17.050 -3.433 -14.816 703 HD2 PHE 88 HD2 PHE 88 -20.730 -5.217 -16.013 704 HE1 PHE 88 HE1 PHE 88 -17.228 -4.506 -12.622 705 HE2 PHE 88 HE2 PHE 88 -20.916 -6.300 -13.807 706 HZ PHE 88 HZ PHE 88 -19.170 -5.945 -12.113 707 H GLN 89 HN GLN 89 -17.652 -0.093 -16.850 708 HA GLN 89 HA GLN 89 -17.792 0.375 -19.759 709 1HB GLN 89 HB2 GLN 89 -18.035 2.223 -17.915 710 2HB GLN 89 HB1 GLN 89 -16.286 2.117 -17.849 711 1HG GLN 89 HG2 GLN 89 -16.912 2.250 -20.589 712 2HG GLN 89 HG1 GLN 89 -17.929 3.452 -19.794 713 1HE2 GLN 89 HE22 GLN 89 -15.296 5.707 -19.580 714 2HE2 GLN 89 HE21 GLN 89 -16.984 5.371 -19.817 715 H ALA 90 HN ALA 90 -16.209 -0.199 -21.059 716 HA ALA 90 HA ALA 90 -13.584 -1.059 -19.979 717 1HB ALA 90 HB2 ALA 90 -15.233 -1.880 -22.361 718 2HB ALA 90 HB1 ALA 90 -13.485 -2.091 -22.392 719 3HB ALA 90 HB3 ALA 90 -14.443 -2.889 -21.148 720 H LYS 91 HN LYS 91 -11.700 -0.534 -21.421 721 HA LYS 91 HA LYS 91 -11.830 2.268 -22.182 722 1HB LYS 91 HB2 LYS 91 -9.460 2.184 -22.397 723 2HB LYS 91 HB1 LYS 91 -9.900 1.286 -20.950 724 1HG LYS 91 HG2 LYS 91 -9.824 -0.800 -22.530 725 2HG LYS 91 HG1 LYS 91 -8.868 0.248 -23.571 726 1HD LYS 91 HD2 LYS 91 -7.428 0.717 -21.510 727 2HD LYS 91 HD1 LYS 91 -8.274 -0.631 -20.754 728 1HE LYS 91 HE2 LYS 91 -6.187 -1.435 -21.686 729 2HE LYS 91 HE1 LYS 91 -7.525 -2.100 -22.620 730 1HZ LYS 91 HZ1 LYS 91 -6.858 0.281 -23.849 731 2HZ LYS 91 HZ3 LYS 91 -5.375 -0.460 -23.482 732 3HZ LYS 91 HZ2 LYS 91 -6.539 -1.298 -24.409 733 H ASP 92 HN ASP 92 -11.515 -0.819 -23.870 734 HA ASP 92 HA ASP 92 -12.104 0.548 -26.416 735 1HB ASP 92 HB2 ASP 92 -9.609 -0.944 -25.758 736 2HB ASP 92 HB1 ASP 92 -10.329 -1.293 -27.325 737 H ASP 93 HN ASP 93 -12.641 -1.070 -28.172 738 HA ASP 93 HA ASP 93 -14.759 -2.762 -27.348 739 1HB ASP 93 HB2 ASP 93 -14.449 -1.731 -29.640 740 2HB ASP 93 HB1 ASP 93 -13.254 -2.984 -29.968 741 H GLU 94 HN GLU 94 -11.387 -3.453 -28.135 742 HA GLU 94 HA GLU 94 -11.416 -6.255 -28.167 743 1HB GLU 94 HB2 GLU 94 -9.499 -4.834 -28.830 744 2HB GLU 94 HB1 GLU 94 -9.234 -4.417 -27.143 745 1HG GLU 94 HG2 GLU 94 -9.349 -7.324 -27.780 746 2HG GLU 94 HG1 GLU 94 -7.964 -6.452 -28.427 747 H GLU 95 HN GLU 95 -10.951 -4.018 -25.447 748 HA GLU 95 HA GLU 95 -10.673 -5.984 -23.407 749 1HB GLU 95 HB2 GLU 95 -10.284 -3.312 -23.488 750 2HB GLU 95 HB1 GLU 95 -11.864 -3.361 -22.712 751 1HG GLU 95 HG2 GLU 95 -10.927 -4.979 -21.048 752 2HG GLU 95 HG1 GLU 95 -9.337 -4.709 -21.763 753 H MET 96 HN MET 96 -13.432 -4.048 -24.542 754 HA MET 96 HA MET 96 -15.409 -4.954 -22.783 755 1HB MET 96 HB2 MET 96 -15.711 -3.051 -24.305 756 2HB MET 96 HB1 MET 96 -15.692 -4.141 -25.688 757 1HG MET 96 HG2 MET 96 -17.776 -5.060 -25.150 758 2HG MET 96 HG1 MET 96 -17.680 -4.541 -23.473 759 1HE MET 96 HE2 MET 96 -19.094 -4.013 -26.824 760 2HE MET 96 HE1 MET 96 -19.433 -2.292 -26.996 761 3HE MET 96 HE3 MET 96 -17.784 -2.896 -27.194 762 H ASN 97 HN ASN 97 -14.335 -6.298 -25.888 763 HA ASN 97 HA ASN 97 -16.204 -8.444 -26.014 764 1HB ASN 97 HB2 ASN 97 -14.937 -7.588 -27.974 765 2HB ASN 97 HB1 ASN 97 -13.454 -8.239 -27.282 766 1HD2 ASN 97 HD22 ASN 97 -14.058 -11.533 -28.303 767 2HD2 ASN 97 HD21 ASN 97 -13.038 -10.417 -27.448 768 H THR 98 HN THR 98 -12.787 -8.306 -24.948 769 HA THR 98 HA THR 98 -12.432 -10.979 -24.227 770 HB THR 98 HB THR 98 -11.225 -8.638 -22.742 771 HG1 THR 98 HG1 THR 98 -10.796 -8.177 -24.841 772 1HG2 THR 98 HG21 THR 98 -10.269 -11.455 -23.304 773 2HG2 THR 98 HG23 THR 98 -9.261 -10.183 -22.603 774 3HG2 THR 98 HG22 THR 98 -10.681 -10.762 -21.732 775 H TRP 99 HN TRP 99 -13.934 -8.361 -22.368 776 HA TRP 99 HA TRP 99 -14.137 -9.848 -19.926 777 1HB TRP 99 HB2 TRP 99 -15.194 -7.236 -20.930 778 2HB TRP 99 HB1 TRP 99 -15.929 -7.944 -19.494 779 HD1 TRP 99 HD1 TRP 99 -13.104 -5.717 -20.431 780 HE1 TRP 99 HE1 TRP 99 -11.447 -5.531 -18.486 781 HE3 TRP 99 HE3 TRP 99 -14.742 -9.583 -17.457 782 HZ2 TRP 99 HZ2 TRP 99 -10.878 -6.794 -16.065 783 HZ3 TRP 99 HZ3 TRP 99 -13.574 -10.025 -15.334 784 HH2 TRP 99 HH2 TRP 99 -11.660 -8.645 -14.646 785 H ILE 100 HN ILE 100 -16.557 -9.059 -22.468 786 HA ILE 100 HA ILE 100 -18.735 -10.424 -21.271 787 HB ILE 100 HB ILE 100 -18.138 -9.800 -24.173 788 1HG1 ILE 100 HG12 ILE 100 -20.043 -8.450 -22.256 789 2HG1 ILE 100 HG11 ILE 100 -18.406 -7.887 -22.557 790 1HG2 ILE 100 HG21 ILE 100 -20.626 -10.915 -22.890 791 2HG2 ILE 100 HG23 ILE 100 -20.655 -10.061 -24.434 792 3HG2 ILE 100 HG22 ILE 100 -19.726 -11.553 -24.270 793 1HD1 ILE 100 HD13 ILE 100 -20.333 -8.290 -24.831 794 2HD1 ILE 100 HD12 ILE 100 -20.345 -6.800 -23.885 795 3HD1 ILE 100 HD11 ILE 100 -18.891 -7.275 -24.767 796 H GLN 101 HN GLN 101 -16.182 -11.495 -23.464 797 HA GLN 101 HA GLN 101 -17.206 -14.178 -23.782 798 1HB GLN 101 HB2 GLN 101 -14.495 -13.010 -24.472 799 2HB GLN 101 HB1 GLN 101 -15.063 -14.609 -24.940 800 1HG GLN 101 HG2 GLN 101 -16.267 -11.961 -25.789 801 2HG GLN 101 HG1 GLN 101 -15.340 -13.062 -26.798 802 1HE2 GLN 101 HE22 GLN 101 -19.240 -13.472 -26.765 803 2HE2 GLN 101 HE21 GLN 101 -18.330 -12.031 -26.432 804 H ALA 102 HN ALA 102 -14.964 -12.563 -21.590 805 HA ALA 102 HA ALA 102 -13.733 -14.912 -20.484 806 1HB ALA 102 HB2 ALA 102 -14.119 -12.111 -19.392 807 2HB ALA 102 HB1 ALA 102 -13.291 -13.381 -18.490 808 3HB ALA 102 HB3 ALA 102 -12.638 -12.831 -20.032 809 H ILE 103 HN ILE 103 -16.516 -12.918 -19.681 810 HA ILE 103 HA ILE 103 -17.525 -14.432 -17.447 811 HB ILE 103 HB ILE 103 -18.609 -12.380 -19.368 812 1HG1 ILE 103 HG12 ILE 103 -18.678 -12.084 -16.401 813 2HG1 ILE 103 HG11 ILE 103 -17.110 -12.001 -17.205 814 1HG2 ILE 103 HG23 ILE 103 -20.227 -13.957 -17.380 815 2HG2 ILE 103 HG22 ILE 103 -20.714 -12.351 -17.932 816 3HG2 ILE 103 HG21 ILE 103 -20.540 -13.673 -19.095 817 1HD1 ILE 103 HD12 ILE 103 -19.204 -10.402 -18.507 818 2HD1 ILE 103 HD11 ILE 103 -18.793 -9.877 -16.879 819 3HD1 ILE 103 HD13 ILE 103 -17.538 -9.985 -18.107 820 H SER 104 HN SER 104 -17.677 -14.557 -20.901 821 HA SER 104 HA SER 104 -18.539 -16.007 -22.442 822 1HB SER 104 HB2 SER 104 -18.752 -18.099 -20.282 823 2HB SER 104 HB1 SER 104 -18.361 -18.308 -21.986 824 HG SER 104 HG SER 104 -16.455 -16.807 -21.236 825 H SER 105 HN SER 105 -20.303 -14.301 -21.000 826 HA SER 105 HA SER 105 -22.543 -13.969 -20.479 827 1HB SER 105 HB2 SER 105 -23.110 -16.044 -22.599 828 2HB SER 105 HB1 SER 105 -24.035 -14.597 -22.201 829 HG SER 105 HG SER 105 -21.466 -14.732 -23.449 830 H ALA 106 HN ALA 106 -21.285 -15.880 -18.774 831 HA ALA 106 HA ALA 106 -22.785 -18.290 -18.502 832 1HB ALA 106 HB2 ALA 106 -21.058 -16.825 -16.494 833 2HB ALA 106 HB1 ALA 106 -21.653 -18.478 -16.311 834 3HB ALA 106 HB3 ALA 106 -20.530 -18.082 -17.614 No H/Q in entry = 834 Start of MODEL 39 1 1H MET 1 HT1 MET 1 -6.826 -13.289 -15.531 2 2H MET 1 HT3 MET 1 -7.090 -13.945 -17.080 3 3H MET 1 HT2 MET 1 -6.875 -12.264 -16.895 4 HA MET 1 HA MET 1 -9.159 -12.610 -17.211 5 1HB MET 1 HB2 MET 1 -8.684 -15.099 -16.037 6 2HB MET 1 HB1 MET 1 -9.714 -14.284 -14.870 7 1HG MET 1 HG2 MET 1 -11.341 -13.803 -16.646 8 2HG MET 1 HG1 MET 1 -10.303 -14.606 -17.818 9 1HE MET 1 HE1 MET 1 -12.201 -16.175 -18.638 10 2HE MET 1 HE3 MET 1 -10.651 -17.017 -18.499 11 3HE MET 1 HE2 MET 1 -12.141 -17.801 -17.969 12 H GLU 2 HN GLU 2 -7.400 -10.846 -15.808 13 HA GLU 2 HA GLU 2 -9.258 -9.732 -13.805 14 1HB GLU 2 HB2 GLU 2 -6.263 -9.715 -13.363 15 2HB GLU 2 HB1 GLU 2 -7.535 -9.290 -12.226 16 1HG GLU 2 HG2 GLU 2 -7.109 -11.371 -11.408 17 2HG GLU 2 HG1 GLU 2 -8.224 -11.857 -12.679 18 H GLY 3 HN GLY 3 -8.917 -7.413 -13.488 19 1HA GLY 3 HA2 GLY 3 -7.129 -5.739 -14.708 20 2HA GLY 3 HA1 GLY 3 -8.337 -6.041 -15.955 21 H PHE 4 HN PHE 4 -8.103 -3.512 -15.245 22 HA PHE 4 HA PHE 4 -9.940 -2.809 -13.085 23 1HB PHE 4 HB2 PHE 4 -8.161 -1.281 -14.940 24 2HB PHE 4 HB1 PHE 4 -9.480 -0.445 -14.143 25 HD1 PHE 4 HD1 PHE 4 -9.661 -0.652 -11.606 26 HD2 PHE 4 HD2 PHE 4 -6.121 -1.603 -13.799 27 HE1 PHE 4 HE1 PHE 4 -8.328 -0.402 -9.560 28 HE2 PHE 4 HE2 PHE 4 -4.783 -1.338 -11.746 29 HZ PHE 4 HZ PHE 4 -5.885 -0.736 -9.628 30 H LEU 5 HN LEU 5 -11.908 -1.885 -13.331 31 HA LEU 5 HA LEU 5 -13.097 -1.459 -15.980 32 1HB LEU 5 HB2 LEU 5 -13.714 -3.739 -14.192 33 2HB LEU 5 HB1 LEU 5 -15.123 -2.831 -14.717 34 HG LEU 5 HG LEU 5 -13.058 -4.050 -16.545 35 1HD1 LEU 5 HD11 LEU 5 -15.818 -4.927 -15.725 36 2HD1 LEU 5 HD13 LEU 5 -15.012 -5.534 -17.172 37 3HD1 LEU 5 HD12 LEU 5 -14.308 -5.825 -15.580 38 1HD2 LEU 5 HD21 LEU 5 -15.467 -2.343 -17.008 39 2HD2 LEU 5 HD23 LEU 5 -13.889 -2.308 -17.802 40 3HD2 LEU 5 HD22 LEU 5 -15.041 -3.584 -18.191 41 H ASN 6 HN ASN 6 -14.825 0.024 -15.889 42 HA ASN 6 HA ASN 6 -15.151 1.454 -13.349 43 1HB ASN 6 HB2 ASN 6 -15.400 2.133 -16.169 44 2HB ASN 6 HB1 ASN 6 -16.836 2.595 -15.271 45 1HD2 ASN 6 HD22 ASN 6 -15.289 5.488 -14.124 46 2HD2 ASN 6 HD21 ASN 6 -16.689 4.695 -14.762 47 H ARG 7 HN ARG 7 -16.715 0.892 -12.008 48 HA ARG 7 HA ARG 7 -18.913 -0.816 -13.002 49 1HB ARG 7 HB2 ARG 7 -17.333 -1.756 -11.327 50 2HB ARG 7 HB1 ARG 7 -17.836 -0.512 -10.196 51 1HG ARG 7 HG2 ARG 7 -20.136 -1.368 -10.249 52 2HG ARG 7 HG1 ARG 7 -19.647 -2.608 -11.408 53 1HD ARG 7 HD2 ARG 7 -18.191 -3.642 -9.784 54 2HD ARG 7 HD1 ARG 7 -18.426 -2.311 -8.653 55 HE ARG 7 HE ARG 7 -20.757 -3.933 -9.473 56 1HH1 ARG 7 HH21 ARG 7 -20.888 -1.931 -7.183 57 2HH1 ARG 7 HH22 ARG 7 -20.772 -2.970 -5.789 58 1HH2 ARG 7 HH11 ARG 7 -19.451 -5.674 -7.578 59 2HH2 ARG 7 HH12 ARG 7 -19.963 -5.094 -6.027 60 H LYS 8 HN LYS 8 -20.960 -0.290 -12.738 61 HA LYS 8 HA LYS 8 -21.772 1.934 -10.982 62 1HB LYS 8 HB2 LYS 8 -21.520 2.811 -13.294 63 2HB LYS 8 HB1 LYS 8 -22.683 1.622 -13.852 64 1HG LYS 8 HG2 LYS 8 -23.958 2.876 -11.706 65 2HG LYS 8 HG1 LYS 8 -23.118 4.179 -12.514 66 1HD LYS 8 HD2 LYS 8 -24.337 3.948 -14.467 67 2HD LYS 8 HD1 LYS 8 -24.711 2.255 -14.154 68 1HE LYS 8 HE2 LYS 8 -26.434 2.764 -12.661 69 2HE LYS 8 HE1 LYS 8 -25.806 4.379 -12.332 70 1HZ LYS 8 HZ3 LYS 8 -26.403 4.325 -15.034 71 2HZ LYS 8 HZ2 LYS 8 -27.709 3.559 -14.259 72 3HZ LYS 8 HZ1 LYS 8 -27.250 5.134 -13.800 73 H HIS 9 HN HIS 9 -23.753 1.611 -10.071 74 HA HIS 9 HA HIS 9 -25.065 -0.984 -10.596 75 1HB HIS 9 HB2 HIS 9 -25.985 -0.711 -8.260 76 2HB HIS 9 HB1 HIS 9 -24.261 -0.995 -8.381 77 HD1 HIS 9 HD1 HIS 9 -24.938 0.079 -5.798 78 HD2 HIS 9 HD2 HIS 9 -24.425 2.652 -9.002 79 HE1 HIS 9 HE1 HIS 9 -24.381 2.299 -4.774 80 H GLU 10 HN GLU 10 -26.960 -0.948 -11.516 81 HA GLU 10 HA GLU 10 -28.507 1.537 -11.748 82 1HB GLU 10 HB2 GLU 10 -28.003 0.102 -13.758 83 2HB GLU 10 HB1 GLU 10 -29.000 -1.156 -13.043 84 1HG GLU 10 HG2 GLU 10 -30.602 -0.182 -14.344 85 2HG GLU 10 HG1 GLU 10 -30.774 0.852 -12.930 86 H TRP 11 HN TRP 11 -28.844 -1.821 -10.652 87 HA TRP 11 HA TRP 11 -30.923 -1.027 -8.741 88 1HB TRP 11 HB2 TRP 11 -32.260 -1.766 -10.598 89 2HB TRP 11 HB1 TRP 11 -31.231 -3.164 -10.868 90 HD1 TRP 11 HD1 TRP 11 -33.635 -1.863 -8.050 91 HE1 TRP 11 HE1 TRP 11 -34.732 -3.922 -6.987 92 HE3 TRP 11 HE3 TRP 11 -31.269 -5.585 -10.648 93 HZ2 TRP 11 HZ2 TRP 11 -34.646 -6.714 -7.203 94 HZ3 TRP 11 HZ3 TRP 11 -31.828 -7.933 -10.180 95 HH2 TRP 11 HH2 TRP 11 -33.503 -8.498 -8.468 96 H GLU 12 HN GLU 12 -30.727 -2.116 -6.835 97 HA GLU 12 HA GLU 12 -29.317 -4.637 -6.647 98 1HB GLU 12 HB2 GLU 12 -27.760 -3.586 -4.833 99 2HB GLU 12 HB1 GLU 12 -27.330 -3.431 -6.532 100 1HG GLU 12 HG2 GLU 12 -27.872 -1.164 -6.611 101 2HG GLU 12 HG1 GLU 12 -28.951 -1.268 -5.217 102 H ALA 13 HN ALA 13 -31.075 -5.523 -5.698 103 HA ALA 13 HA ALA 13 -32.343 -6.262 -3.949 104 1HB ALA 13 HB2 ALA 13 -30.306 -5.451 -2.555 105 2HB ALA 13 HB1 ALA 13 -31.340 -4.086 -2.133 106 3HB ALA 13 HB3 ALA 13 -31.844 -5.727 -1.740 107 H HIS 14 HN HIS 14 -34.366 -5.893 -3.114 108 HA HIS 14 HA HIS 14 -36.459 -4.977 -2.988 109 1HB HIS 14 HB2 HIS 14 -35.115 -2.268 -2.785 110 2HB HIS 14 HB1 HIS 14 -36.691 -2.739 -2.162 111 HD1 HIS 14 HD1 HIS 14 -36.410 -4.841 -0.283 112 HD2 HIS 14 HD2 HIS 14 -33.283 -2.177 -0.790 113 HE1 HIS 14 HE1 HIS 14 -35.018 -5.071 1.788 114 H ASN 15 HN ASN 15 -36.885 -2.101 -3.940 115 HA ASN 15 HA ASN 15 -36.707 -2.435 -6.864 116 1HB ASN 15 HB2 ASN 15 -38.971 -3.180 -6.253 117 2HB ASN 15 HB1 ASN 15 -39.230 -1.709 -5.325 118 1HD2 ASN 15 HD22 ASN 15 -38.936 -1.128 -9.387 119 2HD2 ASN 15 HD21 ASN 15 -37.782 -2.135 -8.572 120 H LYS 16 HN LYS 16 -34.875 -1.055 -5.858 121 HA LYS 16 HA LYS 16 -35.562 1.773 -6.256 122 1HB LYS 16 HB2 LYS 16 -33.911 0.753 -3.922 123 2HB LYS 16 HB1 LYS 16 -34.180 2.442 -4.339 124 1HG LYS 16 HG2 LYS 16 -36.580 2.185 -3.902 125 2HG LYS 16 HG1 LYS 16 -36.325 0.487 -3.505 126 1HD LYS 16 HD2 LYS 16 -36.197 1.277 -1.378 127 2HD LYS 16 HD1 LYS 16 -34.529 1.608 -1.827 128 1HE LYS 16 HE2 LYS 16 -36.803 3.594 -2.031 129 2HE LYS 16 HE1 LYS 16 -35.639 3.534 -0.714 130 1HZ LYS 16 HZ2 LYS 16 -33.949 3.703 -2.704 131 2HZ LYS 16 HZ1 LYS 16 -35.282 4.424 -3.482 132 3HZ LYS 16 HZ3 LYS 16 -34.680 5.092 -2.032 133 H LYS 17 HN LYS 17 -34.035 2.800 -7.422 134 HA LYS 17 HA LYS 17 -31.700 1.263 -8.301 135 1HB LYS 17 HB2 LYS 17 -31.501 3.078 -10.020 136 2HB LYS 17 HB1 LYS 17 -33.011 2.179 -10.084 137 1HG LYS 17 HG2 LYS 17 -34.256 3.967 -9.191 138 2HG LYS 17 HG1 LYS 17 -32.824 4.761 -8.543 139 1HD LYS 17 HD2 LYS 17 -33.761 5.888 -10.555 140 2HD LYS 17 HD1 LYS 17 -32.090 5.374 -10.762 141 1HE LYS 17 HE2 LYS 17 -32.803 3.419 -12.021 142 2HE LYS 17 HE1 LYS 17 -34.491 3.812 -11.723 143 1HZ LYS 17 HZ1 LYS 17 -33.706 6.068 -12.845 144 2HZ LYS 17 HZ3 LYS 17 -32.610 4.997 -13.593 145 3HZ LYS 17 HZ2 LYS 17 -34.285 4.735 -13.745 146 H ALA 18 HN ALA 18 -29.799 2.917 -8.859 147 HA ALA 18 HA ALA 18 -29.229 4.558 -6.463 148 1HB ALA 18 HB3 ALA 18 -27.460 2.521 -7.824 149 2HB ALA 18 HB2 ALA 18 -26.835 3.754 -6.731 150 3HB ALA 18 HB1 ALA 18 -27.979 2.553 -6.139 151 H SER 19 HN SER 19 -28.309 6.500 -6.856 152 HA SER 19 HA SER 19 -27.063 7.123 -9.422 153 1HB SER 19 HB2 SER 19 -29.541 8.605 -8.498 154 2HB SER 19 HB1 SER 19 -28.551 9.015 -9.899 155 HG SER 19 HG SER 19 -29.217 6.423 -10.050 156 H SER 20 HN SER 20 -25.855 6.956 -7.007 157 HA SER 20 HA SER 20 -24.911 9.686 -6.568 158 1HB SER 20 HB2 SER 20 -24.999 8.709 -3.966 159 2HB SER 20 HB1 SER 20 -26.025 9.968 -4.634 160 HG SER 20 HG SER 20 -26.705 7.229 -4.938 161 H ARG 21 HN ARG 21 -22.841 9.427 -7.039 162 HA ARG 21 HA ARG 21 -20.677 8.667 -7.045 163 1HB ARG 21 HB2 ARG 21 -21.433 6.805 -4.780 164 2HB ARG 21 HB1 ARG 21 -19.825 7.362 -5.222 165 1HG ARG 21 HG2 ARG 21 -20.467 9.673 -4.650 166 2HG ARG 21 HG1 ARG 21 -22.062 9.104 -4.160 167 1HD ARG 21 HD2 ARG 21 -19.408 8.372 -2.907 168 2HD ARG 21 HD1 ARG 21 -20.675 9.364 -2.191 169 HE ARG 21 HE ARG 21 -20.546 6.491 -2.182 170 1HH1 ARG 21 HH11 ARG 21 -22.233 8.947 -0.739 171 2HH1 ARG 21 HH12 ARG 21 -23.804 8.193 -0.774 172 1HH2 ARG 21 HH21 ARG 21 -22.850 5.617 -2.945 173 2HH2 ARG 21 HH22 ARG 21 -24.155 6.316 -2.019 174 H SER 22 HN SER 22 -23.009 7.360 -8.388 175 HA SER 22 HA SER 22 -22.316 4.576 -8.727 176 1HB SER 22 HB2 SER 22 -24.290 6.239 -10.308 177 2HB SER 22 HB1 SER 22 -24.229 4.484 -10.170 178 HG SER 22 HG SER 22 -24.663 4.757 -7.893 179 H TRP 23 HN TRP 23 -20.244 4.669 -9.518 180 HA TRP 23 HA TRP 23 -19.500 4.094 -11.934 181 1HB TRP 23 HB2 TRP 23 -20.044 7.045 -12.048 182 2HB TRP 23 HB1 TRP 23 -18.597 6.461 -12.851 183 HD1 TRP 23 HD1 TRP 23 -21.895 7.351 -13.828 184 HE1 TRP 23 HE1 TRP 23 -22.740 6.013 -15.827 185 HE3 TRP 23 HE3 TRP 23 -18.503 3.504 -13.813 186 HZ2 TRP 23 HZ2 TRP 23 -22.096 3.643 -17.227 187 HZ3 TRP 23 HZ3 TRP 23 -18.687 1.742 -15.510 188 HH2 TRP 23 HH2 TRP 23 -20.464 1.808 -17.210 189 H HIS 24 HN HIS 24 -17.987 3.162 -10.580 190 HA HIS 24 HA HIS 24 -15.710 4.894 -9.807 191 1HB HIS 24 HB2 HIS 24 -15.400 3.160 -7.880 192 2HB HIS 24 HB1 HIS 24 -16.576 4.453 -7.697 193 HD1 HIS 24 HD1 HIS 24 -18.973 3.802 -7.346 194 HD2 HIS 24 HD2 HIS 24 -16.600 0.550 -8.288 195 HE1 HIS 24 HE1 HIS 24 -20.449 1.814 -7.006 196 H ASN 25 HN ASN 25 -13.707 4.078 -10.174 197 HA ASN 25 HA ASN 25 -13.464 1.881 -12.061 198 1HB ASN 25 HB2 ASN 25 -12.186 4.087 -12.175 199 2HB ASN 25 HB1 ASN 25 -11.243 3.517 -10.803 200 1HD2 ASN 25 HD22 ASN 25 -9.078 2.455 -13.418 201 2HD2 ASN 25 HD21 ASN 25 -9.438 3.746 -12.307 202 H VAL 26 HN VAL 26 -13.607 -0.106 -11.189 203 HA VAL 26 HA VAL 26 -12.080 -0.704 -8.715 204 HB VAL 26 HB VAL 26 -14.646 -0.763 -8.686 205 1HG1 VAL 26 HG13 VAL 26 -14.717 -2.075 -10.896 206 2HG1 VAL 26 HG12 VAL 26 -14.322 -3.487 -9.915 207 3HG1 VAL 26 HG11 VAL 26 -15.803 -2.581 -9.601 208 1HG2 VAL 26 HG21 VAL 26 -13.117 -1.758 -6.978 209 2HG2 VAL 26 HG23 VAL 26 -14.695 -2.540 -7.109 210 3HG2 VAL 26 HG22 VAL 26 -13.271 -3.297 -7.829 211 H TYR 27 HN TYR 27 -11.260 -2.909 -8.553 212 HA TYR 27 HA TYR 27 -10.247 -3.898 -11.145 213 1HB TYR 27 HB2 TYR 27 -8.762 -3.282 -9.120 214 2HB TYR 27 HB1 TYR 27 -9.316 -4.793 -8.422 215 HD1 TYR 27 HD1 TYR 27 -7.489 -3.287 -11.243 216 HD2 TYR 27 HD2 TYR 27 -8.464 -6.890 -9.188 217 HE1 TYR 27 HE1 TYR 27 -5.749 -4.472 -12.510 218 HE2 TYR 27 HE2 TYR 27 -6.713 -8.082 -10.451 219 HH TYR 27 HH TYR 27 -4.965 -7.876 -11.859 220 H CYS 28 HN CYS 28 -11.419 -5.479 -12.013 221 HA CYS 28 HA CYS 28 -12.981 -7.302 -10.311 222 1HB CYS 28 HB2 CYS 28 -13.019 -6.915 -13.313 223 2HB CYS 28 HB1 CYS 28 -14.124 -7.925 -12.383 224 HG CYS 28 HG CYS 28 -14.082 -4.903 -11.722 225 H VAL 29 HN VAL 29 -12.511 -9.383 -10.078 226 HA VAL 29 HA VAL 29 -10.387 -10.633 -11.734 227 HB VAL 29 HB VAL 29 -10.876 -10.958 -8.757 228 1HG1 VAL 29 HG12 VAL 29 -9.101 -12.404 -10.688 229 2HG1 VAL 29 HG11 VAL 29 -8.589 -12.196 -9.013 230 3HG1 VAL 29 HG13 VAL 29 -10.090 -13.048 -9.374 231 1HG2 VAL 29 HG21 VAL 29 -8.577 -9.668 -10.233 232 2HG2 VAL 29 HG23 VAL 29 -9.784 -8.840 -9.243 233 3HG2 VAL 29 HG22 VAL 29 -8.648 -9.961 -8.497 234 H ILE 30 HN ILE 30 -11.158 -12.391 -12.777 235 HA ILE 30 HA ILE 30 -13.640 -13.677 -11.804 236 HB ILE 30 HB ILE 30 -12.318 -13.821 -14.523 237 1HG1 ILE 30 HG12 ILE 30 -14.775 -12.308 -13.600 238 2HG1 ILE 30 HG11 ILE 30 -13.232 -11.587 -14.040 239 1HG2 ILE 30 HG22 ILE 30 -14.894 -14.978 -13.451 240 2HG2 ILE 30 HG21 ILE 30 -14.577 -14.779 -15.176 241 3HG2 ILE 30 HG23 ILE 30 -13.544 -15.828 -14.206 242 1HD1 ILE 30 HD12 ILE 30 -13.481 -12.496 -16.327 243 2HD1 ILE 30 HD11 ILE 30 -15.071 -13.127 -15.884 244 3HD1 ILE 30 HD13 ILE 30 -14.782 -11.385 -15.897 245 H ASN 31 HN ASN 31 -13.597 -15.691 -11.042 246 HA ASN 31 HA ASN 31 -11.274 -17.442 -11.540 247 1HB ASN 31 HB2 ASN 31 -10.872 -16.352 -9.399 248 2HB ASN 31 HB1 ASN 31 -12.493 -16.759 -8.845 249 1HD2 ASN 31 HD22 ASN 31 -9.803 -19.850 -9.236 250 2HD2 ASN 31 HD21 ASN 31 -9.796 -18.548 -10.382 251 H ASN 32 HN ASN 32 -12.254 -18.962 -12.728 252 HA ASN 32 HA ASN 32 -13.534 -20.756 -13.299 253 1HB ASN 32 HB2 ASN 32 -13.009 -21.475 -10.952 254 2HB ASN 32 HB1 ASN 32 -14.532 -20.765 -10.434 255 1HD2 ASN 32 HD22 ASN 32 -16.395 -23.572 -11.333 256 2HD2 ASN 32 HD21 ASN 32 -16.235 -22.109 -10.404 257 H GLN 33 HN GLN 33 -16.047 -20.161 -11.015 258 HA GLN 33 HA GLN 33 -17.726 -18.880 -13.095 259 1HB GLN 33 HB2 GLN 33 -18.105 -21.398 -12.375 260 2HB GLN 33 HB1 GLN 33 -18.927 -20.652 -11.004 261 1HG GLN 33 HG2 GLN 33 -20.476 -19.524 -12.442 262 2HG GLN 33 HG1 GLN 33 -19.547 -19.951 -13.876 263 1HE2 GLN 33 HE22 GLN 33 -20.994 -23.115 -14.228 264 2HE2 GLN 33 HE21 GLN 33 -19.870 -21.926 -14.823 265 H GLU 34 HN GLU 34 -16.088 -17.838 -10.738 266 HA GLU 34 HA GLU 34 -18.215 -16.155 -9.588 267 1HB GLU 34 HB2 GLU 34 -16.026 -17.566 -8.047 268 2HB GLU 34 HB1 GLU 34 -16.978 -16.238 -7.393 269 1HG GLU 34 HG2 GLU 34 -18.970 -17.885 -8.251 270 2HG GLU 34 HG1 GLU 34 -17.732 -19.073 -7.855 271 H MET 35 HN MET 35 -17.288 -14.145 -8.641 272 HA MET 35 HA MET 35 -14.646 -13.406 -9.678 273 1HB MET 35 HB2 MET 35 -15.483 -11.353 -10.696 274 2HB MET 35 HB1 MET 35 -16.242 -12.755 -11.437 275 1HG MET 35 HG2 MET 35 -18.217 -12.403 -9.941 276 2HG MET 35 HG1 MET 35 -17.468 -10.924 -9.363 277 1HE MET 35 HE3 MET 35 -16.677 -9.142 -10.720 278 2HE MET 35 HE2 MET 35 -16.496 -9.357 -12.460 279 3HE MET 35 HE1 MET 35 -17.808 -8.362 -11.836 280 H GLY 36 HN GLY 36 -13.770 -11.517 -8.695 281 1HA GLY 36 HA2 GLY 36 -15.049 -10.725 -6.143 282 2HA GLY 36 HA1 GLY 36 -13.346 -11.155 -6.233 283 H PHE 37 HN PHE 37 -14.981 -8.610 -5.669 284 HA PHE 37 HA PHE 37 -13.811 -6.756 -7.641 285 1HB PHE 37 HB2 PHE 37 -15.850 -6.374 -5.444 286 2HB PHE 37 HB1 PHE 37 -15.233 -5.070 -6.453 287 HD1 PHE 37 HD1 PHE 37 -15.540 -5.262 -8.980 288 HD2 PHE 37 HD2 PHE 37 -17.666 -7.692 -6.178 289 HE1 PHE 37 HE1 PHE 37 -17.218 -5.778 -10.699 290 HE2 PHE 37 HE2 PHE 37 -19.347 -8.203 -7.906 291 HZ PHE 37 HZ PHE 37 -19.128 -7.247 -10.163 292 H TYR 38 HN TYR 38 -11.768 -6.265 -7.156 293 HA TYR 38 HA TYR 38 -11.029 -5.699 -4.335 294 1HB TYR 38 HB2 TYR 38 -9.331 -6.690 -6.638 295 2HB TYR 38 HB1 TYR 38 -8.712 -6.278 -5.041 296 HD1 TYR 38 HD1 TYR 38 -9.443 -7.605 -3.063 297 HD2 TYR 38 HD2 TYR 38 -10.375 -8.785 -7.049 298 HE1 TYR 38 HE1 TYR 38 -9.960 -9.868 -2.261 299 HE2 TYR 38 HE2 TYR 38 -10.888 -11.059 -6.250 300 HH TYR 38 HH TYR 38 -10.129 -12.504 -4.163 301 H LYS 39 HN LYS 39 -8.886 -4.274 -4.390 302 HA LYS 39 HA LYS 39 -9.696 -1.719 -5.506 303 1HB LYS 39 HB2 LYS 39 -8.637 -2.201 -3.195 304 2HB LYS 39 HB1 LYS 39 -7.127 -2.265 -4.064 305 1HG LYS 39 HG2 LYS 39 -7.041 -0.037 -4.408 306 2HG LYS 39 HG1 LYS 39 -8.774 0.093 -4.676 307 1HD LYS 39 HD2 LYS 39 -9.192 -0.009 -2.270 308 2HD LYS 39 HD1 LYS 39 -7.480 -0.278 -1.956 309 1HE LYS 39 HE2 LYS 39 -8.759 2.227 -3.094 310 2HE LYS 39 HE1 LYS 39 -8.029 2.041 -1.504 311 1HZ LYS 39 HZ2 LYS 39 -5.941 1.390 -2.885 312 2HZ LYS 39 HZ1 LYS 39 -6.737 2.259 -4.124 313 3HZ LYS 39 HZ3 LYS 39 -6.346 3.033 -2.663 314 H ASP 40 HN ASP 40 -6.939 -3.933 -5.914 315 HA ASP 40 HA ASP 40 -6.563 -3.135 -8.658 316 1HB ASP 40 HB2 ASP 40 -4.404 -2.163 -8.521 317 2HB ASP 40 HB1 ASP 40 -5.353 -1.339 -7.290 318 H ALA 41 HN ALA 41 -4.057 -4.111 -9.136 319 HA ALA 41 HA ALA 41 -4.422 -6.926 -9.139 320 1HB ALA 41 HB3 ALA 41 -1.942 -5.268 -9.662 321 2HB ALA 41 HB2 ALA 41 -2.106 -6.989 -10.025 322 3HB ALA 41 HB1 ALA 41 -3.120 -5.810 -10.860 323 H LYS 42 HN LYS 42 -2.492 -4.780 -7.053 324 HA LYS 42 HA LYS 42 -1.146 -6.883 -5.633 325 1HB LYS 42 HB2 LYS 42 -1.650 -3.985 -4.911 326 2HB LYS 42 HB1 LYS 42 -0.638 -5.078 -3.974 327 1HG LYS 42 HG2 LYS 42 0.790 -5.434 -5.966 328 2HG LYS 42 HG1 LYS 42 -0.197 -4.286 -6.860 329 1HD LYS 42 HD2 LYS 42 1.324 -3.627 -4.323 330 2HD LYS 42 HD1 LYS 42 1.923 -3.312 -5.948 331 1HE LYS 42 HE2 LYS 42 -0.498 -2.082 -4.614 332 2HE LYS 42 HE1 LYS 42 0.977 -1.264 -5.120 333 1HZ LYS 42 HZ2 LYS 42 0.179 -2.314 -7.428 334 2HZ LYS 42 HZ1 LYS 42 -1.333 -2.063 -6.683 335 3HZ LYS 42 HZ3 LYS 42 -0.259 -0.761 -6.899 336 H SER 43 HN SER 43 -3.992 -4.863 -4.911 337 HA SER 43 HA SER 43 -4.620 -6.023 -2.394 338 1HB SER 43 HB2 SER 43 -6.483 -4.680 -4.349 339 2HB SER 43 HB1 SER 43 -6.763 -4.919 -2.626 340 HG SER 43 HG SER 43 -4.944 -3.183 -3.924 341 H ALA 44 HN ALA 44 -5.348 -6.968 -5.687 342 HA ALA 44 HA ALA 44 -7.411 -8.864 -5.074 343 1HB ALA 44 HB2 ALA 44 -5.675 -8.390 -7.496 344 2HB ALA 44 HB1 ALA 44 -6.836 -9.717 -7.416 345 3HB ALA 44 HB3 ALA 44 -7.394 -8.048 -7.295 346 H ALA 45 HN ALA 45 -3.927 -9.133 -5.768 347 HA ALA 45 HA ALA 45 -3.742 -11.957 -5.495 348 1HB ALA 45 HB1 ALA 45 -2.052 -10.583 -6.657 349 2HB ALA 45 HB3 ALA 45 -1.585 -9.866 -5.113 350 3HB ALA 45 HB2 ALA 45 -1.331 -11.592 -5.401 351 H SER 46 HN SER 46 -3.290 -9.292 -3.175 352 HA SER 46 HA SER 46 -2.413 -10.886 -1.008 353 1HB SER 46 HB2 SER 46 -3.362 -8.078 -1.462 354 2HB SER 46 HB1 SER 46 -3.135 -8.684 0.149 355 HG SER 46 HG SER 46 -1.249 -7.630 -0.761 356 H GLY 47 HN GLY 47 -5.541 -9.922 -2.259 357 1HA GLY 47 HA2 GLY 47 -7.641 -10.776 -1.774 358 2HA GLY 47 HA1 GLY 47 -6.937 -11.709 -0.458 359 H ILE 48 HN ILE 48 -6.960 -8.223 -1.150 360 HA ILE 48 HA ILE 48 -7.850 -7.649 1.596 361 HB ILE 48 HB ILE 48 -6.873 -5.745 -0.548 362 1HG1 ILE 48 HG12 ILE 48 -5.350 -7.007 1.755 363 2HG1 ILE 48 HG11 ILE 48 -5.114 -7.364 0.047 364 1HG2 ILE 48 HG21 ILE 48 -7.220 -5.390 2.436 365 2HG2 ILE 48 HG23 ILE 48 -6.508 -4.208 1.339 366 3HG2 ILE 48 HG22 ILE 48 -8.207 -4.645 1.179 367 1HD1 ILE 48 HD12 ILE 48 -4.586 -4.894 -0.269 368 2HD1 ILE 48 HD11 ILE 48 -4.528 -4.786 1.493 369 3HD1 ILE 48 HD13 ILE 48 -3.400 -5.838 0.639 370 HA PRO 49 HA PRO 49 -11.981 -7.038 -0.055 371 1HB PRO 49 HB2 PRO 49 -13.130 -6.025 2.201 372 2HB PRO 49 HB1 PRO 49 -12.812 -7.747 1.941 373 1HG PRO 49 HG2 PRO 49 -11.252 -5.748 3.528 374 2HG PRO 49 HG1 PRO 49 -11.627 -7.439 3.907 375 1HD PRO 49 HD2 PRO 49 -9.213 -6.631 2.934 376 2HD PRO 49 HD1 PRO 49 -9.889 -8.243 2.624 377 H TYR 50 HN TYR 50 -12.492 -5.432 -1.380 378 HA TYR 50 HA TYR 50 -11.552 -2.713 -0.970 379 1HB TYR 50 HB2 TYR 50 -11.402 -3.732 -3.166 380 2HB TYR 50 HB1 TYR 50 -13.136 -3.992 -3.209 381 HD1 TYR 50 HD1 TYR 50 -10.468 -1.439 -3.329 382 HD2 TYR 50 HD2 TYR 50 -14.644 -2.219 -3.786 383 HE1 TYR 50 HE1 TYR 50 -10.768 0.773 -4.376 384 HE2 TYR 50 HE2 TYR 50 -14.932 -0.009 -4.840 385 HH TYR 50 HH TYR 50 -13.915 2.097 -5.018 386 H HIS 51 HN HIS 51 -14.491 -4.477 -0.470 387 HA HIS 51 HA HIS 51 -15.761 -2.209 0.752 388 1HB HIS 51 HB2 HIS 51 -17.791 -2.224 -0.656 389 2HB HIS 51 HB1 HIS 51 -16.369 -1.705 -1.538 390 HD1 HIS 51 HD1 HIS 51 -19.192 -3.321 -2.346 391 HD2 HIS 51 HD2 HIS 51 -15.259 -4.562 -2.646 392 HE1 HIS 51 HE1 HIS 51 -19.205 -5.111 -4.101 393 H SER 52 HN SER 52 -18.450 -3.391 0.531 394 HA SER 52 HA SER 52 -18.298 -5.191 2.739 395 1HB SER 52 HB2 SER 52 -20.836 -5.419 2.169 396 2HB SER 52 HB1 SER 52 -20.210 -3.891 2.772 397 HG SER 52 HG SER 52 -21.605 -4.109 0.655 398 H GLU 53 HN GLU 53 -20.326 -6.001 -0.032 399 HA GLU 53 HA GLU 53 -19.501 -8.789 0.130 400 1HB GLU 53 HB2 GLU 53 -21.441 -7.566 -1.843 401 2HB GLU 53 HB1 GLU 53 -21.303 -9.254 -1.378 402 1HG GLU 53 HG2 GLU 53 -22.152 -7.003 0.470 403 2HG GLU 53 HG1 GLU 53 -23.247 -8.125 -0.327 404 H VAL 54 HN VAL 54 -17.396 -8.779 -0.565 405 HA VAL 54 HA VAL 54 -16.538 -7.624 -3.049 406 HB VAL 54 HB VAL 54 -15.226 -9.405 -1.007 407 1HG1 VAL 54 HG13 VAL 54 -14.202 -8.567 -3.695 408 2HG1 VAL 54 HG12 VAL 54 -13.091 -8.773 -2.343 409 3HG1 VAL 54 HG11 VAL 54 -14.074 -10.130 -2.894 410 1HG2 VAL 54 HG21 VAL 54 -15.702 -6.734 -0.965 411 2HG2 VAL 54 HG23 VAL 54 -14.350 -7.515 -0.140 412 3HG2 VAL 54 HG22 VAL 54 -14.111 -6.776 -1.723 413 HA PRO 55 HA PRO 55 -16.561 -12.131 -4.628 414 1HB PRO 55 HB2 PRO 55 -17.753 -14.100 -3.192 415 2HB PRO 55 HB1 PRO 55 -16.068 -13.613 -2.976 416 1HG PRO 55 HG2 PRO 55 -18.405 -13.110 -1.257 417 2HG PRO 55 HG1 PRO 55 -16.689 -13.180 -0.836 418 1HD PRO 55 HD2 PRO 55 -18.281 -10.858 -1.214 419 2HD PRO 55 HD1 PRO 55 -16.534 -10.933 -0.936 420 H VAL 56 HN VAL 56 -17.924 -12.603 -6.255 421 HA VAL 56 HA VAL 56 -20.843 -12.656 -5.836 422 HB VAL 56 HB VAL 56 -19.333 -10.982 -7.847 423 1HG1 VAL 56 HG11 VAL 56 -22.209 -11.883 -7.905 424 2HG1 VAL 56 HG13 VAL 56 -21.676 -10.401 -8.695 425 3HG1 VAL 56 HG12 VAL 56 -21.011 -11.952 -9.200 426 1HG2 VAL 56 HG22 VAL 56 -21.196 -10.436 -5.568 427 2HG2 VAL 56 HG21 VAL 56 -19.652 -9.677 -5.962 428 3HG2 VAL 56 HG23 VAL 56 -21.090 -9.296 -6.911 429 H SER 57 HN SER 57 -21.862 -14.192 -7.026 430 HA SER 57 HA SER 57 -20.244 -16.150 -8.421 431 1HB SER 57 HB2 SER 57 -23.191 -16.222 -7.905 432 2HB SER 57 HB1 SER 57 -22.105 -17.563 -8.182 433 HG SER 57 HG SER 57 -21.111 -17.145 -6.179 434 H LEU 58 HN LEU 58 -20.194 -16.470 -10.571 435 HA LEU 58 HA LEU 58 -21.942 -14.841 -12.322 436 1HB LEU 58 HB2 LEU 58 -19.241 -16.126 -12.735 437 2HB LEU 58 HB1 LEU 58 -20.231 -15.612 -14.097 438 HG LEU 58 HG LEU 58 -19.389 -13.808 -11.841 439 1HD1 LEU 58 HD21 LEU 58 -17.437 -14.536 -13.121 440 2HD1 LEU 58 HD23 LEU 58 -18.233 -14.072 -14.625 441 3HD1 LEU 58 HD22 LEU 58 -17.791 -12.838 -13.440 442 1HD2 LEU 58 HD12 LEU 58 -20.965 -13.418 -14.355 443 2HD2 LEU 58 HD11 LEU 58 -21.266 -12.794 -12.732 444 3HD2 LEU 58 HD13 LEU 58 -19.987 -12.091 -13.726 445 H LYS 59 HN LYS 59 -23.249 -16.864 -11.172 446 HA LYS 59 HA LYS 59 -23.160 -19.286 -12.768 447 1HB LYS 59 HB2 LYS 59 -23.767 -19.074 -10.257 448 2HB LYS 59 HB1 LYS 59 -25.352 -18.563 -10.826 449 1HG LYS 59 HG2 LYS 59 -24.278 -21.019 -12.083 450 2HG LYS 59 HG1 LYS 59 -24.660 -21.149 -10.369 451 1HD LYS 59 HD2 LYS 59 -26.937 -20.354 -10.798 452 2HD LYS 59 HD1 LYS 59 -26.572 -20.177 -12.511 453 1HE LYS 59 HE2 LYS 59 -26.596 -22.763 -10.938 454 2HE LYS 59 HE1 LYS 59 -27.802 -22.242 -12.108 455 1HZ LYS 59 HZ3 LYS 59 -25.076 -22.340 -13.096 456 2HZ LYS 59 HZ2 LYS 59 -25.766 -23.844 -12.702 457 3HZ LYS 59 HZ1 LYS 59 -26.526 -22.817 -13.840 458 H GLU 60 HN GLU 60 -23.629 -18.659 -14.855 459 HA GLU 60 HA GLU 60 -24.889 -18.170 -16.690 460 1HB GLU 60 HB2 GLU 60 -27.245 -18.719 -14.866 461 2HB GLU 60 HB1 GLU 60 -27.265 -18.697 -16.625 462 1HG GLU 60 HG2 GLU 60 -25.788 -20.618 -16.727 463 2HG GLU 60 HG1 GLU 60 -25.576 -20.594 -14.978 464 H ALA 61 HN ALA 61 -23.922 -15.947 -15.852 465 HA ALA 61 HA ALA 61 -25.878 -13.957 -15.061 466 1HB ALA 61 HB3 ALA 61 -23.004 -13.681 -16.004 467 2HB ALA 61 HB2 ALA 61 -23.994 -12.373 -15.347 468 3HB ALA 61 HB1 ALA 61 -23.559 -13.746 -14.326 469 H ILE 62 HN ILE 62 -26.723 -12.317 -16.335 470 HA ILE 62 HA ILE 62 -26.747 -12.807 -19.238 471 HB ILE 62 HB ILE 62 -28.429 -10.979 -17.507 472 1HG1 ILE 62 HG12 ILE 62 -29.910 -13.030 -18.840 473 2HG1 ILE 62 HG11 ILE 62 -28.587 -13.781 -17.962 474 1HG2 ILE 62 HG23 ILE 62 -28.234 -11.367 -20.446 475 2HG2 ILE 62 HG22 ILE 62 -29.852 -11.195 -19.757 476 3HG2 ILE 62 HG21 ILE 62 -28.649 -9.922 -19.519 477 1HD1 ILE 62 HD13 ILE 62 -30.489 -11.780 -16.727 478 2HD1 ILE 62 HD12 ILE 62 -30.710 -13.530 -16.644 479 3HD1 ILE 62 HD11 ILE 62 -29.300 -12.784 -15.893 480 H CYS 63 HN CYS 63 -25.794 -11.434 -20.653 481 HA CYS 63 HA CYS 63 -24.747 -8.860 -19.639 482 1HB CYS 63 HB2 CYS 63 -23.017 -10.732 -19.667 483 2HB CYS 63 HB1 CYS 63 -23.148 -10.701 -21.418 484 HG CYS 63 HG CYS 63 -22.484 -7.980 -20.184 485 H GLU 64 HN GLU 64 -25.165 -7.201 -20.921 486 HA GLU 64 HA GLU 64 -25.934 -7.638 -23.761 487 1HB GLU 64 HB2 GLU 64 -27.095 -5.576 -21.865 488 2HB GLU 64 HB1 GLU 64 -27.571 -5.852 -23.537 489 1HG GLU 64 HG2 GLU 64 -28.802 -7.717 -23.035 490 2HG GLU 64 HG1 GLU 64 -27.748 -8.196 -21.709 491 H VAL 65 HN VAL 65 -25.249 -5.963 -25.216 492 HA VAL 65 HA VAL 65 -22.910 -4.470 -24.254 493 HB VAL 65 HB VAL 65 -24.003 -4.573 -27.073 494 1HG1 VAL 65 HG13 VAL 65 -21.333 -3.831 -25.879 495 2HG1 VAL 65 HG12 VAL 65 -21.549 -4.186 -27.595 496 3HG1 VAL 65 HG11 VAL 65 -22.403 -2.829 -26.862 497 1HG2 VAL 65 HG22 VAL 65 -22.566 -6.631 -25.511 498 2HG2 VAL 65 HG21 VAL 65 -23.579 -6.788 -26.947 499 3HG2 VAL 65 HG23 VAL 65 -21.897 -6.285 -27.106 500 H ALA 66 HN ALA 66 -22.719 -2.276 -24.216 501 HA ALA 66 HA ALA 66 -25.028 -0.581 -24.956 502 1HB ALA 66 HB3 ALA 66 -25.060 -1.095 -22.486 503 2HB ALA 66 HB2 ALA 66 -23.489 -0.303 -22.354 504 3HB ALA 66 HB1 ALA 66 -24.903 0.621 -22.868 505 H LEU 67 HN LEU 67 -23.632 -0.204 -26.814 506 HA LEU 67 HA LEU 67 -21.070 1.079 -26.419 507 1HB LEU 67 HB2 LEU 67 -22.338 -0.305 -28.512 508 2HB LEU 67 HB1 LEU 67 -22.095 1.332 -29.105 509 HG LEU 67 HG LEU 67 -19.689 0.951 -28.008 510 1HD1 LEU 67 HD11 LEU 67 -20.702 -1.813 -28.643 511 2HD1 LEU 67 HD13 LEU 67 -18.986 -1.412 -28.555 512 3HD1 LEU 67 HD12 LEU 67 -20.009 -1.224 -27.131 513 1HD2 LEU 67 HD22 LEU 67 -20.206 1.521 -30.369 514 2HD2 LEU 67 HD21 LEU 67 -18.828 0.433 -30.185 515 3HD2 LEU 67 HD23 LEU 67 -20.393 -0.202 -30.704 516 H ASP 68 HN ASP 68 -24.199 2.277 -26.235 517 HA ASP 68 HA ASP 68 -23.361 4.983 -27.112 518 1HB ASP 68 HB2 ASP 68 -25.626 5.513 -27.597 519 2HB ASP 68 HB1 ASP 68 -25.313 3.942 -28.325 520 H TYR 69 HN TYR 69 -23.296 3.396 -24.355 521 HA TYR 69 HA TYR 69 -24.752 5.302 -22.668 522 1HB TYR 69 HB2 TYR 69 -24.581 2.736 -22.288 523 2HB TYR 69 HB1 TYR 69 -22.992 3.096 -21.633 524 HD1 TYR 69 HD1 TYR 69 -26.612 3.469 -21.148 525 HD2 TYR 69 HD2 TYR 69 -22.748 4.327 -19.553 526 HE1 TYR 69 HE1 TYR 69 -27.636 4.062 -18.987 527 HE2 TYR 69 HE2 TYR 69 -23.779 4.936 -17.397 528 HH TYR 69 HH TYR 69 -27.292 4.718 -16.890 529 H LYS 70 HN LYS 70 -23.777 7.168 -22.079 530 HA LYS 70 HA LYS 70 -22.212 8.723 -21.503 531 1HB LYS 70 HB2 LYS 70 -20.454 6.348 -20.798 532 2HB LYS 70 HB1 LYS 70 -20.169 8.019 -20.337 533 1HG LYS 70 HG2 LYS 70 -22.832 7.274 -19.552 534 2HG LYS 70 HG1 LYS 70 -21.696 6.069 -18.959 535 1HD LYS 70 HD2 LYS 70 -21.854 7.716 -17.255 536 2HD LYS 70 HD1 LYS 70 -20.303 7.966 -18.048 537 1HE LYS 70 HE2 LYS 70 -21.361 10.115 -17.688 538 2HE LYS 70 HE1 LYS 70 -21.319 9.775 -19.411 539 1HZ LYS 70 HZ3 LYS 70 -23.712 8.764 -18.729 540 2HZ LYS 70 HZ2 LYS 70 -23.585 10.073 -17.638 541 3HZ LYS 70 HZ1 LYS 70 -23.463 10.345 -19.316 542 H LYS 71 HN LYS 71 -22.447 8.705 -23.993 543 HA LYS 71 HA LYS 71 -21.495 9.289 -25.977 544 1HB LYS 71 HB2 LYS 71 -18.788 8.878 -24.664 545 2HB LYS 71 HB1 LYS 71 -19.113 9.713 -26.177 546 1HG LYS 71 HG2 LYS 71 -20.744 11.077 -24.464 547 2HG LYS 71 HG1 LYS 71 -19.407 10.647 -23.398 548 1HD LYS 71 HD2 LYS 71 -17.831 11.590 -25.096 549 2HD LYS 71 HD1 LYS 71 -19.228 12.137 -26.021 550 1HE LYS 71 HE2 LYS 71 -19.809 13.168 -23.561 551 2HE LYS 71 HE1 LYS 71 -18.047 13.232 -23.543 552 1HZ LYS 71 HZ3 LYS 71 -18.281 14.317 -25.816 553 2HZ LYS 71 HZ2 LYS 71 -19.924 14.542 -25.407 554 3HZ LYS 71 HZ1 LYS 71 -18.703 15.252 -24.448 555 H LYS 72 HN LYS 72 -18.647 7.662 -26.148 556 HA LYS 72 HA LYS 72 -19.806 5.038 -26.794 557 1HB LYS 72 HB2 LYS 72 -18.097 6.646 -28.720 558 2HB LYS 72 HB1 LYS 72 -18.656 4.991 -28.968 559 1HG LYS 72 HG2 LYS 72 -21.039 6.059 -28.605 560 2HG LYS 72 HG1 LYS 72 -20.214 7.556 -29.027 561 1HD LYS 72 HD2 LYS 72 -21.053 6.767 -31.075 562 2HD LYS 72 HD1 LYS 72 -19.356 6.290 -31.096 563 1HE LYS 72 HE2 LYS 72 -19.855 4.074 -31.039 564 2HE LYS 72 HE1 LYS 72 -21.183 4.295 -29.905 565 1HZ LYS 72 HZ1 LYS 72 -21.286 4.857 -32.828 566 2HZ LYS 72 HZ3 LYS 72 -21.959 3.498 -32.046 567 3HZ LYS 72 HZ2 LYS 72 -22.574 5.054 -31.722 568 H LYS 73 HN LYS 73 -18.551 5.132 -24.588 569 HA LYS 73 HA LYS 73 -15.666 4.689 -24.949 570 1HB LYS 73 HB2 LYS 73 -17.396 5.081 -22.506 571 2HB LYS 73 HB1 LYS 73 -15.706 4.582 -22.407 572 1HG LYS 73 HG2 LYS 73 -16.694 7.109 -23.749 573 2HG LYS 73 HG1 LYS 73 -16.000 7.028 -22.133 574 1HD LYS 73 HD2 LYS 73 -14.140 5.723 -23.788 575 2HD LYS 73 HD1 LYS 73 -14.670 7.125 -24.715 576 1HE LYS 73 HE2 LYS 73 -12.755 7.769 -23.410 577 2HE LYS 73 HE1 LYS 73 -14.171 8.547 -22.712 578 1HZ LYS 73 HZ2 LYS 73 -13.437 5.944 -21.622 579 2HZ LYS 73 HZ1 LYS 73 -12.395 7.249 -21.264 580 3HZ LYS 73 HZ3 LYS 73 -14.044 7.328 -20.833 581 H HIS 74 HN HIS 74 -18.032 2.799 -25.625 582 HA HIS 74 HA HIS 74 -18.448 0.552 -25.684 583 1HB HIS 74 HB2 HIS 74 -15.575 0.277 -24.758 584 2HB HIS 74 HB1 HIS 74 -16.543 -0.953 -25.555 585 HD1 HIS 74 HD1 HIS 74 -14.438 1.996 -26.231 586 HD2 HIS 74 HD2 HIS 74 -17.014 -0.449 -28.364 587 HE1 HIS 74 HE1 HIS 74 -14.013 2.539 -28.643 588 H VAL 75 HN VAL 75 -19.977 0.736 -23.953 589 HA VAL 75 HA VAL 75 -19.061 -0.341 -21.349 590 HB VAL 75 HB VAL 75 -21.557 1.231 -22.032 591 1HG1 VAL 75 HG11 VAL 75 -20.528 0.134 -19.427 592 2HG1 VAL 75 HG13 VAL 75 -21.688 1.455 -19.502 593 3HG1 VAL 75 HG12 VAL 75 -22.108 -0.120 -20.171 594 1HG2 VAL 75 HG23 VAL 75 -18.863 2.030 -21.096 595 2HG2 VAL 75 HG22 VAL 75 -20.027 2.913 -22.082 596 3HG2 VAL 75 HG21 VAL 75 -20.238 2.826 -20.330 597 H PHE 76 HN PHE 76 -20.462 -1.932 -20.338 598 HA PHE 76 HA PHE 76 -22.403 -3.259 -22.077 599 1HB PHE 76 HB2 PHE 76 -21.456 -5.449 -21.847 600 2HB PHE 76 HB1 PHE 76 -20.238 -4.390 -22.526 601 HD1 PHE 76 HD2 PHE 76 -21.250 -6.278 -19.540 602 HD2 PHE 76 HD1 PHE 76 -18.201 -3.895 -21.346 603 HE1 PHE 76 HE2 PHE 76 -19.662 -7.005 -17.796 604 HE2 PHE 76 HE1 PHE 76 -16.610 -4.612 -19.607 605 HZ PHE 76 HZ PHE 76 -17.333 -6.166 -17.831 606 H LYS 77 HN LYS 77 -23.979 -4.323 -21.000 607 HA LYS 77 HA LYS 77 -24.311 -3.652 -18.181 608 1HB LYS 77 HB2 LYS 77 -26.096 -3.486 -20.105 609 2HB LYS 77 HB1 LYS 77 -26.287 -5.213 -19.818 610 1HG LYS 77 HG2 LYS 77 -27.364 -4.899 -17.865 611 2HG LYS 77 HG1 LYS 77 -26.291 -3.600 -17.364 612 1HD LYS 77 HD2 LYS 77 -28.418 -2.591 -17.617 613 2HD LYS 77 HD1 LYS 77 -27.506 -2.118 -19.047 614 1HE LYS 77 HE2 LYS 77 -29.757 -2.773 -19.683 615 2HE LYS 77 HE1 LYS 77 -28.596 -3.931 -20.323 616 1HZ LYS 77 HZ3 LYS 77 -29.676 -4.567 -17.711 617 2HZ LYS 77 HZ2 LYS 77 -30.796 -4.616 -18.999 618 3HZ LYS 77 HZ1 LYS 77 -29.383 -5.580 -19.054 619 H LEU 78 HN LEU 78 -24.535 -5.152 -16.568 620 HA LEU 78 HA LEU 78 -24.133 -8.003 -17.179 621 1HB LEU 78 HB2 LEU 78 -21.936 -6.941 -16.605 622 2HB LEU 78 HB1 LEU 78 -22.598 -6.509 -15.043 623 HG LEU 78 HG LEU 78 -22.748 -8.717 -14.374 624 1HD1 LEU 78 HD12 LEU 78 -22.503 -9.437 -17.272 625 2HD1 LEU 78 HD11 LEU 78 -22.173 -10.626 -16.011 626 3HD1 LEU 78 HD13 LEU 78 -23.768 -9.881 -16.123 627 1HD2 LEU 78 HD22 LEU 78 -20.228 -8.173 -15.861 628 2HD2 LEU 78 HD21 LEU 78 -20.528 -8.172 -14.124 629 3HD2 LEU 78 HD23 LEU 78 -20.446 -9.700 -15.001 630 H ARG 79 HN ARG 79 -25.975 -8.818 -16.496 631 HA ARG 79 HA ARG 79 -27.157 -7.911 -13.930 632 1HB ARG 79 HB2 ARG 79 -28.515 -7.455 -15.933 633 2HB ARG 79 HB1 ARG 79 -28.484 -9.163 -16.347 634 1HG ARG 79 HG2 ARG 79 -29.725 -9.725 -14.342 635 2HG ARG 79 HG1 ARG 79 -29.660 -8.057 -13.788 636 1HD ARG 79 HD2 ARG 79 -31.100 -9.097 -16.240 637 2HD ARG 79 HD1 ARG 79 -31.843 -8.498 -14.756 638 HE ARG 79 HE ARG 79 -30.167 -6.487 -15.904 639 1HH1 ARG 79 HH11 ARG 79 -32.260 -7.971 -17.920 640 2HH1 ARG 79 HH12 ARG 79 -33.471 -6.717 -17.987 641 1HH2 ARG 79 HH21 ARG 79 -32.070 -4.849 -15.363 642 2HH2 ARG 79 HH22 ARG 79 -33.335 -4.911 -16.565 643 H LEU 80 HN LEU 80 -27.167 -9.327 -12.318 644 HA LEU 80 HA LEU 80 -26.143 -11.994 -12.633 645 1HB LEU 80 HB2 LEU 80 -27.360 -10.501 -10.304 646 2HB LEU 80 HB1 LEU 80 -26.844 -12.180 -10.178 647 HG LEU 80 HG LEU 80 -25.061 -9.909 -11.063 648 1HD1 LEU 80 HD11 LEU 80 -25.329 -11.207 -8.350 649 2HD1 LEU 80 HD13 LEU 80 -24.007 -10.139 -8.826 650 3HD1 LEU 80 HD12 LEU 80 -25.659 -9.523 -8.764 651 1HD2 LEU 80 HD23 LEU 80 -24.736 -12.816 -10.918 652 2HD2 LEU 80 HD22 LEU 80 -23.803 -11.612 -11.806 653 3HD2 LEU 80 HD21 LEU 80 -23.456 -11.916 -10.106 654 H SER 81 HN SER 81 -27.240 -13.956 -12.319 655 HA SER 81 HA SER 81 -29.706 -14.296 -13.578 656 1HB SER 81 HB2 SER 81 -29.539 -16.568 -12.146 657 2HB SER 81 HB1 SER 81 -28.556 -16.255 -13.573 658 HG SER 81 HG SER 81 -26.984 -16.688 -12.184 659 H ASP 82 HN ASP 82 -28.959 -13.985 -10.152 660 HA ASP 82 HA ASP 82 -31.725 -13.287 -9.546 661 1HB ASP 82 HB2 ASP 82 -31.429 -15.852 -9.328 662 2HB ASP 82 HB1 ASP 82 -30.445 -15.494 -7.913 663 H GLY 83 HN GLY 83 -29.993 -11.414 -9.514 664 1HA GLY 83 HA2 GLY 83 -29.535 -10.792 -6.726 665 2HA GLY 83 HA1 GLY 83 -28.064 -10.955 -7.686 666 H ASN 84 HN ASN 84 -27.339 -8.977 -8.033 667 HA ASN 84 HA ASN 84 -29.120 -6.702 -8.545 668 1HB ASN 84 HB2 ASN 84 -26.135 -6.504 -8.430 669 2HB ASN 84 HB1 ASN 84 -27.333 -5.330 -7.912 670 1HD2 ASN 84 HD22 ASN 84 -27.434 -6.457 -4.612 671 2HD2 ASN 84 HD21 ASN 84 -27.992 -5.350 -5.819 672 H GLU 85 HN GLU 85 -28.176 -5.053 -10.156 673 HA GLU 85 HA GLU 85 -27.088 -6.329 -12.570 674 1HB GLU 85 HB2 GLU 85 -29.246 -6.060 -13.359 675 2HB GLU 85 HB1 GLU 85 -29.625 -4.820 -12.172 676 1HG GLU 85 HG2 GLU 85 -28.609 -3.134 -13.434 677 2HG GLU 85 HG1 GLU 85 -27.785 -4.282 -14.486 678 H TYR 86 HN TYR 86 -25.475 -5.182 -13.492 679 HA TYR 86 HA TYR 86 -24.916 -2.438 -12.526 680 1HB TYR 86 HB2 TYR 86 -22.820 -4.590 -12.838 681 2HB TYR 86 HB1 TYR 86 -22.589 -2.968 -12.208 682 HD1 TYR 86 HD1 TYR 86 -23.342 -2.364 -9.967 683 HD2 TYR 86 HD2 TYR 86 -23.726 -6.355 -11.448 684 HE1 TYR 86 HE1 TYR 86 -23.650 -3.187 -7.674 685 HE2 TYR 86 HE2 TYR 86 -24.033 -7.173 -9.148 686 HH TYR 86 HH TYR 86 -24.551 -6.485 -6.982 687 H LEU 87 HN LEU 87 -23.333 -1.301 -13.839 688 HA LEU 87 HA LEU 87 -23.307 -2.106 -16.699 689 1HB LEU 87 HB2 LEU 87 -23.062 0.733 -15.658 690 2HB LEU 87 HB1 LEU 87 -23.225 0.217 -17.327 691 HG LEU 87 HG LEU 87 -25.316 0.146 -15.167 692 1HD1 LEU 87 HD13 LEU 87 -24.827 2.278 -16.427 693 2HD1 LEU 87 HD12 LEU 87 -25.404 1.455 -17.879 694 3HD1 LEU 87 HD11 LEU 87 -26.494 1.709 -16.512 695 1HD2 LEU 87 HD22 LEU 87 -25.164 -1.347 -17.741 696 2HD2 LEU 87 HD21 LEU 87 -25.932 -1.793 -16.216 697 3HD2 LEU 87 HD23 LEU 87 -26.718 -0.640 -17.289 698 H PHE 88 HN PHE 88 -21.300 -2.463 -17.492 699 HA PHE 88 HA PHE 88 -18.985 -1.556 -15.881 700 1HB PHE 88 HB2 PHE 88 -19.531 -4.118 -17.337 701 2HB PHE 88 HB1 PHE 88 -17.875 -3.594 -17.052 702 HD1 PHE 88 HD1 PHE 88 -17.191 -3.074 -14.623 703 HD2 PHE 88 HD2 PHE 88 -20.732 -5.216 -15.681 704 HE1 PHE 88 HE1 PHE 88 -17.287 -4.034 -12.362 705 HE2 PHE 88 HE2 PHE 88 -20.840 -6.170 -13.418 706 HZ PHE 88 HZ PHE 88 -19.143 -5.456 -11.703 707 H GLN 89 HN GLN 89 -17.773 -0.105 -16.820 708 HA GLN 89 HA GLN 89 -17.838 0.244 -19.757 709 1HB GLN 89 HB2 GLN 89 -18.325 2.325 -18.873 710 2HB GLN 89 HB1 GLN 89 -17.329 2.078 -17.456 711 1HG GLN 89 HG2 GLN 89 -15.296 2.427 -18.739 712 2HG GLN 89 HG1 GLN 89 -16.231 2.541 -20.234 713 1HE2 GLN 89 HE22 GLN 89 -17.464 5.809 -19.536 714 2HE2 GLN 89 HE21 GLN 89 -17.821 4.321 -20.338 715 H ALA 90 HN ALA 90 -16.174 -0.407 -20.931 716 HA ALA 90 HA ALA 90 -13.679 -1.283 -19.646 717 1HB ALA 90 HB2 ALA 90 -14.862 -2.800 -21.229 718 2HB ALA 90 HB1 ALA 90 -14.611 -1.616 -22.513 719 3HB ALA 90 HB3 ALA 90 -13.226 -2.406 -21.758 720 H LYS 91 HN LYS 91 -11.651 -0.858 -20.913 721 HA LYS 91 HA LYS 91 -11.454 2.024 -21.463 722 1HB LYS 91 HB2 LYS 91 -9.372 -0.126 -20.994 723 2HB LYS 91 HB1 LYS 91 -8.990 1.552 -21.366 724 1HG LYS 91 HG2 LYS 91 -9.000 1.829 -19.123 725 2HG LYS 91 HG1 LYS 91 -10.748 1.881 -19.314 726 1HD LYS 91 HD2 LYS 91 -10.498 0.312 -17.612 727 2HD LYS 91 HD1 LYS 91 -10.618 -0.711 -19.040 728 1HE LYS 91 HE2 LYS 91 -7.924 -0.252 -18.932 729 2HE LYS 91 HE1 LYS 91 -8.340 -0.237 -17.223 730 1HZ LYS 91 HZ1 LYS 91 -9.666 -2.408 -18.256 731 2HZ LYS 91 HZ3 LYS 91 -8.154 -2.430 -19.026 732 3HZ LYS 91 HZ2 LYS 91 -8.235 -2.435 -17.320 733 H ASP 92 HN ASP 92 -10.895 -1.102 -22.991 734 HA ASP 92 HA ASP 92 -10.606 0.234 -25.634 735 1HB ASP 92 HB2 ASP 92 -8.492 -0.844 -24.711 736 2HB ASP 92 HB1 ASP 92 -9.312 -2.394 -24.861 737 H ASP 93 HN ASP 93 -11.438 -0.924 -27.447 738 HA ASP 93 HA ASP 93 -13.988 -2.113 -27.091 739 1HB ASP 93 HB2 ASP 93 -13.216 -0.920 -29.154 740 2HB ASP 93 HB1 ASP 93 -12.189 -2.300 -29.530 741 H GLU 94 HN GLU 94 -10.795 -3.508 -27.756 742 HA GLU 94 HA GLU 94 -11.573 -6.221 -28.062 743 1HB GLU 94 HB2 GLU 94 -9.358 -5.290 -28.707 744 2HB GLU 94 HB1 GLU 94 -8.958 -5.113 -27.001 745 1HG GLU 94 HG2 GLU 94 -9.546 -7.694 -26.923 746 2HG GLU 94 HG1 GLU 94 -9.209 -7.607 -28.648 747 H GLU 95 HN GLU 95 -10.642 -4.291 -25.258 748 HA GLU 95 HA GLU 95 -10.590 -6.299 -23.284 749 1HB GLU 95 HB2 GLU 95 -9.906 -3.765 -23.222 750 2HB GLU 95 HB1 GLU 95 -11.563 -3.529 -22.688 751 1HG GLU 95 HG2 GLU 95 -10.961 -5.463 -20.997 752 2HG GLU 95 HG1 GLU 95 -9.308 -4.956 -21.332 753 H MET 96 HN MET 96 -13.231 -4.212 -24.440 754 HA MET 96 HA MET 96 -15.267 -5.042 -22.683 755 1HB MET 96 HB2 MET 96 -15.506 -3.092 -24.138 756 2HB MET 96 HB1 MET 96 -15.462 -4.117 -25.564 757 1HG MET 96 HG2 MET 96 -17.530 -4.863 -23.598 758 2HG MET 96 HG1 MET 96 -17.744 -3.274 -24.312 759 1HE MET 96 HE3 MET 96 -18.057 -2.703 -26.579 760 2HE MET 96 HE2 MET 96 -16.937 -3.624 -27.581 761 3HE MET 96 HE1 MET 96 -18.673 -3.764 -27.856 762 H ASN 97 HN ASN 97 -14.243 -6.344 -25.829 763 HA ASN 97 HA ASN 97 -16.188 -8.402 -26.038 764 1HB ASN 97 HB2 ASN 97 -14.661 -7.489 -27.885 765 2HB ASN 97 HB1 ASN 97 -13.396 -8.509 -27.209 766 1HD2 ASN 97 HD22 ASN 97 -14.516 -10.966 -29.452 767 2HD2 ASN 97 HD21 ASN 97 -13.261 -9.837 -29.012 768 H THR 98 HN THR 98 -12.845 -8.398 -24.826 769 HA THR 98 HA THR 98 -12.632 -11.114 -24.132 770 HB THR 98 HB THR 98 -11.273 -8.846 -22.673 771 HG1 THR 98 HG1 THR 98 -11.031 -8.461 -24.880 772 1HG2 THR 98 HG23 THR 98 -10.540 -11.719 -23.257 773 2HG2 THR 98 HG22 THR 98 -9.373 -10.523 -22.685 774 3HG2 THR 98 HG21 THR 98 -10.758 -10.951 -21.683 775 H TRP 99 HN TRP 99 -13.773 -8.336 -22.208 776 HA TRP 99 HA TRP 99 -14.147 -9.711 -19.755 777 1HB TRP 99 HB2 TRP 99 -15.217 -7.155 -20.916 778 2HB TRP 99 HB1 TRP 99 -15.892 -7.775 -19.415 779 HD1 TRP 99 HD1 TRP 99 -13.349 -5.403 -20.465 780 HE1 TRP 99 HE1 TRP 99 -11.592 -5.050 -18.644 781 HE3 TRP 99 HE3 TRP 99 -14.374 -9.432 -17.452 782 HZ2 TRP 99 HZ2 TRP 99 -10.724 -6.272 -16.276 783 HZ3 TRP 99 HZ3 TRP 99 -13.018 -9.771 -15.416 784 HH2 TRP 99 HH2 TRP 99 -11.217 -8.208 -14.835 785 H ILE 100 HN ILE 100 -16.468 -8.893 -22.344 786 HA ILE 100 HA ILE 100 -18.718 -10.156 -21.202 787 HB ILE 100 HB ILE 100 -18.008 -9.490 -24.063 788 1HG1 ILE 100 HG12 ILE 100 -19.976 -8.222 -22.147 789 2HG1 ILE 100 HG11 ILE 100 -18.341 -7.635 -22.407 790 1HG2 ILE 100 HG21 ILE 100 -20.559 -10.645 -22.939 791 2HG2 ILE 100 HG23 ILE 100 -20.510 -9.744 -24.460 792 3HG2 ILE 100 HG22 ILE 100 -19.596 -11.243 -24.291 793 1HD1 ILE 100 HD11 ILE 100 -18.998 -7.523 -24.901 794 2HD1 ILE 100 HD13 ILE 100 -20.656 -7.652 -24.319 795 3HD1 ILE 100 HD12 ILE 100 -19.649 -6.296 -23.814 796 H GLN 101 HN GLN 101 -16.254 -11.388 -23.478 797 HA GLN 101 HA GLN 101 -17.429 -13.961 -23.822 798 1HB GLN 101 HB2 GLN 101 -14.644 -12.891 -24.265 799 2HB GLN 101 HB1 GLN 101 -15.043 -14.587 -24.538 800 1HG GLN 101 HG2 GLN 101 -17.023 -13.566 -25.963 801 2HG GLN 101 HG1 GLN 101 -15.976 -12.154 -26.029 802 1HE2 GLN 101 HE22 GLN 101 -15.345 -14.765 -28.788 803 2HE2 GLN 101 HE21 GLN 101 -16.834 -14.210 -28.072 804 H ALA 102 HN ALA 102 -15.062 -12.688 -21.495 805 HA ALA 102 HA ALA 102 -14.326 -15.160 -20.299 806 1HB ALA 102 HB3 ALA 102 -14.325 -12.362 -19.128 807 2HB ALA 102 HB2 ALA 102 -13.520 -13.766 -18.420 808 3HB ALA 102 HB1 ALA 102 -12.992 -13.140 -19.982 809 H ILE 103 HN ILE 103 -16.801 -12.751 -19.424 810 HA ILE 103 HA ILE 103 -17.805 -14.131 -17.128 811 HB ILE 103 HB ILE 103 -19.034 -12.013 -18.907 812 1HG1 ILE 103 HG12 ILE 103 -18.059 -11.538 -16.121 813 2HG1 ILE 103 HG11 ILE 103 -16.866 -11.662 -17.410 814 1HG2 ILE 103 HG21 ILE 103 -20.164 -13.487 -16.627 815 2HG2 ILE 103 HG23 ILE 103 -20.246 -11.736 -16.461 816 3HG2 ILE 103 HG22 ILE 103 -20.970 -12.522 -17.864 817 1HD1 ILE 103 HD13 ILE 103 -18.426 -9.942 -18.631 818 2HD1 ILE 103 HD12 ILE 103 -18.998 -9.603 -17.001 819 3HD1 ILE 103 HD11 ILE 103 -17.292 -9.383 -17.398 820 H SER 104 HN SER 104 -18.767 -14.052 -20.556 821 HA SER 104 HA SER 104 -21.101 -15.655 -20.309 822 1HB SER 104 HB2 SER 104 -19.329 -15.254 -22.726 823 2HB SER 104 HB1 SER 104 -20.974 -15.886 -22.737 824 HG SER 104 HG SER 104 -20.072 -13.261 -22.223 825 H SER 105 HN SER 105 -17.707 -16.469 -20.578 826 HA SER 105 HA SER 105 -18.201 -19.267 -21.196 827 1HB SER 105 HB2 SER 105 -15.632 -17.846 -20.473 828 2HB SER 105 HB1 SER 105 -15.764 -19.498 -21.070 829 HG SER 105 HG SER 105 -16.281 -17.066 -22.425 830 H ALA 106 HN ALA 106 -18.769 -17.645 -18.461 831 HA ALA 106 HA ALA 106 -17.424 -19.305 -16.508 832 1HB ALA 106 HB1 ALA 106 -18.060 -16.957 -16.028 833 2HB ALA 106 HB3 ALA 106 -19.760 -17.405 -16.164 834 3HB ALA 106 HB2 ALA 106 -18.770 -18.088 -14.876 No H/Q in entry = 834 Start of MODEL 40 1 1H MET 1 HT3 MET 1 -9.785 -11.334 -17.732 2 2H MET 1 HT2 MET 1 -8.127 -11.731 -17.617 3 3H MET 1 HT1 MET 1 -9.225 -12.845 -18.297 4 HA MET 1 HA MET 1 -10.304 -13.176 -16.227 5 1HB MET 1 HB2 MET 1 -8.064 -14.343 -16.787 6 2HB MET 1 HB1 MET 1 -7.367 -13.273 -15.578 7 1HG MET 1 HG2 MET 1 -7.893 -15.007 -14.197 8 2HG MET 1 HG1 MET 1 -9.444 -14.183 -14.152 9 1HE MET 1 HE1 MET 1 -8.450 -17.320 -13.650 10 2HE MET 1 HE3 MET 1 -9.003 -18.443 -14.899 11 3HE MET 1 HE2 MET 1 -7.558 -17.468 -15.163 12 H GLU 2 HN GLU 2 -7.491 -11.019 -15.744 13 HA GLU 2 HA GLU 2 -8.954 -9.681 -13.526 14 1HB GLU 2 HB2 GLU 2 -5.956 -10.002 -13.781 15 2HB GLU 2 HB1 GLU 2 -6.831 -9.270 -12.442 16 1HG GLU 2 HG2 GLU 2 -7.021 -11.250 -11.436 17 2HG GLU 2 HG1 GLU 2 -7.878 -11.903 -12.828 18 H GLY 3 HN GLY 3 -8.834 -7.426 -13.443 19 1HA GLY 3 HA2 GLY 3 -7.114 -5.741 -14.803 20 2HA GLY 3 HA1 GLY 3 -8.417 -6.090 -15.935 21 H PHE 4 HN PHE 4 -8.161 -3.544 -15.320 22 HA PHE 4 HA PHE 4 -9.876 -2.796 -13.066 23 1HB PHE 4 HB2 PHE 4 -8.163 -1.294 -15.017 24 2HB PHE 4 HB1 PHE 4 -9.408 -0.448 -14.120 25 HD1 PHE 4 HD1 PHE 4 -9.402 -0.781 -11.539 26 HD2 PHE 4 HD2 PHE 4 -6.062 -1.554 -14.085 27 HE1 PHE 4 HE1 PHE 4 -7.886 -0.577 -9.609 28 HE2 PHE 4 HE2 PHE 4 -4.546 -1.352 -12.158 29 HZ PHE 4 HZ PHE 4 -5.475 -0.846 -9.907 30 H LEU 5 HN LEU 5 -11.853 -1.786 -13.293 31 HA LEU 5 HA LEU 5 -13.047 -1.364 -15.930 32 1HB LEU 5 HB2 LEU 5 -13.721 -3.635 -14.139 33 2HB LEU 5 HB1 LEU 5 -15.090 -2.738 -14.769 34 HG LEU 5 HG LEU 5 -12.903 -3.958 -16.445 35 1HD1 LEU 5 HD13 LEU 5 -15.659 -4.906 -15.723 36 2HD1 LEU 5 HD12 LEU 5 -14.850 -5.447 -17.192 37 3HD1 LEU 5 HD11 LEU 5 -14.127 -5.772 -15.616 38 1HD2 LEU 5 HD23 LEU 5 -15.231 -2.222 -17.069 39 2HD2 LEU 5 HD22 LEU 5 -13.640 -2.307 -17.827 40 3HD2 LEU 5 HD21 LEU 5 -14.857 -3.529 -18.194 41 H ASN 6 HN ASN 6 -14.777 0.056 -15.871 42 HA ASN 6 HA ASN 6 -15.119 1.609 -13.416 43 1HB ASN 6 HB2 ASN 6 -15.337 2.124 -16.263 44 2HB ASN 6 HB1 ASN 6 -16.819 2.589 -15.451 45 1HD2 ASN 6 HD22 ASN 6 -15.256 5.659 -14.857 46 2HD2 ASN 6 HD21 ASN 6 -16.488 4.786 -15.700 47 H ARG 7 HN ARG 7 -16.661 1.040 -12.006 48 HA ARG 7 HA ARG 7 -18.926 -0.613 -12.973 49 1HB ARG 7 HB2 ARG 7 -17.240 -1.555 -11.299 50 2HB ARG 7 HB1 ARG 7 -17.950 -0.450 -10.127 51 1HG ARG 7 HG2 ARG 7 -20.202 -1.593 -11.070 52 2HG ARG 7 HG1 ARG 7 -19.073 -2.912 -11.342 53 1HD ARG 7 HD2 ARG 7 -18.408 -2.856 -8.973 54 2HD ARG 7 HD1 ARG 7 -19.511 -1.503 -8.691 55 HE ARG 7 HE ARG 7 -20.960 -3.646 -9.833 56 1HH1 ARG 7 HH21 ARG 7 -21.638 -2.065 -7.242 57 2HH1 ARG 7 HH22 ARG 7 -21.676 -3.369 -6.089 58 1HH2 ARG 7 HH11 ARG 7 -19.881 -5.585 -8.128 59 2HH2 ARG 7 HH12 ARG 7 -20.647 -5.371 -6.580 60 H LYS 8 HN LYS 8 -20.929 -0.093 -12.618 61 HA LYS 8 HA LYS 8 -21.710 2.090 -10.802 62 1HB LYS 8 HB2 LYS 8 -21.633 3.088 -13.031 63 2HB LYS 8 HB1 LYS 8 -22.604 1.779 -13.685 64 1HG LYS 8 HG2 LYS 8 -24.303 2.584 -11.788 65 2HG LYS 8 HG1 LYS 8 -23.426 4.090 -11.965 66 1HD LYS 8 HD2 LYS 8 -24.092 4.360 -14.195 67 2HD LYS 8 HD1 LYS 8 -24.534 2.662 -14.362 68 1HE LYS 8 HE2 LYS 8 -26.474 2.932 -12.984 69 2HE LYS 8 HE1 LYS 8 -25.970 4.546 -12.485 70 1HZ LYS 8 HZ3 LYS 8 -26.229 4.286 -15.331 71 2HZ LYS 8 HZ2 LYS 8 -27.681 3.984 -14.503 72 3HZ LYS 8 HZ1 LYS 8 -26.857 5.468 -14.281 73 H HIS 9 HN HIS 9 -23.407 1.470 -9.575 74 HA HIS 9 HA HIS 9 -24.784 -1.048 -10.272 75 1HB HIS 9 HB2 HIS 9 -25.359 -1.220 -7.872 76 2HB HIS 9 HB1 HIS 9 -23.635 -1.249 -8.181 77 HD1 HIS 9 HD1 HIS 9 -24.207 -0.689 -5.429 78 HD2 HIS 9 HD2 HIS 9 -24.284 2.383 -8.195 79 HE1 HIS 9 HE1 HIS 9 -23.841 1.396 -4.091 80 H GLU 10 HN GLU 10 -26.586 -0.653 -11.332 81 HA GLU 10 HA GLU 10 -28.249 1.685 -10.775 82 1HB GLU 10 HB2 GLU 10 -27.705 0.772 -13.114 83 2HB GLU 10 HB1 GLU 10 -28.835 -0.527 -12.751 84 1HG GLU 10 HG2 GLU 10 -30.237 0.972 -13.815 85 2HG GLU 10 HG1 GLU 10 -30.465 1.461 -12.139 86 H TRP 11 HN TRP 11 -28.489 -1.867 -10.626 87 HA TRP 11 HA TRP 11 -30.760 -1.578 -8.753 88 1HB TRP 11 HB2 TRP 11 -31.385 -2.308 -11.142 89 2HB TRP 11 HB1 TRP 11 -30.571 -3.820 -10.768 90 HD1 TRP 11 HD1 TRP 11 -33.423 -1.638 -9.228 91 HE1 TRP 11 HE1 TRP 11 -35.152 -3.223 -8.236 92 HE3 TRP 11 HE3 TRP 11 -31.144 -6.119 -10.169 93 HZ2 TRP 11 HZ2 TRP 11 -35.552 -5.979 -7.904 94 HZ3 TRP 11 HZ3 TRP 11 -32.272 -8.199 -9.500 95 HH2 TRP 11 HH2 TRP 11 -34.449 -8.131 -8.371 96 H GLU 12 HN GLU 12 -30.077 -2.268 -6.853 97 HA GLU 12 HA GLU 12 -29.016 -4.921 -6.474 98 1HB GLU 12 HB2 GLU 12 -26.950 -4.259 -5.340 99 2HB GLU 12 HB1 GLU 12 -26.936 -3.722 -7.015 100 1HG GLU 12 HG2 GLU 12 -26.901 -1.519 -6.451 101 2HG GLU 12 HG1 GLU 12 -28.026 -1.734 -5.115 102 H ALA 13 HN ALA 13 -31.184 -2.907 -5.657 103 HA ALA 13 HA ALA 13 -30.974 -3.225 -2.718 104 1HB ALA 13 HB1 ALA 13 -32.101 -1.021 -4.428 105 2HB ALA 13 HB3 ALA 13 -32.692 -1.263 -2.786 106 3HB ALA 13 HB2 ALA 13 -30.987 -0.912 -3.065 107 H HIS 14 HN HIS 14 -33.386 -2.938 -1.839 108 HA HIS 14 HA HIS 14 -34.785 -5.309 -2.658 109 1HB HIS 14 HB2 HIS 14 -35.333 -3.126 -0.649 110 2HB HIS 14 HB1 HIS 14 -36.489 -4.419 -0.946 111 HD1 HIS 14 HD1 HIS 14 -35.305 -6.921 -0.720 112 HD2 HIS 14 HD2 HIS 14 -33.565 -3.792 1.361 113 HE1 HIS 14 HE1 HIS 14 -33.927 -8.013 1.065 114 H ASN 15 HN ASN 15 -35.346 -4.935 -4.824 115 HA ASN 15 HA ASN 15 -36.900 -4.572 -6.466 116 1HB ASN 15 HB2 ASN 15 -38.546 -4.641 -4.494 117 2HB ASN 15 HB1 ASN 15 -38.537 -2.881 -4.573 118 1HD2 ASN 15 HD22 ASN 15 -40.776 -2.743 -7.239 119 2HD2 ASN 15 HD21 ASN 15 -39.934 -1.946 -5.941 120 H LYS 16 HN LYS 16 -36.372 -1.656 -4.502 121 HA LYS 16 HA LYS 16 -36.742 0.204 -6.633 122 1HB LYS 16 HB2 LYS 16 -35.338 0.541 -3.974 123 2HB LYS 16 HB1 LYS 16 -35.829 1.848 -5.053 124 1HG LYS 16 HG2 LYS 16 -38.169 1.248 -4.791 125 2HG LYS 16 HG1 LYS 16 -37.732 -0.155 -3.821 126 1HD LYS 16 HD2 LYS 16 -36.483 2.000 -2.542 127 2HD LYS 16 HD1 LYS 16 -38.065 2.617 -3.019 128 1HE LYS 16 HE2 LYS 16 -39.058 0.526 -1.969 129 2HE LYS 16 HE1 LYS 16 -37.458 0.199 -1.305 130 1HZ LYS 16 HZ1 LYS 16 -37.718 2.669 -0.483 131 2HZ LYS 16 HZ3 LYS 16 -39.380 2.300 -0.602 132 3HZ LYS 16 HZ2 LYS 16 -38.367 1.363 0.402 133 H LYS 17 HN LYS 17 -35.185 1.643 -7.529 134 HA LYS 17 HA LYS 17 -32.623 0.342 -8.204 135 1HB LYS 17 HB2 LYS 17 -34.037 2.752 -9.385 136 2HB LYS 17 HB1 LYS 17 -32.520 2.078 -9.970 137 1HG LYS 17 HG2 LYS 17 -34.709 0.118 -9.751 138 2HG LYS 17 HG1 LYS 17 -34.991 1.400 -10.922 139 1HD LYS 17 HD2 LYS 17 -32.874 0.900 -12.029 140 2HD LYS 17 HD1 LYS 17 -32.515 -0.329 -10.826 141 1HE LYS 17 HE2 LYS 17 -33.446 -1.773 -12.287 142 2HE LYS 17 HE1 LYS 17 -34.983 -1.138 -11.707 143 1HZ LYS 17 HZ3 LYS 17 -33.748 0.426 -13.809 144 2HZ LYS 17 HZ2 LYS 17 -34.194 -1.153 -14.272 145 3HZ LYS 17 HZ1 LYS 17 -35.364 -0.090 -13.627 146 H ALA 18 HN ALA 18 -30.659 1.550 -8.155 147 HA ALA 18 HA ALA 18 -30.439 3.352 -5.860 148 1HB ALA 18 HB3 ALA 18 -28.444 1.936 -7.625 149 2HB ALA 18 HB2 ALA 18 -27.947 3.172 -6.467 150 3HB ALA 18 HB1 ALA 18 -28.746 1.704 -5.902 151 H SER 19 HN SER 19 -29.440 5.414 -5.990 152 HA SER 19 HA SER 19 -28.929 6.681 -8.551 153 1HB SER 19 HB2 SER 19 -31.267 7.645 -6.878 154 2HB SER 19 HB1 SER 19 -30.643 8.412 -8.338 155 HG SER 19 HG SER 19 -31.153 5.809 -8.822 156 H SER 20 HN SER 20 -26.895 6.970 -7.561 157 HA SER 20 HA SER 20 -26.790 9.196 -5.598 158 1HB SER 20 HB2 SER 20 -26.279 6.929 -4.577 159 2HB SER 20 HB1 SER 20 -24.878 6.842 -5.638 160 HG SER 20 HG SER 20 -25.173 8.167 -3.292 161 H ARG 21 HN ARG 21 -24.638 7.236 -7.609 162 HA ARG 21 HA ARG 21 -24.022 9.060 -9.613 163 1HB ARG 21 HB2 ARG 21 -22.886 10.160 -7.445 164 2HB ARG 21 HB1 ARG 21 -21.650 8.956 -7.762 165 1HG ARG 21 HG2 ARG 21 -20.804 10.630 -9.052 166 2HG ARG 21 HG1 ARG 21 -21.892 9.929 -10.244 167 1HD ARG 21 HD2 ARG 21 -22.262 12.420 -8.584 168 2HD ARG 21 HD1 ARG 21 -22.344 12.247 -10.337 169 HE ARG 21 HE ARG 21 -24.411 11.281 -8.427 170 1HH1 ARG 21 HH21 ARG 21 -23.661 10.830 -11.672 171 2HH1 ARG 21 HH22 ARG 21 -25.157 11.466 -12.313 172 1HH2 ARG 21 HH11 ARG 21 -26.254 12.725 -9.206 173 2HH2 ARG 21 HH12 ARG 21 -26.645 12.535 -10.899 174 H SER 22 HN SER 22 -22.098 7.049 -7.464 175 HA SER 22 HA SER 22 -20.676 5.294 -7.843 176 1HB SER 22 HB2 SER 22 -22.877 3.843 -9.145 177 2HB SER 22 HB1 SER 22 -21.920 3.429 -7.732 178 HG SER 22 HG SER 22 -23.788 3.954 -6.789 179 H TRP 23 HN TRP 23 -19.157 5.800 -9.299 180 HA TRP 23 HA TRP 23 -19.123 4.278 -11.734 181 1HB TRP 23 HB2 TRP 23 -19.551 7.217 -11.861 182 2HB TRP 23 HB1 TRP 23 -18.236 6.624 -12.864 183 HD1 TRP 23 HD1 TRP 23 -21.645 7.513 -13.336 184 HE1 TRP 23 HE1 TRP 23 -22.768 6.179 -15.205 185 HE3 TRP 23 HE3 TRP 23 -18.297 3.651 -13.815 186 HZ2 TRP 23 HZ2 TRP 23 -22.345 3.832 -16.684 187 HZ3 TRP 23 HZ3 TRP 23 -18.726 1.894 -15.492 188 HH2 TRP 23 HH2 TRP 23 -20.724 1.986 -16.919 189 H HIS 24 HN HIS 24 -17.698 3.442 -10.052 190 HA HIS 24 HA HIS 24 -15.129 4.902 -9.794 191 1HB HIS 24 HB2 HIS 24 -14.743 3.126 -7.950 192 2HB HIS 24 HB1 HIS 24 -15.854 4.449 -7.633 193 HD1 HIS 24 HD1 HIS 24 -18.199 3.826 -6.988 194 HD2 HIS 24 HD2 HIS 24 -16.098 0.597 -8.496 195 HE1 HIS 24 HE1 HIS 24 -19.689 1.851 -6.610 196 H ASN 25 HN ASN 25 -13.192 3.932 -10.231 197 HA ASN 25 HA ASN 25 -13.232 1.770 -12.201 198 1HB ASN 25 HB2 ASN 25 -11.875 3.982 -12.347 199 2HB ASN 25 HB1 ASN 25 -10.772 3.217 -11.209 200 1HD2 ASN 25 HD22 ASN 25 -11.078 1.810 -15.050 201 2HD2 ASN 25 HD21 ASN 25 -12.345 2.759 -14.349 202 H VAL 26 HN VAL 26 -13.765 0.014 -10.916 203 HA VAL 26 HA VAL 26 -12.032 -0.736 -8.673 204 HB VAL 26 HB VAL 26 -14.589 -0.824 -8.673 205 1HG1 VAL 26 HG13 VAL 26 -14.613 -2.062 -10.936 206 2HG1 VAL 26 HG12 VAL 26 -14.268 -3.507 -9.986 207 3HG1 VAL 26 HG11 VAL 26 -15.736 -2.580 -9.682 208 1HG2 VAL 26 HG21 VAL 26 -12.970 -1.946 -7.051 209 2HG2 VAL 26 HG23 VAL 26 -14.629 -2.543 -7.096 210 3HG2 VAL 26 HG22 VAL 26 -13.347 -3.445 -7.907 211 H TYR 27 HN TYR 27 -11.385 -3.065 -8.548 212 HA TYR 27 HA TYR 27 -10.305 -3.989 -11.148 213 1HB TYR 27 HB2 TYR 27 -8.789 -3.321 -9.174 214 2HB TYR 27 HB1 TYR 27 -9.330 -4.802 -8.412 215 HD1 TYR 27 HD1 TYR 27 -7.344 -3.355 -11.121 216 HD2 TYR 27 HD2 TYR 27 -8.648 -6.967 -9.269 217 HE1 TYR 27 HE1 TYR 27 -5.640 -4.613 -12.373 218 HE2 TYR 27 HE2 TYR 27 -6.952 -8.228 -10.520 219 HH TYR 27 HH TYR 27 -5.009 -6.724 -13.034 220 H CYS 28 HN CYS 28 -11.307 -5.721 -11.979 221 HA CYS 28 HA CYS 28 -12.887 -7.488 -10.211 222 1HB CYS 28 HB2 CYS 28 -12.987 -7.154 -13.215 223 2HB CYS 28 HB1 CYS 28 -14.053 -8.166 -12.247 224 HG CYS 28 HG CYS 28 -14.109 -5.204 -11.475 225 H VAL 29 HN VAL 29 -12.573 -9.670 -10.161 226 HA VAL 29 HA VAL 29 -10.435 -10.888 -11.809 227 HB VAL 29 HB VAL 29 -10.722 -11.172 -8.803 228 1HG1 VAL 29 HG12 VAL 29 -8.925 -12.541 -10.797 229 2HG1 VAL 29 HG11 VAL 29 -8.512 -12.429 -9.086 230 3HG1 VAL 29 HG13 VAL 29 -9.978 -13.272 -9.587 231 1HG2 VAL 29 HG23 VAL 29 -8.697 -9.733 -10.513 232 2HG2 VAL 29 HG22 VAL 29 -9.677 -9.086 -9.192 233 3HG2 VAL 29 HG21 VAL 29 -8.368 -10.217 -8.850 234 H ILE 30 HN ILE 30 -11.274 -12.613 -12.812 235 HA ILE 30 HA ILE 30 -13.712 -13.900 -11.803 236 HB ILE 30 HB ILE 30 -12.177 -14.385 -14.364 237 1HG1 ILE 30 HG12 ILE 30 -14.598 -12.647 -13.843 238 2HG1 ILE 30 HG11 ILE 30 -12.989 -12.084 -14.287 239 1HG2 ILE 30 HG21 ILE 30 -14.626 -15.551 -13.190 240 2HG2 ILE 30 HG23 ILE 30 -14.723 -15.120 -14.898 241 3HG2 ILE 30 HG22 ILE 30 -13.477 -16.233 -14.340 242 1HD1 ILE 30 HD12 ILE 30 -13.585 -13.903 -16.288 243 2HD1 ILE 30 HD11 ILE 30 -15.131 -13.107 -15.987 244 3HD1 ILE 30 HD13 ILE 30 -13.713 -12.148 -16.414 245 H ASN 31 HN ASN 31 -13.478 -15.555 -10.419 246 HA ASN 31 HA ASN 31 -11.395 -17.581 -10.908 247 1HB ASN 31 HB2 ASN 31 -10.631 -15.807 -9.208 248 2HB ASN 31 HB1 ASN 31 -11.861 -16.463 -8.134 249 1HD2 ASN 31 HD22 ASN 31 -8.783 -18.186 -7.215 250 2HD2 ASN 31 HD21 ASN 31 -9.494 -16.600 -7.113 251 H ASN 32 HN ASN 32 -12.423 -19.443 -11.073 252 HA ASN 32 HA ASN 32 -13.892 -21.161 -10.825 253 1HB ASN 32 HB2 ASN 32 -12.802 -20.943 -8.489 254 2HB ASN 32 HB1 ASN 32 -14.346 -20.262 -7.979 255 1HD2 ASN 32 HD22 ASN 32 -15.527 -23.495 -7.371 256 2HD2 ASN 32 HD21 ASN 32 -15.301 -21.854 -6.829 257 H GLN 33 HN GLN 33 -15.094 -19.098 -12.092 258 HA GLN 33 HA GLN 33 -17.131 -18.287 -12.750 259 1HB GLN 33 HB2 GLN 33 -18.341 -20.302 -10.846 260 2HB GLN 33 HB1 GLN 33 -19.132 -19.521 -12.212 261 1HG GLN 33 HG2 GLN 33 -17.464 -20.610 -13.728 262 2HG GLN 33 HG1 GLN 33 -16.840 -21.494 -12.337 263 1HE2 GLN 33 HE22 GLN 33 -19.957 -22.978 -14.277 264 2HE2 GLN 33 HE21 GLN 33 -18.852 -21.780 -14.894 265 H GLU 34 HN GLU 34 -15.761 -17.370 -10.168 266 HA GLU 34 HA GLU 34 -18.028 -15.811 -9.081 267 1HB GLU 34 HB2 GLU 34 -16.415 -17.670 -7.704 268 2HB GLU 34 HB1 GLU 34 -15.809 -16.095 -7.218 269 1HG GLU 34 HG2 GLU 34 -17.508 -15.919 -5.775 270 2HG GLU 34 HG1 GLU 34 -18.628 -15.894 -7.131 271 H MET 35 HN MET 35 -17.753 -13.660 -9.341 272 HA MET 35 HA MET 35 -15.129 -12.683 -10.215 273 1HB MET 35 HB2 MET 35 -16.237 -10.756 -11.035 274 2HB MET 35 HB1 MET 35 -17.227 -12.131 -11.500 275 1HG MET 35 HG2 MET 35 -18.690 -11.692 -9.561 276 2HG MET 35 HG1 MET 35 -17.738 -10.267 -9.185 277 1HE MET 35 HE1 MET 35 -17.232 -8.450 -10.945 278 2HE MET 35 HE3 MET 35 -17.380 -9.149 -12.568 279 3HE MET 35 HE2 MET 35 -18.449 -7.848 -12.063 280 H GLY 36 HN GLY 36 -13.851 -11.551 -8.927 281 1HA GLY 36 HA2 GLY 36 -14.796 -10.825 -6.227 282 2HA GLY 36 HA1 GLY 36 -13.134 -11.182 -6.669 283 H PHE 37 HN PHE 37 -14.940 -8.750 -5.680 284 HA PHE 37 HA PHE 37 -13.978 -6.675 -7.533 285 1HB PHE 37 HB2 PHE 37 -15.898 -6.641 -5.200 286 2HB PHE 37 HB1 PHE 37 -15.352 -5.178 -6.013 287 HD1 PHE 37 HD1 PHE 37 -15.912 -4.797 -8.410 288 HD2 PHE 37 HD2 PHE 37 -17.537 -8.069 -6.192 289 HE1 PHE 37 HE1 PHE 37 -17.661 -5.085 -10.123 290 HE2 PHE 37 HE2 PHE 37 -19.284 -8.358 -7.906 291 HZ PHE 37 HZ PHE 37 -19.324 -6.884 -9.896 292 H TYR 38 HN TYR 38 -11.889 -6.292 -7.180 293 HA TYR 38 HA TYR 38 -10.917 -5.822 -4.415 294 1HB TYR 38 HB2 TYR 38 -9.463 -6.620 -6.945 295 2HB TYR 38 HB1 TYR 38 -8.648 -6.149 -5.462 296 HD1 TYR 38 HD1 TYR 38 -8.817 -7.529 -3.448 297 HD2 TYR 38 HD2 TYR 38 -10.508 -8.767 -7.161 298 HE1 TYR 38 HE1 TYR 38 -8.978 -9.834 -2.601 299 HE2 TYR 38 HE2 TYR 38 -10.665 -11.077 -6.319 300 HH TYR 38 HH TYR 38 -10.304 -11.875 -3.050 301 H LYS 39 HN LYS 39 -9.064 -4.186 -4.376 302 HA LYS 39 HA LYS 39 -10.034 -1.684 -5.458 303 1HB LYS 39 HB2 LYS 39 -8.984 -2.149 -3.137 304 2HB LYS 39 HB1 LYS 39 -7.455 -2.047 -3.968 305 1HG LYS 39 HG2 LYS 39 -7.695 0.198 -4.464 306 2HG LYS 39 HG1 LYS 39 -9.447 0.137 -4.360 307 1HD LYS 39 HD2 LYS 39 -9.261 -0.153 -1.902 308 2HD LYS 39 HD1 LYS 39 -7.509 -0.021 -2.046 309 1HE LYS 39 HE2 LYS 39 -8.517 2.213 -3.399 310 2HE LYS 39 HE1 LYS 39 -9.525 2.070 -1.966 311 1HZ LYS 39 HZ1 LYS 39 -6.751 1.697 -1.369 312 2HZ LYS 39 HZ3 LYS 39 -7.039 3.200 -2.109 313 3HZ LYS 39 HZ2 LYS 39 -7.879 2.780 -0.684 314 H ASP 40 HN ASP 40 -7.212 -3.767 -5.913 315 HA ASP 40 HA ASP 40 -6.803 -2.854 -8.608 316 1HB ASP 40 HB2 ASP 40 -4.414 -2.121 -8.241 317 2HB ASP 40 HB1 ASP 40 -5.635 -1.014 -7.627 318 H ALA 41 HN ALA 41 -4.323 -3.755 -9.145 319 HA ALA 41 HA ALA 41 -4.627 -6.570 -9.211 320 1HB ALA 41 HB3 ALA 41 -3.349 -5.102 -10.854 321 2HB ALA 41 HB2 ALA 41 -2.032 -5.104 -9.680 322 3HB ALA 41 HB1 ALA 41 -2.581 -6.623 -10.397 323 H LYS 42 HN LYS 42 -2.865 -4.460 -7.024 324 HA LYS 42 HA LYS 42 -1.292 -6.517 -5.783 325 1HB LYS 42 HB2 LYS 42 -2.054 -3.871 -4.547 326 2HB LYS 42 HB1 LYS 42 -0.616 -4.841 -4.245 327 1HG LYS 42 HG2 LYS 42 -0.436 -4.406 -6.948 328 2HG LYS 42 HG1 LYS 42 -1.185 -2.907 -6.399 329 1HD LYS 42 HD2 LYS 42 0.636 -2.627 -4.747 330 2HD LYS 42 HD1 LYS 42 1.391 -4.101 -5.347 331 1HE LYS 42 HE2 LYS 42 1.070 -1.448 -6.741 332 2HE LYS 42 HE1 LYS 42 2.545 -2.358 -6.440 333 1HZ LYS 42 HZ1 LYS 42 1.566 -4.104 -7.960 334 2HZ LYS 42 HZ3 LYS 42 0.417 -2.935 -8.412 335 3HZ LYS 42 HZ2 LYS 42 2.077 -2.656 -8.698 336 H SER 43 HN SER 43 -4.370 -4.909 -5.044 337 HA SER 43 HA SER 43 -4.899 -6.196 -2.564 338 1HB SER 43 HB2 SER 43 -6.836 -5.110 -4.615 339 2HB SER 43 HB1 SER 43 -7.232 -5.511 -2.945 340 HG SER 43 HG SER 43 -5.085 -3.912 -2.950 341 H ALA 44 HN ALA 44 -5.544 -7.092 -5.909 342 HA ALA 44 HA ALA 44 -7.219 -9.339 -5.416 343 1HB ALA 44 HB2 ALA 44 -5.564 -8.441 -7.768 344 2HB ALA 44 HB1 ALA 44 -6.456 -9.964 -7.793 345 3HB ALA 44 HB3 ALA 44 -7.320 -8.438 -7.585 346 H ALA 45 HN ALA 45 -3.709 -9.028 -5.901 347 HA ALA 45 HA ALA 45 -3.145 -11.831 -5.845 348 1HB ALA 45 HB3 ALA 45 -1.363 -9.417 -5.435 349 2HB ALA 45 HB2 ALA 45 -0.777 -11.078 -5.566 350 3HB ALA 45 HB1 ALA 45 -1.603 -10.324 -6.931 351 H SER 46 HN SER 46 -2.400 -9.279 -3.436 352 HA SER 46 HA SER 46 -1.564 -10.909 -1.373 353 1HB SER 46 HB2 SER 46 -2.956 -8.284 -0.956 354 2HB SER 46 HB1 SER 46 -1.552 -8.946 -0.165 355 HG SER 46 HG SER 46 -1.729 -7.696 -2.656 356 H GLY 47 HN GLY 47 -4.831 -9.875 -2.262 357 1HA GLY 47 HA2 GLY 47 -6.815 -11.011 -1.701 358 2HA GLY 47 HA1 GLY 47 -5.973 -11.820 -0.382 359 H ILE 48 HN ILE 48 -6.263 -8.380 -1.208 360 HA ILE 48 HA ILE 48 -7.253 -7.802 1.514 361 HB ILE 48 HB ILE 48 -5.952 -6.017 -0.559 362 1HG1 ILE 48 HG12 ILE 48 -4.875 -6.765 2.160 363 2HG1 ILE 48 HG11 ILE 48 -4.554 -7.750 0.738 364 1HG2 ILE 48 HG22 ILE 48 -7.190 -5.413 2.111 365 2HG2 ILE 48 HG21 ILE 48 -5.846 -4.446 1.509 366 3HG2 ILE 48 HG23 ILE 48 -7.344 -4.539 0.584 367 1HD1 ILE 48 HD11 ILE 48 -3.827 -5.395 -0.276 368 2HD1 ILE 48 HD13 ILE 48 -3.553 -5.029 1.430 369 3HD1 ILE 48 HD12 ILE 48 -2.713 -6.385 0.668 370 HA PRO 49 HA PRO 49 -11.191 -7.240 -0.549 371 1HB PRO 49 HB2 PRO 49 -12.626 -6.430 1.614 372 2HB PRO 49 HB1 PRO 49 -12.199 -8.114 1.284 373 1HG PRO 49 HG2 PRO 49 -10.943 -6.180 3.177 374 2HG PRO 49 HG1 PRO 49 -11.257 -7.912 3.375 375 1HD PRO 49 HD2 PRO 49 -8.803 -6.884 2.751 376 2HD PRO 49 HD1 PRO 49 -9.325 -8.515 2.291 377 H TYR 50 HN TYR 50 -12.367 -5.610 -1.413 378 HA TYR 50 HA TYR 50 -11.387 -2.857 -1.110 379 1HB TYR 50 HB2 TYR 50 -11.574 -3.831 -3.346 380 2HB TYR 50 HB1 TYR 50 -13.277 -4.158 -3.089 381 HD1 TYR 50 HD1 TYR 50 -10.840 -1.341 -3.148 382 HD2 TYR 50 HD2 TYR 50 -14.865 -2.613 -3.829 383 HE1 TYR 50 HE1 TYR 50 -11.384 0.876 -4.064 384 HE2 TYR 50 HE2 TYR 50 -15.397 -0.386 -4.758 385 HH TYR 50 HH TYR 50 -12.914 2.016 -5.356 386 H HIS 51 HN HIS 51 -14.268 -4.815 -0.669 387 HA HIS 51 HA HIS 51 -15.464 -2.863 1.124 388 1HB HIS 51 HB2 HIS 51 -16.475 -3.385 -1.610 389 2HB HIS 51 HB1 HIS 51 -17.694 -3.565 -0.358 390 HD1 HIS 51 HD1 HIS 51 -18.229 -1.452 1.067 391 HD2 HIS 51 HD2 HIS 51 -15.732 -0.737 -2.151 392 HE1 HIS 51 HE1 HIS 51 -18.221 1.041 0.789 393 H SER 52 HN SER 52 -17.797 -4.028 1.736 394 HA SER 52 HA SER 52 -17.086 -6.335 3.206 395 1HB SER 52 HB2 SER 52 -19.881 -5.440 2.467 396 2HB SER 52 HB1 SER 52 -19.416 -6.450 3.834 397 HG SER 52 HG SER 52 -18.131 -4.602 4.563 398 H GLU 53 HN GLU 53 -19.270 -6.073 0.380 399 HA GLU 53 HA GLU 53 -19.265 -8.964 -0.013 400 1HB GLU 53 HB2 GLU 53 -20.649 -6.645 -1.360 401 2HB GLU 53 HB1 GLU 53 -20.652 -8.251 -2.080 402 1HG GLU 53 HG2 GLU 53 -22.652 -8.138 -0.825 403 2HG GLU 53 HG1 GLU 53 -21.546 -9.102 0.148 404 H VAL 54 HN VAL 54 -17.243 -9.581 -0.652 405 HA VAL 54 HA VAL 54 -15.898 -8.137 -2.821 406 HB VAL 54 HB VAL 54 -14.511 -10.496 -1.782 407 1HG1 VAL 54 HG13 VAL 54 -13.823 -7.568 -1.997 408 2HG1 VAL 54 HG12 VAL 54 -12.694 -8.845 -1.541 409 3HG1 VAL 54 HG11 VAL 54 -13.417 -8.840 -3.151 410 1HG2 VAL 54 HG22 VAL 54 -15.241 -8.280 0.143 411 2HG2 VAL 54 HG21 VAL 54 -15.613 -9.996 0.310 412 3HG2 VAL 54 HG23 VAL 54 -13.942 -9.440 0.407 413 HA PRO 55 HA PRO 55 -16.365 -12.353 -4.935 414 1HB PRO 55 HB2 PRO 55 -17.278 -14.522 -3.592 415 2HB PRO 55 HB1 PRO 55 -15.597 -13.980 -3.542 416 1HG PRO 55 HG2 PRO 55 -17.639 -13.866 -1.454 417 2HG PRO 55 HG1 PRO 55 -15.882 -13.727 -1.315 418 1HD PRO 55 HD2 PRO 55 -17.868 -11.622 -1.342 419 2HD PRO 55 HD1 PRO 55 -16.124 -11.500 -1.062 420 H VAL 56 HN VAL 56 -17.941 -12.318 -6.415 421 HA VAL 56 HA VAL 56 -20.773 -12.617 -5.570 422 HB VAL 56 HB VAL 56 -19.621 -10.847 -7.735 423 1HG1 VAL 56 HG13 VAL 56 -22.417 -11.724 -7.159 424 2HG1 VAL 56 HG12 VAL 56 -22.133 -10.091 -7.765 425 3HG1 VAL 56 HG11 VAL 56 -21.609 -11.488 -8.707 426 1HG2 VAL 56 HG22 VAL 56 -20.915 -10.281 -5.075 427 2HG2 VAL 56 HG21 VAL 56 -19.339 -9.748 -5.662 428 3HG2 VAL 56 HG23 VAL 56 -20.817 -9.068 -6.351 429 H SER 57 HN SER 57 -21.886 -14.203 -6.609 430 HA SER 57 HA SER 57 -20.577 -16.132 -8.198 431 1HB SER 57 HB2 SER 57 -23.120 -16.806 -8.509 432 2HB SER 57 HB1 SER 57 -22.295 -17.030 -6.974 433 HG SER 57 HG SER 57 -23.983 -15.913 -6.286 434 H LEU 58 HN LEU 58 -20.305 -16.270 -10.329 435 HA LEU 58 HA LEU 58 -21.858 -14.495 -12.131 436 1HB LEU 58 HB2 LEU 58 -19.306 -14.071 -11.676 437 2HB LEU 58 HB1 LEU 58 -19.076 -15.421 -12.779 438 HG LEU 58 HG LEU 58 -20.512 -14.189 -14.440 439 1HD1 LEU 58 HD13 LEU 58 -20.731 -12.366 -12.180 440 2HD1 LEU 58 HD12 LEU 58 -20.227 -11.546 -13.657 441 3HD1 LEU 58 HD11 LEU 58 -21.722 -12.484 -13.632 442 1HD2 LEU 58 HD21 LEU 58 -17.800 -13.867 -13.776 443 2HD2 LEU 58 HD23 LEU 58 -18.573 -13.546 -15.326 444 3HD2 LEU 58 HD22 LEU 58 -18.404 -12.250 -14.142 445 H LYS 59 HN LYS 59 -22.878 -16.965 -11.521 446 HA LYS 59 HA LYS 59 -22.150 -18.751 -13.762 447 1HB LYS 59 HB2 LYS 59 -22.567 -19.382 -11.158 448 2HB LYS 59 HB1 LYS 59 -24.202 -19.579 -11.775 449 1HG LYS 59 HG2 LYS 59 -22.693 -20.853 -13.702 450 2HG LYS 59 HG1 LYS 59 -21.810 -21.228 -12.227 451 1HD LYS 59 HD2 LYS 59 -24.725 -21.797 -12.795 452 2HD LYS 59 HD1 LYS 59 -23.425 -22.975 -12.635 453 1HE LYS 59 HE2 LYS 59 -24.549 -21.193 -10.457 454 2HE LYS 59 HE1 LYS 59 -24.742 -22.932 -10.598 455 1HZ LYS 59 HZ3 LYS 59 -22.154 -21.541 -10.181 456 2HZ LYS 59 HZ2 LYS 59 -23.057 -22.319 -8.971 457 3HZ LYS 59 HZ1 LYS 59 -22.389 -23.229 -10.250 458 H GLU 60 HN GLU 60 -23.287 -18.482 -15.570 459 HA GLU 60 HA GLU 60 -24.999 -18.129 -17.049 460 1HB GLU 60 HB2 GLU 60 -26.935 -18.445 -14.744 461 2HB GLU 60 HB1 GLU 60 -27.243 -18.695 -16.458 462 1HG GLU 60 HG2 GLU 60 -25.603 -20.584 -16.431 463 2HG GLU 60 HG1 GLU 60 -25.458 -20.382 -14.686 464 H ALA 61 HN ALA 61 -23.749 -15.893 -16.127 465 HA ALA 61 HA ALA 61 -25.711 -13.892 -15.304 466 1HB ALA 61 HB3 ALA 61 -23.330 -13.931 -14.489 467 2HB ALA 61 HB2 ALA 61 -22.822 -13.479 -16.119 468 3HB ALA 61 HB1 ALA 61 -23.846 -12.392 -15.177 469 H ILE 62 HN ILE 62 -26.900 -12.771 -16.699 470 HA ILE 62 HA ILE 62 -26.533 -12.953 -19.556 471 HB ILE 62 HB ILE 62 -28.448 -11.388 -17.813 472 1HG1 ILE 62 HG12 ILE 62 -28.699 -13.857 -17.830 473 2HG1 ILE 62 HG11 ILE 62 -30.094 -13.013 -18.497 474 1HG2 ILE 62 HG23 ILE 62 -28.148 -11.452 -20.790 475 2HG2 ILE 62 HG22 ILE 62 -29.738 -11.231 -20.059 476 3HG2 ILE 62 HG21 ILE 62 -28.439 -10.078 -19.725 477 1HD1 ILE 62 HD11 ILE 62 -28.823 -13.394 -20.790 478 2HD1 ILE 62 HD13 ILE 62 -28.034 -14.691 -19.889 479 3HD1 ILE 62 HD12 ILE 62 -29.791 -14.683 -20.076 480 H CYS 63 HN CYS 63 -25.756 -11.360 -20.936 481 HA CYS 63 HA CYS 63 -24.767 -8.846 -19.723 482 1HB CYS 63 HB2 CYS 63 -23.034 -10.786 -20.088 483 2HB CYS 63 HB1 CYS 63 -23.108 -10.274 -21.764 484 HG CYS 63 HG CYS 63 -21.457 -8.951 -19.742 485 H GLU 64 HN GLU 64 -25.272 -7.104 -20.838 486 HA GLU 64 HA GLU 64 -26.143 -7.343 -23.669 487 1HB GLU 64 HB2 GLU 64 -27.128 -5.373 -21.591 488 2HB GLU 64 HB1 GLU 64 -27.687 -5.511 -23.257 489 1HG GLU 64 HG2 GLU 64 -28.434 -7.848 -22.741 490 2HG GLU 64 HG1 GLU 64 -28.013 -7.565 -21.051 491 H VAL 65 HN VAL 65 -24.935 -6.227 -25.077 492 HA VAL 65 HA VAL 65 -22.806 -4.479 -24.139 493 HB VAL 65 HB VAL 65 -23.643 -5.227 -26.951 494 1HG1 VAL 65 HG12 VAL 65 -21.274 -3.723 -25.871 495 2HG1 VAL 65 HG11 VAL 65 -21.176 -4.611 -27.392 496 3HG1 VAL 65 HG13 VAL 65 -22.342 -3.298 -27.214 497 1HG2 VAL 65 HG23 VAL 65 -22.530 -6.869 -25.010 498 2HG2 VAL 65 HG22 VAL 65 -22.537 -7.155 -26.749 499 3HG2 VAL 65 HG21 VAL 65 -21.154 -6.364 -25.993 500 H ALA 66 HN ALA 66 -22.897 -2.347 -23.980 501 HA ALA 66 HA ALA 66 -25.130 -0.826 -25.197 502 1HB ALA 66 HB3 ALA 66 -24.511 -0.851 -22.603 503 2HB ALA 66 HB2 ALA 66 -23.342 0.365 -23.117 504 3HB ALA 66 HB1 ALA 66 -25.062 0.617 -23.410 505 H LEU 67 HN LEU 67 -24.514 0.003 -27.113 506 HA LEU 67 HA LEU 67 -21.837 0.362 -27.962 507 1HB LEU 67 HB2 LEU 67 -24.314 0.377 -29.184 508 2HB LEU 67 HB1 LEU 67 -23.819 2.057 -29.332 509 HG LEU 67 HG LEU 67 -23.099 0.840 -31.272 510 1HD1 LEU 67 HD21 LEU 67 -21.556 2.553 -30.104 511 2HD1 LEU 67 HD23 LEU 67 -20.574 1.148 -29.691 512 3HD1 LEU 67 HD22 LEU 67 -20.884 1.541 -31.383 513 1HD2 LEU 67 HD11 LEU 67 -22.941 -1.363 -29.779 514 2HD2 LEU 67 HD13 LEU 67 -22.071 -1.193 -31.303 515 3HD2 LEU 67 HD12 LEU 67 -21.238 -0.915 -29.774 516 H ASP 68 HN ASP 68 -24.240 2.947 -27.467 517 HA ASP 68 HA ASP 68 -22.109 4.685 -26.361 518 1HB ASP 68 HB2 ASP 68 -22.822 5.276 -28.740 519 2HB ASP 68 HB1 ASP 68 -24.408 5.667 -28.083 520 H TYR 69 HN TYR 69 -22.800 3.985 -24.299 521 HA TYR 69 HA TYR 69 -25.525 4.422 -23.412 522 1HB TYR 69 HB2 TYR 69 -24.214 2.569 -22.486 523 2HB TYR 69 HB1 TYR 69 -23.022 3.705 -21.857 524 HD1 TYR 69 HD1 TYR 69 -26.739 3.200 -21.722 525 HD2 TYR 69 HD2 TYR 69 -23.158 4.161 -19.602 526 HE1 TYR 69 HE1 TYR 69 -28.018 3.363 -19.628 527 HE2 TYR 69 HE2 TYR 69 -24.446 4.325 -17.507 528 HH TYR 69 HH TYR 69 -26.630 4.600 -16.691 529 H LYS 70 HN LYS 70 -24.572 6.735 -24.500 530 HA LYS 70 HA LYS 70 -24.410 8.982 -24.191 531 1HB LYS 70 HB2 LYS 70 -25.462 8.343 -21.422 532 2HB LYS 70 HB1 LYS 70 -25.405 9.943 -22.152 533 1HG LYS 70 HG2 LYS 70 -27.202 9.570 -23.461 534 2HG LYS 70 HG1 LYS 70 -26.757 7.901 -23.790 535 1HD LYS 70 HD2 LYS 70 -27.678 7.152 -21.704 536 2HD LYS 70 HD1 LYS 70 -27.845 8.811 -21.133 537 1HE LYS 70 HE2 LYS 70 -29.995 7.732 -21.883 538 2HE LYS 70 HE1 LYS 70 -29.621 9.266 -22.664 539 1HZ LYS 70 HZ2 LYS 70 -28.651 6.847 -23.978 540 2HZ LYS 70 HZ1 LYS 70 -30.337 7.113 -24.016 541 3HZ LYS 70 HZ3 LYS 70 -29.270 8.280 -24.659 542 H LYS 71 HN LYS 71 -22.044 7.459 -23.776 543 HA LYS 71 HA LYS 71 -20.497 9.403 -22.221 544 1HB LYS 71 HB2 LYS 71 -20.387 6.415 -21.661 545 2HB LYS 71 HB1 LYS 71 -19.249 7.607 -21.029 546 1HG LYS 71 HG2 LYS 71 -21.345 8.795 -20.090 547 2HG LYS 71 HG1 LYS 71 -22.154 7.256 -20.361 548 1HD LYS 71 HD2 LYS 71 -20.815 6.127 -18.803 549 2HD LYS 71 HD1 LYS 71 -19.558 7.359 -18.846 550 1HE LYS 71 HE2 LYS 71 -22.329 7.868 -17.744 551 2HE LYS 71 HE1 LYS 71 -20.977 7.336 -16.753 552 1HZ LYS 71 HZ3 LYS 71 -20.434 9.638 -18.428 553 2HZ LYS 71 HZ2 LYS 71 -21.584 9.892 -17.196 554 3HZ LYS 71 HZ1 LYS 71 -20.022 9.340 -16.799 555 H LYS 72 HN LYS 72 -18.537 6.821 -22.589 556 HA LYS 72 HA LYS 72 -18.006 6.942 -25.425 557 1HB LYS 72 HB2 LYS 72 -16.651 8.776 -23.670 558 2HB LYS 72 HB1 LYS 72 -15.481 7.595 -24.245 559 1HG LYS 72 HG2 LYS 72 -15.539 8.394 -26.359 560 2HG LYS 72 HG1 LYS 72 -17.282 8.609 -26.348 561 1HD LYS 72 HD2 LYS 72 -15.450 10.479 -24.852 562 2HD LYS 72 HD1 LYS 72 -15.811 10.713 -26.561 563 1HE LYS 72 HE2 LYS 72 -17.860 10.596 -24.326 564 2HE LYS 72 HE1 LYS 72 -17.294 12.054 -25.127 565 1HZ LYS 72 HZ2 LYS 72 -18.162 11.173 -27.234 566 2HZ LYS 72 HZ1 LYS 72 -18.811 9.841 -26.381 567 3HZ LYS 72 HZ3 LYS 72 -19.375 11.402 -26.051 568 H LYS 73 HN LYS 73 -16.823 5.202 -26.108 569 HA LYS 73 HA LYS 73 -15.744 3.210 -26.099 570 1HB LYS 73 HB2 LYS 73 -15.317 3.420 -23.115 571 2HB LYS 73 HB1 LYS 73 -14.475 2.389 -24.259 572 1HG LYS 73 HG2 LYS 73 -14.236 5.382 -23.935 573 2HG LYS 73 HG1 LYS 73 -12.980 4.163 -23.772 574 1HD LYS 73 HD2 LYS 73 -14.390 4.743 -26.388 575 2HD LYS 73 HD1 LYS 73 -12.900 5.532 -25.902 576 1HE LYS 73 HE2 LYS 73 -13.054 2.531 -25.911 577 2HE LYS 73 HE1 LYS 73 -12.809 3.398 -27.421 578 1HZ LYS 73 HZ2 LYS 73 -11.054 4.428 -25.480 579 2HZ LYS 73 HZ1 LYS 73 -10.911 2.734 -25.508 580 3HZ LYS 73 HZ3 LYS 73 -10.685 3.625 -26.942 581 H HIS 74 HN HIS 74 -16.319 1.090 -25.823 582 HA HIS 74 HA HIS 74 -19.049 0.584 -25.480 583 1HB HIS 74 HB2 HIS 74 -16.658 -1.244 -25.631 584 2HB HIS 74 HB1 HIS 74 -18.287 -1.874 -25.426 585 HD1 HIS 74 HD1 HIS 74 -16.093 -0.189 -27.916 586 HD2 HIS 74 HD2 HIS 74 -19.931 -1.738 -27.720 587 HE1 HIS 74 HE1 HIS 74 -16.891 -0.272 -30.297 588 H VAL 75 HN VAL 75 -20.292 0.195 -23.836 589 HA VAL 75 HA VAL 75 -19.198 -0.598 -21.198 590 HB VAL 75 HB VAL 75 -21.593 1.127 -21.894 591 1HG1 VAL 75 HG11 VAL 75 -20.728 -0.016 -19.247 592 2HG1 VAL 75 HG13 VAL 75 -21.724 1.431 -19.364 593 3HG1 VAL 75 HG12 VAL 75 -22.313 -0.097 -20.017 594 1HG2 VAL 75 HG23 VAL 75 -18.857 1.759 -21.308 595 2HG2 VAL 75 HG22 VAL 75 -20.183 2.830 -21.765 596 3HG2 VAL 75 HG21 VAL 75 -19.915 2.434 -20.064 597 H PHE 76 HN PHE 76 -20.184 -2.419 -20.279 598 HA PHE 76 HA PHE 76 -22.468 -3.570 -21.785 599 1HB PHE 76 HB2 PHE 76 -21.630 -5.811 -21.289 600 2HB PHE 76 HB1 PHE 76 -20.503 -4.888 -22.264 601 HD1 PHE 76 HD1 PHE 76 -18.359 -4.169 -21.375 602 HD2 PHE 76 HD2 PHE 76 -21.089 -6.448 -19.011 603 HE1 PHE 76 HE1 PHE 76 -16.545 -4.702 -19.789 604 HE2 PHE 76 HE2 PHE 76 -19.278 -6.979 -17.427 605 HZ PHE 76 HZ PHE 76 -17.004 -6.106 -17.816 606 H LYS 77 HN LYS 77 -24.117 -4.389 -20.670 607 HA LYS 77 HA LYS 77 -24.234 -3.726 -17.802 608 1HB LYS 77 HB2 LYS 77 -26.637 -4.631 -19.304 609 2HB LYS 77 HB1 LYS 77 -26.488 -3.407 -18.055 610 1HG LYS 77 HG2 LYS 77 -25.152 -2.086 -19.891 611 2HG LYS 77 HG1 LYS 77 -25.971 -3.178 -21.005 612 1HD LYS 77 HD2 LYS 77 -27.371 -1.436 -18.962 613 2HD LYS 77 HD1 LYS 77 -27.163 -1.011 -20.657 614 1HE LYS 77 HE2 LYS 77 -28.323 -3.290 -21.129 615 2HE LYS 77 HE1 LYS 77 -28.846 -3.196 -19.450 616 1HZ LYS 77 HZ3 LYS 77 -29.488 -0.764 -20.304 617 2HZ LYS 77 HZ2 LYS 77 -29.678 -1.640 -21.754 618 3HZ LYS 77 HZ1 LYS 77 -30.553 -2.089 -20.359 619 H LEU 78 HN LEU 78 -23.841 -5.301 -16.456 620 HA LEU 78 HA LEU 78 -24.174 -8.105 -17.222 621 1HB LEU 78 HB2 LEU 78 -22.340 -6.625 -15.564 622 2HB LEU 78 HB1 LEU 78 -23.109 -7.871 -14.599 623 HG LEU 78 HG LEU 78 -21.615 -8.221 -17.184 624 1HD1 LEU 78 HD23 LEU 78 -21.018 -8.778 -14.305 625 2HD1 LEU 78 HD22 LEU 78 -20.322 -9.823 -15.540 626 3HD1 LEU 78 HD21 LEU 78 -19.982 -8.091 -15.557 627 1HD2 LEU 78 HD11 LEU 78 -23.646 -9.908 -15.970 628 2HD2 LEU 78 HD13 LEU 78 -22.858 -10.047 -17.544 629 3HD2 LEU 78 HD12 LEU 78 -22.106 -10.748 -16.109 630 H ARG 79 HN ARG 79 -25.996 -9.079 -16.734 631 HA ARG 79 HA ARG 79 -27.584 -8.184 -14.398 632 1HB ARG 79 HB2 ARG 79 -28.390 -9.482 -17.003 633 2HB ARG 79 HB1 ARG 79 -29.464 -9.378 -15.613 634 1HG ARG 79 HG2 ARG 79 -28.899 -6.849 -15.660 635 2HG ARG 79 HG1 ARG 79 -28.340 -7.160 -17.301 636 1HD ARG 79 HD2 ARG 79 -30.452 -7.476 -18.110 637 2HD ARG 79 HD1 ARG 79 -31.026 -8.240 -16.625 638 HE ARG 79 HE ARG 79 -30.494 -5.372 -16.410 639 1HH1 ARG 79 HH21 ARG 79 -32.371 -5.618 -14.540 640 2HH1 ARG 79 HH22 ARG 79 -33.943 -5.603 -15.278 641 1HH2 ARG 79 HH11 ARG 79 -32.746 -6.373 -18.498 642 2HH2 ARG 79 HH12 ARG 79 -34.164 -6.055 -17.524 643 H LEU 80 HN LEU 80 -26.744 -9.391 -12.807 644 HA LEU 80 HA LEU 80 -25.899 -12.071 -12.988 645 1HB LEU 80 HB2 LEU 80 -26.623 -10.315 -10.644 646 2HB LEU 80 HB1 LEU 80 -25.960 -11.938 -10.474 647 HG LEU 80 HG LEU 80 -24.150 -11.051 -12.124 648 1HD1 LEU 80 HD22 LEU 80 -25.337 -8.540 -11.051 649 2HD1 LEU 80 HD21 LEU 80 -23.644 -8.634 -11.532 650 3HD1 LEU 80 HD23 LEU 80 -24.906 -8.960 -12.710 651 1HD2 LEU 80 HD11 LEU 80 -24.319 -10.501 -9.181 652 2HD2 LEU 80 HD13 LEU 80 -23.451 -11.786 -10.015 653 3HD2 LEU 80 HD12 LEU 80 -22.865 -10.124 -10.110 654 H SER 81 HN SER 81 -26.799 -13.932 -12.319 655 HA SER 81 HA SER 81 -29.562 -14.352 -12.791 656 1HB SER 81 HB2 SER 81 -28.944 -16.688 -11.769 657 2HB SER 81 HB1 SER 81 -28.277 -16.201 -13.326 658 HG SER 81 HG SER 81 -26.817 -15.488 -11.040 659 H ASP 82 HN ASP 82 -27.722 -13.866 -9.846 660 HA ASP 82 HA ASP 82 -29.550 -14.867 -7.941 661 1HB ASP 82 HB2 ASP 82 -27.298 -12.886 -7.881 662 2HB ASP 82 HB1 ASP 82 -28.388 -12.952 -6.501 663 H GLY 83 HN GLY 83 -28.941 -11.421 -8.541 664 1HA GLY 83 HA2 GLY 83 -31.386 -10.449 -9.253 665 2HA GLY 83 HA1 GLY 83 -31.515 -10.623 -7.501 666 H ASN 84 HN ASN 84 -29.000 -9.578 -9.801 667 HA ASN 84 HA ASN 84 -28.839 -6.914 -8.611 668 1HB ASN 84 HB2 ASN 84 -26.874 -9.076 -8.135 669 2HB ASN 84 HB1 ASN 84 -26.157 -7.607 -8.784 670 1HD2 ASN 84 HD22 ASN 84 -27.643 -7.678 -4.993 671 2HD2 ASN 84 HD21 ASN 84 -27.933 -8.983 -6.100 672 H GLU 85 HN GLU 85 -27.764 -5.434 -10.044 673 HA GLU 85 HA GLU 85 -26.830 -6.445 -12.615 674 1HB GLU 85 HB2 GLU 85 -28.782 -6.034 -13.705 675 2HB GLU 85 HB1 GLU 85 -29.505 -5.446 -12.218 676 1HG GLU 85 HG2 GLU 85 -28.675 -3.201 -12.658 677 2HG GLU 85 HG1 GLU 85 -27.859 -3.768 -14.119 678 H TYR 86 HN TYR 86 -25.161 -5.286 -13.335 679 HA TYR 86 HA TYR 86 -24.735 -2.519 -12.369 680 1HB TYR 86 HB2 TYR 86 -22.397 -4.389 -12.568 681 2HB TYR 86 HB1 TYR 86 -22.560 -2.906 -11.649 682 HD1 TYR 86 HD1 TYR 86 -23.859 -2.912 -9.516 683 HD2 TYR 86 HD2 TYR 86 -22.913 -6.503 -11.618 684 HE1 TYR 86 HE1 TYR 86 -24.269 -4.217 -7.469 685 HE2 TYR 86 HE2 TYR 86 -23.339 -7.808 -9.572 686 HH TYR 86 HH TYR 86 -24.889 -6.520 -6.856 687 H LEU 87 HN LEU 87 -23.455 -1.225 -13.734 688 HA LEU 87 HA LEU 87 -23.189 -2.198 -16.521 689 1HB LEU 87 HB2 LEU 87 -23.018 0.661 -15.529 690 2HB LEU 87 HB1 LEU 87 -23.112 0.119 -17.200 691 HG LEU 87 HG LEU 87 -25.250 0.099 -15.097 692 1HD1 LEU 87 HD13 LEU 87 -24.933 2.115 -16.487 693 2HD1 LEU 87 HD12 LEU 87 -25.213 1.142 -17.935 694 3HD1 LEU 87 HD11 LEU 87 -26.504 1.356 -16.748 695 1HD2 LEU 87 HD23 LEU 87 -25.086 -1.547 -17.602 696 2HD2 LEU 87 HD22 LEU 87 -25.581 -2.039 -15.983 697 3HD2 LEU 87 HD21 LEU 87 -26.642 -1.026 -16.957 698 H PHE 88 HN PHE 88 -21.196 -2.404 -17.408 699 HA PHE 88 HA PHE 88 -18.856 -1.518 -15.816 700 1HB PHE 88 HB2 PHE 88 -19.360 -4.052 -17.346 701 2HB PHE 88 HB1 PHE 88 -17.722 -3.504 -17.010 702 HD1 PHE 88 HD1 PHE 88 -17.019 -3.163 -14.597 703 HD2 PHE 88 HD2 PHE 88 -20.626 -5.151 -15.711 704 HE1 PHE 88 HE1 PHE 88 -17.150 -4.186 -12.359 705 HE2 PHE 88 HE2 PHE 88 -20.761 -6.175 -13.483 706 HZ PHE 88 HZ PHE 88 -18.976 -5.665 -11.789 707 H GLN 89 HN GLN 89 -17.836 0.058 -16.771 708 HA GLN 89 HA GLN 89 -17.909 0.382 -19.699 709 1HB GLN 89 HB2 GLN 89 -18.479 2.314 -18.205 710 2HB GLN 89 HB1 GLN 89 -16.845 2.270 -17.589 711 1HG GLN 89 HG2 GLN 89 -16.782 2.310 -20.478 712 2HG GLN 89 HG1 GLN 89 -17.786 3.631 -19.887 713 1HE2 GLN 89 HE22 GLN 89 -13.807 3.943 -19.660 714 2HE2 GLN 89 HE21 GLN 89 -14.654 2.745 -20.590 715 H ALA 90 HN ALA 90 -16.248 -0.416 -20.849 716 HA ALA 90 HA ALA 90 -13.684 -0.990 -19.517 717 1HB ALA 90 HB3 ALA 90 -14.673 -1.685 -22.293 718 2HB ALA 90 HB2 ALA 90 -13.141 -2.202 -21.583 719 3HB ALA 90 HB1 ALA 90 -14.663 -2.767 -20.895 720 H LYS 91 HN LYS 91 -11.682 -0.279 -20.487 721 HA LYS 91 HA LYS 91 -11.878 2.441 -21.557 722 1HB LYS 91 HB2 LYS 91 -9.277 2.215 -21.400 723 2HB LYS 91 HB1 LYS 91 -10.230 2.417 -19.938 724 1HG LYS 91 HG2 LYS 91 -9.664 -0.371 -20.867 725 2HG LYS 91 HG1 LYS 91 -8.348 0.550 -20.153 726 1HD LYS 91 HD2 LYS 91 -10.232 1.061 -18.308 727 2HD LYS 91 HD1 LYS 91 -10.838 -0.491 -18.884 728 1HE LYS 91 HE2 LYS 91 -8.026 0.043 -17.897 729 2HE LYS 91 HE1 LYS 91 -9.305 -0.722 -16.961 730 1HZ LYS 91 HZ1 LYS 91 -9.405 -2.476 -18.675 731 2HZ LYS 91 HZ3 LYS 91 -8.063 -1.762 -19.443 732 3HZ LYS 91 HZ2 LYS 91 -7.896 -2.394 -17.873 733 H ASP 92 HN ASP 92 -10.796 -0.761 -22.533 734 HA ASP 92 HA ASP 92 -10.280 0.245 -25.277 735 1HB ASP 92 HB2 ASP 92 -8.505 -1.116 -23.842 736 2HB ASP 92 HB1 ASP 92 -9.448 -2.494 -24.395 737 H ASP 93 HN ASP 93 -11.382 -0.639 -26.977 738 HA ASP 93 HA ASP 93 -13.920 -1.873 -26.514 739 1HB ASP 93 HB2 ASP 93 -12.296 -1.474 -29.042 740 2HB ASP 93 HB1 ASP 93 -13.912 -2.177 -29.035 741 H GLU 94 HN GLU 94 -10.713 -3.072 -27.282 742 HA GLU 94 HA GLU 94 -11.434 -5.758 -27.973 743 1HB GLU 94 HB2 GLU 94 -8.866 -4.477 -27.025 744 2HB GLU 94 HB1 GLU 94 -8.986 -6.202 -27.365 745 1HG GLU 94 HG2 GLU 94 -9.989 -4.334 -29.463 746 2HG GLU 94 HG1 GLU 94 -8.244 -4.409 -29.223 747 H GLU 95 HN GLU 95 -10.619 -4.089 -24.993 748 HA GLU 95 HA GLU 95 -10.428 -6.296 -23.234 749 1HB GLU 95 HB2 GLU 95 -9.792 -3.804 -22.885 750 2HB GLU 95 HB1 GLU 95 -11.477 -3.599 -22.416 751 1HG GLU 95 HG2 GLU 95 -10.989 -5.625 -20.835 752 2HG GLU 95 HG1 GLU 95 -9.306 -5.171 -21.075 753 H MET 96 HN MET 96 -13.142 -4.208 -24.168 754 HA MET 96 HA MET 96 -15.150 -5.232 -22.494 755 1HB MET 96 HB2 MET 96 -15.459 -3.197 -23.778 756 2HB MET 96 HB1 MET 96 -15.336 -4.087 -25.287 757 1HG MET 96 HG2 MET 96 -17.425 -4.974 -23.368 758 2HG MET 96 HG1 MET 96 -17.684 -3.423 -24.144 759 1HE MET 96 HE2 MET 96 -16.707 -3.334 -26.679 760 2HE MET 96 HE1 MET 96 -16.211 -4.841 -27.442 761 3HE MET 96 HE3 MET 96 -17.779 -4.123 -27.831 762 H ASN 97 HN ASN 97 -14.209 -6.209 -25.789 763 HA ASN 97 HA ASN 97 -16.095 -8.273 -26.153 764 1HB ASN 97 HB2 ASN 97 -14.589 -7.235 -27.910 765 2HB ASN 97 HB1 ASN 97 -13.278 -8.226 -27.276 766 1HD2 ASN 97 HD22 ASN 97 -16.358 -9.975 -29.359 767 2HD2 ASN 97 HD21 ASN 97 -16.565 -8.419 -28.621 768 H THR 98 HN THR 98 -12.813 -8.355 -24.750 769 HA THR 98 HA THR 98 -12.677 -11.159 -24.307 770 HB THR 98 HB THR 98 -11.271 -9.055 -22.662 771 HG1 THR 98 HG1 THR 98 -9.932 -8.670 -24.286 772 1HG2 THR 98 HG22 THR 98 -11.113 -11.612 -22.206 773 2HG2 THR 98 HG21 THR 98 -10.100 -11.637 -23.645 774 3HG2 THR 98 HG23 THR 98 -9.633 -10.655 -22.253 775 H TRP 99 HN TRP 99 -13.645 -8.460 -22.175 776 HA TRP 99 HA TRP 99 -14.092 -9.918 -19.811 777 1HB TRP 99 HB2 TRP 99 -15.138 -7.318 -20.896 778 2HB TRP 99 HB1 TRP 99 -15.852 -7.980 -19.434 779 HD1 TRP 99 HD1 TRP 99 -13.293 -5.591 -20.361 780 HE1 TRP 99 HE1 TRP 99 -11.588 -5.270 -18.485 781 HE3 TRP 99 HE3 TRP 99 -14.380 -9.682 -17.472 782 HZ2 TRP 99 HZ2 TRP 99 -10.787 -6.541 -16.119 783 HZ3 TRP 99 HZ3 TRP 99 -13.097 -10.066 -15.406 784 HH2 TRP 99 HH2 TRP 99 -11.316 -8.512 -14.733 785 H ILE 100 HN ILE 100 -16.449 -8.984 -22.334 786 HA ILE 100 HA ILE 100 -18.680 -10.297 -21.208 787 HB ILE 100 HB ILE 100 -18.051 -9.540 -24.060 788 1HG1 ILE 100 HG12 ILE 100 -19.796 -8.219 -21.972 789 2HG1 ILE 100 HG11 ILE 100 -18.180 -7.687 -22.416 790 1HG2 ILE 100 HG22 ILE 100 -20.516 -10.733 -22.843 791 2HG2 ILE 100 HG21 ILE 100 -20.659 -9.601 -24.186 792 3HG2 ILE 100 HG23 ILE 100 -19.744 -11.095 -24.388 793 1HD1 ILE 100 HD13 ILE 100 -19.109 -7.550 -24.826 794 2HD1 ILE 100 HD12 ILE 100 -20.697 -7.615 -24.053 795 3HD1 ILE 100 HD11 ILE 100 -19.587 -6.297 -23.677 796 H GLN 101 HN GLN 101 -16.215 -11.447 -23.507 797 HA GLN 101 HA GLN 101 -17.437 -13.951 -24.084 798 1HB GLN 101 HB2 GLN 101 -14.632 -12.887 -24.331 799 2HB GLN 101 HB1 GLN 101 -14.977 -14.583 -24.659 800 1HG GLN 101 HG2 GLN 101 -16.550 -12.368 -25.979 801 2HG GLN 101 HG1 GLN 101 -15.027 -12.946 -26.652 802 1HE2 GLN 101 HE22 GLN 101 -16.321 -16.155 -27.557 803 2HE2 GLN 101 HE21 GLN 101 -14.889 -15.325 -27.021 804 H ALA 102 HN ALA 102 -15.045 -12.955 -21.655 805 HA ALA 102 HA ALA 102 -14.580 -15.534 -20.539 806 1HB ALA 102 HB3 ALA 102 -13.088 -13.541 -20.266 807 2HB ALA 102 HB2 ALA 102 -14.287 -12.847 -19.174 808 3HB ALA 102 HB1 ALA 102 -13.471 -14.355 -18.750 809 H ILE 103 HN ILE 103 -16.920 -12.988 -19.857 810 HA ILE 103 HA ILE 103 -17.955 -14.145 -17.436 811 HB ILE 103 HB ILE 103 -18.924 -11.986 -19.307 812 1HG1 ILE 103 HG12 ILE 103 -18.176 -11.618 -16.425 813 2HG1 ILE 103 HG11 ILE 103 -16.908 -11.776 -17.633 814 1HG2 ILE 103 HG22 ILE 103 -20.276 -13.055 -16.836 815 2HG2 ILE 103 HG21 ILE 103 -20.554 -11.422 -17.440 816 3HG2 ILE 103 HG23 ILE 103 -20.957 -12.812 -18.443 817 1HD1 ILE 103 HD11 ILE 103 -18.546 -9.937 -18.820 818 2HD1 ILE 103 HD13 ILE 103 -18.748 -9.538 -17.116 819 3HD1 ILE 103 HD12 ILE 103 -17.140 -9.537 -17.837 820 H SER 104 HN SER 104 -19.185 -13.939 -20.783 821 HA SER 104 HA SER 104 -21.531 -15.459 -20.401 822 1HB SER 104 HB2 SER 104 -19.929 -15.188 -22.954 823 2HB SER 104 HB1 SER 104 -21.646 -15.560 -22.809 824 HG SER 104 HG SER 104 -20.299 -13.121 -22.424 825 H SER 105 HN SER 105 -18.240 -16.456 -21.281 826 HA SER 105 HA SER 105 -19.048 -19.251 -21.602 827 1HB SER 105 HB2 SER 105 -16.231 -18.176 -21.684 828 2HB SER 105 HB1 SER 105 -16.865 -19.646 -22.423 829 HG SER 105 HG SER 105 -17.184 -16.956 -23.223 830 H ALA 106 HN ALA 106 -19.023 -17.720 -18.903 831 HA ALA 106 HA ALA 106 -17.004 -19.033 -17.315 832 1HB ALA 106 HB1 ALA 106 -19.504 -17.532 -16.505 833 2HB ALA 106 HB3 ALA 106 -18.234 -18.063 -15.397 834 3HB ALA 106 HB2 ALA 106 -17.877 -16.859 -16.639 No H/Q in entry = 834 Start of MODEL 41 1 1H MET 1 HT2 MET 1 -9.956 -13.675 -15.408 2 2H MET 1 HT1 MET 1 -10.697 -14.303 -16.812 3 3H MET 1 HT3 MET 1 -8.999 -14.217 -16.704 4 HA MET 1 HA MET 1 -9.040 -12.273 -17.662 5 1HB MET 1 HB2 MET 1 -11.203 -12.934 -18.654 6 2HB MET 1 HB1 MET 1 -12.046 -12.265 -17.262 7 1HG MET 1 HG2 MET 1 -12.044 -10.739 -19.213 8 2HG MET 1 HG1 MET 1 -11.274 -10.035 -17.799 9 1HE MET 1 HE3 MET 1 -10.916 -8.531 -20.206 10 2HE MET 1 HE2 MET 1 -9.657 -8.138 -19.036 11 3HE MET 1 HE1 MET 1 -9.224 -8.456 -20.714 12 H GLU 2 HN GLU 2 -7.863 -11.258 -16.109 13 HA GLU 2 HA GLU 2 -9.286 -9.831 -13.943 14 1HB GLU 2 HB2 GLU 2 -6.448 -10.821 -14.253 15 2HB GLU 2 HB1 GLU 2 -6.894 -9.633 -13.032 16 1HG GLU 2 HG2 GLU 2 -6.962 -11.776 -11.979 17 2HG GLU 2 HG1 GLU 2 -8.623 -11.244 -12.200 18 H GLY 3 HN GLY 3 -9.135 -7.626 -13.784 19 1HA GLY 3 HA2 GLY 3 -7.200 -5.934 -14.833 20 2HA GLY 3 HA1 GLY 3 -8.409 -6.120 -16.100 21 H PHE 4 HN PHE 4 -8.166 -3.664 -15.361 22 HA PHE 4 HA PHE 4 -9.931 -2.957 -13.143 23 1HB PHE 4 HB2 PHE 4 -8.056 -1.506 -14.922 24 2HB PHE 4 HB1 PHE 4 -9.419 -0.589 -14.310 25 HD1 PHE 4 HD1 PHE 4 -9.841 -0.669 -11.762 26 HD2 PHE 4 HD2 PHE 4 -6.153 -1.771 -13.613 27 HE1 PHE 4 HE1 PHE 4 -8.663 -0.335 -9.624 28 HE2 PHE 4 HE2 PHE 4 -4.980 -1.431 -11.479 29 HZ PHE 4 HZ PHE 4 -6.262 -0.710 -9.466 30 H LEU 5 HN LEU 5 -11.835 -1.837 -13.340 31 HA LEU 5 HA LEU 5 -13.072 -1.368 -15.944 32 1HB LEU 5 HB2 LEU 5 -13.938 -3.506 -14.019 33 2HB LEU 5 HB1 LEU 5 -15.157 -2.643 -14.943 34 HG LEU 5 HG LEU 5 -12.833 -4.159 -16.130 35 1HD1 LEU 5 HD11 LEU 5 -15.666 -4.894 -15.528 36 2HD1 LEU 5 HD13 LEU 5 -14.881 -5.575 -16.951 37 3HD1 LEU 5 HD12 LEU 5 -14.195 -5.846 -15.350 38 1HD2 LEU 5 HD23 LEU 5 -15.008 -2.472 -17.288 39 2HD2 LEU 5 HD22 LEU 5 -13.323 -2.635 -17.783 40 3HD2 LEU 5 HD21 LEU 5 -14.483 -3.901 -18.178 41 H ASN 6 HN ASN 6 -14.997 -0.112 -15.775 42 HA ASN 6 HA ASN 6 -15.225 1.465 -13.276 43 1HB ASN 6 HB2 ASN 6 -15.184 2.215 -16.031 44 2HB ASN 6 HB1 ASN 6 -16.810 2.525 -15.442 45 1HD2 ASN 6 HD22 ASN 6 -15.778 5.529 -13.999 46 2HD2 ASN 6 HD21 ASN 6 -16.954 4.631 -14.910 47 H ARG 7 HN ARG 7 -16.895 0.953 -11.961 48 HA ARG 7 HA ARG 7 -19.121 -0.637 -13.118 49 1HB ARG 7 HB2 ARG 7 -17.624 -1.707 -11.387 50 2HB ARG 7 HB1 ARG 7 -18.282 -0.564 -10.220 51 1HG ARG 7 HG2 ARG 7 -20.560 -1.423 -10.673 52 2HG ARG 7 HG1 ARG 7 -19.888 -2.566 -11.830 53 1HD ARG 7 HD2 ARG 7 -20.206 -3.787 -9.806 54 2HD ARG 7 HD1 ARG 7 -18.474 -3.479 -9.923 55 HE ARG 7 HE ARG 7 -19.902 -1.457 -8.411 56 1HH1 ARG 7 HH11 ARG 7 -17.039 -2.601 -7.940 57 2HH1 ARG 7 HH12 ARG 7 -17.248 -3.390 -6.401 58 1HH2 ARG 7 HH21 ARG 7 -20.756 -3.320 -6.533 59 2HH2 ARG 7 HH22 ARG 7 -19.357 -3.794 -5.609 60 H LYS 8 HN LYS 8 -21.185 -0.197 -12.700 61 HA LYS 8 HA LYS 8 -21.976 2.026 -10.946 62 1HB LYS 8 HB2 LYS 8 -21.724 2.792 -13.401 63 2HB LYS 8 HB1 LYS 8 -23.132 1.795 -13.724 64 1HG LYS 8 HG2 LYS 8 -24.013 3.197 -11.570 65 2HG LYS 8 HG1 LYS 8 -22.924 4.374 -12.278 66 1HD LYS 8 HD2 LYS 8 -24.496 4.909 -13.788 67 2HD LYS 8 HD1 LYS 8 -24.456 3.263 -14.402 68 1HE LYS 8 HE2 LYS 8 -26.726 3.807 -13.767 69 2HE LYS 8 HE1 LYS 8 -26.094 2.598 -12.657 70 1HZ LYS 8 HZ1 LYS 8 -25.586 4.431 -11.093 71 2HZ LYS 8 HZ3 LYS 8 -26.382 5.504 -12.149 72 3HZ LYS 8 HZ2 LYS 8 -27.244 4.239 -11.408 73 H HIS 9 HN HIS 9 -24.080 1.759 -10.138 74 HA HIS 9 HA HIS 9 -25.201 -0.957 -10.477 75 1HB HIS 9 HB2 HIS 9 -26.091 0.894 -8.286 76 2HB HIS 9 HB1 HIS 9 -26.040 -0.859 -8.318 77 HD1 HIS 9 HD1 HIS 9 -24.567 -1.424 -6.397 78 HD2 HIS 9 HD2 HIS 9 -22.968 1.609 -8.693 79 HE1 HIS 9 HE1 HIS 9 -22.279 -1.028 -5.449 80 H GLU 10 HN GLU 10 -26.871 -1.102 -11.808 81 HA GLU 10 HA GLU 10 -28.644 1.213 -12.230 82 1HB GLU 10 HB2 GLU 10 -27.776 -1.126 -13.869 83 2HB GLU 10 HB1 GLU 10 -29.381 -0.489 -14.142 84 1HG GLU 10 HG2 GLU 10 -26.980 1.323 -14.115 85 2HG GLU 10 HG1 GLU 10 -27.438 0.441 -15.565 86 H TRP 11 HN TRP 11 -28.465 -1.762 -10.615 87 HA TRP 11 HA TRP 11 -31.235 -1.664 -9.788 88 1HB TRP 11 HB2 TRP 11 -31.303 -2.745 -12.081 89 2HB TRP 11 HB1 TRP 11 -30.349 -4.058 -11.418 90 HD1 TRP 11 HD1 TRP 11 -33.850 -2.407 -10.852 91 HE1 TRP 11 HE1 TRP 11 -35.431 -4.268 -10.070 92 HE3 TRP 11 HE3 TRP 11 -30.547 -6.301 -10.484 93 HZ2 TRP 11 HZ2 TRP 11 -35.331 -6.991 -9.394 94 HZ3 TRP 11 HZ3 TRP 11 -31.361 -8.512 -9.779 95 HH2 TRP 11 HH2 TRP 11 -33.726 -8.859 -9.232 96 H GLU 12 HN GLU 12 -30.983 -2.061 -7.666 97 HA GLU 12 HA GLU 12 -29.934 -4.521 -6.667 98 1HB GLU 12 HB2 GLU 12 -28.098 -3.483 -5.284 99 2HB GLU 12 HB1 GLU 12 -27.765 -3.572 -7.008 100 1HG GLU 12 HG2 GLU 12 -27.879 -1.292 -7.303 101 2HG GLU 12 HG1 GLU 12 -29.043 -1.070 -6.000 102 H ALA 13 HN ALA 13 -32.396 -3.343 -6.377 103 HA ALA 13 HA ALA 13 -32.619 -3.128 -3.501 104 1HB ALA 13 HB1 ALA 13 -33.289 -0.743 -5.244 105 2HB ALA 13 HB3 ALA 13 -33.775 -0.917 -3.560 106 3HB ALA 13 HB2 ALA 13 -32.065 -0.815 -3.975 107 H HIS 14 HN HIS 14 -33.574 -5.062 -5.102 108 HA HIS 14 HA HIS 14 -35.450 -6.326 -5.429 109 1HB HIS 14 HB2 HIS 14 -36.187 -5.126 -3.266 110 2HB HIS 14 HB1 HIS 14 -37.172 -4.111 -4.310 111 HD1 HIS 14 HD1 HIS 14 -39.470 -4.938 -4.609 112 HD2 HIS 14 HD2 HIS 14 -36.856 -8.053 -3.812 113 HE1 HIS 14 HE1 HIS 14 -40.902 -6.993 -4.546 114 H ASN 15 HN ASN 15 -36.773 -3.048 -5.928 115 HA ASN 15 HA ASN 15 -36.894 -3.448 -8.819 116 1HB ASN 15 HB2 ASN 15 -38.998 -4.481 -7.957 117 2HB ASN 15 HB1 ASN 15 -39.417 -2.942 -7.208 118 1HD2 ASN 15 HD22 ASN 15 -39.366 -3.139 -11.324 119 2HD2 ASN 15 HD21 ASN 15 -38.261 -4.093 -10.381 120 H LYS 16 HN LYS 16 -35.225 -1.800 -7.861 121 HA LYS 16 HA LYS 16 -36.253 0.852 -8.483 122 1HB LYS 16 HB2 LYS 16 -35.260 0.043 -5.771 123 2HB LYS 16 HB1 LYS 16 -34.820 1.635 -6.373 124 1HG LYS 16 HG2 LYS 16 -36.806 2.388 -5.663 125 2HG LYS 16 HG1 LYS 16 -37.571 1.398 -6.897 126 1HD LYS 16 HD2 LYS 16 -38.585 0.887 -4.776 127 2HD LYS 16 HD1 LYS 16 -37.627 -0.498 -5.283 128 1HE LYS 16 HE2 LYS 16 -37.355 0.048 -2.865 129 2HE LYS 16 HE1 LYS 16 -35.844 0.110 -3.758 130 1HZ LYS 16 HZ2 LYS 16 -37.500 2.490 -3.132 131 2HZ LYS 16 HZ1 LYS 16 -36.163 1.975 -2.206 132 3HZ LYS 16 HZ3 LYS 16 -35.934 2.472 -3.814 133 H LYS 17 HN LYS 17 -34.736 2.091 -9.461 134 HA LYS 17 HA LYS 17 -32.070 0.892 -9.893 135 1HB LYS 17 HB2 LYS 17 -31.978 2.337 -11.908 136 2HB LYS 17 HB1 LYS 17 -33.294 1.174 -11.955 137 1HG LYS 17 HG2 LYS 17 -34.646 2.891 -12.449 138 2HG LYS 17 HG1 LYS 17 -34.455 3.416 -10.782 139 1HD LYS 17 HD2 LYS 17 -34.000 5.233 -12.385 140 2HD LYS 17 HD1 LYS 17 -32.601 4.858 -11.390 141 1HE LYS 17 HE2 LYS 17 -32.588 3.279 -13.834 142 2HE LYS 17 HE1 LYS 17 -32.709 4.996 -14.200 143 1HZ LYS 17 HZ3 LYS 17 -30.765 4.407 -12.173 144 2HZ LYS 17 HZ2 LYS 17 -30.422 3.651 -13.660 145 3HZ LYS 17 HZ1 LYS 17 -30.618 5.345 -13.582 146 H ALA 18 HN ALA 18 -30.258 2.005 -9.365 147 HA ALA 18 HA ALA 18 -30.516 4.303 -7.631 148 1HB ALA 18 HB3 ALA 18 -28.883 2.425 -7.244 149 2HB ALA 18 HB2 ALA 18 -27.972 3.007 -8.638 150 3HB ALA 18 HB1 ALA 18 -28.164 4.035 -7.219 151 H SER 19 HN SER 19 -30.784 6.257 -8.455 152 HA SER 19 HA SER 19 -29.940 6.961 -11.145 153 1HB SER 19 HB2 SER 19 -31.010 8.904 -9.110 154 2HB SER 19 HB1 SER 19 -31.169 8.931 -10.865 155 HG SER 19 HG SER 19 -32.421 7.098 -9.062 156 H SER 20 HN SER 20 -28.387 6.922 -8.160 157 HA SER 20 HA SER 20 -26.854 9.302 -8.240 158 1HB SER 20 HB2 SER 20 -25.888 6.794 -6.972 159 2HB SER 20 HB1 SER 20 -25.668 8.450 -6.437 160 HG SER 20 HG SER 20 -27.917 8.509 -5.943 161 H ARG 21 HN ARG 21 -24.813 9.724 -8.988 162 HA ARG 21 HA ARG 21 -23.894 8.161 -11.263 163 1HB ARG 21 HB2 ARG 21 -23.949 10.784 -10.868 164 2HB ARG 21 HB1 ARG 21 -22.382 10.496 -10.129 165 1HG ARG 21 HG2 ARG 21 -22.668 9.146 -12.710 166 2HG ARG 21 HG1 ARG 21 -22.894 10.884 -12.837 167 1HD ARG 21 HD2 ARG 21 -20.493 9.475 -11.641 168 2HD ARG 21 HD1 ARG 21 -20.547 10.321 -13.185 169 HE ARG 21 HE ARG 21 -21.333 12.052 -11.027 170 1HH1 ARG 21 HH21 ARG 21 -18.539 10.420 -10.642 171 2HH1 ARG 21 HH22 ARG 21 -17.434 11.722 -11.009 172 1HH2 ARG 21 HH11 ARG 21 -19.927 13.806 -12.372 173 2HH2 ARG 21 HH12 ARG 21 -18.226 13.654 -12.006 174 H SER 22 HN SER 22 -23.690 6.425 -9.399 175 HA SER 22 HA SER 22 -21.274 6.452 -7.822 176 1HB SER 22 HB2 SER 22 -22.877 3.996 -8.393 177 2HB SER 22 HB1 SER 22 -22.045 4.460 -6.913 178 HG SER 22 HG SER 22 -23.640 5.997 -6.513 179 H TRP 23 HN TRP 23 -20.556 6.838 -10.430 180 HA TRP 23 HA TRP 23 -19.632 4.379 -11.664 181 1HB TRP 23 HB2 TRP 23 -19.485 7.302 -12.309 182 2HB TRP 23 HB1 TRP 23 -18.274 6.246 -13.025 183 HD1 TRP 23 HD1 TRP 23 -21.747 7.461 -13.639 184 HE1 TRP 23 HE1 TRP 23 -22.850 6.077 -15.484 185 HE3 TRP 23 HE3 TRP 23 -18.408 3.608 -13.934 186 HZ2 TRP 23 HZ2 TRP 23 -22.384 3.673 -16.899 187 HZ3 TRP 23 HZ3 TRP 23 -18.778 1.808 -15.555 188 HH2 TRP 23 HH2 TRP 23 -20.750 1.832 -17.033 189 H HIS 24 HN HIS 24 -18.361 3.396 -10.150 190 HA HIS 24 HA HIS 24 -15.971 4.822 -9.165 191 1HB HIS 24 HB2 HIS 24 -17.724 3.818 -7.586 192 2HB HIS 24 HB1 HIS 24 -17.136 2.243 -8.108 193 HD1 HIS 24 HD1 HIS 24 -16.266 5.106 -5.924 194 HD2 HIS 24 HD2 HIS 24 -14.506 1.619 -7.260 195 HE1 HIS 24 HE1 HIS 24 -14.280 4.782 -4.433 196 H ASN 25 HN ASN 25 -13.980 4.110 -9.605 197 HA ASN 25 HA ASN 25 -13.558 2.077 -11.630 198 1HB ASN 25 HB2 ASN 25 -11.161 2.755 -11.404 199 2HB ASN 25 HB1 ASN 25 -12.236 4.106 -11.748 200 1HD2 ASN 25 HD22 ASN 25 -9.891 4.298 -8.544 201 2HD2 ASN 25 HD21 ASN 25 -9.687 3.189 -9.861 202 H VAL 26 HN VAL 26 -13.275 -0.030 -11.151 203 HA VAL 26 HA VAL 26 -11.992 -0.780 -8.604 204 HB VAL 26 HB VAL 26 -14.605 -0.787 -8.621 205 1HG1 VAL 26 HG12 VAL 26 -14.686 -2.111 -10.785 206 2HG1 VAL 26 HG11 VAL 26 -14.188 -3.511 -9.834 207 3HG1 VAL 26 HG13 VAL 26 -15.705 -2.692 -9.468 208 1HG2 VAL 26 HG22 VAL 26 -12.971 -1.792 -6.924 209 2HG2 VAL 26 HG21 VAL 26 -14.629 -2.389 -6.940 210 3HG2 VAL 26 HG23 VAL 26 -13.346 -3.341 -7.684 211 H TYR 27 HN TYR 27 -11.255 -3.000 -8.560 212 HA TYR 27 HA TYR 27 -10.306 -3.911 -11.203 213 1HB TYR 27 HB2 TYR 27 -8.734 -3.378 -9.253 214 2HB TYR 27 HB1 TYR 27 -9.345 -4.835 -8.495 215 HD1 TYR 27 HD2 TYR 27 -8.855 -7.042 -9.452 216 HD2 TYR 27 HD1 TYR 27 -7.257 -3.472 -11.138 217 HE1 TYR 27 HE2 TYR 27 -7.192 -8.372 -10.700 218 HE2 TYR 27 HE1 TYR 27 -5.592 -4.791 -12.371 219 HH TYR 27 HH TYR 27 -5.437 -7.225 -13.249 220 H CYS 28 HN CYS 28 -11.412 -5.544 -12.094 221 HA CYS 28 HA CYS 28 -13.021 -7.340 -10.386 222 1HB CYS 28 HB2 CYS 28 -13.144 -6.937 -13.380 223 2HB CYS 28 HB1 CYS 28 -14.286 -7.834 -12.386 224 HG CYS 28 HG CYS 28 -14.094 -4.934 -11.522 225 H VAL 29 HN VAL 29 -12.640 -9.456 -10.259 226 HA VAL 29 HA VAL 29 -10.676 -10.746 -12.057 227 HB VAL 29 HB VAL 29 -10.842 -10.934 -9.041 228 1HG1 VAL 29 HG11 VAL 29 -9.699 -12.778 -11.016 229 2HG1 VAL 29 HG13 VAL 29 -8.594 -12.318 -9.724 230 3HG1 VAL 29 HG12 VAL 29 -10.151 -13.056 -9.336 231 1HG2 VAL 29 HG21 VAL 29 -9.213 -9.361 -10.849 232 2HG2 VAL 29 HG23 VAL 29 -9.379 -9.256 -9.099 233 3HG2 VAL 29 HG22 VAL 29 -8.224 -10.381 -9.806 234 H ILE 30 HN ILE 30 -11.290 -12.769 -12.728 235 HA ILE 30 HA ILE 30 -13.826 -13.862 -11.619 236 HB ILE 30 HB ILE 30 -12.696 -14.386 -14.378 237 1HG1 ILE 30 HG12 ILE 30 -14.746 -12.336 -13.501 238 2HG1 ILE 30 HG11 ILE 30 -13.195 -12.026 -14.275 239 1HG2 ILE 30 HG23 ILE 30 -15.345 -14.958 -13.045 240 2HG2 ILE 30 HG22 ILE 30 -15.104 -15.063 -14.788 241 3HG2 ILE 30 HG21 ILE 30 -14.193 -16.119 -13.709 242 1HD1 ILE 30 HD12 ILE 30 -13.998 -13.247 -16.289 243 2HD1 ILE 30 HD11 ILE 30 -15.573 -13.425 -15.512 244 3HD1 ILE 30 HD13 ILE 30 -14.966 -11.819 -15.913 245 H ASN 31 HN ASN 31 -13.637 -15.720 -10.550 246 HA ASN 31 HA ASN 31 -11.269 -17.455 -11.045 247 1HB ASN 31 HB2 ASN 31 -11.553 -16.067 -8.801 248 2HB ASN 31 HB1 ASN 31 -12.641 -17.382 -8.374 249 1HD2 ASN 31 HD22 ASN 31 -10.055 -19.580 -7.598 250 2HD2 ASN 31 HD21 ASN 31 -11.747 -19.186 -7.560 251 H ASN 32 HN ASN 32 -13.705 -17.698 -12.434 252 HA ASN 32 HA ASN 32 -15.161 -19.266 -13.182 253 1HB ASN 32 HB2 ASN 32 -13.359 -20.866 -12.990 254 2HB ASN 32 HB1 ASN 32 -13.679 -21.095 -11.276 255 1HD2 ASN 32 HD22 ASN 32 -16.564 -22.524 -13.838 256 2HD2 ASN 32 HD21 ASN 32 -15.840 -20.972 -14.120 257 H GLN 33 HN GLN 33 -17.229 -19.071 -12.774 258 HA GLN 33 HA GLN 33 -19.269 -19.146 -11.789 259 1HB GLN 33 HB2 GLN 33 -19.669 -20.966 -10.574 260 2HB GLN 33 HB1 GLN 33 -17.947 -21.295 -10.646 261 1HG GLN 33 HG2 GLN 33 -17.613 -20.198 -8.486 262 2HG GLN 33 HG1 GLN 33 -19.311 -19.725 -8.433 263 1HE2 GLN 33 HE22 GLN 33 -18.251 -23.592 -7.650 264 2HE2 GLN 33 HE21 GLN 33 -17.139 -22.518 -8.443 265 H GLU 34 HN GLU 34 -16.602 -17.922 -9.889 266 HA GLU 34 HA GLU 34 -18.403 -15.927 -8.646 267 1HB GLU 34 HB2 GLU 34 -16.056 -17.374 -7.403 268 2HB GLU 34 HB1 GLU 34 -16.769 -15.916 -6.725 269 1HG GLU 34 HG2 GLU 34 -19.004 -17.410 -6.996 270 2HG GLU 34 HG1 GLU 34 -17.820 -18.699 -6.799 271 H MET 35 HN MET 35 -17.411 -13.899 -8.194 272 HA MET 35 HA MET 35 -14.863 -13.319 -9.531 273 1HB MET 35 HB2 MET 35 -15.744 -11.392 -10.669 274 2HB MET 35 HB1 MET 35 -16.722 -12.781 -11.119 275 1HG MET 35 HG2 MET 35 -18.424 -12.107 -9.469 276 2HG MET 35 HG1 MET 35 -17.468 -10.689 -9.070 277 1HE MET 35 HE2 MET 35 -16.638 -9.051 -10.819 278 2HE MET 35 HE1 MET 35 -16.587 -9.788 -12.421 279 3HE MET 35 HE3 MET 35 -17.675 -8.432 -12.100 280 H GLY 36 HN GLY 36 -13.681 -11.742 -8.527 281 1HA GLY 36 HA2 GLY 36 -14.742 -10.704 -5.959 282 2HA GLY 36 HA1 GLY 36 -13.065 -11.148 -6.240 283 H PHE 37 HN PHE 37 -14.744 -8.594 -5.623 284 HA PHE 37 HA PHE 37 -13.616 -6.786 -7.668 285 1HB PHE 37 HB2 PHE 37 -15.720 -6.341 -5.535 286 2HB PHE 37 HB1 PHE 37 -15.091 -5.077 -6.583 287 HD1 PHE 37 HD1 PHE 37 -15.268 -5.516 -9.149 288 HD2 PHE 37 HD2 PHE 37 -17.586 -7.544 -6.191 289 HE1 PHE 37 HE1 PHE 37 -16.932 -6.113 -10.860 290 HE2 PHE 37 HE2 PHE 37 -19.250 -8.139 -7.909 291 HZ PHE 37 HZ PHE 37 -18.935 -7.388 -10.241 292 H TYR 38 HN TYR 38 -11.584 -6.251 -7.148 293 HA TYR 38 HA TYR 38 -10.921 -5.577 -4.331 294 1HB TYR 38 HB2 TYR 38 -9.019 -6.348 -6.551 295 2HB TYR 38 HB1 TYR 38 -8.628 -6.121 -4.852 296 HD1 TYR 38 HD2 TYR 38 -10.210 -8.338 -7.303 297 HD2 TYR 38 HD1 TYR 38 -9.152 -7.803 -3.209 298 HE1 TYR 38 HE2 TYR 38 -10.612 -10.732 -6.883 299 HE2 TYR 38 HE1 TYR 38 -9.547 -10.195 -2.788 300 HH TYR 38 HH TYR 38 -9.725 -12.467 -5.154 301 H LYS 39 HN LYS 39 -8.907 -4.015 -4.319 302 HA LYS 39 HA LYS 39 -9.795 -1.552 -5.563 303 1HB LYS 39 HB2 LYS 39 -8.720 -1.914 -3.214 304 2HB LYS 39 HB1 LYS 39 -7.190 -1.853 -4.085 305 1HG LYS 39 HG2 LYS 39 -7.456 0.369 -4.670 306 2HG LYS 39 HG1 LYS 39 -9.211 0.291 -4.598 307 1HD LYS 39 HD2 LYS 39 -8.886 1.459 -2.677 308 2HD LYS 39 HD1 LYS 39 -8.681 -0.154 -2.004 309 1HE LYS 39 HE2 LYS 39 -6.638 0.443 -1.312 310 2HE LYS 39 HE1 LYS 39 -6.142 0.587 -2.994 311 1HZ LYS 39 HZ3 LYS 39 -7.399 2.759 -1.402 312 2HZ LYS 39 HZ2 LYS 39 -5.726 2.611 -1.706 313 3HZ LYS 39 HZ1 LYS 39 -6.811 2.885 -2.994 314 H ASP 40 HN ASP 40 -7.122 -3.830 -6.003 315 HA ASP 40 HA ASP 40 -6.674 -2.982 -8.705 316 1HB ASP 40 HB2 ASP 40 -4.530 -2.037 -8.585 317 2HB ASP 40 HB1 ASP 40 -5.389 -1.267 -7.259 318 H ALA 41 HN ALA 41 -4.149 -3.999 -9.124 319 HA ALA 41 HA ALA 41 -4.607 -6.812 -9.220 320 1HB ALA 41 HB3 ALA 41 -2.201 -5.090 -9.823 321 2HB ALA 41 HB2 ALA 41 -2.190 -6.844 -10.020 322 3HB ALA 41 HB1 ALA 41 -3.309 -5.860 -10.963 323 H LYS 42 HN LYS 42 -2.491 -4.764 -7.201 324 HA LYS 42 HA LYS 42 -1.179 -6.871 -5.809 325 1HB LYS 42 HB2 LYS 42 -1.732 -4.030 -4.918 326 2HB LYS 42 HB1 LYS 42 -0.584 -5.134 -4.170 327 1HG LYS 42 HG2 LYS 42 0.207 -5.228 -6.783 328 2HG LYS 42 HG1 LYS 42 -0.349 -3.563 -6.653 329 1HD LYS 42 HD2 LYS 42 1.135 -3.159 -4.779 330 2HD LYS 42 HD1 LYS 42 1.628 -4.850 -4.755 331 1HE LYS 42 HE2 LYS 42 2.151 -2.858 -6.980 332 2HE LYS 42 HE1 LYS 42 3.342 -3.502 -5.852 333 1HZ LYS 42 HZ1 LYS 42 2.563 -5.766 -6.791 334 2HZ LYS 42 HZ3 LYS 42 1.993 -4.836 -8.103 335 3HZ LYS 42 HZ2 LYS 42 3.650 -4.807 -7.695 336 H SER 43 HN SER 43 -4.145 -5.045 -5.165 337 HA SER 43 HA SER 43 -4.728 -6.188 -2.617 338 1HB SER 43 HB2 SER 43 -6.678 -5.030 -4.607 339 2HB SER 43 HB1 SER 43 -6.911 -5.216 -2.872 340 HG SER 43 HG SER 43 -5.039 -3.514 -4.197 341 H ALA 44 HN ALA 44 -5.551 -7.085 -5.936 342 HA ALA 44 HA ALA 44 -7.364 -9.200 -5.246 343 1HB ALA 44 HB2 ALA 44 -7.418 -8.005 -7.423 344 2HB ALA 44 HB1 ALA 44 -5.878 -8.749 -7.843 345 3HB ALA 44 HB3 ALA 44 -7.310 -9.753 -7.607 346 H ALA 45 HN ALA 45 -3.940 -9.067 -6.170 347 HA ALA 45 HA ALA 45 -3.476 -11.865 -6.264 348 1HB ALA 45 HB2 ALA 45 -1.598 -9.532 -5.831 349 2HB ALA 45 HB1 ALA 45 -1.065 -11.196 -6.071 350 3HB ALA 45 HB3 ALA 45 -1.949 -10.362 -7.348 351 H SER 46 HN SER 46 -2.842 -9.469 -3.686 352 HA SER 46 HA SER 46 -1.887 -11.422 -1.808 353 1HB SER 46 HB2 SER 46 -1.498 -8.805 -1.989 354 2HB SER 46 HB1 SER 46 -2.890 -8.756 -0.911 355 HG SER 46 HG SER 46 -0.533 -10.313 -0.476 356 H GLY 47 HN GLY 47 -5.033 -10.157 -2.609 357 1HA GLY 47 HA2 GLY 47 -7.103 -11.064 -2.042 358 2HA GLY 47 HA1 GLY 47 -6.316 -12.068 -0.828 359 H ILE 48 HN ILE 48 -6.665 -8.569 -1.437 360 HA ILE 48 HA ILE 48 -7.373 -8.147 1.414 361 HB ILE 48 HB ILE 48 -6.121 -6.327 -0.653 362 1HG1 ILE 48 HG12 ILE 48 -5.064 -7.043 2.074 363 2HG1 ILE 48 HG11 ILE 48 -4.734 -8.040 0.660 364 1HG2 ILE 48 HG23 ILE 48 -7.229 -5.653 2.069 365 2HG2 ILE 48 HG22 ILE 48 -6.011 -4.659 1.267 366 3HG2 ILE 48 HG21 ILE 48 -7.597 -4.885 0.524 367 1HD1 ILE 48 HD11 ILE 48 -4.130 -5.080 0.775 368 2HD1 ILE 48 HD13 ILE 48 -2.958 -6.325 1.204 369 3HD1 ILE 48 HD12 ILE 48 -3.591 -6.243 -0.440 370 HA PRO 49 HA PRO 49 -11.416 -7.448 -0.451 371 1HB PRO 49 HB2 PRO 49 -12.788 -7.020 1.859 372 2HB PRO 49 HB1 PRO 49 -12.345 -8.621 1.254 373 1HG PRO 49 HG2 PRO 49 -11.068 -6.984 3.398 374 2HG PRO 49 HG1 PRO 49 -11.317 -8.737 3.310 375 1HD PRO 49 HD2 PRO 49 -8.928 -7.493 2.784 376 2HD PRO 49 HD1 PRO 49 -9.391 -9.072 2.117 377 H TYR 50 HN TYR 50 -12.418 -5.679 -1.201 378 HA TYR 50 HA TYR 50 -11.534 -3.047 -0.279 379 1HB TYR 50 HB2 TYR 50 -11.433 -3.745 -2.704 380 2HB TYR 50 HB1 TYR 50 -13.186 -3.762 -2.718 381 HD1 TYR 50 HD1 TYR 50 -10.863 -1.264 -1.147 382 HD2 TYR 50 HD2 TYR 50 -13.759 -2.067 -4.185 383 HE1 TYR 50 HE1 TYR 50 -10.883 1.108 -1.759 384 HE2 TYR 50 HE2 TYR 50 -13.766 0.312 -4.796 385 HH TYR 50 HH TYR 50 -12.983 2.333 -4.349 386 H HIS 51 HN HIS 51 -14.275 -2.282 -1.737 387 HA HIS 51 HA HIS 51 -16.103 -2.725 0.536 388 1HB HIS 51 HB2 HIS 51 -15.013 -0.105 -0.413 389 2HB HIS 51 HB1 HIS 51 -16.705 -0.158 0.058 390 HD1 HIS 51 HD1 HIS 51 -17.186 0.036 2.495 391 HD2 HIS 51 HD2 HIS 51 -13.214 -0.919 1.797 392 HE1 HIS 51 HE1 HIS 51 -16.081 0.157 4.738 393 H SER 52 HN SER 52 -18.310 -2.225 0.057 394 HA SER 52 HA SER 52 -20.231 -2.280 -1.155 395 1HB SER 52 HB2 SER 52 -18.602 -1.329 -3.524 396 2HB SER 52 HB1 SER 52 -20.344 -1.200 -3.301 397 HG SER 52 HG SER 52 -19.899 0.130 -1.428 398 H GLU 53 HN GLU 53 -19.736 -4.624 -0.744 399 HA GLU 53 HA GLU 53 -19.933 -6.807 -1.358 400 1HB GLU 53 HB2 GLU 53 -20.654 -5.909 -4.146 401 2HB GLU 53 HB1 GLU 53 -21.164 -7.365 -3.301 402 1HG GLU 53 HG2 GLU 53 -22.088 -4.524 -2.854 403 2HG GLU 53 HG1 GLU 53 -23.051 -5.932 -3.285 404 H VAL 54 HN VAL 54 -17.850 -7.553 -1.202 405 HA VAL 54 HA VAL 54 -15.979 -7.089 -3.393 406 HB VAL 54 HB VAL 54 -15.654 -8.370 -0.687 407 1HG1 VAL 54 HG12 VAL 54 -13.740 -8.296 -3.004 408 2HG1 VAL 54 HG11 VAL 54 -13.174 -8.353 -1.334 409 3HG1 VAL 54 HG13 VAL 54 -14.166 -9.662 -1.968 410 1HG2 VAL 54 HG21 VAL 54 -15.806 -5.915 -0.807 411 2HG2 VAL 54 HG23 VAL 54 -14.230 -6.482 -0.253 412 3HG2 VAL 54 HG22 VAL 54 -14.426 -5.913 -1.915 413 HA PRO 55 HA PRO 55 -16.446 -11.701 -4.158 414 1HB PRO 55 HB2 PRO 55 -17.547 -13.386 -2.332 415 2HB PRO 55 HB1 PRO 55 -15.871 -12.827 -2.248 416 1HG PRO 55 HG2 PRO 55 -18.091 -12.189 -0.489 417 2HG PRO 55 HG1 PRO 55 -16.372 -11.817 -0.293 418 1HD PRO 55 HD2 PRO 55 -18.552 -10.112 -1.302 419 2HD PRO 55 HD1 PRO 55 -16.965 -9.657 -0.688 420 H VAL 56 HN VAL 56 -17.924 -11.804 -5.811 421 HA VAL 56 HA VAL 56 -20.780 -12.182 -5.115 422 HB VAL 56 HB VAL 56 -19.771 -10.595 -7.478 423 1HG1 VAL 56 HG12 VAL 56 -22.499 -11.289 -6.421 424 2HG1 VAL 56 HG11 VAL 56 -22.245 -9.816 -7.357 425 3HG1 VAL 56 HG13 VAL 56 -21.881 -11.389 -8.073 426 1HG2 VAL 56 HG22 VAL 56 -20.754 -9.670 -4.781 427 2HG2 VAL 56 HG21 VAL 56 -19.233 -9.273 -5.583 428 3HG2 VAL 56 HG23 VAL 56 -20.756 -8.630 -6.206 429 H SER 57 HN SER 57 -21.896 -13.640 -6.310 430 HA SER 57 HA SER 57 -20.405 -15.644 -7.751 431 1HB SER 57 HB2 SER 57 -23.366 -15.512 -7.326 432 2HB SER 57 HB1 SER 57 -22.361 -16.924 -7.565 433 HG SER 57 HG SER 57 -22.313 -15.190 -5.297 434 H LEU 58 HN LEU 58 -20.243 -15.805 -9.870 435 HA LEU 58 HA LEU 58 -22.058 -14.305 -11.669 436 1HB LEU 58 HB2 LEU 58 -19.630 -13.494 -11.458 437 2HB LEU 58 HB1 LEU 58 -19.173 -14.989 -12.261 438 HG LEU 58 HG LEU 58 -21.086 -14.153 -13.947 439 1HD1 LEU 58 HD12 LEU 58 -21.102 -12.021 -12.343 440 2HD1 LEU 58 HD11 LEU 58 -19.824 -11.523 -13.451 441 3HD1 LEU 58 HD13 LEU 58 -21.427 -11.912 -14.077 442 1HD2 LEU 58 HD22 LEU 58 -18.177 -13.379 -13.919 443 2HD2 LEU 58 HD21 LEU 58 -18.923 -14.768 -14.711 444 3HD2 LEU 58 HD23 LEU 58 -19.233 -13.141 -15.312 445 H LYS 59 HN LYS 59 -23.069 -16.587 -11.084 446 HA LYS 59 HA LYS 59 -22.020 -18.739 -12.776 447 1HB LYS 59 HB2 LYS 59 -22.849 -19.091 -10.400 448 2HB LYS 59 HB1 LYS 59 -24.477 -18.828 -11.017 449 1HG LYS 59 HG2 LYS 59 -24.581 -20.902 -11.887 450 2HG LYS 59 HG1 LYS 59 -23.000 -20.739 -12.650 451 1HD LYS 59 HD2 LYS 59 -22.994 -22.576 -11.018 452 2HD LYS 59 HD1 LYS 59 -21.905 -21.284 -10.523 453 1HE LYS 59 HE2 LYS 59 -23.025 -21.789 -8.550 454 2HE LYS 59 HE1 LYS 59 -23.918 -20.399 -9.157 455 1HZ LYS 59 HZ2 LYS 59 -24.964 -22.857 -10.164 456 2HZ LYS 59 HZ1 LYS 59 -24.960 -22.823 -8.461 457 3HZ LYS 59 HZ3 LYS 59 -25.757 -21.591 -9.334 458 H GLU 60 HN GLU 60 -22.472 -18.315 -14.830 459 HA GLU 60 HA GLU 60 -23.591 -18.058 -16.796 460 1HB GLU 60 HB2 GLU 60 -26.066 -18.984 -15.325 461 2HB GLU 60 HB1 GLU 60 -25.705 -19.126 -17.043 462 1HG GLU 60 HG2 GLU 60 -23.631 -20.507 -16.215 463 2HG GLU 60 HG1 GLU 60 -24.558 -20.678 -14.729 464 H ALA 61 HN ALA 61 -23.156 -15.733 -15.864 465 HA ALA 61 HA ALA 61 -25.530 -14.148 -15.334 466 1HB ALA 61 HB2 ALA 61 -22.649 -13.352 -15.835 467 2HB ALA 61 HB1 ALA 61 -23.930 -12.252 -15.324 468 3HB ALA 61 HB3 ALA 61 -23.420 -13.565 -14.260 469 H ILE 62 HN ILE 62 -26.544 -12.752 -16.714 470 HA ILE 62 HA ILE 62 -26.107 -13.105 -19.579 471 HB ILE 62 HB ILE 62 -28.142 -11.327 -18.222 472 1HG1 ILE 62 HG12 ILE 62 -29.660 -13.397 -18.798 473 2HG1 ILE 62 HG11 ILE 62 -28.153 -14.299 -18.670 474 1HG2 ILE 62 HG23 ILE 62 -27.947 -12.578 -20.960 475 2HG2 ILE 62 HG22 ILE 62 -29.403 -11.797 -20.341 476 3HG2 ILE 62 HG21 ILE 62 -27.921 -10.861 -20.554 477 1HD1 ILE 62 HD12 ILE 62 -28.579 -12.438 -16.441 478 2HD1 ILE 62 HD11 ILE 62 -29.832 -13.667 -16.570 479 3HD1 ILE 62 HD13 ILE 62 -28.144 -14.146 -16.415 480 H CYS 63 HN CYS 63 -25.366 -11.500 -20.946 481 HA CYS 63 HA CYS 63 -24.585 -8.920 -19.755 482 1HB CYS 63 HB2 CYS 63 -22.708 -10.632 -19.777 483 2HB CYS 63 HB1 CYS 63 -22.760 -10.531 -21.531 484 HG CYS 63 HG CYS 63 -22.318 -7.871 -20.043 485 H GLU 64 HN GLU 64 -25.042 -7.219 -20.977 486 HA GLU 64 HA GLU 64 -25.626 -7.556 -23.870 487 1HB GLU 64 HB2 GLU 64 -27.146 -5.705 -22.019 488 2HB GLU 64 HB1 GLU 64 -27.525 -6.098 -23.691 489 1HG GLU 64 HG2 GLU 64 -27.543 -8.179 -21.484 490 2HG GLU 64 HG1 GLU 64 -28.958 -7.223 -21.902 491 H VAL 65 HN VAL 65 -24.081 -6.427 -24.923 492 HA VAL 65 HA VAL 65 -22.514 -4.366 -23.751 493 HB VAL 65 HB VAL 65 -21.412 -5.509 -25.406 494 1HG1 VAL 65 HG22 VAL 65 -23.983 -5.516 -26.848 495 2HG1 VAL 65 HG21 VAL 65 -22.525 -5.479 -27.840 496 3HG1 VAL 65 HG23 VAL 65 -22.758 -6.782 -26.672 497 1HG2 VAL 65 HG12 VAL 65 -21.146 -3.039 -25.668 498 2HG2 VAL 65 HG11 VAL 65 -20.788 -3.973 -27.120 499 3HG2 VAL 65 HG13 VAL 65 -22.321 -3.110 -26.984 500 H ALA 66 HN ALA 66 -22.509 -2.210 -23.920 501 HA ALA 66 HA ALA 66 -24.753 -0.793 -25.251 502 1HB ALA 66 HB1 ALA 66 -25.103 -0.882 -22.806 503 2HB ALA 66 HB3 ALA 66 -23.512 -0.156 -22.558 504 3HB ALA 66 HB2 ALA 66 -24.789 0.758 -23.365 505 H LEU 67 HN LEU 67 -23.479 -0.314 -27.030 506 HA LEU 67 HA LEU 67 -20.844 0.815 -26.847 507 1HB LEU 67 HB2 LEU 67 -22.365 -0.341 -28.861 508 2HB LEU 67 HB1 LEU 67 -22.255 1.343 -29.354 509 HG LEU 67 HG LEU 67 -19.703 0.993 -28.704 510 1HD1 LEU 67 HD12 LEU 67 -20.613 -1.784 -29.471 511 2HD1 LEU 67 HD11 LEU 67 -18.936 -1.261 -29.313 512 3HD1 LEU 67 HD13 LEU 67 -19.985 -1.293 -27.896 513 1HD2 LEU 67 HD22 LEU 67 -20.730 1.581 -30.947 514 2HD2 LEU 67 HD21 LEU 67 -19.192 0.719 -30.994 515 3HD2 LEU 67 HD23 LEU 67 -20.697 -0.147 -31.304 516 H ASP 68 HN ASP 68 -24.004 2.165 -26.650 517 HA ASP 68 HA ASP 68 -22.869 4.856 -26.429 518 1HB ASP 68 HB2 ASP 68 -23.697 4.555 -28.794 519 2HB ASP 68 HB1 ASP 68 -25.317 4.319 -28.138 520 H TYR 69 HN TYR 69 -23.215 4.420 -24.205 521 HA TYR 69 HA TYR 69 -26.038 4.415 -23.313 522 1HB TYR 69 HB2 TYR 69 -24.695 2.620 -22.365 523 2HB TYR 69 HB1 TYR 69 -23.474 3.771 -21.830 524 HD1 TYR 69 HD1 TYR 69 -27.197 3.388 -21.513 525 HD2 TYR 69 HD2 TYR 69 -23.486 4.242 -19.579 526 HE1 TYR 69 HE1 TYR 69 -28.382 3.687 -19.372 527 HE2 TYR 69 HE2 TYR 69 -24.672 4.535 -17.441 528 HH TYR 69 HH TYR 69 -27.763 3.503 -16.860 529 H LYS 70 HN LYS 70 -26.327 6.623 -23.854 530 HA LYS 70 HA LYS 70 -26.612 8.812 -23.285 531 1HB LYS 70 HB2 LYS 70 -24.839 8.329 -20.863 532 2HB LYS 70 HB1 LYS 70 -25.913 9.692 -21.143 533 1HG LYS 70 HG2 LYS 70 -27.846 8.128 -21.150 534 2HG LYS 70 HG1 LYS 70 -26.748 6.808 -20.755 535 1HD LYS 70 HD2 LYS 70 -27.002 7.300 -18.582 536 2HD LYS 70 HD1 LYS 70 -26.208 8.843 -18.872 537 1HE LYS 70 HE2 LYS 70 -28.290 9.348 -17.843 538 2HE LYS 70 HE1 LYS 70 -28.486 9.741 -19.547 539 1HZ LYS 70 HZ2 LYS 70 -29.528 7.516 -19.836 540 2HZ LYS 70 HZ1 LYS 70 -29.476 7.317 -18.139 541 3HZ LYS 70 HZ3 LYS 70 -30.402 8.571 -18.822 542 H LYS 71 HN LYS 71 -23.384 8.617 -21.888 543 HA LYS 71 HA LYS 71 -22.023 9.470 -24.293 544 1HB LYS 71 HB2 LYS 71 -22.653 11.399 -22.074 545 2HB LYS 71 HB1 LYS 71 -21.113 11.536 -22.916 546 1HG LYS 71 HG2 LYS 71 -22.545 11.491 -25.081 547 2HG LYS 71 HG1 LYS 71 -23.894 11.871 -24.009 548 1HD LYS 71 HD2 LYS 71 -23.089 13.970 -23.504 549 2HD LYS 71 HD1 LYS 71 -21.411 13.518 -23.782 550 1HE LYS 71 HE2 LYS 71 -23.300 13.526 -26.104 551 2HE LYS 71 HE1 LYS 71 -22.703 15.065 -25.494 552 1HZ LYS 71 HZ1 LYS 71 -20.566 13.218 -25.748 553 2HZ LYS 71 HZ3 LYS 71 -21.416 13.323 -27.213 554 3HZ LYS 71 HZ2 LYS 71 -20.777 14.736 -26.500 555 H LYS 72 HN LYS 72 -21.018 7.448 -23.734 556 HA LYS 72 HA LYS 72 -18.738 7.775 -21.937 557 1HB LYS 72 HB2 LYS 72 -21.019 5.917 -21.446 558 2HB LYS 72 HB1 LYS 72 -19.409 5.272 -21.175 559 1HG LYS 72 HG2 LYS 72 -19.368 6.267 -19.178 560 2HG LYS 72 HG1 LYS 72 -19.449 7.835 -19.970 561 1HD LYS 72 HD2 LYS 72 -21.816 7.903 -19.811 562 2HD LYS 72 HD1 LYS 72 -21.919 6.195 -19.400 563 1HE LYS 72 HE2 LYS 72 -22.273 7.452 -17.384 564 2HE LYS 72 HE1 LYS 72 -20.685 6.697 -17.278 565 1HZ LYS 72 HZ2 LYS 72 -20.202 9.126 -18.438 566 2HZ LYS 72 HZ1 LYS 72 -21.384 9.461 -17.254 567 3HZ LYS 72 HZ3 LYS 72 -19.930 8.706 -16.808 568 H LYS 73 HN LYS 73 -17.474 5.535 -22.051 569 HA LYS 73 HA LYS 73 -16.802 5.178 -24.848 570 1HB LYS 73 HB2 LYS 73 -15.655 3.774 -22.417 571 2HB LYS 73 HB1 LYS 73 -14.926 3.904 -24.016 572 1HG LYS 73 HG2 LYS 73 -15.023 6.450 -23.647 573 2HG LYS 73 HG1 LYS 73 -15.309 6.067 -21.953 574 1HD LYS 73 HD2 LYS 73 -13.144 5.561 -21.602 575 2HD LYS 73 HD1 LYS 73 -13.056 4.557 -23.046 576 1HE LYS 73 HE2 LYS 73 -13.046 7.565 -23.237 577 2HE LYS 73 HE1 LYS 73 -11.566 6.672 -22.914 578 1HZ LYS 73 HZ1 LYS 73 -13.327 6.109 -25.238 579 2HZ LYS 73 HZ3 LYS 73 -11.998 7.179 -25.302 580 3HZ LYS 73 HZ2 LYS 73 -11.746 5.530 -24.960 581 H HIS 74 HN HIS 74 -15.964 2.325 -23.983 582 HA HIS 74 HA HIS 74 -18.285 0.967 -25.102 583 1HB HIS 74 HB2 HIS 74 -15.474 0.115 -24.388 584 2HB HIS 74 HB1 HIS 74 -16.714 -1.065 -24.793 585 HD1 HIS 74 HD1 HIS 74 -14.579 1.581 -26.308 586 HD2 HIS 74 HD2 HIS 74 -17.494 -1.097 -27.517 587 HE1 HIS 74 HE1 HIS 74 -14.510 1.628 -28.813 588 H VAL 75 HN VAL 75 -19.898 0.869 -23.594 589 HA VAL 75 HA VAL 75 -19.285 -0.182 -20.897 590 HB VAL 75 HB VAL 75 -21.780 1.184 -21.938 591 1HG1 VAL 75 HG12 VAL 75 -21.005 0.074 -19.267 592 2HG1 VAL 75 HG11 VAL 75 -22.074 1.475 -19.357 593 3HG1 VAL 75 HG13 VAL 75 -22.543 -0.042 -20.131 594 1HG2 VAL 75 HG21 VAL 75 -19.620 2.580 -21.758 595 2HG2 VAL 75 HG23 VAL 75 -21.081 3.193 -20.987 596 3HG2 VAL 75 HG22 VAL 75 -19.832 2.412 -20.016 597 H PHE 76 HN PHE 76 -20.611 -1.898 -20.056 598 HA PHE 76 HA PHE 76 -22.385 -3.284 -21.897 599 1HB PHE 76 HB2 PHE 76 -21.311 -5.457 -21.647 600 2HB PHE 76 HB1 PHE 76 -20.246 -4.315 -22.444 601 HD1 PHE 76 HD1 PHE 76 -18.209 -3.529 -21.361 602 HD2 PHE 76 HD2 PHE 76 -20.811 -6.313 -19.435 603 HE1 PHE 76 HE1 PHE 76 -16.420 -4.102 -19.770 604 HE2 PHE 76 HE2 PHE 76 -19.022 -6.880 -17.841 605 HZ PHE 76 HZ PHE 76 -16.830 -5.783 -18.011 606 H LYS 77 HN LYS 77 -23.968 -4.321 -20.932 607 HA LYS 77 HA LYS 77 -24.420 -3.836 -18.108 608 1HB LYS 77 HB2 LYS 77 -26.069 -3.796 -20.223 609 2HB LYS 77 HB1 LYS 77 -26.280 -5.483 -19.777 610 1HG LYS 77 HG2 LYS 77 -27.610 -4.943 -18.067 611 2HG LYS 77 HG1 LYS 77 -26.437 -3.792 -17.434 612 1HD LYS 77 HD2 LYS 77 -27.243 -2.093 -19.037 613 2HD LYS 77 HD1 LYS 77 -28.423 -3.244 -19.656 614 1HE LYS 77 HE2 LYS 77 -28.338 -2.430 -16.749 615 2HE LYS 77 HE1 LYS 77 -29.249 -1.521 -17.952 616 1HZ LYS 77 HZ1 LYS 77 -29.631 -4.433 -17.556 617 2HZ LYS 77 HZ3 LYS 77 -30.493 -3.271 -16.663 618 3HZ LYS 77 HZ2 LYS 77 -30.653 -3.331 -18.365 619 H LEU 78 HN LEU 78 -24.550 -5.387 -16.517 620 HA LEU 78 HA LEU 78 -24.042 -8.198 -17.245 621 1HB LEU 78 HB2 LEU 78 -22.069 -6.546 -16.183 622 2HB LEU 78 HB1 LEU 78 -22.673 -7.410 -14.782 623 HG LEU 78 HG LEU 78 -21.358 -8.491 -17.247 624 1HD1 LEU 78 HD21 LEU 78 -19.987 -7.955 -15.293 625 2HD1 LEU 78 HD23 LEU 78 -20.992 -9.008 -14.296 626 3HD1 LEU 78 HD22 LEU 78 -20.012 -9.695 -15.586 627 1HD2 LEU 78 HD11 LEU 78 -23.417 -9.853 -15.592 628 2HD2 LEU 78 HD13 LEU 78 -23.001 -10.076 -17.297 629 3HD2 LEU 78 HD12 LEU 78 -21.989 -10.780 -16.040 630 H ARG 79 HN ARG 79 -25.745 -9.260 -16.526 631 HA ARG 79 HA ARG 79 -26.994 -8.530 -13.930 632 1HB ARG 79 HB2 ARG 79 -28.472 -8.402 -15.943 633 2HB ARG 79 HB1 ARG 79 -28.167 -10.109 -16.241 634 1HG ARG 79 HG2 ARG 79 -29.658 -10.751 -14.687 635 2HG ARG 79 HG1 ARG 79 -29.007 -9.625 -13.498 636 1HD ARG 79 HD2 ARG 79 -30.271 -7.822 -14.942 637 2HD ARG 79 HD1 ARG 79 -31.205 -9.215 -15.491 638 HE ARG 79 HE ARG 79 -31.019 -9.247 -12.655 639 1HH1 ARG 79 HH21 ARG 79 -31.723 -6.318 -13.794 640 2HH1 ARG 79 HH22 ARG 79 -33.451 -6.331 -13.534 641 1HH2 ARG 79 HH11 ARG 79 -33.593 -9.817 -12.972 642 2HH2 ARG 79 HH12 ARG 79 -34.528 -8.344 -13.075 643 H LEU 80 HN LEU 80 -26.042 -9.805 -12.411 644 HA LEU 80 HA LEU 80 -25.264 -12.520 -13.116 645 1HB LEU 80 HB2 LEU 80 -24.277 -12.245 -10.625 646 2HB LEU 80 HB1 LEU 80 -23.445 -11.809 -12.089 647 HG LEU 80 HG LEU 80 -24.152 -9.490 -11.867 648 1HD1 LEU 80 HD12 LEU 80 -26.202 -10.262 -10.502 649 2HD1 LEU 80 HD11 LEU 80 -25.122 -10.134 -9.117 650 3HD1 LEU 80 HD13 LEU 80 -25.444 -8.719 -10.114 651 1HD2 LEU 80 HD21 LEU 80 -22.326 -10.902 -10.160 652 2HD2 LEU 80 HD23 LEU 80 -22.200 -9.279 -10.844 653 3HD2 LEU 80 HD22 LEU 80 -23.014 -9.523 -9.303 654 H SER 81 HN SER 81 -25.537 -14.258 -11.605 655 HA SER 81 HA SER 81 -28.265 -14.679 -10.967 656 1HB SER 81 HB2 SER 81 -26.917 -16.734 -9.742 657 2HB SER 81 HB1 SER 81 -27.407 -16.699 -11.430 658 HG SER 81 HG SER 81 -25.363 -16.790 -11.910 659 H ASP 82 HN ASP 82 -26.028 -12.914 -9.243 660 HA ASP 82 HA ASP 82 -26.694 -13.781 -6.555 661 1HB ASP 82 HB2 ASP 82 -24.527 -12.625 -7.251 662 2HB ASP 82 HB1 ASP 82 -25.458 -11.131 -7.337 663 H GLY 83 HN GLY 83 -28.312 -11.996 -8.904 664 1HA GLY 83 HA2 GLY 83 -30.492 -11.159 -8.770 665 2HA GLY 83 HA1 GLY 83 -30.362 -11.141 -7.014 666 H ASN 84 HN ASN 84 -28.197 -9.695 -9.449 667 HA ASN 84 HA ASN 84 -29.055 -6.973 -8.813 668 1HB ASN 84 HB2 ASN 84 -26.311 -8.076 -8.153 669 2HB ASN 84 HB1 ASN 84 -26.546 -6.368 -8.516 670 1HD2 ASN 84 HD22 ASN 84 -26.838 -7.189 -4.804 671 2HD2 ASN 84 HD21 ASN 84 -25.731 -7.736 -6.017 672 H GLU 85 HN GLU 85 -28.027 -5.417 -10.306 673 HA GLU 85 HA GLU 85 -26.820 -6.571 -12.718 674 1HB GLU 85 HB2 GLU 85 -28.666 -6.301 -14.003 675 2HB GLU 85 HB1 GLU 85 -29.558 -5.802 -12.577 676 1HG GLU 85 HG2 GLU 85 -28.867 -3.457 -12.976 677 2HG GLU 85 HG1 GLU 85 -28.015 -3.981 -14.429 678 H TYR 86 HN TYR 86 -25.231 -5.349 -13.536 679 HA TYR 86 HA TYR 86 -24.934 -2.552 -12.590 680 1HB TYR 86 HB2 TYR 86 -22.646 -4.511 -12.822 681 2HB TYR 86 HB1 TYR 86 -22.616 -2.901 -12.119 682 HD1 TYR 86 HD1 TYR 86 -23.778 -2.471 -9.937 683 HD2 TYR 86 HD2 TYR 86 -23.251 -6.400 -11.536 684 HE1 TYR 86 HE1 TYR 86 -24.261 -3.443 -7.728 685 HE2 TYR 86 HE2 TYR 86 -23.724 -7.363 -9.323 686 HH TYR 86 HH TYR 86 -23.911 -6.874 -7.081 687 H LEU 87 HN LEU 87 -23.240 -1.391 -13.810 688 HA LEU 87 HA LEU 87 -23.145 -2.129 -16.686 689 1HB LEU 87 HB2 LEU 87 -22.972 0.660 -15.503 690 2HB LEU 87 HB1 LEU 87 -23.005 0.236 -17.211 691 HG LEU 87 HG LEU 87 -25.237 -0.021 -15.209 692 1HD1 LEU 87 HD12 LEU 87 -24.516 1.880 -17.340 693 2HD1 LEU 87 HD11 LEU 87 -26.203 1.364 -17.346 694 3HD1 LEU 87 HD13 LEU 87 -25.514 2.109 -15.901 695 1HD2 LEU 87 HD23 LEU 87 -24.860 -1.304 -17.865 696 2HD2 LEU 87 HD22 LEU 87 -25.731 -1.879 -16.443 697 3HD2 LEU 87 HD21 LEU 87 -26.457 -0.663 -17.491 698 H PHE 88 HN PHE 88 -21.107 -2.482 -17.421 699 HA PHE 88 HA PHE 88 -18.841 -1.521 -15.779 700 1HB PHE 88 HB2 PHE 88 -19.235 -4.085 -17.278 701 2HB PHE 88 HB1 PHE 88 -17.632 -3.520 -16.829 702 HD1 PHE 88 HD1 PHE 88 -17.147 -3.098 -14.368 703 HD2 PHE 88 HD2 PHE 88 -20.594 -5.206 -15.726 704 HE1 PHE 88 HE1 PHE 88 -17.413 -4.085 -12.133 705 HE2 PHE 88 HE2 PHE 88 -20.862 -6.205 -13.486 706 HZ PHE 88 HZ PHE 88 -19.278 -5.643 -11.691 707 H GLN 89 HN GLN 89 -17.488 -0.148 -16.751 708 HA GLN 89 HA GLN 89 -17.634 0.153 -19.689 709 1HB GLN 89 HB2 GLN 89 -18.109 2.144 -18.166 710 2HB GLN 89 HB1 GLN 89 -16.394 2.123 -17.775 711 1HG GLN 89 HG2 GLN 89 -16.042 2.161 -20.359 712 2HG GLN 89 HG1 GLN 89 -17.717 2.682 -20.424 713 1HE2 GLN 89 HE22 GLN 89 -14.923 5.162 -18.700 714 2HE2 GLN 89 HE21 GLN 89 -14.696 3.437 -18.697 715 H ALA 90 HN ALA 90 -16.034 -0.484 -20.897 716 HA ALA 90 HA ALA 90 -13.458 -1.278 -19.704 717 1HB ALA 90 HB3 ALA 90 -14.914 -1.949 -22.251 718 2HB ALA 90 HB2 ALA 90 -13.179 -2.231 -22.112 719 3HB ALA 90 HB1 ALA 90 -14.291 -3.034 -21.006 720 H LYS 91 HN LYS 91 -11.467 -0.733 -20.992 721 HA LYS 91 HA LYS 91 -11.539 2.099 -21.715 722 1HB LYS 91 HB2 LYS 91 -9.156 2.044 -21.650 723 2HB LYS 91 HB1 LYS 91 -9.748 1.146 -20.261 724 1HG LYS 91 HG2 LYS 91 -9.449 -0.945 -21.804 725 2HG LYS 91 HG1 LYS 91 -8.403 0.118 -22.745 726 1HD LYS 91 HD2 LYS 91 -7.256 0.641 -20.491 727 2HD LYS 91 HD1 LYS 91 -8.087 -0.787 -19.888 728 1HE LYS 91 HE2 LYS 91 -6.259 -0.771 -22.304 729 2HE LYS 91 HE1 LYS 91 -5.740 -1.207 -20.679 730 1HZ LYS 91 HZ1 LYS 91 -7.849 -2.797 -20.953 731 2HZ LYS 91 HZ3 LYS 91 -7.346 -2.710 -22.579 732 3HZ LYS 91 HZ2 LYS 91 -6.262 -3.255 -21.377 733 H ASP 92 HN ASP 92 -10.936 -0.982 -23.321 734 HA ASP 92 HA ASP 92 -11.077 0.382 -25.951 735 1HB ASP 92 HB2 ASP 92 -8.741 -0.372 -25.326 736 2HB ASP 92 HB1 ASP 92 -9.342 -2.030 -25.344 737 H ASP 93 HN ASP 93 -11.911 -0.955 -27.695 738 HA ASP 93 HA ASP 93 -14.208 -2.464 -26.944 739 1HB ASP 93 HB2 ASP 93 -14.725 -2.648 -29.219 740 2HB ASP 93 HB1 ASP 93 -13.854 -1.129 -29.116 741 H GLU 94 HN GLU 94 -10.917 -3.367 -27.718 742 HA GLU 94 HA GLU 94 -11.282 -6.165 -28.143 743 1HB GLU 94 HB2 GLU 94 -8.983 -4.433 -27.261 744 2HB GLU 94 HB1 GLU 94 -8.832 -6.178 -27.202 745 1HG GLU 94 HG2 GLU 94 -9.808 -4.866 -29.718 746 2HG GLU 94 HG1 GLU 94 -8.086 -4.861 -29.349 747 H GLU 95 HN GLU 95 -10.634 -4.204 -25.280 748 HA GLU 95 HA GLU 95 -10.501 -6.239 -23.314 749 1HB GLU 95 HB2 GLU 95 -9.999 -3.630 -23.275 750 2HB GLU 95 HB1 GLU 95 -11.652 -3.544 -22.699 751 1HG GLU 95 HG2 GLU 95 -11.072 -5.152 -20.892 752 2HG GLU 95 HG1 GLU 95 -9.397 -5.113 -21.440 753 H MET 96 HN MET 96 -13.133 -4.133 -24.382 754 HA MET 96 HA MET 96 -15.224 -5.024 -22.762 755 1HB MET 96 HB2 MET 96 -15.188 -3.049 -24.374 756 2HB MET 96 HB1 MET 96 -15.559 -4.203 -25.650 757 1HG MET 96 HG2 MET 96 -17.488 -4.882 -23.911 758 2HG MET 96 HG1 MET 96 -17.265 -3.210 -23.423 759 1HE MET 96 HE3 MET 96 -17.651 -5.595 -26.329 760 2HE MET 96 HE2 MET 96 -18.702 -4.771 -27.478 761 3HE MET 96 HE1 MET 96 -16.984 -4.384 -27.435 762 H ASN 97 HN ASN 97 -14.223 -6.268 -25.958 763 HA ASN 97 HA ASN 97 -16.226 -8.262 -26.208 764 1HB ASN 97 HB2 ASN 97 -14.584 -7.306 -27.991 765 2HB ASN 97 HB1 ASN 97 -13.468 -8.534 -27.405 766 1HD2 ASN 97 HD22 ASN 97 -14.939 -10.508 -29.948 767 2HD2 ASN 97 HD21 ASN 97 -13.565 -9.551 -29.470 768 H THR 98 HN THR 98 -12.923 -8.366 -24.890 769 HA THR 98 HA THR 98 -12.818 -11.142 -24.343 770 HB THR 98 HB THR 98 -11.383 -9.035 -22.727 771 HG1 THR 98 HG1 THR 98 -10.927 -8.409 -24.772 772 1HG2 THR 98 HG21 THR 98 -10.634 -11.833 -23.608 773 2HG2 THR 98 HG23 THR 98 -9.592 -10.739 -22.699 774 3HG2 THR 98 HG22 THR 98 -11.087 -11.336 -21.974 775 H TRP 99 HN TRP 99 -14.007 -8.402 -22.430 776 HA TRP 99 HA TRP 99 -14.443 -9.824 -19.997 777 1HB TRP 99 HB2 TRP 99 -15.427 -7.214 -21.121 778 2HB TRP 99 HB1 TRP 99 -16.137 -7.855 -19.645 779 HD1 TRP 99 HD1 TRP 99 -13.486 -5.559 -20.633 780 HE1 TRP 99 HE1 TRP 99 -11.769 -5.283 -18.768 781 HE3 TRP 99 HE3 TRP 99 -14.755 -9.526 -17.647 782 HZ2 TRP 99 HZ2 TRP 99 -11.020 -6.522 -16.371 783 HZ3 TRP 99 HZ3 TRP 99 -13.500 -9.912 -15.571 784 HH2 TRP 99 HH2 TRP 99 -11.643 -8.425 -14.932 785 H ILE 100 HN ILE 100 -16.703 -8.870 -22.611 786 HA ILE 100 HA ILE 100 -19.020 -10.075 -21.579 787 HB ILE 100 HB ILE 100 -18.172 -9.485 -24.416 788 1HG1 ILE 100 HG12 ILE 100 -20.141 -8.123 -22.565 789 2HG1 ILE 100 HG11 ILE 100 -18.506 -7.562 -22.887 790 1HG2 ILE 100 HG23 ILE 100 -20.703 -10.714 -23.380 791 2HG2 ILE 100 HG22 ILE 100 -20.768 -9.629 -24.768 792 3HG2 ILE 100 HG21 ILE 100 -19.790 -11.094 -24.841 793 1HD1 ILE 100 HD13 ILE 100 -19.262 -7.602 -25.395 794 2HD1 ILE 100 HD12 ILE 100 -20.895 -7.576 -24.716 795 3HD1 ILE 100 HD11 ILE 100 -19.764 -6.265 -24.356 796 H GLN 101 HN GLN 101 -16.475 -11.430 -23.648 797 HA GLN 101 HA GLN 101 -17.705 -13.984 -24.037 798 1HB GLN 101 HB2 GLN 101 -14.827 -13.081 -24.279 799 2HB GLN 101 HB1 GLN 101 -15.405 -14.675 -24.757 800 1HG GLN 101 HG2 GLN 101 -16.816 -12.270 -25.854 801 2HG GLN 101 HG1 GLN 101 -15.232 -12.677 -26.508 802 1HE2 GLN 101 HE22 GLN 101 -16.401 -15.373 -28.395 803 2HE2 GLN 101 HE21 GLN 101 -15.090 -14.314 -27.959 804 H ALA 102 HN ALA 102 -15.185 -12.823 -21.798 805 HA ALA 102 HA ALA 102 -14.701 -15.288 -20.489 806 1HB ALA 102 HB3 ALA 102 -14.378 -12.440 -19.501 807 2HB ALA 102 HB2 ALA 102 -13.745 -13.868 -18.676 808 3HB ALA 102 HB1 ALA 102 -13.145 -13.442 -20.280 809 H ILE 103 HN ILE 103 -17.152 -12.824 -20.044 810 HA ILE 103 HA ILE 103 -18.139 -13.763 -17.517 811 HB ILE 103 HB ILE 103 -19.146 -11.854 -19.611 812 1HG1 ILE 103 HG12 ILE 103 -18.689 -11.234 -16.721 813 2HG1 ILE 103 HG11 ILE 103 -17.296 -11.442 -17.774 814 1HG2 ILE 103 HG22 ILE 103 -20.621 -12.823 -17.169 815 2HG2 ILE 103 HG21 ILE 103 -20.951 -11.263 -17.920 816 3HG2 ILE 103 HG23 ILE 103 -21.198 -12.749 -18.832 817 1HD1 ILE 103 HD11 ILE 103 -18.787 -9.765 -19.295 818 2HD1 ILE 103 HD13 ILE 103 -19.295 -9.262 -17.686 819 3HD1 ILE 103 HD12 ILE 103 -17.590 -9.208 -18.126 820 H SER 104 HN SER 104 -19.004 -14.332 -20.929 821 HA SER 104 HA SER 104 -21.373 -15.838 -20.481 822 1HB SER 104 HB2 SER 104 -19.387 -15.804 -22.764 823 2HB SER 104 HB1 SER 104 -20.872 -16.750 -22.789 824 HG SER 104 HG SER 104 -22.053 -14.802 -22.511 825 H SER 105 HN SER 105 -17.960 -16.729 -20.655 826 HA SER 105 HA SER 105 -18.387 -19.573 -20.462 827 1HB SER 105 HB2 SER 105 -15.870 -17.976 -19.924 828 2HB SER 105 HB1 SER 105 -15.978 -19.707 -20.245 829 HG SER 105 HG SER 105 -15.474 -18.833 -22.188 830 H ALA 106 HN ALA 106 -17.369 -16.995 -18.239 831 HA ALA 106 HA ALA 106 -17.398 -16.755 -15.982 832 1HB ALA 106 HB3 ALA 106 -19.780 -17.529 -16.352 833 2HB ALA 106 HB2 ALA 106 -19.250 -19.136 -15.863 834 3HB ALA 106 HB1 ALA 106 -19.130 -17.789 -14.736 No H/Q in entry = 834 Start of MODEL 42 1 1H MET 1 HT2 MET 1 -9.112 -13.088 -15.818 2 2H MET 1 HT1 MET 1 -9.944 -13.456 -17.257 3 3H MET 1 HT3 MET 1 -8.285 -13.812 -17.120 4 HA MET 1 HA MET 1 -7.641 -11.767 -17.639 5 1HB MET 1 HB2 MET 1 -10.404 -12.048 -18.672 6 2HB MET 1 HB1 MET 1 -9.790 -10.398 -18.628 7 1HG MET 1 HG2 MET 1 -9.143 -11.155 -20.737 8 2HG MET 1 HG1 MET 1 -7.689 -11.340 -19.773 9 1HE MET 1 HE3 MET 1 -7.503 -12.554 -22.264 10 2HE MET 1 HE2 MET 1 -6.398 -13.428 -21.208 11 3HE MET 1 HE1 MET 1 -7.486 -14.323 -22.265 12 H GLU 2 HN GLU 2 -7.094 -11.021 -15.610 13 HA GLU 2 HA GLU 2 -9.001 -9.537 -14.001 14 1HB GLU 2 HB2 GLU 2 -6.172 -10.496 -13.663 15 2HB GLU 2 HB1 GLU 2 -6.934 -9.431 -12.527 16 1HG GLU 2 HG2 GLU 2 -7.134 -11.706 -11.723 17 2HG GLU 2 HG1 GLU 2 -8.717 -11.098 -12.165 18 H GLY 3 HN GLY 3 -8.910 -7.351 -13.702 19 1HA GLY 3 HA2 GLY 3 -6.772 -5.637 -14.126 20 2HA GLY 3 HA1 GLY 3 -7.636 -5.691 -15.628 21 H PHE 4 HN PHE 4 -7.780 -3.348 -14.996 22 HA PHE 4 HA PHE 4 -9.692 -2.630 -12.937 23 1HB PHE 4 HB2 PHE 4 -8.133 -1.074 -14.994 24 2HB PHE 4 HB1 PHE 4 -9.370 -0.310 -14.003 25 HD1 PHE 4 HD1 PHE 4 -9.157 -0.720 -11.408 26 HD2 PHE 4 HD2 PHE 4 -5.967 -1.139 -14.223 27 HE1 PHE 4 HE1 PHE 4 -7.513 -0.440 -9.596 28 HE2 PHE 4 HE2 PHE 4 -4.333 -0.855 -12.408 29 HZ PHE 4 HZ PHE 4 -5.157 -0.507 -10.051 30 H LEU 5 HN LEU 5 -11.676 -1.741 -13.209 31 HA LEU 5 HA LEU 5 -12.928 -1.568 -15.845 32 1HB LEU 5 HB2 LEU 5 -13.489 -3.700 -13.853 33 2HB LEU 5 HB1 LEU 5 -14.909 -2.866 -14.467 34 HG LEU 5 HG LEU 5 -12.795 -4.180 -16.171 35 1HD1 LEU 5 HD12 LEU 5 -15.450 -5.106 -15.136 36 2HD1 LEU 5 HD11 LEU 5 -14.840 -5.709 -16.676 37 3HD1 LEU 5 HD13 LEU 5 -13.911 -5.966 -15.199 38 1HD2 LEU 5 HD23 LEU 5 -15.212 -2.553 -16.795 39 2HD2 LEU 5 HD22 LEU 5 -13.656 -2.634 -17.626 40 3HD2 LEU 5 HD21 LEU 5 -14.839 -3.926 -17.840 41 H ASN 6 HN ASN 6 -14.671 -0.152 -15.830 42 HA ASN 6 HA ASN 6 -14.944 1.556 -13.459 43 1HB ASN 6 HB2 ASN 6 -15.067 2.024 -16.256 44 2HB ASN 6 HB1 ASN 6 -16.685 2.302 -15.628 45 1HD2 ASN 6 HD22 ASN 6 -13.603 4.647 -14.289 46 2HD2 ASN 6 HD21 ASN 6 -13.295 3.042 -14.879 47 H ARG 7 HN ARG 7 -16.365 0.926 -11.966 48 HA ARG 7 HA ARG 7 -18.643 -0.765 -12.811 49 1HB ARG 7 HB2 ARG 7 -16.990 -1.678 -11.172 50 2HB ARG 7 HB1 ARG 7 -17.479 -0.423 -10.036 51 1HG ARG 7 HG2 ARG 7 -19.781 -1.284 -10.067 52 2HG ARG 7 HG1 ARG 7 -19.310 -2.517 -11.238 53 1HD ARG 7 HD2 ARG 7 -17.651 -3.369 -9.532 54 2HD ARG 7 HD1 ARG 7 -18.370 -2.253 -8.367 55 HE ARG 7 HE ARG 7 -19.937 -4.396 -9.721 56 1HH1 ARG 7 HH21 ARG 7 -21.240 -2.286 -7.852 57 2HH1 ARG 7 HH22 ARG 7 -21.428 -3.220 -6.393 58 1HH2 ARG 7 HH11 ARG 7 -19.130 -5.689 -7.356 59 2HH2 ARG 7 HH12 ARG 7 -20.222 -5.152 -6.118 60 H LYS 8 HN LYS 8 -20.635 -0.110 -12.607 61 HA LYS 8 HA LYS 8 -21.369 2.082 -10.777 62 1HB LYS 8 HB2 LYS 8 -21.044 3.093 -12.998 63 2HB LYS 8 HB1 LYS 8 -22.144 1.928 -13.707 64 1HG LYS 8 HG2 LYS 8 -23.549 3.111 -11.562 65 2HG LYS 8 HG1 LYS 8 -22.719 4.431 -12.374 66 1HD LYS 8 HD2 LYS 8 -24.348 4.441 -13.902 67 2HD LYS 8 HD1 LYS 8 -23.778 2.872 -14.452 68 1HE LYS 8 HE2 LYS 8 -26.002 2.419 -14.002 69 2HE LYS 8 HE1 LYS 8 -25.249 1.942 -12.485 70 1HZ LYS 8 HZ2 LYS 8 -26.426 4.623 -12.983 71 2HZ LYS 8 HZ1 LYS 8 -27.285 3.331 -12.273 72 3HZ LYS 8 HZ3 LYS 8 -25.915 3.975 -11.488 73 H HIS 9 HN HIS 9 -22.667 0.980 -9.431 74 HA HIS 9 HA HIS 9 -24.215 -1.286 -10.305 75 1HB HIS 9 HB2 HIS 9 -25.063 -1.308 -7.952 76 2HB HIS 9 HB1 HIS 9 -23.321 -1.425 -8.112 77 HD1 HIS 9 HD1 HIS 9 -24.042 -0.677 -5.448 78 HD2 HIS 9 HD2 HIS 9 -23.847 2.246 -8.382 79 HE1 HIS 9 HE1 HIS 9 -23.732 1.477 -4.210 80 H GLU 10 HN GLU 10 -26.317 -1.424 -10.779 81 HA GLU 10 HA GLU 10 -27.823 1.063 -11.113 82 1HB GLU 10 HB2 GLU 10 -27.904 -1.687 -12.279 83 2HB GLU 10 HB1 GLU 10 -29.414 -0.801 -12.194 84 1HG GLU 10 HG2 GLU 10 -26.923 0.413 -13.378 85 2HG GLU 10 HG1 GLU 10 -28.034 -0.554 -14.343 86 H TRP 11 HN TRP 11 -28.152 -2.147 -9.634 87 HA TRP 11 HA TRP 11 -29.805 -1.042 -7.518 88 1HB TRP 11 HB2 TRP 11 -31.612 -1.428 -8.941 89 2HB TRP 11 HB1 TRP 11 -30.860 -2.825 -9.679 90 HD1 TRP 11 HD1 TRP 11 -32.904 -1.870 -6.530 91 HE1 TRP 11 HE1 TRP 11 -33.864 -4.033 -5.552 92 HE3 TRP 11 HE3 TRP 11 -30.567 -5.296 -9.514 93 HZ2 TRP 11 HZ2 TRP 11 -33.675 -6.808 -5.965 94 HZ3 TRP 11 HZ3 TRP 11 -30.996 -7.691 -9.177 95 HH2 TRP 11 HH2 TRP 11 -32.532 -8.444 -7.420 96 H GLU 12 HN GLU 12 -29.783 -2.253 -5.719 97 HA GLU 12 HA GLU 12 -29.016 -4.948 -5.463 98 1HB GLU 12 HB2 GLU 12 -26.872 -4.536 -4.173 99 2HB GLU 12 HB1 GLU 12 -26.763 -4.349 -5.918 100 1HG GLU 12 HG2 GLU 12 -26.521 -2.042 -5.806 101 2HG GLU 12 HG1 GLU 12 -27.322 -1.928 -4.240 102 H ALA 13 HN ALA 13 -29.441 -1.770 -4.121 103 HA ALA 13 HA ALA 13 -30.037 -2.762 -1.427 104 1HB ALA 13 HB2 ALA 13 -28.738 -0.619 -1.847 105 2HB ALA 13 HB1 ALA 13 -30.243 0.080 -2.450 106 3HB ALA 13 HB3 ALA 13 -30.132 -0.461 -0.773 107 H HIS 14 HN HIS 14 -32.104 -1.934 -0.418 108 HA HIS 14 HA HIS 14 -34.341 -2.395 -2.300 109 1HB HIS 14 HB2 HIS 14 -34.111 -2.634 0.702 110 2HB HIS 14 HB1 HIS 14 -35.637 -2.769 -0.163 111 HD1 HIS 14 HD1 HIS 14 -32.321 -4.530 0.202 112 HD2 HIS 14 HD2 HIS 14 -36.070 -5.229 -1.407 113 HE1 HIS 14 HE1 HIS 14 -32.306 -6.947 -0.444 114 H ASN 15 HN ASN 15 -34.763 -0.459 -3.191 115 HA ASN 15 HA ASN 15 -36.318 1.433 -1.741 116 1HB ASN 15 HB2 ASN 15 -33.991 2.148 -1.040 117 2HB ASN 15 HB1 ASN 15 -33.643 2.484 -2.731 118 1HD2 ASN 15 HD22 ASN 15 -36.257 4.883 -0.650 119 2HD2 ASN 15 HD21 ASN 15 -35.925 3.259 -0.127 120 H LYS 16 HN LYS 16 -34.069 1.765 -4.488 121 HA LYS 16 HA LYS 16 -36.136 1.376 -6.463 122 1HB LYS 16 HB2 LYS 16 -36.321 3.822 -5.618 123 2HB LYS 16 HB1 LYS 16 -34.810 4.084 -6.483 124 1HG LYS 16 HG2 LYS 16 -36.468 4.678 -8.037 125 2HG LYS 16 HG1 LYS 16 -36.007 3.047 -8.516 126 1HD LYS 16 HD2 LYS 16 -38.052 2.645 -6.666 127 2HD LYS 16 HD1 LYS 16 -38.577 4.057 -7.571 128 1HE LYS 16 HE2 LYS 16 -39.461 2.153 -8.700 129 2HE LYS 16 HE1 LYS 16 -38.134 2.756 -9.688 130 1HZ LYS 16 HZ2 LYS 16 -37.617 0.652 -7.697 131 2HZ LYS 16 HZ1 LYS 16 -38.343 0.238 -9.177 132 3HZ LYS 16 HZ3 LYS 16 -36.813 0.976 -9.172 133 H LYS 17 HN LYS 17 -32.952 2.911 -5.995 134 HA LYS 17 HA LYS 17 -31.630 0.931 -7.654 135 1HB LYS 17 HB2 LYS 17 -30.664 2.731 -9.183 136 2HB LYS 17 HB1 LYS 17 -32.331 2.265 -9.478 137 1HG LYS 17 HG2 LYS 17 -33.165 4.288 -8.844 138 2HG LYS 17 HG1 LYS 17 -31.922 4.548 -7.624 139 1HD LYS 17 HD2 LYS 17 -31.663 6.152 -9.442 140 2HD LYS 17 HD1 LYS 17 -30.286 5.063 -9.388 141 1HE LYS 17 HE2 LYS 17 -32.531 4.213 -11.139 142 2HE LYS 17 HE1 LYS 17 -31.665 5.654 -11.651 143 1HZ LYS 17 HZ3 LYS 17 -29.652 3.986 -11.018 144 2HZ LYS 17 HZ2 LYS 17 -30.813 2.905 -11.648 145 3HZ LYS 17 HZ1 LYS 17 -30.276 4.213 -12.589 146 H ALA 18 HN ALA 18 -29.224 1.765 -7.963 147 HA ALA 18 HA ALA 18 -28.342 2.800 -5.328 148 1HB ALA 18 HB2 ALA 18 -27.780 0.421 -5.830 149 2HB ALA 18 HB1 ALA 18 -26.820 0.983 -7.202 150 3HB ALA 18 HB3 ALA 18 -26.373 1.444 -5.557 151 H SER 19 HN SER 19 -28.041 4.932 -5.683 152 HA SER 19 HA SER 19 -26.352 5.775 -7.979 153 1HB SER 19 HB2 SER 19 -28.227 7.439 -6.282 154 2HB SER 19 HB1 SER 19 -27.347 7.979 -7.711 155 HG SER 19 HG SER 19 -29.721 7.129 -7.803 156 H SER 20 HN SER 20 -25.433 4.628 -5.394 157 HA SER 20 HA SER 20 -24.211 6.847 -3.964 158 1HB SER 20 HB2 SER 20 -23.212 4.222 -3.210 159 2HB SER 20 HB1 SER 20 -24.088 5.408 -2.253 160 HG SER 20 HG SER 20 -25.080 3.203 -2.742 161 H ARG 21 HN ARG 21 -22.862 3.856 -5.381 162 HA ARG 21 HA ARG 21 -20.315 5.238 -5.897 163 1HB ARG 21 HB2 ARG 21 -21.059 2.309 -6.134 164 2HB ARG 21 HB1 ARG 21 -19.448 2.978 -6.353 165 1HG ARG 21 HG2 ARG 21 -20.823 3.616 -3.789 166 2HG ARG 21 HG1 ARG 21 -20.305 1.952 -4.015 167 1HD ARG 21 HD2 ARG 21 -18.282 2.596 -3.294 168 2HD ARG 21 HD1 ARG 21 -18.092 3.434 -4.833 169 HE ARG 21 HE ARG 21 -19.505 5.039 -2.905 170 1HH1 ARG 21 HH21 ARG 21 -16.702 3.786 -1.906 171 2HH1 ARG 21 HH22 ARG 21 -15.689 5.195 -2.113 172 1HH2 ARG 21 HH11 ARG 21 -18.060 6.944 -4.061 173 2HH2 ARG 21 HH12 ARG 21 -16.473 7.005 -3.337 174 H SER 22 HN SER 22 -21.802 6.449 -7.500 175 HA SER 22 HA SER 22 -22.501 5.152 -9.963 176 1HB SER 22 HB2 SER 22 -22.446 7.853 -10.537 177 2HB SER 22 HB1 SER 22 -23.829 6.966 -9.906 178 HG SER 22 HG SER 22 -23.549 8.645 -8.501 179 H TRP 23 HN TRP 23 -20.891 4.305 -11.106 180 HA TRP 23 HA TRP 23 -19.055 4.051 -12.393 181 1HB TRP 23 HB2 TRP 23 -19.494 7.022 -12.692 182 2HB TRP 23 HB1 TRP 23 -18.175 6.196 -13.515 183 HD1 TRP 23 HD1 TRP 23 -21.610 7.217 -14.228 184 HE1 TRP 23 HE1 TRP 23 -22.651 5.759 -16.057 185 HE3 TRP 23 HE3 TRP 23 -18.236 3.395 -14.307 186 HZ2 TRP 23 HZ2 TRP 23 -22.124 3.306 -17.379 187 HZ3 TRP 23 HZ3 TRP 23 -18.535 1.530 -15.856 188 HH2 TRP 23 HH2 TRP 23 -20.463 1.473 -17.394 189 H HIS 24 HN HIS 24 -17.988 3.272 -10.580 190 HA HIS 24 HA HIS 24 -15.854 5.004 -9.481 191 1HB HIS 24 HB2 HIS 24 -17.599 4.019 -7.909 192 2HB HIS 24 HB1 HIS 24 -16.957 2.434 -8.318 193 HD1 HIS 24 HD1 HIS 24 -16.315 5.392 -6.227 194 HD2 HIS 24 HD2 HIS 24 -14.302 1.958 -7.352 195 HE1 HIS 24 HE1 HIS 24 -14.382 5.224 -4.640 196 H ASN 25 HN ASN 25 -13.784 4.424 -9.873 197 HA ASN 25 HA ASN 25 -13.171 2.309 -11.751 198 1HB ASN 25 HB2 ASN 25 -11.999 4.549 -11.598 199 2HB ASN 25 HB1 ASN 25 -11.257 3.997 -10.100 200 1HD2 ASN 25 HD22 ASN 25 -8.834 2.010 -11.672 201 2HD2 ASN 25 HD21 ASN 25 -9.592 2.498 -10.192 202 H VAL 26 HN VAL 26 -13.208 0.243 -11.066 203 HA VAL 26 HA VAL 26 -11.863 -0.473 -8.529 204 HB VAL 26 HB VAL 26 -14.437 -0.383 -8.472 205 1HG1 VAL 26 HG12 VAL 26 -14.687 -1.563 -10.693 206 2HG1 VAL 26 HG11 VAL 26 -14.225 -3.049 -9.858 207 3HG1 VAL 26 HG13 VAL 26 -15.679 -2.181 -9.374 208 1HG2 VAL 26 HG23 VAL 26 -12.817 -1.643 -6.900 209 2HG2 VAL 26 HG22 VAL 26 -14.536 -2.034 -6.858 210 3HG2 VAL 26 HG21 VAL 26 -13.415 -3.089 -7.719 211 H TYR 27 HN TYR 27 -11.412 -2.864 -8.440 212 HA TYR 27 HA TYR 27 -10.394 -3.802 -11.052 213 1HB TYR 27 HB2 TYR 27 -8.909 -3.448 -8.932 214 2HB TYR 27 HB1 TYR 27 -9.604 -4.968 -8.397 215 HD1 TYR 27 HD1 TYR 27 -7.692 -3.383 -11.172 216 HD2 TYR 27 HD2 TYR 27 -8.776 -7.008 -9.193 217 HE1 TYR 27 HE1 TYR 27 -6.054 -4.625 -12.542 218 HE2 TYR 27 HE2 TYR 27 -7.130 -8.239 -10.548 219 HH TYR 27 HH TYR 27 -5.513 -6.759 -13.276 220 H CYS 28 HN CYS 28 -11.029 -5.734 -11.868 221 HA CYS 28 HA CYS 28 -12.945 -7.365 -10.289 222 1HB CYS 28 HB2 CYS 28 -13.085 -6.668 -13.229 223 2HB CYS 28 HB1 CYS 28 -14.144 -7.810 -12.408 224 HG CYS 28 HG CYS 28 -14.224 -5.077 -11.100 225 H VAL 29 HN VAL 29 -12.669 -9.499 -10.328 226 HA VAL 29 HA VAL 29 -10.644 -10.704 -12.117 227 HB VAL 29 HB VAL 29 -10.973 -11.085 -9.126 228 1HG1 VAL 29 HG12 VAL 29 -9.539 -12.733 -11.153 229 2HG1 VAL 29 HG11 VAL 29 -8.785 -12.501 -9.576 230 3HG1 VAL 29 HG13 VAL 29 -10.390 -13.226 -9.691 231 1HG2 VAL 29 HG23 VAL 29 -9.119 -9.518 -10.788 232 2HG2 VAL 29 HG22 VAL 29 -9.560 -9.339 -9.090 233 3HG2 VAL 29 HG21 VAL 29 -8.339 -10.519 -9.564 234 H ILE 30 HN ILE 30 -11.099 -12.827 -12.768 235 HA ILE 30 HA ILE 30 -13.756 -13.898 -11.960 236 HB ILE 30 HB ILE 30 -12.440 -14.366 -14.638 237 1HG1 ILE 30 HG12 ILE 30 -14.536 -12.304 -13.917 238 2HG1 ILE 30 HG11 ILE 30 -12.883 -11.966 -14.421 239 1HG2 ILE 30 HG21 ILE 30 -15.258 -14.758 -13.606 240 2HG2 ILE 30 HG23 ILE 30 -14.745 -15.025 -15.275 241 3HG2 ILE 30 HG22 ILE 30 -14.092 -16.030 -13.978 242 1HD1 ILE 30 HD12 ILE 30 -14.581 -13.624 -16.236 243 2HD1 ILE 30 HD11 ILE 30 -14.896 -11.891 -16.150 244 3HD1 ILE 30 HD13 ILE 30 -13.301 -12.474 -16.627 245 H ASN 31 HN ASN 31 -13.563 -15.677 -10.797 246 HA ASN 31 HA ASN 31 -11.283 -17.520 -11.254 247 1HB ASN 31 HB2 ASN 31 -11.324 -16.342 -9.021 248 2HB ASN 31 HB1 ASN 31 -12.850 -17.153 -8.677 249 1HD2 ASN 31 HD22 ASN 31 -11.090 -19.835 -7.307 250 2HD2 ASN 31 HD21 ASN 31 -12.368 -18.666 -7.180 251 H ASN 32 HN ASN 32 -12.474 -18.569 -12.901 252 HA ASN 32 HA ASN 32 -13.672 -20.328 -13.713 253 1HB ASN 32 HB2 ASN 32 -13.050 -21.306 -11.375 254 2HB ASN 32 HB1 ASN 32 -14.732 -21.000 -10.967 255 1HD2 ASN 32 HD22 ASN 32 -14.212 -24.463 -12.425 256 2HD2 ASN 32 HD21 ASN 32 -13.359 -23.551 -11.208 257 H GLN 33 HN GLN 33 -15.951 -19.818 -11.069 258 HA GLN 33 HA GLN 33 -17.827 -18.490 -12.944 259 1HB GLN 33 HB2 GLN 33 -18.622 -20.463 -10.800 260 2HB GLN 33 HB1 GLN 33 -19.658 -19.732 -12.024 261 1HG GLN 33 HG2 GLN 33 -18.213 -20.862 -13.770 262 2HG GLN 33 HG1 GLN 33 -17.438 -21.742 -12.455 263 1HE2 GLN 33 HE22 GLN 33 -21.042 -22.896 -13.838 264 2HE2 GLN 33 HE21 GLN 33 -20.142 -21.578 -14.529 265 H GLU 34 HN GLU 34 -16.056 -18.121 -10.164 266 HA GLU 34 HA GLU 34 -18.008 -16.315 -8.879 267 1HB GLU 34 HB2 GLU 34 -16.259 -18.315 -7.816 268 2HB GLU 34 HB1 GLU 34 -15.668 -16.755 -7.267 269 1HG GLU 34 HG2 GLU 34 -17.195 -17.095 -5.606 270 2HG GLU 34 HG1 GLU 34 -18.292 -16.392 -6.788 271 H MET 35 HN MET 35 -17.638 -14.188 -9.130 272 HA MET 35 HA MET 35 -14.996 -13.317 -10.096 273 1HB MET 35 HB2 MET 35 -16.034 -11.381 -10.993 274 2HB MET 35 HB1 MET 35 -17.063 -12.735 -11.430 275 1HG MET 35 HG2 MET 35 -18.590 -12.190 -9.603 276 2HG MET 35 HG1 MET 35 -17.568 -10.844 -9.126 277 1HE MET 35 HE2 MET 35 -16.928 -8.949 -10.635 278 2HE MET 35 HE1 MET 35 -16.900 -9.524 -12.302 279 3HE MET 35 HE3 MET 35 -18.007 -8.228 -11.831 280 H GLY 36 HN GLY 36 -13.792 -11.843 -8.984 281 1HA GLY 36 HA2 GLY 36 -14.703 -11.174 -6.246 282 2HA GLY 36 HA1 GLY 36 -13.037 -11.501 -6.684 283 H PHE 37 HN PHE 37 -14.688 -9.114 -5.600 284 HA PHE 37 HA PHE 37 -13.846 -7.011 -7.497 285 1HB PHE 37 HB2 PHE 37 -15.761 -7.002 -5.160 286 2HB PHE 37 HB1 PHE 37 -15.228 -5.536 -5.976 287 HD1 PHE 37 HD1 PHE 37 -15.609 -5.408 -8.535 288 HD2 PHE 37 HD2 PHE 37 -17.603 -8.171 -5.955 289 HE1 PHE 37 HE1 PHE 37 -17.380 -5.708 -10.222 290 HE2 PHE 37 HE2 PHE 37 -19.372 -8.463 -7.635 291 HZ PHE 37 HZ PHE 37 -19.236 -7.227 -9.809 292 H TYR 38 HN TYR 38 -12.182 -5.714 -7.023 293 HA TYR 38 HA TYR 38 -11.212 -5.461 -4.253 294 1HB TYR 38 HB2 TYR 38 -9.454 -6.310 -6.571 295 2HB TYR 38 HB1 TYR 38 -8.908 -5.955 -4.938 296 HD1 TYR 38 HD1 TYR 38 -9.621 -7.424 -3.059 297 HD2 TYR 38 HD2 TYR 38 -10.356 -8.431 -7.135 298 HE1 TYR 38 HE1 TYR 38 -10.019 -9.761 -2.404 299 HE2 TYR 38 HE2 TYR 38 -10.748 -10.776 -6.485 300 HH TYR 38 HH TYR 38 -11.583 -11.905 -4.067 301 H LYS 39 HN LYS 39 -9.311 -3.833 -4.240 302 HA LYS 39 HA LYS 39 -10.214 -1.399 -5.469 303 1HB LYS 39 HB2 LYS 39 -8.850 -1.942 -3.199 304 2HB LYS 39 HB1 LYS 39 -7.506 -1.504 -4.242 305 1HG LYS 39 HG2 LYS 39 -9.966 0.197 -3.843 306 2HG LYS 39 HG1 LYS 39 -8.464 0.418 -2.955 307 1HD LYS 39 HD2 LYS 39 -7.581 0.406 -5.543 308 2HD LYS 39 HD1 LYS 39 -9.164 1.150 -5.724 309 1HE LYS 39 HE2 LYS 39 -7.811 2.992 -5.326 310 2HE LYS 39 HE1 LYS 39 -8.419 2.637 -3.714 311 1HZ LYS 39 HZ1 LYS 39 -6.252 1.163 -3.648 312 2HZ LYS 39 HZ3 LYS 39 -5.728 2.294 -4.811 313 3HZ LYS 39 HZ2 LYS 39 -6.222 2.824 -3.263 314 H ASP 40 HN ASP 40 -7.133 -3.204 -5.737 315 HA ASP 40 HA ASP 40 -6.947 -2.457 -8.593 316 1HB ASP 40 HB2 ASP 40 -4.512 -2.400 -6.802 317 2HB ASP 40 HB1 ASP 40 -4.653 -1.863 -8.474 318 H ALA 41 HN ALA 41 -4.494 -3.648 -9.082 319 HA ALA 41 HA ALA 41 -5.177 -6.443 -9.162 320 1HB ALA 41 HB1 ALA 41 -3.790 -5.026 -10.870 321 2HB ALA 41 HB3 ALA 41 -2.438 -5.382 -9.799 322 3HB ALA 41 HB2 ALA 41 -3.327 -6.698 -10.562 323 H LYS 42 HN LYS 42 -2.945 -4.415 -7.332 324 HA LYS 42 HA LYS 42 -1.526 -6.439 -5.943 325 1HB LYS 42 HB2 LYS 42 -2.211 -3.624 -5.051 326 2HB LYS 42 HB1 LYS 42 -1.001 -4.666 -4.305 327 1HG LYS 42 HG2 LYS 42 -0.032 -4.756 -6.761 328 2HG LYS 42 HG1 LYS 42 -0.935 -3.258 -6.945 329 1HD LYS 42 HD2 LYS 42 0.360 -2.888 -4.529 330 2HD LYS 42 HD1 LYS 42 1.547 -3.781 -5.472 331 1HE LYS 42 HE2 LYS 42 2.017 -1.526 -5.942 332 2HE LYS 42 HE1 LYS 42 1.109 -2.080 -7.344 333 1HZ LYS 42 HZ1 LYS 42 -0.914 -1.172 -6.106 334 2HZ LYS 42 HZ3 LYS 42 0.209 -0.354 -5.122 335 3HZ LYS 42 HZ2 LYS 42 0.161 -0.046 -6.799 336 H SER 43 HN SER 43 -4.552 -4.746 -5.290 337 HA SER 43 HA SER 43 -5.092 -5.812 -2.714 338 1HB SER 43 HB2 SER 43 -7.175 -4.929 -4.700 339 2HB SER 43 HB1 SER 43 -7.233 -4.836 -2.941 340 HG SER 43 HG SER 43 -5.710 -3.202 -2.984 341 H ALA 44 HN ALA 44 -5.840 -6.911 -5.992 342 HA ALA 44 HA ALA 44 -7.634 -9.016 -5.245 343 1HB ALA 44 HB2 ALA 44 -7.621 -8.000 -7.494 344 2HB ALA 44 HB1 ALA 44 -6.016 -8.677 -7.783 345 3HB ALA 44 HB3 ALA 44 -7.401 -9.749 -7.562 346 H ALA 45 HN ALA 45 -4.166 -8.830 -5.873 347 HA ALA 45 HA ALA 45 -3.655 -11.634 -5.741 348 1HB ALA 45 HB2 ALA 45 -2.118 -10.088 -6.859 349 2HB ALA 45 HB1 ALA 45 -1.778 -9.300 -5.317 350 3HB ALA 45 HB3 ALA 45 -1.300 -10.978 -5.576 351 H SER 46 HN SER 46 -3.375 -8.994 -3.379 352 HA SER 46 HA SER 46 -2.410 -10.597 -1.217 353 1HB SER 46 HB2 SER 46 -3.299 -8.584 0.152 354 2HB SER 46 HB1 SER 46 -1.996 -8.291 -0.991 355 HG SER 46 HG SER 46 -3.343 -7.255 -2.331 356 H GLY 47 HN GLY 47 -5.604 -9.228 -1.973 357 1HA GLY 47 HA2 GLY 47 -7.655 -10.450 -1.772 358 2HA GLY 47 HA1 GLY 47 -6.932 -11.419 -0.485 359 H ILE 48 HN ILE 48 -7.153 -7.925 -1.102 360 HA ILE 48 HA ILE 48 -8.042 -7.480 1.667 361 HB ILE 48 HB ILE 48 -6.872 -5.625 -0.414 362 1HG1 ILE 48 HG12 ILE 48 -5.646 -6.091 2.260 363 2HG1 ILE 48 HG11 ILE 48 -5.541 -7.405 1.099 364 1HG2 ILE 48 HG21 ILE 48 -7.884 -5.036 2.368 365 2HG2 ILE 48 HG23 ILE 48 -6.798 -3.969 1.483 366 3HG2 ILE 48 HG22 ILE 48 -8.412 -4.301 0.854 367 1HD1 ILE 48 HD11 ILE 48 -4.738 -5.450 -0.509 368 2HD1 ILE 48 HD13 ILE 48 -4.290 -4.705 1.024 369 3HD1 ILE 48 HD12 ILE 48 -3.614 -6.271 0.575 370 HA PRO 49 HA PRO 49 -12.138 -6.979 -0.082 371 1HB PRO 49 HB2 PRO 49 -13.416 -6.303 2.228 372 2HB PRO 49 HB1 PRO 49 -12.971 -7.958 1.792 373 1HG PRO 49 HG2 PRO 49 -11.616 -6.052 3.645 374 2HG PRO 49 HG1 PRO 49 -11.865 -7.799 3.809 375 1HD PRO 49 HD2 PRO 49 -9.496 -6.691 3.025 376 2HD PRO 49 HD1 PRO 49 -10.026 -8.311 2.531 377 H TYR 50 HN TYR 50 -12.532 -5.248 -1.313 378 HA TYR 50 HA TYR 50 -12.165 -2.519 -0.260 379 1HB TYR 50 HB2 TYR 50 -11.185 -3.149 -2.477 380 2HB TYR 50 HB1 TYR 50 -12.817 -3.392 -3.090 381 HD1 TYR 50 HD1 TYR 50 -11.030 -0.771 -1.103 382 HD2 TYR 50 HD2 TYR 50 -13.596 -1.651 -4.397 383 HE1 TYR 50 HE1 TYR 50 -11.209 1.629 -1.604 384 HE2 TYR 50 HE2 TYR 50 -13.772 0.754 -4.901 385 HH TYR 50 HH TYR 50 -13.104 2.812 -4.368 386 H HIS 51 HN HIS 51 -14.615 -4.786 -1.134 387 HA HIS 51 HA HIS 51 -16.759 -2.824 -0.551 388 1HB HIS 51 HB2 HIS 51 -16.584 -4.958 -2.679 389 2HB HIS 51 HB1 HIS 51 -18.152 -4.454 -2.061 390 HD1 HIS 51 HD1 HIS 51 -18.929 -2.049 -2.615 391 HD2 HIS 51 HD2 HIS 51 -15.341 -3.107 -4.395 392 HE1 HIS 51 HE1 HIS 51 -18.520 -0.291 -4.359 393 H SER 52 HN SER 52 -18.833 -4.147 0.036 394 HA SER 52 HA SER 52 -18.289 -5.629 2.410 395 1HB SER 52 HB2 SER 52 -20.939 -6.136 1.874 396 2HB SER 52 HB1 SER 52 -20.336 -4.715 2.719 397 HG SER 52 HG SER 52 -21.286 -4.975 0.087 398 H GLU 53 HN GLU 53 -19.858 -6.606 -0.641 399 HA GLU 53 HA GLU 53 -19.310 -9.443 -0.076 400 1HB GLU 53 HB2 GLU 53 -20.878 -8.268 -2.379 401 2HB GLU 53 HB1 GLU 53 -20.882 -9.930 -1.809 402 1HG GLU 53 HG2 GLU 53 -22.744 -9.325 -0.702 403 2HG GLU 53 HG1 GLU 53 -21.640 -8.594 0.454 404 H VAL 54 HN VAL 54 -17.218 -9.858 -0.605 405 HA VAL 54 HA VAL 54 -15.969 -8.636 -2.920 406 HB VAL 54 HB VAL 54 -14.703 -10.897 -1.401 407 1HG1 VAL 54 HG13 VAL 54 -13.702 -9.633 -3.432 408 2HG1 VAL 54 HG12 VAL 54 -13.433 -8.329 -2.274 409 3HG1 VAL 54 HG11 VAL 54 -12.685 -9.906 -2.015 410 1HG2 VAL 54 HG23 VAL 54 -15.380 -8.186 -0.353 411 2HG2 VAL 54 HG22 VAL 54 -15.295 -9.733 0.494 412 3HG2 VAL 54 HG21 VAL 54 -13.812 -8.885 0.056 413 HA PRO 55 HA PRO 55 -16.294 -12.968 -4.816 414 1HB PRO 55 HB2 PRO 55 -17.297 -15.059 -3.407 415 2HB PRO 55 HB1 PRO 55 -15.618 -14.522 -3.293 416 1HG PRO 55 HG2 PRO 55 -17.775 -14.299 -1.330 417 2HG PRO 55 HG1 PRO 55 -16.028 -14.145 -1.100 418 1HD PRO 55 HD2 PRO 55 -18.019 -12.055 -1.372 419 2HD PRO 55 HD1 PRO 55 -16.304 -11.910 -0.964 420 H VAL 56 HN VAL 56 -17.835 -12.601 -6.331 421 HA VAL 56 HA VAL 56 -20.690 -12.982 -5.603 422 HB VAL 56 HB VAL 56 -19.420 -11.196 -7.685 423 1HG1 VAL 56 HG13 VAL 56 -22.264 -12.062 -7.311 424 2HG1 VAL 56 HG12 VAL 56 -21.904 -10.447 -7.924 425 3HG1 VAL 56 HG11 VAL 56 -21.342 -11.869 -8.801 426 1HG2 VAL 56 HG21 VAL 56 -20.728 -10.770 -5.040 427 2HG2 VAL 56 HG23 VAL 56 -19.311 -9.987 -5.736 428 3HG2 VAL 56 HG22 VAL 56 -20.925 -9.541 -6.295 429 H SER 57 HN SER 57 -21.778 -14.532 -6.655 430 HA SER 57 HA SER 57 -20.389 -16.353 -8.381 431 1HB SER 57 HB2 SER 57 -23.241 -16.195 -7.451 432 2HB SER 57 HB1 SER 57 -22.562 -17.530 -8.348 433 HG SER 57 HG SER 57 -21.026 -17.790 -6.613 434 H LEU 58 HN LEU 58 -20.241 -16.219 -10.480 435 HA LEU 58 HA LEU 58 -22.035 -14.488 -12.064 436 1HB LEU 58 HB2 LEU 58 -19.456 -14.292 -12.050 437 2HB LEU 58 HB1 LEU 58 -19.462 -15.777 -12.991 438 HG LEU 58 HG LEU 58 -21.120 -14.518 -14.539 439 1HD1 LEU 58 HD13 LEU 58 -19.834 -12.207 -13.078 440 2HD1 LEU 58 HD12 LEU 58 -20.723 -12.070 -14.592 441 3HD1 LEU 58 HD11 LEU 58 -21.555 -12.597 -13.128 442 1HD2 LEU 58 HD21 LEU 58 -18.163 -14.034 -14.321 443 2HD2 LEU 58 HD23 LEU 58 -19.037 -15.089 -15.435 444 3HD2 LEU 58 HD22 LEU 58 -19.109 -13.341 -15.635 445 H LYS 59 HN LYS 59 -23.170 -16.858 -11.199 446 HA LYS 59 HA LYS 59 -22.940 -18.887 -13.271 447 1HB LYS 59 HB2 LYS 59 -23.803 -18.794 -10.557 448 2HB LYS 59 HB1 LYS 59 -25.171 -19.314 -11.526 449 1HG LYS 59 HG2 LYS 59 -22.415 -20.544 -11.753 450 2HG LYS 59 HG1 LYS 59 -23.653 -21.150 -10.661 451 1HD LYS 59 HD2 LYS 59 -24.678 -20.807 -13.378 452 2HD LYS 59 HD1 LYS 59 -23.291 -21.891 -13.322 453 1HE LYS 59 HE2 LYS 59 -25.141 -23.309 -13.012 454 2HE LYS 59 HE1 LYS 59 -24.495 -23.079 -11.390 455 1HZ LYS 59 HZ3 LYS 59 -26.189 -21.287 -11.109 456 2HZ LYS 59 HZ2 LYS 59 -26.882 -21.783 -12.590 457 3HZ LYS 59 HZ1 LYS 59 -26.825 -22.860 -11.262 458 H GLU 60 HN GLU 60 -23.928 -18.558 -15.147 459 HA GLU 60 HA GLU 60 -25.440 -17.953 -16.753 460 1HB GLU 60 HB2 GLU 60 -27.411 -18.254 -14.469 461 2HB GLU 60 HB1 GLU 60 -27.843 -18.131 -16.171 462 1HG GLU 60 HG2 GLU 60 -27.010 -20.243 -16.684 463 2HG GLU 60 HG1 GLU 60 -25.915 -20.266 -15.304 464 H ALA 61 HN ALA 61 -24.091 -15.844 -16.116 465 HA ALA 61 HA ALA 61 -25.818 -13.659 -15.200 466 1HB ALA 61 HB1 ALA 61 -23.401 -13.933 -14.483 467 2HB ALA 61 HB3 ALA 61 -22.943 -13.469 -16.125 468 3HB ALA 61 HB2 ALA 61 -23.839 -12.342 -15.101 469 H ILE 62 HN ILE 62 -26.845 -12.303 -16.521 470 HA ILE 62 HA ILE 62 -26.689 -12.591 -19.399 471 HB ILE 62 HB ILE 62 -28.238 -10.673 -17.638 472 1HG1 ILE 62 HG12 ILE 62 -29.410 -12.942 -19.220 473 2HG1 ILE 62 HG11 ILE 62 -28.723 -13.236 -17.627 474 1HG2 ILE 62 HG23 ILE 62 -28.110 -11.003 -20.610 475 2HG2 ILE 62 HG22 ILE 62 -29.638 -10.546 -19.853 476 3HG2 ILE 62 HG21 ILE 62 -28.211 -9.531 -19.639 477 1HD1 ILE 62 HD11 ILE 62 -30.704 -11.015 -17.988 478 2HD1 ILE 62 HD13 ILE 62 -31.269 -12.682 -17.866 479 3HD1 ILE 62 HD12 ILE 62 -30.338 -11.970 -16.549 480 H CYS 63 HN CYS 63 -25.703 -11.195 -20.822 481 HA CYS 63 HA CYS 63 -24.381 -8.782 -19.744 482 1HB CYS 63 HB2 CYS 63 -22.948 -11.008 -20.035 483 2HB CYS 63 HB1 CYS 63 -22.878 -10.457 -21.700 484 HG CYS 63 HG CYS 63 -21.653 -8.958 -19.280 485 H GLU 64 HN GLU 64 -25.457 -7.239 -20.802 486 HA GLU 64 HA GLU 64 -25.973 -7.495 -23.707 487 1HB GLU 64 HB2 GLU 64 -26.992 -5.309 -21.888 488 2HB GLU 64 HB1 GLU 64 -27.587 -5.765 -23.476 489 1HG GLU 64 HG2 GLU 64 -28.543 -7.794 -22.637 490 2HG GLU 64 HG1 GLU 64 -27.726 -7.613 -21.086 491 H VAL 65 HN VAL 65 -25.284 -5.828 -25.125 492 HA VAL 65 HA VAL 65 -22.855 -4.418 -24.216 493 HB VAL 65 HB VAL 65 -23.901 -4.549 -27.047 494 1HG1 VAL 65 HG13 VAL 65 -22.063 -2.994 -26.602 495 2HG1 VAL 65 HG12 VAL 65 -21.120 -4.297 -25.883 496 3HG1 VAL 65 HG11 VAL 65 -21.513 -4.338 -27.602 497 1HG2 VAL 65 HG21 VAL 65 -22.425 -6.667 -25.498 498 2HG2 VAL 65 HG23 VAL 65 -23.840 -6.842 -26.538 499 3HG2 VAL 65 HG22 VAL 65 -22.262 -6.524 -27.250 500 H ALA 66 HN ALA 66 -22.692 -2.238 -24.136 501 HA ALA 66 HA ALA 66 -24.866 -0.536 -25.169 502 1HB ALA 66 HB3 ALA 66 -25.255 -1.082 -22.720 503 2HB ALA 66 HB2 ALA 66 -23.755 -0.223 -22.367 504 3HB ALA 66 HB1 ALA 66 -25.113 0.632 -23.098 505 H LEU 67 HN LEU 67 -23.490 0.240 -26.765 506 HA LEU 67 HA LEU 67 -20.861 1.308 -26.070 507 1HB LEU 67 HB2 LEU 67 -22.283 0.564 -28.528 508 2HB LEU 67 HB1 LEU 67 -21.345 2.042 -28.686 509 HG LEU 67 HG LEU 67 -19.410 0.765 -27.645 510 1HD1 LEU 67 HD12 LEU 67 -21.216 -1.557 -28.291 511 2HD1 LEU 67 HD11 LEU 67 -19.503 -1.688 -27.885 512 3HD1 LEU 67 HD13 LEU 67 -20.649 -1.076 -26.691 513 1HD2 LEU 67 HD21 LEU 67 -19.682 1.286 -30.091 514 2HD2 LEU 67 HD23 LEU 67 -18.693 -0.128 -29.726 515 3HD2 LEU 67 HD22 LEU 67 -20.354 -0.337 -30.284 516 H ASP 68 HN ASP 68 -24.086 2.511 -26.743 517 HA ASP 68 HA ASP 68 -23.120 5.302 -26.597 518 1HB ASP 68 HB2 ASP 68 -25.152 5.967 -27.688 519 2HB ASP 68 HB1 ASP 68 -24.439 4.650 -28.606 520 H TYR 69 HN TYR 69 -23.212 3.865 -24.180 521 HA TYR 69 HA TYR 69 -25.667 4.663 -22.805 522 1HB TYR 69 HB2 TYR 69 -24.562 2.471 -22.300 523 2HB TYR 69 HB1 TYR 69 -23.204 3.361 -21.627 524 HD1 TYR 69 HD1 TYR 69 -26.893 2.903 -21.306 525 HD2 TYR 69 HD2 TYR 69 -23.257 4.078 -19.396 526 HE1 TYR 69 HE1 TYR 69 -28.054 2.998 -19.135 527 HE2 TYR 69 HE2 TYR 69 -24.427 4.174 -17.235 528 HH TYR 69 HH TYR 69 -26.566 4.366 -16.319 529 H LYS 70 HN LYS 70 -25.431 6.921 -23.087 530 HA LYS 70 HA LYS 70 -25.015 9.033 -22.349 531 1HB LYS 70 HB2 LYS 70 -23.492 7.755 -20.067 532 2HB LYS 70 HB1 LYS 70 -24.092 9.407 -20.143 533 1HG LYS 70 HG2 LYS 70 -26.413 8.491 -20.363 534 2HG LYS 70 HG1 LYS 70 -25.754 6.881 -20.094 535 1HD LYS 70 HD2 LYS 70 -25.017 7.458 -17.885 536 2HD LYS 70 HD1 LYS 70 -25.390 9.162 -18.141 537 1HE LYS 70 HE2 LYS 70 -27.477 6.965 -18.212 538 2HE LYS 70 HE1 LYS 70 -27.066 7.865 -16.755 539 1HZ LYS 70 HZ2 LYS 70 -27.691 9.917 -17.879 540 2HZ LYS 70 HZ1 LYS 70 -28.131 9.028 -19.269 541 3HZ LYS 70 HZ3 LYS 70 -28.990 8.815 -17.814 542 H LYS 71 HN LYS 71 -22.061 7.124 -21.796 543 HA LYS 71 HA LYS 71 -20.449 9.240 -23.097 544 1HB LYS 71 HB2 LYS 71 -19.590 6.913 -21.353 545 2HB LYS 71 HB1 LYS 71 -18.522 8.130 -22.043 546 1HG LYS 71 HG2 LYS 71 -18.848 9.405 -20.242 547 2HG LYS 71 HG1 LYS 71 -20.538 9.570 -20.704 548 1HD LYS 71 HD2 LYS 71 -20.510 8.759 -18.456 549 2HD LYS 71 HD1 LYS 71 -20.998 7.410 -19.479 550 1HE LYS 71 HE2 LYS 71 -19.374 6.661 -17.819 551 2HE LYS 71 HE1 LYS 71 -18.681 6.549 -19.431 552 1HZ LYS 71 HZ3 LYS 71 -18.223 9.002 -17.900 553 2HZ LYS 71 HZ2 LYS 71 -17.364 7.601 -17.459 554 3HZ LYS 71 HZ1 LYS 71 -17.226 8.229 -19.043 555 H LYS 72 HN LYS 72 -19.707 8.859 -25.107 556 HA LYS 72 HA LYS 72 -20.307 6.417 -26.494 557 1HB LYS 72 HB2 LYS 72 -19.034 7.548 -28.379 558 2HB LYS 72 HB1 LYS 72 -20.444 8.402 -27.768 559 1HG LYS 72 HG2 LYS 72 -19.227 10.125 -26.926 560 2HG LYS 72 HG1 LYS 72 -17.880 9.098 -26.460 561 1HD LYS 72 HD2 LYS 72 -16.873 10.225 -28.180 562 2HD LYS 72 HD1 LYS 72 -17.595 8.920 -29.115 563 1HE LYS 72 HE2 LYS 72 -18.123 10.926 -30.267 564 2HE LYS 72 HE1 LYS 72 -19.606 10.415 -29.467 565 1HZ LYS 72 HZ1 LYS 72 -17.990 12.176 -27.868 566 2HZ LYS 72 HZ3 LYS 72 -18.511 12.886 -29.329 567 3HZ LYS 72 HZ2 LYS 72 -19.654 12.241 -28.232 568 H LYS 73 HN LYS 73 -19.029 5.112 -24.847 569 HA LYS 73 HA LYS 73 -16.231 4.773 -25.783 570 1HB LYS 73 HB2 LYS 73 -17.330 4.391 -22.986 571 2HB LYS 73 HB1 LYS 73 -15.691 3.980 -23.493 572 1HG LYS 73 HG2 LYS 73 -15.168 6.286 -23.914 573 2HG LYS 73 HG1 LYS 73 -16.849 6.766 -23.684 574 1HD LYS 73 HD2 LYS 73 -16.645 6.817 -21.447 575 2HD LYS 73 HD1 LYS 73 -15.801 5.277 -21.406 576 1HE LYS 73 HE2 LYS 73 -14.534 7.952 -22.047 577 2HE LYS 73 HE1 LYS 73 -14.407 7.099 -20.512 578 1HZ LYS 73 HZ2 LYS 73 -13.632 5.565 -22.852 579 2HZ LYS 73 HZ1 LYS 73 -12.638 6.897 -22.478 580 3HZ LYS 73 HZ3 LYS 73 -12.901 5.677 -21.317 581 H HIS 74 HN HIS 74 -16.882 2.501 -23.512 582 HA HIS 74 HA HIS 74 -18.240 0.548 -25.225 583 1HB HIS 74 HB2 HIS 74 -15.378 0.311 -24.257 584 2HB HIS 74 HB1 HIS 74 -16.341 -1.103 -24.649 585 HD1 HIS 74 HD1 HIS 74 -14.081 1.223 -26.149 586 HD2 HIS 74 HD2 HIS 74 -17.325 -0.953 -27.500 587 HE1 HIS 74 HE1 HIS 74 -13.828 1.170 -28.636 588 H VAL 75 HN VAL 75 -19.902 0.395 -23.719 589 HA VAL 75 HA VAL 75 -19.173 -0.551 -21.005 590 HB VAL 75 HB VAL 75 -21.538 1.131 -21.874 591 1HG1 VAL 75 HG13 VAL 75 -20.929 -0.182 -19.238 592 2HG1 VAL 75 HG12 VAL 75 -21.952 1.249 -19.355 593 3HG1 VAL 75 HG11 VAL 75 -22.422 -0.238 -20.176 594 1HG2 VAL 75 HG22 VAL 75 -19.437 2.386 -21.685 595 2HG2 VAL 75 HG21 VAL 75 -20.597 2.852 -20.436 596 3HG2 VAL 75 HG23 VAL 75 -19.249 1.790 -20.039 597 H PHE 76 HN PHE 76 -20.537 -2.156 -20.080 598 HA PHE 76 HA PHE 76 -22.491 -3.438 -21.839 599 1HB PHE 76 HB2 PHE 76 -21.612 -5.692 -21.357 600 2HB PHE 76 HB1 PHE 76 -20.516 -4.721 -22.321 601 HD1 PHE 76 HD1 PHE 76 -18.452 -3.803 -21.315 602 HD2 PHE 76 HD2 PHE 76 -20.987 -6.520 -19.219 603 HE1 PHE 76 HE1 PHE 76 -16.603 -4.335 -19.765 604 HE2 PHE 76 HE2 PHE 76 -19.147 -7.047 -17.670 605 HZ PHE 76 HZ PHE 76 -16.954 -5.959 -17.948 606 H LYS 77 HN LYS 77 -24.119 -4.452 -20.785 607 HA LYS 77 HA LYS 77 -24.471 -3.697 -17.965 608 1HB LYS 77 HB2 LYS 77 -26.124 -3.030 -19.694 609 2HB LYS 77 HB1 LYS 77 -26.447 -4.731 -19.998 610 1HG LYS 77 HG2 LYS 77 -27.741 -4.957 -18.162 611 2HG LYS 77 HG1 LYS 77 -26.686 -3.952 -17.172 612 1HD LYS 77 HD2 LYS 77 -28.883 -2.903 -17.435 613 2HD LYS 77 HD1 LYS 77 -27.637 -1.931 -18.208 614 1HE LYS 77 HE2 LYS 77 -29.212 -1.887 -19.870 615 2HE LYS 77 HE1 LYS 77 -28.335 -3.333 -20.358 616 1HZ LYS 77 HZ1 LYS 77 -30.704 -3.468 -18.588 617 2HZ LYS 77 HZ3 LYS 77 -30.842 -3.462 -20.282 618 3HZ LYS 77 HZ2 LYS 77 -29.982 -4.718 -19.506 619 H LEU 78 HN LEU 78 -23.890 -5.157 -16.538 620 HA LEU 78 HA LEU 78 -24.167 -8.038 -17.063 621 1HB LEU 78 HB2 LEU 78 -22.279 -6.413 -15.575 622 2HB LEU 78 HB1 LEU 78 -22.951 -7.674 -14.557 623 HG LEU 78 HG LEU 78 -21.536 -8.006 -17.190 624 1HD1 LEU 78 HD23 LEU 78 -20.870 -8.572 -14.328 625 2HD1 LEU 78 HD22 LEU 78 -20.160 -9.565 -15.599 626 3HD1 LEU 78 HD21 LEU 78 -19.883 -7.822 -15.586 627 1HD2 LEU 78 HD11 LEU 78 -23.469 -9.766 -15.887 628 2HD2 LEU 78 HD13 LEU 78 -22.786 -9.846 -17.515 629 3HD2 LEU 78 HD12 LEU 78 -21.915 -10.550 -16.151 630 H ARG 79 HN ARG 79 -26.006 -8.908 -16.404 631 HA ARG 79 HA ARG 79 -27.281 -7.931 -13.914 632 1HB ARG 79 HB2 ARG 79 -28.549 -8.823 -16.507 633 2HB ARG 79 HB1 ARG 79 -29.437 -8.618 -15.006 634 1HG ARG 79 HG2 ARG 79 -29.107 -6.296 -14.982 635 2HG ARG 79 HG1 ARG 79 -27.769 -6.387 -16.117 636 1HD ARG 79 HD2 ARG 79 -29.620 -5.509 -17.334 637 2HD ARG 79 HD1 ARG 79 -29.425 -7.183 -17.855 638 HE ARG 79 HE ARG 79 -31.277 -7.668 -16.139 639 1HH1 ARG 79 HH21 ARG 79 -31.898 -4.918 -15.233 640 2HH1 ARG 79 HH22 ARG 79 -33.174 -4.424 -16.314 641 1HH2 ARG 79 HH11 ARG 79 -32.445 -6.851 -18.749 642 2HH2 ARG 79 HH12 ARG 79 -33.467 -5.493 -18.321 643 H LEU 80 HN LEU 80 -27.190 -9.468 -12.383 644 HA LEU 80 HA LEU 80 -26.748 -12.253 -13.107 645 1HB LEU 80 HB2 LEU 80 -27.410 -11.149 -10.377 646 2HB LEU 80 HB1 LEU 80 -26.663 -12.692 -10.744 647 HG LEU 80 HG LEU 80 -25.429 -9.970 -11.246 648 1HD1 LEU 80 HD12 LEU 80 -24.972 -12.039 -9.105 649 2HD1 LEU 80 HD11 LEU 80 -23.770 -10.810 -9.509 650 3HD1 LEU 80 HD13 LEU 80 -25.358 -10.328 -8.917 651 1HD2 LEU 80 HD21 LEU 80 -24.477 -12.771 -11.817 652 2HD2 LEU 80 HD23 LEU 80 -24.554 -11.387 -12.908 653 3HD2 LEU 80 HD22 LEU 80 -23.354 -11.423 -11.617 654 H SER 81 HN SER 81 -28.240 -13.942 -12.848 655 HA SER 81 HA SER 81 -30.942 -13.376 -13.473 656 1HB SER 81 HB2 SER 81 -29.719 -15.927 -12.399 657 2HB SER 81 HB1 SER 81 -31.317 -15.787 -13.132 658 HG SER 81 HG SER 81 -28.801 -15.292 -14.386 659 H ASP 82 HN ASP 82 -29.352 -14.043 -10.414 660 HA ASP 82 HA ASP 82 -31.684 -13.085 -8.929 661 1HB ASP 82 HB2 ASP 82 -31.950 -15.573 -9.124 662 2HB ASP 82 HB1 ASP 82 -30.402 -15.763 -8.308 663 H GLY 83 HN GLY 83 -29.859 -11.387 -8.979 664 1HA GLY 83 HA2 GLY 83 -28.417 -11.545 -6.457 665 2HA GLY 83 HA1 GLY 83 -27.396 -11.470 -7.890 666 H ASN 84 HN ASN 84 -27.084 -9.531 -8.899 667 HA ASN 84 HA ASN 84 -28.674 -7.175 -8.140 668 1HB ASN 84 HB2 ASN 84 -25.651 -7.377 -8.122 669 2HB ASN 84 HB1 ASN 84 -26.569 -5.915 -7.789 670 1HD2 ASN 84 HD22 ASN 84 -27.801 -7.301 -4.609 671 2HD2 ASN 84 HD21 ASN 84 -28.481 -6.674 -6.077 672 H GLU 85 HN GLU 85 -27.991 -5.299 -9.576 673 HA GLU 85 HA GLU 85 -27.324 -6.198 -12.327 674 1HB GLU 85 HB2 GLU 85 -29.152 -4.007 -11.336 675 2HB GLU 85 HB1 GLU 85 -28.676 -4.190 -13.025 676 1HG GLU 85 HG2 GLU 85 -29.634 -6.510 -12.975 677 2HG GLU 85 HG1 GLU 85 -30.226 -6.189 -11.352 678 H TYR 86 HN TYR 86 -25.440 -5.373 -13.080 679 HA TYR 86 HA TYR 86 -24.431 -2.797 -11.996 680 1HB TYR 86 HB2 TYR 86 -22.695 -5.193 -12.599 681 2HB TYR 86 HB1 TYR 86 -22.197 -3.677 -11.869 682 HD1 TYR 86 HD1 TYR 86 -23.930 -3.173 -9.703 683 HD2 TYR 86 HD2 TYR 86 -22.481 -6.947 -11.082 684 HE1 TYR 86 HE1 TYR 86 -24.347 -4.145 -7.483 685 HE2 TYR 86 HE2 TYR 86 -22.906 -7.917 -8.863 686 HH TYR 86 HH TYR 86 -23.201 -6.414 -6.198 687 H LEU 87 HN LEU 87 -23.090 -1.596 -13.360 688 HA LEU 87 HA LEU 87 -23.113 -2.322 -16.241 689 1HB LEU 87 HB2 LEU 87 -22.930 0.415 -14.945 690 2HB LEU 87 HB1 LEU 87 -22.813 0.106 -16.669 691 HG LEU 87 HG LEU 87 -25.190 -0.038 -14.869 692 1HD1 LEU 87 HD12 LEU 87 -24.530 1.252 -17.502 693 2HD1 LEU 87 HD11 LEU 87 -26.191 1.103 -16.928 694 3HD1 LEU 87 HD13 LEU 87 -25.011 2.019 -15.987 695 1HD2 LEU 87 HD22 LEU 87 -24.904 -1.507 -17.486 696 2HD2 LEU 87 HD21 LEU 87 -25.307 -2.195 -15.911 697 3HD2 LEU 87 HD23 LEU 87 -26.450 -1.132 -16.726 698 H PHE 88 HN PHE 88 -21.136 -2.401 -17.272 699 HA PHE 88 HA PHE 88 -18.733 -1.664 -15.698 700 1HB PHE 88 HB2 PHE 88 -19.319 -4.186 -17.214 701 2HB PHE 88 HB1 PHE 88 -17.665 -3.666 -16.904 702 HD1 PHE 88 HD1 PHE 88 -16.996 -3.209 -14.487 703 HD2 PHE 88 HD2 PHE 88 -20.509 -5.363 -15.584 704 HE1 PHE 88 HE1 PHE 88 -17.084 -4.196 -12.244 705 HE2 PHE 88 HE2 PHE 88 -20.600 -6.362 -13.334 706 HZ PHE 88 HZ PHE 88 -18.890 -5.785 -11.668 707 H GLN 89 HN GLN 89 -17.336 -0.399 -16.734 708 HA GLN 89 HA GLN 89 -17.638 0.014 -19.656 709 1HB GLN 89 HB2 GLN 89 -18.147 1.977 -18.229 710 2HB GLN 89 HB1 GLN 89 -16.534 1.885 -17.568 711 1HG GLN 89 HG2 GLN 89 -15.787 2.070 -20.085 712 2HG GLN 89 HG1 GLN 89 -17.399 2.749 -20.295 713 1HE2 GLN 89 HE22 GLN 89 -14.515 4.804 -18.242 714 2HE2 GLN 89 HE21 GLN 89 -14.325 3.119 -18.624 715 H ALA 90 HN ALA 90 -15.961 -0.294 -20.952 716 HA ALA 90 HA ALA 90 -13.277 -0.892 -19.822 717 1HB ALA 90 HB3 ALA 90 -14.779 -2.122 -22.148 718 2HB ALA 90 HB2 ALA 90 -13.024 -2.240 -22.010 719 3HB ALA 90 HB1 ALA 90 -14.051 -2.934 -20.757 720 H LYS 91 HN LYS 91 -11.491 -0.265 -21.334 721 HA LYS 91 HA LYS 91 -12.149 2.277 -22.692 722 1HB LYS 91 HB2 LYS 91 -9.753 2.785 -22.492 723 2HB LYS 91 HB1 LYS 91 -10.486 2.433 -20.933 724 1HG LYS 91 HG2 LYS 91 -9.568 -0.048 -21.834 725 2HG LYS 91 HG1 LYS 91 -8.304 1.084 -22.293 726 1HD LYS 91 HD2 LYS 91 -8.418 1.974 -19.909 727 2HD LYS 91 HD1 LYS 91 -9.419 0.574 -19.533 728 1HE LYS 91 HE2 LYS 91 -6.685 0.328 -20.793 729 2HE LYS 91 HE1 LYS 91 -6.928 0.347 -19.049 730 1HZ LYS 91 HZ3 LYS 91 -8.461 -1.545 -20.706 731 2HZ LYS 91 HZ2 LYS 91 -6.834 -1.891 -20.309 732 3HZ LYS 91 HZ1 LYS 91 -7.994 -1.661 -19.076 733 H ASP 92 HN ASP 92 -10.865 -0.913 -23.346 734 HA ASP 92 HA ASP 92 -10.336 -0.150 -26.162 735 1HB ASP 92 HB2 ASP 92 -8.366 -0.948 -24.881 736 2HB ASP 92 HB1 ASP 92 -9.197 -2.465 -24.577 737 H ASP 93 HN ASP 93 -11.215 -1.369 -27.805 738 HA ASP 93 HA ASP 93 -13.726 -2.600 -27.430 739 1HB ASP 93 HB2 ASP 93 -12.891 -1.536 -29.545 740 2HB ASP 93 HB1 ASP 93 -11.863 -2.943 -29.798 741 H GLU 94 HN GLU 94 -10.491 -3.989 -27.861 742 HA GLU 94 HA GLU 94 -11.232 -6.722 -28.006 743 1HB GLU 94 HB2 GLU 94 -8.952 -5.592 -28.515 744 2HB GLU 94 HB1 GLU 94 -8.650 -5.762 -26.794 745 1HG GLU 94 HG2 GLU 94 -9.607 -8.274 -27.665 746 2HG GLU 94 HG1 GLU 94 -8.459 -7.743 -28.892 747 H GLU 95 HN GLU 95 -10.464 -4.581 -25.310 748 HA GLU 95 HA GLU 95 -10.456 -6.468 -23.202 749 1HB GLU 95 HB2 GLU 95 -9.807 -3.910 -23.288 750 2HB GLU 95 HB1 GLU 95 -11.479 -3.683 -22.782 751 1HG GLU 95 HG2 GLU 95 -11.068 -5.189 -20.864 752 2HG GLU 95 HG1 GLU 95 -9.386 -5.332 -21.361 753 H MET 96 HN MET 96 -13.041 -4.333 -24.413 754 HA MET 96 HA MET 96 -15.145 -5.191 -22.750 755 1HB MET 96 HB2 MET 96 -15.152 -3.172 -24.232 756 2HB MET 96 HB1 MET 96 -15.358 -4.235 -25.618 757 1HG MET 96 HG2 MET 96 -17.439 -5.127 -24.390 758 2HG MET 96 HG1 MET 96 -17.275 -3.718 -23.354 759 1HE MET 96 HE1 MET 96 -17.217 -5.005 -26.831 760 2HE MET 96 HE3 MET 96 -18.910 -4.608 -27.154 761 3HE MET 96 HE2 MET 96 -17.622 -3.638 -27.867 762 H ASN 97 HN ASN 97 -14.047 -6.394 -25.905 763 HA ASN 97 HA ASN 97 -16.085 -8.325 -26.300 764 1HB ASN 97 HB2 ASN 97 -14.313 -7.369 -27.966 765 2HB ASN 97 HB1 ASN 97 -13.288 -8.672 -27.370 766 1HD2 ASN 97 HD22 ASN 97 -16.392 -9.427 -29.877 767 2HD2 ASN 97 HD21 ASN 97 -16.050 -7.836 -29.273 768 H THR 98 HN THR 98 -12.821 -8.583 -24.869 769 HA THR 98 HA THR 98 -12.936 -11.375 -24.347 770 HB THR 98 HB THR 98 -11.276 -9.367 -22.818 771 HG1 THR 98 HG1 THR 98 -10.907 -8.949 -24.985 772 1HG2 THR 98 HG21 THR 98 -10.997 -12.302 -23.473 773 2HG2 THR 98 HG23 THR 98 -9.655 -11.322 -22.881 774 3HG2 THR 98 HG22 THR 98 -11.088 -11.548 -21.881 775 H TRP 99 HN TRP 99 -13.801 -8.534 -22.377 776 HA TRP 99 HA TRP 99 -14.273 -9.883 -19.931 777 1HB TRP 99 HB2 TRP 99 -15.183 -7.276 -21.107 778 2HB TRP 99 HB1 TRP 99 -15.988 -7.868 -19.662 779 HD1 TRP 99 HD1 TRP 99 -13.247 -5.646 -20.550 780 HE1 TRP 99 HE1 TRP 99 -11.615 -5.367 -18.608 781 HE3 TRP 99 HE3 TRP 99 -14.693 -9.570 -17.572 782 HZ2 TRP 99 HZ2 TRP 99 -10.975 -6.593 -16.177 783 HZ3 TRP 99 HZ3 TRP 99 -13.501 -9.958 -15.452 784 HH2 TRP 99 HH2 TRP 99 -11.653 -8.486 -14.759 785 H ILE 100 HN ILE 100 -16.540 -8.958 -22.530 786 HA ILE 100 HA ILE 100 -18.854 -10.162 -21.430 787 HB ILE 100 HB ILE 100 -18.102 -9.446 -24.267 788 1HG1 ILE 100 HG12 ILE 100 -20.014 -8.131 -22.328 789 2HG1 ILE 100 HG11 ILE 100 -18.354 -7.609 -22.590 790 1HG2 ILE 100 HG22 ILE 100 -20.667 -10.595 -23.181 791 2HG2 ILE 100 HG21 ILE 100 -20.654 -9.558 -24.607 792 3HG2 ILE 100 HG23 ILE 100 -19.756 -11.078 -24.617 793 1HD1 ILE 100 HD11 ILE 100 -20.472 -7.756 -24.747 794 2HD1 ILE 100 HD13 ILE 100 -20.008 -6.283 -23.889 795 3HD1 ILE 100 HD12 ILE 100 -18.837 -7.115 -24.917 796 H GLN 101 HN GLN 101 -16.303 -11.442 -23.531 797 HA GLN 101 HA GLN 101 -17.591 -13.936 -24.084 798 1HB GLN 101 HB2 GLN 101 -14.788 -12.903 -24.406 799 2HB GLN 101 HB1 GLN 101 -15.120 -14.617 -24.631 800 1HG GLN 101 HG2 GLN 101 -16.573 -12.397 -26.092 801 2HG GLN 101 HG1 GLN 101 -15.199 -13.273 -26.754 802 1HE2 GLN 101 HE22 GLN 101 -18.297 -14.881 -28.015 803 2HE2 GLN 101 HE21 GLN 101 -17.528 -13.328 -28.138 804 H ALA 102 HN ALA 102 -15.036 -13.001 -21.762 805 HA ALA 102 HA ALA 102 -14.644 -15.532 -20.586 806 1HB ALA 102 HB1 ALA 102 -14.310 -12.740 -19.464 807 2HB ALA 102 HB3 ALA 102 -13.796 -14.200 -18.616 808 3HB ALA 102 HB2 ALA 102 -13.067 -13.776 -20.165 809 H ILE 103 HN ILE 103 -17.008 -13.005 -19.939 810 HA ILE 103 HA ILE 103 -18.133 -14.130 -17.565 811 HB ILE 103 HB ILE 103 -19.101 -12.106 -19.584 812 1HG1 ILE 103 HG12 ILE 103 -18.608 -11.566 -16.677 813 2HG1 ILE 103 HG11 ILE 103 -17.232 -11.726 -17.763 814 1HG2 ILE 103 HG21 ILE 103 -20.604 -13.251 -17.249 815 2HG2 ILE 103 HG23 ILE 103 -20.855 -11.580 -17.752 816 3HG2 ILE 103 HG22 ILE 103 -21.167 -12.891 -18.883 817 1HD1 ILE 103 HD13 ILE 103 -18.690 -10.029 -19.225 818 2HD1 ILE 103 HD12 ILE 103 -19.304 -9.608 -17.630 819 3HD1 ILE 103 HD11 ILE 103 -17.577 -9.484 -17.969 820 H SER 104 HN SER 104 -18.987 -14.296 -21.021 821 HA SER 104 HA SER 104 -21.305 -15.935 -20.698 822 1HB SER 104 HB2 SER 104 -19.536 -15.572 -23.129 823 2HB SER 104 HB1 SER 104 -21.176 -16.215 -23.118 824 HG SER 104 HG SER 104 -20.303 -13.565 -22.585 825 H SER 105 HN SER 105 -17.885 -16.629 -20.857 826 HA SER 105 HA SER 105 -18.226 -19.466 -21.444 827 1HB SER 105 HB2 SER 105 -15.744 -17.974 -20.559 828 2HB SER 105 HB1 SER 105 -15.811 -19.586 -21.268 829 HG SER 105 HG SER 105 -16.816 -17.289 -22.614 830 H ALA 106 HN ALA 106 -18.811 -17.687 -18.728 831 HA ALA 106 HA ALA 106 -17.629 -19.501 -16.766 832 1HB ALA 106 HB2 ALA 106 -17.884 -16.967 -16.472 833 2HB ALA 106 HB1 ALA 106 -19.601 -17.286 -16.207 834 3HB ALA 106 HB3 ALA 106 -18.396 -17.981 -15.125 No H/Q in entry = 834 Start of MODEL 43 1 1H MET 1 HT3 MET 1 -7.742 -14.026 -14.821 2 2H MET 1 HT2 MET 1 -9.065 -14.897 -15.459 3 3H MET 1 HT1 MET 1 -7.576 -14.848 -16.302 4 HA MET 1 HA MET 1 -7.862 -12.737 -17.039 5 1HB MET 1 HB2 MET 1 -10.594 -14.000 -16.787 6 2HB MET 1 HB1 MET 1 -10.371 -12.441 -17.582 7 1HG MET 1 HG2 MET 1 -8.428 -13.869 -18.805 8 2HG MET 1 HG1 MET 1 -9.581 -15.153 -18.476 9 1HE MET 1 HE1 MET 1 -8.494 -14.397 -21.144 10 2HE MET 1 HE3 MET 1 -9.922 -15.372 -21.518 11 3HE MET 1 HE2 MET 1 -9.692 -13.808 -22.292 12 H GLU 2 HN GLU 2 -7.360 -10.988 -15.883 13 HA GLU 2 HA GLU 2 -9.371 -9.849 -14.035 14 1HB GLU 2 HB2 GLU 2 -6.404 -9.725 -13.485 15 2HB GLU 2 HB1 GLU 2 -7.730 -9.296 -12.412 16 1HG GLU 2 HG2 GLU 2 -7.174 -11.349 -11.535 17 2HG GLU 2 HG1 GLU 2 -8.377 -11.847 -12.718 18 H GLY 3 HN GLY 3 -8.676 -7.500 -13.507 19 1HA GLY 3 HA2 GLY 3 -7.060 -5.815 -14.816 20 2HA GLY 3 HA1 GLY 3 -8.298 -6.101 -16.039 21 H PHE 4 HN PHE 4 -8.148 -3.605 -15.387 22 HA PHE 4 HA PHE 4 -9.884 -2.926 -13.130 23 1HB PHE 4 HB2 PHE 4 -8.192 -1.386 -15.053 24 2HB PHE 4 HB1 PHE 4 -9.518 -0.562 -14.253 25 HD1 PHE 4 HD1 PHE 4 -9.631 -0.794 -11.658 26 HD2 PHE 4 HD2 PHE 4 -6.138 -1.518 -14.003 27 HE1 PHE 4 HE1 PHE 4 -8.227 -0.482 -9.663 28 HE2 PHE 4 HE2 PHE 4 -4.736 -1.193 -12.015 29 HZ PHE 4 HZ PHE 4 -5.819 -0.592 -9.826 30 H LEU 5 HN LEU 5 -11.858 -1.954 -13.333 31 HA LEU 5 HA LEU 5 -13.130 -1.614 -15.941 32 1HB LEU 5 HB2 LEU 5 -13.699 -3.875 -14.100 33 2HB LEU 5 HB1 LEU 5 -15.111 -3.002 -14.682 34 HG LEU 5 HG LEU 5 -12.983 -4.263 -16.412 35 1HD1 LEU 5 HD12 LEU 5 -15.678 -5.154 -15.484 36 2HD1 LEU 5 HD11 LEU 5 -15.112 -5.639 -17.083 37 3HD1 LEU 5 HD13 LEU 5 -14.183 -6.075 -15.648 38 1HD2 LEU 5 HD23 LEU 5 -15.180 -2.387 -16.989 39 2HD2 LEU 5 HD22 LEU 5 -13.701 -2.720 -17.893 40 3HD2 LEU 5 HD21 LEU 5 -15.092 -3.792 -18.052 41 H ASN 6 HN ASN 6 -14.816 -0.150 -15.847 42 HA ASN 6 HA ASN 6 -15.185 1.288 -13.306 43 1HB ASN 6 HB2 ASN 6 -16.331 1.936 -16.027 44 2HB ASN 6 HB1 ASN 6 -16.353 2.961 -14.613 45 1HD2 ASN 6 HD22 ASN 6 -13.017 2.739 -16.918 46 2HD2 ASN 6 HD21 ASN 6 -14.364 1.674 -17.157 47 H ARG 7 HN ARG 7 -16.947 0.962 -12.055 48 HA ARG 7 HA ARG 7 -19.124 -0.732 -13.159 49 1HB ARG 7 HB2 ARG 7 -17.685 -1.878 -11.503 50 2HB ARG 7 HB1 ARG 7 -18.095 -0.648 -10.316 51 1HG ARG 7 HG2 ARG 7 -20.394 -1.319 -10.282 52 2HG ARG 7 HG1 ARG 7 -20.181 -2.325 -11.711 53 1HD ARG 7 HD2 ARG 7 -20.084 -3.967 -10.120 54 2HD ARG 7 HD1 ARG 7 -18.379 -3.520 -10.144 55 HE ARG 7 HE ARG 7 -19.191 -1.906 -8.213 56 1HH1 ARG 7 HH21 ARG 7 -21.428 -2.566 -6.946 57 2HH1 ARG 7 HH22 ARG 7 -21.237 -4.104 -6.146 58 1HH2 ARG 7 HH11 ARG 7 -18.388 -5.036 -7.968 59 2HH2 ARG 7 HH12 ARG 7 -19.509 -5.502 -6.718 60 H LYS 8 HN LYS 8 -21.116 -0.049 -13.011 61 HA LYS 8 HA LYS 8 -21.853 2.110 -11.144 62 1HB LYS 8 HB2 LYS 8 -21.536 3.215 -13.252 63 2HB LYS 8 HB1 LYS 8 -22.445 1.988 -14.107 64 1HG LYS 8 HG2 LYS 8 -24.041 3.152 -11.980 65 2HG LYS 8 HG1 LYS 8 -23.411 4.403 -13.043 66 1HD LYS 8 HD2 LYS 8 -24.587 3.654 -14.867 67 2HD LYS 8 HD1 LYS 8 -24.609 1.986 -14.309 68 1HE LYS 8 HE2 LYS 8 -26.845 3.104 -14.281 69 2HE LYS 8 HE1 LYS 8 -26.343 2.447 -12.728 70 1HZ LYS 8 HZ1 LYS 8 -25.802 5.266 -13.380 71 2HZ LYS 8 HZ3 LYS 8 -27.344 4.795 -12.851 72 3HZ LYS 8 HZ2 LYS 8 -25.996 4.527 -11.857 73 H HIS 9 HN HIS 9 -23.305 1.221 -9.851 74 HA HIS 9 HA HIS 9 -24.852 -1.093 -10.624 75 1HB HIS 9 HB2 HIS 9 -25.847 -0.834 -8.307 76 2HB HIS 9 HB1 HIS 9 -24.127 -1.151 -8.397 77 HD1 HIS 9 HD1 HIS 9 -24.876 -0.097 -5.822 78 HD2 HIS 9 HD2 HIS 9 -24.186 2.514 -8.965 79 HE1 HIS 9 HE1 HIS 9 -24.283 2.081 -4.744 80 H GLU 10 HN GLU 10 -26.736 -1.064 -11.593 81 HA GLU 10 HA GLU 10 -28.276 1.421 -11.818 82 1HB GLU 10 HB2 GLU 10 -27.916 -0.970 -13.437 83 2HB GLU 10 HB1 GLU 10 -29.625 -0.643 -13.175 84 1HG GLU 10 HG2 GLU 10 -28.782 1.855 -13.778 85 2HG GLU 10 HG1 GLU 10 -27.590 0.923 -14.681 86 H TRP 11 HN TRP 11 -28.534 -1.842 -10.515 87 HA TRP 11 HA TRP 11 -30.621 -1.001 -8.675 88 1HB TRP 11 HB2 TRP 11 -32.028 -1.638 -10.501 89 2HB TRP 11 HB1 TRP 11 -31.080 -3.073 -10.822 90 HD1 TRP 11 HD1 TRP 11 -33.842 -1.787 -8.473 91 HE1 TRP 11 HE1 TRP 11 -34.844 -3.803 -7.252 92 HE3 TRP 11 HE3 TRP 11 -30.573 -5.424 -9.962 93 HZ2 TRP 11 HZ2 TRP 11 -34.347 -6.550 -6.948 94 HZ3 TRP 11 HZ3 TRP 11 -30.889 -7.729 -9.172 95 HH2 TRP 11 HH2 TRP 11 -32.759 -8.291 -7.678 96 H GLU 12 HN GLU 12 -30.718 -2.257 -6.878 97 HA GLU 12 HA GLU 12 -29.749 -4.819 -6.440 98 1HB GLU 12 HB2 GLU 12 -27.685 -4.202 -5.045 99 2HB GLU 12 HB1 GLU 12 -27.504 -4.230 -6.793 100 1HG GLU 12 HG2 GLU 12 -27.610 -1.812 -6.903 101 2HG GLU 12 HG1 GLU 12 -28.007 -1.712 -5.187 102 H ALA 13 HN ALA 13 -30.376 -1.612 -5.293 103 HA ALA 13 HA ALA 13 -32.011 -2.552 -3.122 104 1HB ALA 13 HB3 ALA 13 -29.731 -2.642 -2.099 105 2HB ALA 13 HB2 ALA 13 -29.544 -0.919 -2.432 106 3HB ALA 13 HB1 ALA 13 -30.791 -1.475 -1.313 107 H HIS 14 HN HIS 14 -32.030 -0.095 -1.694 108 HA HIS 14 HA HIS 14 -32.911 2.000 -1.676 109 1HB HIS 14 HB2 HIS 14 -32.047 2.152 -4.579 110 2HB HIS 14 HB1 HIS 14 -32.624 3.495 -3.609 111 HD1 HIS 14 HD1 HIS 14 -31.047 4.387 -1.758 112 HD2 HIS 14 HD2 HIS 14 -29.363 1.442 -4.130 113 HE1 HIS 14 HE1 HIS 14 -28.590 4.486 -1.273 114 H ASN 15 HN ASN 15 -34.013 2.572 -4.779 115 HA ASN 15 HA ASN 15 -36.470 1.019 -4.586 116 1HB ASN 15 HB2 ASN 15 -36.692 3.092 -3.066 117 2HB ASN 15 HB1 ASN 15 -36.712 4.035 -4.554 118 1HD2 ASN 15 HD22 ASN 15 -40.227 3.536 -3.954 119 2HD2 ASN 15 HD21 ASN 15 -38.885 4.534 -3.495 120 H LYS 16 HN LYS 16 -37.073 0.487 -6.550 121 HA LYS 16 HA LYS 16 -37.416 0.417 -8.785 122 1HB LYS 16 HB2 LYS 16 -36.986 3.410 -8.590 123 2HB LYS 16 HB1 LYS 16 -37.427 2.586 -10.077 124 1HG LYS 16 HG2 LYS 16 -39.418 1.634 -8.826 125 2HG LYS 16 HG1 LYS 16 -39.007 2.729 -7.508 126 1HD LYS 16 HD2 LYS 16 -40.640 3.891 -8.749 127 2HD LYS 16 HD1 LYS 16 -39.110 4.609 -9.246 128 1HE LYS 16 HE2 LYS 16 -39.483 2.479 -11.021 129 2HE LYS 16 HE1 LYS 16 -41.091 3.169 -10.826 130 1HZ LYS 16 HZ2 LYS 16 -40.142 5.357 -11.350 131 2HZ LYS 16 HZ1 LYS 16 -38.635 4.616 -11.654 132 3HZ LYS 16 HZ3 LYS 16 -39.979 4.242 -12.630 133 H LYS 17 HN LYS 17 -34.856 2.918 -8.736 134 HA LYS 17 HA LYS 17 -32.762 1.099 -9.478 135 1HB LYS 17 HB2 LYS 17 -34.074 2.815 -11.582 136 2HB LYS 17 HB1 LYS 17 -32.359 2.445 -11.690 137 1HG LYS 17 HG2 LYS 17 -33.307 -0.040 -11.266 138 2HG LYS 17 HG1 LYS 17 -34.700 0.668 -12.078 139 1HD LYS 17 HD2 LYS 17 -33.137 1.425 -13.905 140 2HD LYS 17 HD1 LYS 17 -31.868 0.491 -13.119 141 1HE LYS 17 HE2 LYS 17 -33.859 -1.369 -13.289 142 2HE LYS 17 HE1 LYS 17 -34.172 -0.417 -14.733 143 1HZ LYS 17 HZ2 LYS 17 -31.556 -0.731 -14.973 144 2HZ LYS 17 HZ1 LYS 17 -31.912 -2.154 -14.101 145 3HZ LYS 17 HZ3 LYS 17 -32.681 -1.852 -15.584 146 H ALA 18 HN ALA 18 -30.727 2.250 -9.794 147 HA ALA 18 HA ALA 18 -30.637 4.784 -8.264 148 1HB ALA 18 HB2 ALA 18 -28.607 2.600 -8.761 149 2HB ALA 18 HB1 ALA 18 -28.151 4.179 -8.116 150 3HB ALA 18 HB3 ALA 18 -29.268 3.150 -7.221 151 H SER 19 HN SER 19 -31.229 6.090 -10.050 152 HA SER 19 HA SER 19 -29.601 6.109 -12.463 153 1HB SER 19 HB2 SER 19 -31.669 8.171 -11.715 154 2HB SER 19 HB1 SER 19 -31.150 7.656 -13.318 155 HG SER 19 HG SER 19 -32.971 6.528 -13.112 156 H SER 20 HN SER 20 -28.046 6.565 -10.209 157 HA SER 20 HA SER 20 -27.470 9.455 -10.160 158 1HB SER 20 HB2 SER 20 -25.757 7.864 -8.438 159 2HB SER 20 HB1 SER 20 -26.891 9.141 -8.016 160 HG SER 20 HG SER 20 -28.583 7.518 -8.124 161 H ARG 21 HN ARG 21 -25.110 10.036 -10.169 162 HA ARG 21 HA ARG 21 -23.795 8.806 -12.469 163 1HB ARG 21 HB2 ARG 21 -23.943 11.331 -11.943 164 2HB ARG 21 HB1 ARG 21 -22.663 11.028 -10.773 165 1HG ARG 21 HG2 ARG 21 -21.456 9.865 -12.788 166 2HG ARG 21 HG1 ARG 21 -22.588 10.793 -13.765 167 1HD ARG 21 HD2 ARG 21 -20.756 12.224 -13.637 168 2HD ARG 21 HD1 ARG 21 -21.787 12.822 -12.337 169 HE ARG 21 HE ARG 21 -19.862 10.815 -11.481 170 1HH1 ARG 21 HH11 ARG 21 -20.732 13.032 -9.657 171 2HH1 ARG 21 HH12 ARG 21 -19.357 14.118 -9.672 172 1HH2 ARG 21 HH21 ARG 21 -17.939 12.691 -12.575 173 2HH2 ARG 21 HH22 ARG 21 -17.745 13.899 -11.330 174 H SER 22 HN SER 22 -23.942 6.934 -10.522 175 HA SER 22 HA SER 22 -21.529 6.860 -8.913 176 1HB SER 22 HB2 SER 22 -22.935 4.325 -9.083 177 2HB SER 22 HB1 SER 22 -22.666 5.366 -7.695 178 HG SER 22 HG SER 22 -24.822 5.453 -7.887 179 H TRP 23 HN TRP 23 -19.756 6.697 -10.158 180 HA TRP 23 HA TRP 23 -19.447 4.281 -11.831 181 1HB TRP 23 HB2 TRP 23 -19.061 7.144 -12.640 182 2HB TRP 23 HB1 TRP 23 -17.912 5.959 -13.247 183 HD1 TRP 23 HD1 TRP 23 -21.256 7.406 -14.051 184 HE1 TRP 23 HE1 TRP 23 -22.387 6.019 -15.882 185 HE3 TRP 23 HE3 TRP 23 -18.203 3.291 -14.074 186 HZ2 TRP 23 HZ2 TRP 23 -22.056 3.526 -17.183 187 HZ3 TRP 23 HZ3 TRP 23 -18.653 1.463 -15.631 188 HH2 TRP 23 HH2 TRP 23 -20.558 1.573 -17.188 189 H HIS 24 HN HIS 24 -18.228 3.258 -10.294 190 HA HIS 24 HA HIS 24 -15.777 4.603 -9.321 191 1HB HIS 24 HB2 HIS 24 -15.752 2.575 -7.700 192 2HB HIS 24 HB1 HIS 24 -16.889 3.883 -7.411 193 HD1 HIS 24 HD1 HIS 24 -19.414 3.378 -8.058 194 HD2 HIS 24 HD2 HIS 24 -16.928 0.073 -8.052 195 HE1 HIS 24 HE1 HIS 24 -20.958 1.409 -8.019 196 H ASN 25 HN ASN 25 -13.813 3.830 -9.766 197 HA ASN 25 HA ASN 25 -13.530 1.780 -11.828 198 1HB ASN 25 HB2 ASN 25 -12.255 3.968 -11.843 199 2HB ASN 25 HB1 ASN 25 -11.384 3.404 -10.422 200 1HD2 ASN 25 HD22 ASN 25 -8.976 2.233 -12.715 201 2HD2 ASN 25 HD21 ASN 25 -9.391 3.421 -11.510 202 H VAL 26 HN VAL 26 -13.565 -0.276 -11.119 203 HA VAL 26 HA VAL 26 -12.121 -0.962 -8.619 204 HB VAL 26 HB VAL 26 -14.651 -1.017 -8.537 205 1HG1 VAL 26 HG11 VAL 26 -14.889 -2.020 -10.854 206 2HG1 VAL 26 HG13 VAL 26 -14.412 -3.559 -10.138 207 3HG1 VAL 26 HG12 VAL 26 -15.876 -2.743 -9.586 208 1HG2 VAL 26 HG22 VAL 26 -13.035 -2.312 -7.048 209 2HG2 VAL 26 HG21 VAL 26 -14.710 -2.860 -7.108 210 3HG2 VAL 26 HG23 VAL 26 -13.468 -3.727 -8.012 211 H TYR 27 HN TYR 27 -11.174 -3.050 -8.542 212 HA TYR 27 HA TYR 27 -10.242 -4.017 -11.168 213 1HB TYR 27 HB2 TYR 27 -8.693 -3.322 -9.234 214 2HB TYR 27 HB1 TYR 27 -9.178 -4.823 -8.466 215 HD1 TYR 27 HD1 TYR 27 -7.384 -3.333 -11.306 216 HD2 TYR 27 HD2 TYR 27 -8.394 -6.958 -9.290 217 HE1 TYR 27 HE1 TYR 27 -5.661 -4.527 -12.590 218 HE2 TYR 27 HE2 TYR 27 -6.669 -8.153 -10.580 219 HH TYR 27 HH TYR 27 -4.954 -7.965 -11.998 220 H CYS 28 HN CYS 28 -11.422 -5.621 -11.978 221 HA CYS 28 HA CYS 28 -12.859 -7.489 -10.222 222 1HB CYS 28 HB2 CYS 28 -12.999 -7.108 -13.220 223 2HB CYS 28 HB1 CYS 28 -14.054 -8.130 -12.251 224 HG CYS 28 HG CYS 28 -14.028 -5.052 -11.781 225 H VAL 29 HN VAL 29 -12.240 -9.530 -9.939 226 HA VAL 29 HA VAL 29 -10.199 -10.713 -11.740 227 HB VAL 29 HB VAL 29 -10.449 -10.923 -8.731 228 1HG1 VAL 29 HG12 VAL 29 -8.973 -12.613 -10.694 229 2HG1 VAL 29 HG11 VAL 29 -8.193 -12.238 -9.158 230 3HG1 VAL 29 HG13 VAL 29 -9.754 -13.063 -9.176 231 1HG2 VAL 29 HG22 VAL 29 -8.946 -9.179 -10.408 232 2HG2 VAL 29 HG21 VAL 29 -8.950 -9.284 -8.649 233 3HG2 VAL 29 HG23 VAL 29 -7.824 -10.267 -9.592 234 H ILE 30 HN ILE 30 -11.117 -12.349 -12.835 235 HA ILE 30 HA ILE 30 -13.466 -13.746 -11.773 236 HB ILE 30 HB ILE 30 -12.018 -14.211 -14.387 237 1HG1 ILE 30 HG12 ILE 30 -14.394 -12.420 -13.832 238 2HG1 ILE 30 HG11 ILE 30 -12.771 -11.865 -14.230 239 1HG2 ILE 30 HG21 ILE 30 -14.670 -15.083 -13.269 240 2HG2 ILE 30 HG23 ILE 30 -14.389 -15.011 -15.009 241 3HG2 ILE 30 HG22 ILE 30 -13.395 -16.057 -13.999 242 1HD1 ILE 30 HD11 ILE 30 -13.107 -13.404 -16.347 243 2HD1 ILE 30 HD13 ILE 30 -14.816 -13.150 -15.985 244 3HD1 ILE 30 HD12 ILE 30 -13.767 -11.768 -16.303 245 H ASN 31 HN ASN 31 -13.259 -15.522 -10.587 246 HA ASN 31 HA ASN 31 -10.781 -17.142 -10.756 247 1HB ASN 31 HB2 ASN 31 -11.465 -16.029 -8.542 248 2HB ASN 31 HB1 ASN 31 -12.790 -17.185 -8.496 249 1HD2 ASN 31 HD22 ASN 31 -10.747 -19.606 -7.040 250 2HD2 ASN 31 HD21 ASN 31 -12.302 -18.828 -7.170 251 H ASN 32 HN ASN 32 -12.628 -17.499 -12.743 252 HA ASN 32 HA ASN 32 -13.768 -19.093 -13.906 253 1HB ASN 32 HB2 ASN 32 -12.531 -20.833 -11.768 254 2HB ASN 32 HB1 ASN 32 -13.578 -21.498 -13.012 255 1HD2 ASN 32 HD22 ASN 32 -9.750 -20.567 -13.872 256 2HD2 ASN 32 HD21 ASN 32 -10.419 -20.412 -12.278 257 H GLN 33 HN GLN 33 -15.856 -18.510 -13.833 258 HA GLN 33 HA GLN 33 -18.105 -18.878 -13.457 259 1HB GLN 33 HB2 GLN 33 -17.281 -21.167 -12.475 260 2HB GLN 33 HB1 GLN 33 -17.619 -20.409 -10.920 261 1HG GLN 33 HG2 GLN 33 -19.927 -19.823 -11.965 262 2HG GLN 33 HG1 GLN 33 -19.521 -21.052 -13.161 263 1HE2 GLN 33 HE22 GLN 33 -19.762 -23.778 -10.904 264 2HE2 GLN 33 HE21 GLN 33 -19.028 -23.207 -12.375 265 H GLU 34 HN GLU 34 -16.076 -18.148 -10.650 266 HA GLU 34 HA GLU 34 -18.071 -16.163 -9.711 267 1HB GLU 34 HB2 GLU 34 -16.802 -16.423 -7.499 268 2HB GLU 34 HB1 GLU 34 -17.861 -17.742 -7.979 269 1HG GLU 34 HG2 GLU 34 -16.160 -19.219 -8.192 270 2HG GLU 34 HG1 GLU 34 -15.113 -18.047 -8.985 271 H MET 35 HN MET 35 -17.142 -14.201 -8.747 272 HA MET 35 HA MET 35 -14.399 -13.564 -9.612 273 1HB MET 35 HB2 MET 35 -15.104 -11.444 -10.583 274 2HB MET 35 HB1 MET 35 -15.902 -12.783 -11.403 275 1HG MET 35 HG2 MET 35 -17.875 -12.381 -9.849 276 2HG MET 35 HG1 MET 35 -17.080 -10.895 -9.359 277 1HE MET 35 HE3 MET 35 -16.252 -9.226 -10.806 278 2HE MET 35 HE2 MET 35 -16.267 -9.323 -12.565 279 3HE MET 35 HE1 MET 35 -17.520 -8.408 -11.730 280 H GLY 36 HN GLY 36 -13.634 -11.510 -8.674 281 1HA GLY 36 HA2 GLY 36 -14.880 -10.832 -6.081 282 2HA GLY 36 HA1 GLY 36 -13.170 -11.225 -6.177 283 H PHE 37 HN PHE 37 -14.737 -8.704 -5.512 284 HA PHE 37 HA PHE 37 -13.658 -6.834 -7.532 285 1HB PHE 37 HB2 PHE 37 -15.708 -6.471 -5.338 286 2HB PHE 37 HB1 PHE 37 -15.112 -5.166 -6.356 287 HD1 PHE 37 HD1 PHE 37 -15.433 -5.359 -8.882 288 HD2 PHE 37 HD2 PHE 37 -17.462 -7.838 -6.058 289 HE1 PHE 37 HE1 PHE 37 -17.129 -5.913 -10.583 290 HE2 PHE 37 HE2 PHE 37 -19.158 -8.385 -7.752 291 HZ PHE 37 HZ PHE 37 -18.961 -7.430 -10.050 292 H TYR 38 HN TYR 38 -11.707 -6.049 -7.100 293 HA TYR 38 HA TYR 38 -10.953 -5.420 -4.294 294 1HB TYR 38 HB2 TYR 38 -9.136 -6.401 -6.505 295 2HB TYR 38 HB1 TYR 38 -8.661 -6.043 -4.848 296 HD1 TYR 38 HD1 TYR 38 -9.426 -7.488 -3.002 297 HD2 TYR 38 HD2 TYR 38 -10.230 -8.462 -7.070 298 HE1 TYR 38 HE1 TYR 38 -9.981 -9.784 -2.327 299 HE2 TYR 38 HE2 TYR 38 -10.771 -10.773 -6.404 300 HH TYR 38 HH TYR 38 -10.227 -11.927 -3.140 301 H LYS 39 HN LYS 39 -8.922 -3.907 -4.337 302 HA LYS 39 HA LYS 39 -9.743 -1.476 -5.677 303 1HB LYS 39 HB2 LYS 39 -8.927 -1.402 -3.402 304 2HB LYS 39 HB1 LYS 39 -7.393 -2.109 -3.888 305 1HG LYS 39 HG2 LYS 39 -6.559 -0.128 -4.564 306 2HG LYS 39 HG1 LYS 39 -8.050 0.330 -5.381 307 1HD LYS 39 HD2 LYS 39 -7.398 1.825 -3.464 308 2HD LYS 39 HD1 LYS 39 -9.020 1.151 -3.360 309 1HE LYS 39 HE2 LYS 39 -8.510 0.382 -1.317 310 2HE LYS 39 HE1 LYS 39 -7.347 -0.708 -2.058 311 1HZ LYS 39 HZ3 LYS 39 -6.384 1.992 -1.735 312 2HZ LYS 39 HZ2 LYS 39 -6.745 1.198 -0.268 313 3HZ LYS 39 HZ1 LYS 39 -5.636 0.500 -1.364 314 H ASP 40 HN ASP 40 -7.038 -3.759 -6.011 315 HA ASP 40 HA ASP 40 -6.610 -3.026 -8.744 316 1HB ASP 40 HB2 ASP 40 -4.517 -1.977 -8.670 317 2HB ASP 40 HB1 ASP 40 -5.403 -1.178 -7.382 318 H ALA 41 HN ALA 41 -4.128 -4.009 -9.214 319 HA ALA 41 HA ALA 41 -4.487 -6.818 -9.099 320 1HB ALA 41 HB2 ALA 41 -3.165 -5.677 -10.845 321 2HB ALA 41 HB1 ALA 41 -1.940 -5.269 -9.640 322 3HB ALA 41 HB3 ALA 41 -2.244 -6.960 -10.055 323 H LYS 42 HN LYS 42 -2.486 -4.627 -7.136 324 HA LYS 42 HA LYS 42 -1.151 -6.651 -5.626 325 1HB LYS 42 HB2 LYS 42 -1.709 -3.743 -4.992 326 2HB LYS 42 HB1 LYS 42 -0.652 -4.788 -4.049 327 1HG LYS 42 HG2 LYS 42 0.568 -5.204 -6.310 328 2HG LYS 42 HG1 LYS 42 -0.271 -3.754 -6.850 329 1HD LYS 42 HD2 LYS 42 1.725 -2.878 -6.062 330 2HD LYS 42 HD1 LYS 42 0.675 -2.699 -4.658 331 1HE LYS 42 HE2 LYS 42 1.680 -5.213 -4.251 332 2HE LYS 42 HE1 LYS 42 3.041 -4.432 -5.051 333 1HZ LYS 42 HZ1 LYS 42 1.641 -3.326 -2.680 334 2HZ LYS 42 HZ3 LYS 42 3.083 -4.235 -2.610 335 3HZ LYS 42 HZ2 LYS 42 3.069 -2.729 -3.411 336 H SER 43 HN SER 43 -4.021 -4.643 -4.968 337 HA SER 43 HA SER 43 -4.629 -5.755 -2.422 338 1HB SER 43 HB2 SER 43 -6.569 -4.477 -4.345 339 2HB SER 43 HB1 SER 43 -6.708 -4.600 -2.592 340 HG SER 43 HG SER 43 -4.934 -3.000 -4.129 341 H ALA 44 HN ALA 44 -5.374 -6.762 -5.687 342 HA ALA 44 HA ALA 44 -7.415 -8.647 -5.042 343 1HB ALA 44 HB1 ALA 44 -5.691 -8.249 -7.484 344 2HB ALA 44 HB3 ALA 44 -6.934 -9.499 -7.375 345 3HB ALA 44 HB2 ALA 44 -7.381 -7.795 -7.265 346 H ALA 45 HN ALA 45 -3.928 -8.865 -5.640 347 HA ALA 45 HA ALA 45 -3.754 -11.713 -5.390 348 1HB ALA 45 HB1 ALA 45 -2.082 -10.180 -6.549 349 2HB ALA 45 HB3 ALA 45 -1.500 -9.748 -4.941 350 3HB ALA 45 HB2 ALA 45 -1.396 -11.419 -5.500 351 H SER 46 HN SER 46 -3.197 -9.006 -3.177 352 HA SER 46 HA SER 46 -2.336 -10.575 -0.951 353 1HB SER 46 HB2 SER 46 -3.584 -7.818 -0.886 354 2HB SER 46 HB1 SER 46 -2.543 -8.549 0.335 355 HG SER 46 HG SER 46 -1.854 -7.695 -2.292 356 H GLY 47 HN GLY 47 -5.486 -9.499 -2.098 357 1HA GLY 47 HA2 GLY 47 -7.556 -10.478 -1.644 358 2HA GLY 47 HA1 GLY 47 -6.830 -11.376 -0.314 359 H ILE 48 HN ILE 48 -7.118 -7.910 -1.114 360 HA ILE 48 HA ILE 48 -8.020 -7.351 1.648 361 HB ILE 48 HB ILE 48 -7.073 -5.426 -0.492 362 1HG1 ILE 48 HG12 ILE 48 -5.563 -6.656 1.832 363 2HG1 ILE 48 HG11 ILE 48 -5.246 -6.931 0.124 364 1HG2 ILE 48 HG22 ILE 48 -8.525 -4.435 1.250 365 2HG2 ILE 48 HG21 ILE 48 -7.419 -5.036 2.484 366 3HG2 ILE 48 HG23 ILE 48 -6.874 -3.822 1.328 367 1HD1 ILE 48 HD13 ILE 48 -4.929 -4.326 0.048 368 2HD1 ILE 48 HD12 ILE 48 -4.694 -4.500 1.790 369 3HD1 ILE 48 HD11 ILE 48 -3.631 -5.351 0.665 370 HA PRO 49 HA PRO 49 -12.094 -6.927 -0.211 371 1HB PRO 49 HB2 PRO 49 -13.441 -6.137 2.022 372 2HB PRO 49 HB1 PRO 49 -12.977 -7.812 1.690 373 1HG PRO 49 HG2 PRO 49 -11.696 -5.811 3.497 374 2HG PRO 49 HG1 PRO 49 -11.929 -7.552 3.725 375 1HD PRO 49 HD2 PRO 49 -9.549 -6.423 2.950 376 2HD PRO 49 HD1 PRO 49 -10.029 -8.088 2.564 377 H TYR 50 HN TYR 50 -12.759 -5.263 -1.422 378 HA TYR 50 HA TYR 50 -12.129 -2.491 -0.621 379 1HB TYR 50 HB2 TYR 50 -11.286 -3.323 -2.791 380 2HB TYR 50 HB1 TYR 50 -12.938 -3.602 -3.316 381 HD1 TYR 50 HD1 TYR 50 -11.106 -0.777 -1.656 382 HD2 TYR 50 HD2 TYR 50 -13.662 -2.021 -4.846 383 HE1 TYR 50 HE1 TYR 50 -11.215 1.541 -2.477 384 HE2 TYR 50 HE2 TYR 50 -13.759 0.300 -5.664 385 HH TYR 50 HH TYR 50 -12.991 2.906 -3.908 386 H HIS 51 HN HIS 51 -14.756 -4.001 -2.504 387 HA HIS 51 HA HIS 51 -16.666 -2.003 -1.601 388 1HB HIS 51 HB2 HIS 51 -16.425 -3.857 -3.810 389 2HB HIS 51 HB1 HIS 51 -17.992 -4.064 -3.046 390 HD1 HIS 51 HD1 HIS 51 -19.630 -2.763 -4.325 391 HD2 HIS 51 HD2 HIS 51 -16.063 -0.698 -3.945 392 HE1 HIS 51 HE1 HIS 51 -20.031 -0.567 -5.461 393 H SER 52 HN SER 52 -18.980 -3.059 -1.183 394 HA SER 52 HA SER 52 -18.828 -4.344 1.378 395 1HB SER 52 HB2 SER 52 -21.491 -4.500 0.590 396 2HB SER 52 HB1 SER 52 -20.759 -3.182 1.498 397 HG SER 52 HG SER 52 -21.912 -2.504 -0.434 398 H GLU 53 HN GLU 53 -20.129 -5.292 -1.793 399 HA GLU 53 HA GLU 53 -20.197 -8.131 -1.011 400 1HB GLU 53 HB2 GLU 53 -21.183 -6.719 -3.506 401 2HB GLU 53 HB1 GLU 53 -21.378 -8.436 -3.164 402 1HG GLU 53 HG2 GLU 53 -22.676 -7.824 -1.114 403 2HG GLU 53 HG1 GLU 53 -22.562 -6.131 -1.594 404 H VAL 54 HN VAL 54 -17.916 -8.454 -0.954 405 HA VAL 54 HA VAL 54 -16.238 -7.747 -3.162 406 HB VAL 54 HB VAL 54 -15.282 -9.863 -1.316 407 1HG1 VAL 54 HG12 VAL 54 -13.958 -8.563 -3.081 408 2HG1 VAL 54 HG11 VAL 54 -14.021 -7.216 -1.944 409 3HG1 VAL 54 HG13 VAL 54 -13.251 -8.730 -1.473 410 1HG2 VAL 54 HG21 VAL 54 -15.989 -7.087 -0.357 411 2HG2 VAL 54 HG23 VAL 54 -16.558 -8.625 0.294 412 3HG2 VAL 54 HG22 VAL 54 -14.869 -8.160 0.475 413 HA PRO 55 HA PRO 55 -16.520 -12.261 -4.533 414 1HB PRO 55 HB2 PRO 55 -17.674 -14.150 -2.965 415 2HB PRO 55 HB1 PRO 55 -16.007 -13.599 -2.759 416 1HG PRO 55 HG2 PRO 55 -18.314 -13.152 -1.035 417 2HG PRO 55 HG1 PRO 55 -16.600 -12.881 -0.698 418 1HD PRO 55 HD2 PRO 55 -18.643 -10.951 -1.503 419 2HD PRO 55 HD1 PRO 55 -17.014 -10.658 -0.878 420 H VAL 56 HN VAL 56 -17.895 -12.674 -6.199 421 HA VAL 56 HA VAL 56 -20.765 -12.951 -5.652 422 HB VAL 56 HB VAL 56 -19.648 -10.660 -6.887 423 1HG1 VAL 56 HG11 VAL 56 -19.696 -11.875 -9.037 424 2HG1 VAL 56 HG13 VAL 56 -21.422 -12.160 -8.815 425 3HG1 VAL 56 HG12 VAL 56 -20.812 -10.516 -8.998 426 1HG2 VAL 56 HG22 VAL 56 -22.486 -11.619 -6.546 427 2HG2 VAL 56 HG21 VAL 56 -21.552 -10.651 -5.399 428 3HG2 VAL 56 HG23 VAL 56 -22.030 -9.961 -6.953 429 H SER 57 HN SER 57 -21.893 -14.174 -7.068 430 HA SER 57 HA SER 57 -20.337 -16.071 -8.674 431 1HB SER 57 HB2 SER 57 -23.194 -16.459 -7.943 432 2HB SER 57 HB1 SER 57 -21.918 -17.633 -8.124 433 HG SER 57 HG SER 57 -22.251 -15.806 -5.969 434 H LEU 58 HN LEU 58 -20.676 -16.260 -10.859 435 HA LEU 58 HA LEU 58 -22.493 -14.351 -12.155 436 1HB LEU 58 HB2 LEU 58 -20.381 -16.221 -13.260 437 2HB LEU 58 HB1 LEU 58 -21.384 -15.174 -14.256 438 HG LEU 58 HG LEU 58 -19.647 -14.144 -12.020 439 1HD1 LEU 58 HD23 LEU 58 -18.981 -14.633 -14.908 440 2HD1 LEU 58 HD22 LEU 58 -18.163 -13.377 -13.980 441 3HD1 LEU 58 HD21 LEU 58 -18.055 -15.061 -13.467 442 1HD2 LEU 58 HD13 LEU 58 -21.347 -12.909 -14.124 443 2HD2 LEU 58 HD12 LEU 58 -21.099 -12.428 -12.447 444 3HD2 LEU 58 HD11 LEU 58 -19.867 -12.073 -13.660 445 H LYS 59 HN LYS 59 -23.967 -16.135 -10.793 446 HA LYS 59 HA LYS 59 -24.711 -18.466 -12.312 447 1HB LYS 59 HB2 LYS 59 -24.942 -18.010 -9.749 448 2HB LYS 59 HB1 LYS 59 -26.439 -17.200 -10.194 449 1HG LYS 59 HG2 LYS 59 -27.219 -19.266 -11.300 450 2HG LYS 59 HG1 LYS 59 -25.721 -20.072 -10.845 451 1HD LYS 59 HD2 LYS 59 -27.300 -18.794 -8.669 452 2HD LYS 59 HD1 LYS 59 -27.954 -20.265 -9.388 453 1HE LYS 59 HE2 LYS 59 -25.809 -21.417 -8.931 454 2HE LYS 59 HE1 LYS 59 -25.194 -19.951 -8.173 455 1HZ LYS 59 HZ2 LYS 59 -27.715 -20.720 -7.083 456 2HZ LYS 59 HZ1 LYS 59 -26.565 -21.974 -6.941 457 3HZ LYS 59 HZ3 LYS 59 -26.229 -20.435 -6.292 458 H GLU 60 HN GLU 60 -25.574 -18.135 -14.285 459 HA GLU 60 HA GLU 60 -26.956 -17.428 -15.966 460 1HB GLU 60 HB2 GLU 60 -28.834 -16.567 -13.746 461 2HB GLU 60 HB1 GLU 60 -29.254 -16.864 -15.429 462 1HG GLU 60 HG2 GLU 60 -28.445 -19.250 -15.082 463 2HG GLU 60 HG1 GLU 60 -28.372 -18.883 -13.359 464 H ALA 61 HN ALA 61 -24.959 -15.828 -15.638 465 HA ALA 61 HA ALA 61 -25.670 -13.084 -15.058 466 1HB ALA 61 HB2 ALA 61 -23.171 -14.444 -16.073 467 2HB ALA 61 HB1 ALA 61 -23.302 -12.689 -15.936 468 3HB ALA 61 HB3 ALA 61 -23.453 -13.699 -14.496 469 H ILE 62 HN ILE 62 -27.078 -12.200 -16.480 470 HA ILE 62 HA ILE 62 -26.905 -12.669 -19.339 471 HB ILE 62 HB ILE 62 -28.540 -10.496 -18.044 472 1HG1 ILE 62 HG12 ILE 62 -29.131 -13.466 -18.072 473 2HG1 ILE 62 HG11 ILE 62 -29.061 -12.391 -16.678 474 1HG2 ILE 62 HG23 ILE 62 -28.290 -10.855 -20.574 475 2HG2 ILE 62 HG22 ILE 62 -29.263 -12.307 -20.337 476 3HG2 ILE 62 HG21 ILE 62 -29.929 -10.724 -19.934 477 1HD1 ILE 62 HD11 ILE 62 -30.973 -11.219 -18.337 478 2HD1 ILE 62 HD13 ILE 62 -31.293 -12.951 -18.455 479 3HD1 ILE 62 HD12 ILE 62 -31.285 -12.160 -16.877 480 H CYS 63 HN CYS 63 -25.901 -11.389 -20.801 481 HA CYS 63 HA CYS 63 -24.759 -8.817 -19.898 482 1HB CYS 63 HB2 CYS 63 -23.168 -10.895 -19.906 483 2HB CYS 63 HB1 CYS 63 -23.155 -10.643 -21.646 484 HG CYS 63 HG CYS 63 -21.318 -9.250 -20.016 485 H GLU 64 HN GLU 64 -24.909 -7.203 -21.296 486 HA GLU 64 HA GLU 64 -25.521 -7.696 -24.147 487 1HB GLU 64 HB2 GLU 64 -26.968 -5.609 -22.504 488 2HB GLU 64 HB1 GLU 64 -27.300 -6.101 -24.160 489 1HG GLU 64 HG2 GLU 64 -28.156 -8.222 -23.449 490 2HG GLU 64 HG1 GLU 64 -27.612 -7.956 -21.792 491 H VAL 65 HN VAL 65 -24.767 -6.025 -25.525 492 HA VAL 65 HA VAL 65 -22.596 -4.426 -24.420 493 HB VAL 65 HB VAL 65 -23.629 -4.447 -27.263 494 1HG1 VAL 65 HG11 VAL 65 -20.958 -3.699 -26.057 495 2HG1 VAL 65 HG13 VAL 65 -21.297 -3.788 -27.791 496 3HG1 VAL 65 HG12 VAL 65 -22.130 -2.601 -26.787 497 1HG2 VAL 65 HG23 VAL 65 -21.733 -6.334 -25.879 498 2HG2 VAL 65 HG22 VAL 65 -23.153 -6.717 -26.850 499 3HG2 VAL 65 HG21 VAL 65 -21.704 -6.086 -27.628 500 H ALA 66 HN ALA 66 -22.637 -2.294 -23.999 501 HA ALA 66 HA ALA 66 -25.071 -0.722 -24.653 502 1HB ALA 66 HB1 ALA 66 -23.357 -0.748 -22.169 503 2HB ALA 66 HB3 ALA 66 -24.391 0.622 -22.569 504 3HB ALA 66 HB2 ALA 66 -25.098 -0.972 -22.301 505 H LEU 67 HN LEU 67 -24.255 0.087 -26.546 506 HA LEU 67 HA LEU 67 -21.728 1.579 -26.505 507 1HB LEU 67 HB2 LEU 67 -22.277 -0.068 -28.346 508 2HB LEU 67 HB1 LEU 67 -23.529 1.053 -28.873 509 HG LEU 67 HG LEU 67 -21.913 2.748 -29.366 510 1HD1 LEU 67 HD13 LEU 67 -20.023 1.001 -27.838 511 2HD1 LEU 67 HD12 LEU 67 -19.406 2.069 -29.096 512 3HD1 LEU 67 HD11 LEU 67 -20.284 2.745 -27.724 513 1HD2 LEU 67 HD23 LEU 67 -22.025 0.365 -30.725 514 2HD2 LEU 67 HD22 LEU 67 -21.238 1.837 -31.297 515 3HD2 LEU 67 HD21 LEU 67 -20.291 0.590 -30.479 516 H ASP 68 HN ASP 68 -25.219 2.061 -26.806 517 HA ASP 68 HA ASP 68 -24.818 4.978 -27.128 518 1HB ASP 68 HB2 ASP 68 -26.361 3.713 -28.712 519 2HB ASP 68 HB1 ASP 68 -27.437 3.470 -27.338 520 H TYR 69 HN TYR 69 -24.050 4.879 -24.857 521 HA TYR 69 HA TYR 69 -26.274 5.163 -22.930 522 1HB TYR 69 HB2 TYR 69 -24.784 3.107 -22.594 523 2HB TYR 69 HB1 TYR 69 -23.478 4.229 -22.234 524 HD1 TYR 69 HD1 TYR 69 -27.078 3.981 -21.255 525 HD2 TYR 69 HD2 TYR 69 -23.026 4.354 -19.972 526 HE1 TYR 69 HE1 TYR 69 -27.834 4.141 -18.925 527 HE2 TYR 69 HE2 TYR 69 -23.792 4.528 -17.638 528 HH TYR 69 HH TYR 69 -25.771 5.117 -16.379 529 H LYS 70 HN LYS 70 -25.383 6.483 -20.941 530 HA LYS 70 HA LYS 70 -24.201 8.976 -21.992 531 1HB LYS 70 HB2 LYS 70 -25.493 8.530 -19.290 532 2HB LYS 70 HB1 LYS 70 -25.154 10.068 -20.083 533 1HG LYS 70 HG2 LYS 70 -26.706 9.097 -21.970 534 2HG LYS 70 HG1 LYS 70 -27.293 8.054 -20.682 535 1HD LYS 70 HD2 LYS 70 -27.118 10.944 -20.072 536 2HD LYS 70 HD1 LYS 70 -28.340 10.469 -21.237 537 1HE LYS 70 HE2 LYS 70 -29.288 10.504 -18.987 538 2HE LYS 70 HE1 LYS 70 -29.273 8.867 -19.629 539 1HZ LYS 70 HZ2 LYS 70 -26.948 9.647 -18.075 540 2HZ LYS 70 HZ1 LYS 70 -28.412 9.506 -17.213 541 3HZ LYS 70 HZ3 LYS 70 -27.817 8.175 -18.100 542 H LYS 71 HN LYS 71 -22.152 9.566 -21.474 543 HA LYS 71 HA LYS 71 -20.050 9.560 -20.539 544 1HB LYS 71 HB2 LYS 71 -21.373 9.966 -18.401 545 2HB LYS 71 HB1 LYS 71 -21.285 8.234 -18.102 546 1HG LYS 71 HG2 LYS 71 -18.654 9.100 -18.705 547 2HG LYS 71 HG1 LYS 71 -19.328 10.253 -17.557 548 1HD LYS 71 HD2 LYS 71 -19.843 8.500 -15.986 549 2HD LYS 71 HD1 LYS 71 -19.424 7.255 -17.162 550 1HE LYS 71 HE2 LYS 71 -17.607 7.492 -15.580 551 2HE LYS 71 HE1 LYS 71 -17.083 8.081 -17.156 552 1HZ LYS 71 HZ2 LYS 71 -18.219 10.218 -15.734 553 2HZ LYS 71 HZ1 LYS 71 -17.078 9.439 -14.734 554 3HZ LYS 71 HZ3 LYS 71 -16.607 10.024 -16.264 555 H LYS 72 HN LYS 72 -19.720 8.003 -22.282 556 HA LYS 72 HA LYS 72 -19.058 5.293 -21.272 557 1HB LYS 72 HB2 LYS 72 -20.069 4.446 -23.433 558 2HB LYS 72 HB1 LYS 72 -21.213 5.081 -22.253 559 1HG LYS 72 HG2 LYS 72 -21.653 6.987 -23.503 560 2HG LYS 72 HG1 LYS 72 -20.086 6.961 -24.298 561 1HD LYS 72 HD2 LYS 72 -20.852 4.911 -25.544 562 2HD LYS 72 HD1 LYS 72 -22.454 5.192 -24.876 563 1HE LYS 72 HE2 LYS 72 -22.585 6.263 -26.956 564 2HE LYS 72 HE1 LYS 72 -22.208 7.585 -25.863 565 1HZ LYS 72 HZ3 LYS 72 -19.941 6.196 -27.042 566 2HZ LYS 72 HZ2 LYS 72 -20.894 7.144 -28.102 567 3HZ LYS 72 HZ1 LYS 72 -20.162 7.852 -26.731 568 H LYS 73 HN LYS 73 -17.970 4.008 -22.801 569 HA LYS 73 HA LYS 73 -16.219 5.254 -24.798 570 1HB LYS 73 HB2 LYS 73 -15.352 3.465 -22.495 571 2HB LYS 73 HB1 LYS 73 -14.362 3.756 -23.923 572 1HG LYS 73 HG2 LYS 73 -13.938 5.960 -23.349 573 2HG LYS 73 HG1 LYS 73 -15.395 6.100 -22.372 574 1HD LYS 73 HD2 LYS 73 -14.313 4.425 -20.775 575 2HD LYS 73 HD1 LYS 73 -12.819 4.698 -21.665 576 1HE LYS 73 HE2 LYS 73 -14.440 6.826 -20.247 577 2HE LYS 73 HE1 LYS 73 -12.946 6.110 -19.651 578 1HZ LYS 73 HZ1 LYS 73 -11.829 6.972 -21.657 579 2HZ LYS 73 HZ3 LYS 73 -13.277 7.756 -22.104 580 3HZ LYS 73 HZ2 LYS 73 -12.475 8.205 -20.666 581 H HIS 74 HN HIS 74 -16.996 2.290 -23.089 582 HA HIS 74 HA HIS 74 -18.368 0.986 -25.206 583 1HB HIS 74 HB2 HIS 74 -15.472 0.391 -24.822 584 2HB HIS 74 HB1 HIS 74 -16.528 -1.013 -24.913 585 HD1 HIS 74 HD1 HIS 74 -14.695 1.226 -27.007 586 HD2 HIS 74 HD2 HIS 74 -18.246 -0.863 -27.395 587 HE1 HIS 74 HE1 HIS 74 -15.164 1.193 -29.470 588 H VAL 75 HN VAL 75 -19.931 0.848 -23.622 589 HA VAL 75 HA VAL 75 -19.304 -0.473 -21.071 590 HB VAL 75 HB VAL 75 -21.864 0.900 -21.912 591 1HG1 VAL 75 HG13 VAL 75 -20.718 0.205 -19.217 592 2HG1 VAL 75 HG12 VAL 75 -22.051 1.341 -19.445 593 3HG1 VAL 75 HG11 VAL 75 -22.238 -0.349 -19.928 594 1HG2 VAL 75 HG21 VAL 75 -19.265 2.079 -21.269 595 2HG2 VAL 75 HG23 VAL 75 -20.690 2.800 -22.017 596 3HG2 VAL 75 HG22 VAL 75 -20.586 2.683 -20.264 597 H PHE 76 HN PHE 76 -20.841 -2.026 -20.213 598 HA PHE 76 HA PHE 76 -22.583 -3.410 -22.065 599 1HB PHE 76 HB2 PHE 76 -21.635 -5.616 -21.712 600 2HB PHE 76 HB1 PHE 76 -20.479 -4.562 -22.493 601 HD1 PHE 76 HD2 PHE 76 -21.285 -6.431 -19.448 602 HD2 PHE 76 HD1 PHE 76 -18.438 -3.892 -21.369 603 HE1 PHE 76 HE2 PHE 76 -19.591 -7.075 -17.781 604 HE2 PHE 76 HE1 PHE 76 -16.738 -4.542 -19.710 605 HZ PHE 76 HZ PHE 76 -17.306 -6.130 -17.912 606 H LYS 77 HN LYS 77 -24.293 -4.213 -21.080 607 HA LYS 77 HA LYS 77 -24.640 -3.649 -18.240 608 1HB LYS 77 HB2 LYS 77 -26.687 -4.839 -20.109 609 2HB LYS 77 HB1 LYS 77 -26.964 -3.948 -18.614 610 1HG LYS 77 HG2 LYS 77 -25.627 -2.057 -19.973 611 2HG LYS 77 HG1 LYS 77 -26.306 -2.938 -21.338 612 1HD LYS 77 HD2 LYS 77 -27.949 -1.933 -19.009 613 2HD LYS 77 HD1 LYS 77 -27.713 -1.025 -20.496 614 1HE LYS 77 HE2 LYS 77 -29.720 -2.083 -20.936 615 2HE LYS 77 HE1 LYS 77 -28.581 -3.222 -21.644 616 1HZ LYS 77 HZ2 LYS 77 -28.970 -3.806 -18.906 617 2HZ LYS 77 HZ1 LYS 77 -30.475 -3.729 -19.705 618 3HZ LYS 77 HZ3 LYS 77 -29.263 -4.786 -20.269 619 H LEU 78 HN LEU 78 -23.964 -5.095 -16.843 620 HA LEU 78 HA LEU 78 -24.252 -7.982 -17.391 621 1HB LEU 78 HB2 LEU 78 -21.981 -7.071 -16.854 622 2HB LEU 78 HB1 LEU 78 -22.596 -6.590 -15.286 623 HG LEU 78 HG LEU 78 -22.927 -8.799 -14.621 624 1HD1 LEU 78 HD13 LEU 78 -22.635 -9.484 -17.515 625 2HD1 LEU 78 HD12 LEU 78 -22.342 -10.699 -16.269 626 3HD1 LEU 78 HD11 LEU 78 -23.917 -9.927 -16.390 627 1HD2 LEU 78 HD23 LEU 78 -20.456 -7.870 -15.124 628 2HD2 LEU 78 HD22 LEU 78 -20.783 -9.408 -14.320 629 3HD2 LEU 78 HD21 LEU 78 -20.426 -9.368 -16.044 630 H ARG 79 HN ARG 79 -26.121 -8.723 -16.596 631 HA ARG 79 HA ARG 79 -27.014 -7.776 -13.923 632 1HB ARG 79 HB2 ARG 79 -28.542 -6.946 -15.595 633 2HB ARG 79 HB1 ARG 79 -28.678 -8.540 -16.333 634 1HG ARG 79 HG2 ARG 79 -29.741 -9.406 -14.304 635 2HG ARG 79 HG1 ARG 79 -29.555 -7.844 -13.519 636 1HD ARG 79 HD2 ARG 79 -30.969 -6.866 -15.378 637 2HD ARG 79 HD1 ARG 79 -31.280 -8.520 -15.906 638 HE ARG 79 HE ARG 79 -31.913 -8.369 -13.165 639 1HH1 ARG 79 HH11 ARG 79 -33.858 -9.429 -15.190 640 2HH1 ARG 79 HH12 ARG 79 -35.132 -8.232 -15.167 641 1HH2 ARG 79 HH21 ARG 79 -33.210 -5.797 -13.539 642 2HH2 ARG 79 HH22 ARG 79 -34.762 -6.187 -14.235 643 H LEU 80 HN LEU 80 -27.028 -9.280 -12.422 644 HA LEU 80 HA LEU 80 -26.828 -12.120 -13.134 645 1HB LEU 80 HB2 LEU 80 -27.005 -10.997 -10.339 646 2HB LEU 80 HB1 LEU 80 -26.293 -12.513 -10.864 647 HG LEU 80 HG LEU 80 -25.220 -9.733 -11.352 648 1HD1 LEU 80 HD11 LEU 80 -24.939 -11.387 -9.149 649 2HD1 LEU 80 HD13 LEU 80 -23.466 -11.673 -10.079 650 3HD1 LEU 80 HD12 LEU 80 -23.891 -10.034 -9.582 651 1HD2 LEU 80 HD21 LEU 80 -24.408 -12.387 -12.490 652 2HD2 LEU 80 HD23 LEU 80 -24.584 -10.830 -13.302 653 3HD2 LEU 80 HD22 LEU 80 -23.210 -11.121 -12.236 654 H SER 81 HN SER 81 -28.595 -13.457 -13.102 655 HA SER 81 HA SER 81 -31.181 -12.517 -13.060 656 1HB SER 81 HB2 SER 81 -30.116 -15.279 -12.621 657 2HB SER 81 HB1 SER 81 -31.756 -14.880 -13.045 658 HG SER 81 HG SER 81 -29.422 -14.592 -14.603 659 H ASP 82 HN ASP 82 -29.219 -13.719 -10.418 660 HA ASP 82 HA ASP 82 -31.368 -13.011 -8.513 661 1HB ASP 82 HB2 ASP 82 -31.205 -15.526 -8.895 662 2HB ASP 82 HB1 ASP 82 -29.591 -15.443 -8.198 663 H GLY 83 HN GLY 83 -29.668 -11.114 -8.956 664 1HA GLY 83 HA2 GLY 83 -27.989 -11.031 -6.592 665 2HA GLY 83 HA1 GLY 83 -27.100 -11.029 -8.111 666 H ASN 84 HN ASN 84 -26.712 -9.100 -9.043 667 HA ASN 84 HA ASN 84 -28.354 -6.740 -8.354 668 1HB ASN 84 HB2 ASN 84 -25.333 -6.823 -8.569 669 2HB ASN 84 HB1 ASN 84 -26.298 -5.420 -8.148 670 1HD2 ASN 84 HD22 ASN 84 -25.689 -6.090 -4.775 671 2HD2 ASN 84 HD21 ASN 84 -25.701 -4.958 -6.095 672 H GLU 85 HN GLU 85 -27.901 -4.943 -9.892 673 HA GLU 85 HA GLU 85 -27.390 -5.886 -12.665 674 1HB GLU 85 HB2 GLU 85 -29.223 -3.841 -11.456 675 2HB GLU 85 HB1 GLU 85 -28.654 -3.610 -13.106 676 1HG GLU 85 HG2 GLU 85 -29.575 -5.752 -13.775 677 2HG GLU 85 HG1 GLU 85 -30.062 -6.098 -12.116 678 H TYR 86 HN TYR 86 -25.382 -5.254 -13.323 679 HA TYR 86 HA TYR 86 -24.334 -2.636 -12.374 680 1HB TYR 86 HB2 TYR 86 -22.718 -5.110 -13.007 681 2HB TYR 86 HB1 TYR 86 -22.101 -3.581 -12.409 682 HD1 TYR 86 HD1 TYR 86 -23.592 -2.867 -10.109 683 HD2 TYR 86 HD2 TYR 86 -22.540 -6.773 -11.481 684 HE1 TYR 86 HE1 TYR 86 -23.629 -3.696 -7.799 685 HE2 TYR 86 HE2 TYR 86 -22.587 -7.599 -9.173 686 HH TYR 86 HH TYR 86 -23.889 -5.823 -6.589 687 H LEU 87 HN LEU 87 -23.347 -1.326 -13.814 688 HA LEU 87 HA LEU 87 -23.334 -2.104 -16.677 689 1HB LEU 87 HB2 LEU 87 -23.272 0.631 -15.373 690 2HB LEU 87 HB1 LEU 87 -23.087 0.355 -17.097 691 HG LEU 87 HG LEU 87 -25.509 0.010 -15.371 692 1HD1 LEU 87 HD13 LEU 87 -24.854 2.139 -16.675 693 2HD1 LEU 87 HD12 LEU 87 -25.352 1.235 -18.110 694 3HD1 LEU 87 HD11 LEU 87 -26.509 1.541 -16.812 695 1HD2 LEU 87 HD23 LEU 87 -24.952 -1.349 -17.989 696 2HD2 LEU 87 HD22 LEU 87 -25.595 -2.042 -16.497 697 3HD2 LEU 87 HD21 LEU 87 -26.592 -0.968 -17.476 698 H PHE 88 HN PHE 88 -21.351 -2.891 -17.168 699 HA PHE 88 HA PHE 88 -18.988 -1.774 -15.811 700 1HB PHE 88 HB2 PHE 88 -19.523 -4.352 -17.232 701 2HB PHE 88 HB1 PHE 88 -17.875 -3.798 -16.970 702 HD1 PHE 88 HD1 PHE 88 -17.184 -3.232 -14.576 703 HD2 PHE 88 HD2 PHE 88 -20.660 -5.491 -15.551 704 HE1 PHE 88 HE1 PHE 88 -17.227 -4.149 -12.291 705 HE2 PHE 88 HE2 PHE 88 -20.716 -6.407 -13.272 706 HZ PHE 88 HZ PHE 88 -19.004 -5.698 -11.622 707 H GLN 89 HN GLN 89 -17.589 -0.528 -16.850 708 HA GLN 89 HA GLN 89 -17.789 -0.298 -19.795 709 1HB GLN 89 HB2 GLN 89 -18.603 1.743 -19.283 710 2HB GLN 89 HB1 GLN 89 -17.945 1.723 -17.664 711 1HG GLN 89 HG2 GLN 89 -15.852 2.532 -18.363 712 2HG GLN 89 HG1 GLN 89 -16.177 2.158 -20.059 713 1HE2 GLN 89 HE22 GLN 89 -18.498 5.212 -18.623 714 2HE2 GLN 89 HE21 GLN 89 -18.395 3.704 -17.783 715 H ALA 90 HN ALA 90 -16.041 -0.756 -20.854 716 HA ALA 90 HA ALA 90 -13.447 -0.994 -19.472 717 1HB ALA 90 HB1 ALA 90 -14.404 -2.071 -22.138 718 2HB ALA 90 HB3 ALA 90 -12.784 -2.311 -21.481 719 3HB ALA 90 HB2 ALA 90 -14.187 -2.993 -20.654 720 H LYS 91 HN LYS 91 -11.541 -0.412 -20.825 721 HA LYS 91 HA LYS 91 -11.820 2.296 -21.803 722 1HB LYS 91 HB2 LYS 91 -9.165 1.521 -22.189 723 2HB LYS 91 HB1 LYS 91 -9.818 2.428 -20.838 724 1HG LYS 91 HG2 LYS 91 -9.837 -0.581 -20.800 725 2HG LYS 91 HG1 LYS 91 -8.406 0.325 -20.343 726 1HD LYS 91 HD2 LYS 91 -9.382 1.215 -18.453 727 2HD LYS 91 HD1 LYS 91 -11.009 1.100 -19.110 728 1HE LYS 91 HE2 LYS 91 -10.545 -0.484 -17.230 729 2HE LYS 91 HE1 LYS 91 -11.089 -1.264 -18.710 730 1HZ LYS 91 HZ1 LYS 91 -8.205 -0.970 -18.352 731 2HZ LYS 91 HZ3 LYS 91 -8.996 -2.097 -17.352 732 3HZ LYS 91 HZ2 LYS 91 -9.102 -2.252 -19.042 733 H ASP 92 HN ASP 92 -10.627 -0.802 -23.099 734 HA ASP 92 HA ASP 92 -10.806 0.308 -25.856 735 1HB ASP 92 HB2 ASP 92 -8.585 -0.582 -24.980 736 2HB ASP 92 HB1 ASP 92 -9.315 -2.184 -24.990 737 H ASP 93 HN ASP 93 -11.704 -0.940 -27.512 738 HA ASP 93 HA ASP 93 -14.115 -2.333 -26.918 739 1HB ASP 93 HB2 ASP 93 -13.790 -1.087 -29.006 740 2HB ASP 93 HB1 ASP 93 -12.506 -2.190 -29.490 741 H GLU 94 HN GLU 94 -10.847 -3.405 -27.759 742 HA GLU 94 HA GLU 94 -11.366 -6.164 -28.135 743 1HB GLU 94 HB2 GLU 94 -9.231 -4.724 -28.616 744 2HB GLU 94 HB1 GLU 94 -8.791 -5.143 -26.964 745 1HG GLU 94 HG2 GLU 94 -7.866 -6.992 -27.891 746 2HG GLU 94 HG1 GLU 94 -9.521 -7.591 -27.961 747 H GLU 95 HN GLU 95 -10.552 -4.257 -25.264 748 HA GLU 95 HA GLU 95 -10.387 -6.446 -23.442 749 1HB GLU 95 HB2 GLU 95 -9.527 -3.991 -23.200 750 2HB GLU 95 HB1 GLU 95 -11.148 -3.663 -22.585 751 1HG GLU 95 HG2 GLU 95 -10.763 -5.613 -20.979 752 2HG GLU 95 HG1 GLU 95 -9.075 -5.569 -21.474 753 H MET 96 HN MET 96 -12.980 -4.168 -24.316 754 HA MET 96 HA MET 96 -14.988 -4.973 -22.533 755 1HB MET 96 HB2 MET 96 -15.252 -2.991 -23.891 756 2HB MET 96 HB1 MET 96 -15.195 -3.936 -25.371 757 1HG MET 96 HG2 MET 96 -17.294 -4.688 -23.413 758 2HG MET 96 HG1 MET 96 -17.490 -3.132 -24.203 759 1HE MET 96 HE2 MET 96 -16.860 -2.901 -26.680 760 2HE MET 96 HE1 MET 96 -17.276 -4.065 -27.933 761 3HE MET 96 HE3 MET 96 -18.549 -3.162 -27.103 762 H ASN 97 HN ASN 97 -14.299 -6.176 -25.822 763 HA ASN 97 HA ASN 97 -16.345 -8.109 -25.960 764 1HB ASN 97 HB2 ASN 97 -14.873 -7.259 -27.859 765 2HB ASN 97 HB1 ASN 97 -13.631 -8.368 -27.279 766 1HD2 ASN 97 HD22 ASN 97 -15.133 -11.239 -28.613 767 2HD2 ASN 97 HD21 ASN 97 -13.853 -10.550 -27.660 768 H THR 98 HN THR 98 -12.962 -8.418 -24.883 769 HA THR 98 HA THR 98 -12.993 -11.183 -24.325 770 HB THR 98 HB THR 98 -11.303 -9.140 -22.878 771 HG1 THR 98 HG1 THR 98 -10.984 -8.608 -24.978 772 1HG2 THR 98 HG23 THR 98 -11.162 -11.519 -22.145 773 2HG2 THR 98 HG22 THR 98 -10.681 -11.959 -23.787 774 3HG2 THR 98 HG21 THR 98 -9.651 -10.905 -22.816 775 H TRP 99 HN TRP 99 -13.802 -8.382 -22.285 776 HA TRP 99 HA TRP 99 -14.114 -9.747 -19.825 777 1HB TRP 99 HB2 TRP 99 -15.124 -7.153 -20.945 778 2HB TRP 99 HB1 TRP 99 -15.814 -7.749 -19.442 779 HD1 TRP 99 HD1 TRP 99 -13.196 -5.488 -20.533 780 HE1 TRP 99 HE1 TRP 99 -11.442 -5.151 -18.712 781 HE3 TRP 99 HE3 TRP 99 -14.336 -9.441 -17.471 782 HZ2 TRP 99 HZ2 TRP 99 -10.611 -6.368 -16.326 783 HZ3 TRP 99 HZ3 TRP 99 -13.006 -9.792 -15.429 784 HH2 TRP 99 HH2 TRP 99 -11.160 -8.270 -14.861 785 H ILE 100 HN ILE 100 -16.542 -8.814 -22.268 786 HA ILE 100 HA ILE 100 -18.780 -10.018 -21.053 787 HB ILE 100 HB ILE 100 -18.191 -9.419 -23.958 788 1HG1 ILE 100 HG12 ILE 100 -19.837 -7.913 -21.912 789 2HG1 ILE 100 HG11 ILE 100 -18.207 -7.478 -22.406 790 1HG2 ILE 100 HG22 ILE 100 -20.695 -10.388 -22.611 791 2HG2 ILE 100 HG21 ILE 100 -20.773 -9.396 -24.066 792 3HG2 ILE 100 HG23 ILE 100 -19.950 -10.954 -24.106 793 1HD1 ILE 100 HD13 ILE 100 -19.351 -7.578 -24.833 794 2HD1 ILE 100 HD12 ILE 100 -20.777 -7.187 -23.868 795 3HD1 ILE 100 HD11 ILE 100 -19.371 -6.121 -23.836 796 H GLN 101 HN GLN 101 -16.421 -11.298 -23.386 797 HA GLN 101 HA GLN 101 -17.640 -13.813 -23.852 798 1HB GLN 101 HB2 GLN 101 -14.775 -12.873 -24.036 799 2HB GLN 101 HB1 GLN 101 -15.263 -14.505 -24.477 800 1HG GLN 101 HG2 GLN 101 -16.957 -12.456 -25.710 801 2HG GLN 101 HG1 GLN 101 -15.259 -12.276 -26.143 802 1HE2 GLN 101 HE22 GLN 101 -17.448 -15.228 -27.768 803 2HE2 GLN 101 HE21 GLN 101 -18.112 -13.978 -26.756 804 H ALA 102 HN ALA 102 -15.137 -12.816 -21.524 805 HA ALA 102 HA ALA 102 -14.687 -15.345 -20.352 806 1HB ALA 102 HB2 ALA 102 -13.225 -13.327 -20.101 807 2HB ALA 102 HB1 ALA 102 -14.424 -12.653 -18.994 808 3HB ALA 102 HB3 ALA 102 -13.581 -14.147 -18.582 809 H ILE 103 HN ILE 103 -16.893 -12.717 -19.424 810 HA ILE 103 HA ILE 103 -17.950 -13.975 -17.106 811 HB ILE 103 HB ILE 103 -19.038 -11.833 -18.931 812 1HG1 ILE 103 HG12 ILE 103 -18.081 -11.408 -16.124 813 2HG1 ILE 103 HG11 ILE 103 -16.893 -11.591 -17.410 814 1HG2 ILE 103 HG22 ILE 103 -20.256 -13.115 -16.536 815 2HG2 ILE 103 HG21 ILE 103 -20.376 -11.365 -16.673 816 3HG2 ILE 103 HG23 ILE 103 -21.024 -12.388 -17.951 817 1HD1 ILE 103 HD12 ILE 103 -18.882 -9.751 -18.318 818 2HD1 ILE 103 HD11 ILE 103 -18.368 -9.262 -16.703 819 3HD1 ILE 103 HD13 ILE 103 -17.175 -9.453 -17.984 820 H SER 104 HN SER 104 -18.700 -14.297 -20.514 821 HA SER 104 HA SER 104 -21.221 -15.655 -20.069 822 1HB SER 104 HB2 SER 104 -19.605 -15.264 -22.595 823 2HB SER 104 HB1 SER 104 -21.258 -15.861 -22.503 824 HG SER 104 HG SER 104 -20.275 -13.267 -21.910 825 H SER 105 HN SER 105 -17.879 -16.645 -20.904 826 HA SER 105 HA SER 105 -18.767 -19.474 -20.644 827 1HB SER 105 HB2 SER 105 -16.579 -18.580 -22.508 828 2HB SER 105 HB1 SER 105 -17.433 -20.122 -22.473 829 HG SER 105 HG SER 105 -19.364 -18.923 -23.041 830 H ALA 106 HN ALA 106 -17.401 -17.701 -18.587 831 HA ALA 106 HA ALA 106 -15.400 -19.672 -17.823 832 1HB ALA 106 HB1 ALA 106 -14.305 -17.795 -19.295 833 2HB ALA 106 HB3 ALA 106 -14.447 -16.823 -17.829 834 3HB ALA 106 HB2 ALA 106 -13.513 -18.318 -17.810 No H/Q in entry = 834 Start of MODEL 44 1 1H MET 1 HT3 MET 1 -6.935 -13.214 -15.149 2 2H MET 1 HT2 MET 1 -7.813 -14.667 -15.116 3 3H MET 1 HT1 MET 1 -6.920 -14.243 -16.509 4 HA MET 1 HA MET 1 -8.423 -12.741 -17.226 5 1HB MET 1 HB2 MET 1 -10.074 -14.649 -15.546 6 2HB MET 1 HB1 MET 1 -10.725 -13.603 -16.804 7 1HG MET 1 HG2 MET 1 -10.459 -15.580 -17.950 8 2HG MET 1 HG1 MET 1 -8.948 -14.761 -18.324 9 1HE MET 1 HE2 MET 1 -9.131 -17.487 -19.006 10 2HE MET 1 HE1 MET 1 -8.261 -18.653 -18.015 11 3HE MET 1 HE3 MET 1 -9.982 -18.354 -17.729 12 H GLU 2 HN GLU 2 -7.533 -10.958 -15.873 13 HA GLU 2 HA GLU 2 -9.640 -9.796 -14.239 14 1HB GLU 2 HB2 GLU 2 -8.216 -9.380 -12.374 15 2HB GLU 2 HB1 GLU 2 -8.233 -11.103 -12.727 16 1HG GLU 2 HG2 GLU 2 -6.150 -9.705 -14.176 17 2HG GLU 2 HG1 GLU 2 -6.001 -9.502 -12.441 18 H GLY 3 HN GLY 3 -8.871 -7.564 -13.441 19 1HA GLY 3 HA2 GLY 3 -7.004 -5.913 -14.360 20 2HA GLY 3 HA1 GLY 3 -8.016 -6.028 -15.770 21 H PHE 4 HN PHE 4 -8.263 -3.654 -15.334 22 HA PHE 4 HA PHE 4 -10.007 -2.974 -13.077 23 1HB PHE 4 HB2 PHE 4 -8.416 -1.390 -15.062 24 2HB PHE 4 HB1 PHE 4 -9.739 -0.619 -14.200 25 HD1 PHE 4 HD1 PHE 4 -9.713 -0.599 -11.670 26 HD2 PHE 4 HD2 PHE 4 -6.336 -1.753 -14.019 27 HE1 PHE 4 HE1 PHE 4 -8.233 -0.220 -9.735 28 HE2 PHE 4 HE2 PHE 4 -4.864 -1.366 -12.090 29 HZ PHE 4 HZ PHE 4 -5.852 -0.639 -9.906 30 H LEU 5 HN LEU 5 -11.999 -2.022 -13.281 31 HA LEU 5 HA LEU 5 -13.338 -1.779 -15.855 32 1HB LEU 5 HB2 LEU 5 -13.886 -4.004 -13.939 33 2HB LEU 5 HB1 LEU 5 -15.283 -3.184 -14.614 34 HG LEU 5 HG LEU 5 -13.099 -4.540 -16.182 35 1HD1 LEU 5 HD13 LEU 5 -15.853 -5.331 -15.354 36 2HD1 LEU 5 HD12 LEU 5 -15.225 -5.898 -16.901 37 3HD1 LEU 5 HD11 LEU 5 -14.368 -6.291 -15.408 38 1HD2 LEU 5 HD23 LEU 5 -15.376 -2.805 -17.017 39 2HD2 LEU 5 HD22 LEU 5 -13.734 -2.890 -17.657 40 3HD2 LEU 5 HD21 LEU 5 -14.900 -4.151 -18.053 41 H ASN 6 HN ASN 6 -15.017 -0.320 -15.726 42 HA ASN 6 HA ASN 6 -15.340 1.115 -13.185 43 1HB ASN 6 HB2 ASN 6 -15.488 1.847 -15.963 44 2HB ASN 6 HB1 ASN 6 -17.037 2.167 -15.211 45 1HD2 ASN 6 HD22 ASN 6 -13.903 4.555 -14.445 46 2HD2 ASN 6 HD21 ASN 6 -13.858 3.248 -15.590 47 H ARG 7 HN ARG 7 -16.977 0.636 -11.835 48 HA ARG 7 HA ARG 7 -19.120 -1.155 -12.836 49 1HB ARG 7 HB2 ARG 7 -17.631 -2.047 -11.065 50 2HB ARG 7 HB1 ARG 7 -18.135 -0.745 -9.992 51 1HG ARG 7 HG2 ARG 7 -20.425 -1.560 -9.989 52 2HG ARG 7 HG1 ARG 7 -20.036 -2.760 -11.218 53 1HD ARG 7 HD2 ARG 7 -19.776 -4.165 -9.461 54 2HD ARG 7 HD1 ARG 7 -18.203 -3.388 -9.290 55 HE ARG 7 HE ARG 7 -20.023 -1.826 -7.851 56 1HH1 ARG 7 HH11 ARG 7 -17.522 -3.430 -6.772 57 2HH1 ARG 7 HH12 ARG 7 -18.273 -4.335 -5.496 58 1HH2 ARG 7 HH21 ARG 7 -21.555 -3.723 -6.577 59 2HH2 ARG 7 HH22 ARG 7 -20.553 -4.510 -5.402 60 H LYS 8 HN LYS 8 -20.918 -0.067 -13.299 61 HA LYS 8 HA LYS 8 -21.811 2.180 -11.592 62 1HB LYS 8 HB2 LYS 8 -21.728 2.299 -14.177 63 2HB LYS 8 HB1 LYS 8 -23.124 1.246 -14.130 64 1HG LYS 8 HG2 LYS 8 -23.859 3.175 -12.337 65 2HG LYS 8 HG1 LYS 8 -22.905 4.115 -13.480 66 1HD LYS 8 HD2 LYS 8 -24.768 4.229 -14.763 67 2HD LYS 8 HD1 LYS 8 -24.474 2.536 -15.135 68 1HE LYS 8 HE2 LYS 8 -26.771 2.799 -14.385 69 2HE LYS 8 HE1 LYS 8 -25.866 1.868 -13.198 70 1HZ LYS 8 HZ3 LYS 8 -26.127 4.790 -12.896 71 2HZ LYS 8 HZ2 LYS 8 -27.404 3.763 -12.423 72 3HZ LYS 8 HZ1 LYS 8 -25.863 3.609 -11.702 73 H HIS 9 HN HIS 9 -22.585 1.014 -9.836 74 HA HIS 9 HA HIS 9 -24.464 -1.180 -10.261 75 1HB HIS 9 HB2 HIS 9 -24.394 -1.409 -7.800 76 2HB HIS 9 HB1 HIS 9 -22.815 -1.510 -8.549 77 HD1 HIS 9 HD1 HIS 9 -22.904 -0.921 -5.624 78 HD2 HIS 9 HD2 HIS 9 -22.966 2.106 -8.453 79 HE1 HIS 9 HE1 HIS 9 -22.027 1.106 -4.438 80 H GLU 10 HN GLU 10 -26.500 -0.717 -10.654 81 HA GLU 10 HA GLU 10 -27.739 1.765 -9.670 82 1HB GLU 10 HB2 GLU 10 -27.989 1.083 -12.064 83 2HB GLU 10 HB1 GLU 10 -28.838 -0.364 -11.531 84 1HG GLU 10 HG2 GLU 10 -30.489 1.259 -12.188 85 2HG GLU 10 HG1 GLU 10 -30.545 1.117 -10.434 86 H TRP 11 HN TRP 11 -28.139 -1.748 -9.557 87 HA TRP 11 HA TRP 11 -29.556 -1.533 -7.002 88 1HB TRP 11 HB2 TRP 11 -31.357 -1.521 -8.637 89 2HB TRP 11 HB1 TRP 11 -30.672 -2.916 -9.458 90 HD1 TRP 11 HD1 TRP 11 -32.240 -2.061 -5.977 91 HE1 TRP 11 HE1 TRP 11 -33.445 -4.165 -5.166 92 HE3 TRP 11 HE3 TRP 11 -30.983 -5.317 -9.728 93 HZ2 TRP 11 HZ2 TRP 11 -33.827 -6.832 -5.961 94 HZ3 TRP 11 HZ3 TRP 11 -31.814 -7.632 -9.644 95 HH2 TRP 11 HH2 TRP 11 -33.220 -8.384 -7.777 96 H GLU 12 HN GLU 12 -28.617 -2.888 -5.659 97 HA GLU 12 HA GLU 12 -27.919 -5.591 -6.418 98 1HB GLU 12 HB2 GLU 12 -25.565 -5.331 -5.473 99 2HB GLU 12 HB1 GLU 12 -25.842 -4.649 -7.070 100 1HG GLU 12 HG2 GLU 12 -25.934 -2.421 -6.200 101 2HG GLU 12 HG1 GLU 12 -25.983 -3.003 -4.536 102 H ALA 13 HN ALA 13 -29.895 -4.933 -4.844 103 HA ALA 13 HA ALA 13 -29.143 -5.967 -2.239 104 1HB ALA 13 HB2 ALA 13 -30.435 -3.238 -2.539 105 2HB ALA 13 HB1 ALA 13 -30.298 -4.129 -1.019 106 3HB ALA 13 HB3 ALA 13 -28.844 -3.578 -1.853 107 H HIS 14 HN HIS 14 -32.048 -4.289 -2.109 108 HA HIS 14 HA HIS 14 -33.644 -6.502 -3.247 109 1HB HIS 14 HB2 HIS 14 -33.779 -5.455 -0.415 110 2HB HIS 14 HB1 HIS 14 -35.129 -6.292 -1.169 111 HD1 HIS 14 HD1 HIS 14 -34.552 -8.797 -2.011 112 HD2 HIS 14 HD2 HIS 14 -31.900 -7.136 0.702 113 HE1 HIS 14 HE1 HIS 14 -33.230 -10.735 -1.125 114 H ASN 15 HN ASN 15 -34.404 -3.648 -1.263 115 HA ASN 15 HA ASN 15 -36.122 -2.642 -3.462 116 1HB ASN 15 HB2 ASN 15 -37.387 -1.442 -1.669 117 2HB ASN 15 HB1 ASN 15 -37.476 -3.195 -1.554 118 1HD2 ASN 15 HD22 ASN 15 -36.354 -1.185 1.649 119 2HD2 ASN 15 HD21 ASN 15 -37.240 -0.545 0.301 120 H LYS 16 HN LYS 16 -33.346 -1.949 -1.572 121 HA LYS 16 HA LYS 16 -33.451 0.943 -2.019 122 1HB LYS 16 HB2 LYS 16 -31.296 -0.782 -0.781 123 2HB LYS 16 HB1 LYS 16 -31.314 0.976 -0.811 124 1HG LYS 16 HG2 LYS 16 -33.764 -0.226 0.314 125 2HG LYS 16 HG1 LYS 16 -32.300 -0.588 1.221 126 1HD LYS 16 HD2 LYS 16 -31.848 1.993 0.975 127 2HD LYS 16 HD1 LYS 16 -33.588 2.062 0.700 128 1HE LYS 16 HE2 LYS 16 -32.122 1.073 3.146 129 2HE LYS 16 HE1 LYS 16 -33.271 2.402 3.039 130 1HZ LYS 16 HZ3 LYS 16 -34.994 0.742 2.452 131 2HZ LYS 16 HZ2 LYS 16 -33.861 -0.493 2.779 132 3HZ LYS 16 HZ1 LYS 16 -34.366 0.557 4.022 133 H LYS 17 HN LYS 17 -32.245 2.056 -3.451 134 HA LYS 17 HA LYS 17 -30.851 0.566 -5.580 135 1HB LYS 17 HB2 LYS 17 -31.795 3.441 -5.368 136 2HB LYS 17 HB1 LYS 17 -30.881 2.801 -6.731 137 1HG LYS 17 HG2 LYS 17 -32.930 0.973 -6.470 138 2HG LYS 17 HG1 LYS 17 -33.719 2.495 -6.077 139 1HD LYS 17 HD2 LYS 17 -32.016 2.117 -8.544 140 2HD LYS 17 HD1 LYS 17 -33.748 1.816 -8.526 141 1HE LYS 17 HE2 LYS 17 -33.855 3.994 -9.175 142 2HE LYS 17 HE1 LYS 17 -33.725 4.289 -7.446 143 1HZ LYS 17 HZ1 LYS 17 -31.328 4.106 -9.172 144 2HZ LYS 17 HZ3 LYS 17 -32.181 5.569 -8.963 145 3HZ LYS 17 HZ2 LYS 17 -31.474 4.798 -7.624 146 H ALA 18 HN ALA 18 -28.732 1.161 -6.227 147 HA ALA 18 HA ALA 18 -27.014 2.038 -4.037 148 1HB ALA 18 HB3 ALA 18 -26.627 0.667 -6.652 149 2HB ALA 18 HB2 ALA 18 -25.273 1.615 -6.036 150 3HB ALA 18 HB1 ALA 18 -25.943 0.301 -5.072 151 H SER 19 HN SER 19 -25.792 3.922 -4.020 152 HA SER 19 HA SER 19 -25.878 5.759 -6.297 153 1HB SER 19 HB2 SER 19 -26.984 6.615 -3.608 154 2HB SER 19 HB1 SER 19 -26.902 7.580 -5.080 155 HG SER 19 HG SER 19 -28.191 5.297 -5.629 156 H SER 20 HN SER 20 -23.713 4.388 -5.152 157 HA SER 20 HA SER 20 -22.214 6.436 -3.647 158 1HB SER 20 HB2 SER 20 -21.554 3.560 -4.161 159 2HB SER 20 HB1 SER 20 -20.611 4.661 -3.174 160 HG SER 20 HG SER 20 -23.156 4.734 -2.336 161 H ARG 21 HN ARG 21 -21.779 7.847 -5.339 162 HA ARG 21 HA ARG 21 -20.478 8.777 -6.962 163 1HB ARG 21 HB2 ARG 21 -19.042 6.111 -7.122 164 2HB ARG 21 HB1 ARG 21 -18.534 7.610 -7.882 165 1HG ARG 21 HG2 ARG 21 -17.487 8.242 -6.021 166 2HG ARG 21 HG1 ARG 21 -18.990 8.135 -5.110 167 1HD ARG 21 HD2 ARG 21 -18.560 5.655 -4.871 168 2HD ARG 21 HD1 ARG 21 -16.968 5.927 -5.583 169 HE ARG 21 HE ARG 21 -17.595 7.614 -3.286 170 1HH1 ARG 21 HH21 ARG 21 -14.788 6.594 -4.183 171 2HH1 ARG 21 HH22 ARG 21 -14.408 5.495 -2.879 172 1HH2 ARG 21 HH11 ARG 21 -17.724 5.248 -1.756 173 2HH2 ARG 21 HH12 ARG 21 -16.074 4.760 -1.481 174 H SER 22 HN SER 22 -21.858 5.611 -7.598 175 HA SER 22 HA SER 22 -22.889 4.655 -9.377 176 1HB SER 22 HB2 SER 22 -23.515 7.524 -10.077 177 2HB SER 22 HB1 SER 22 -24.311 6.083 -10.684 178 HG SER 22 HG SER 22 -24.707 7.402 -8.331 179 H TRP 23 HN TRP 23 -20.441 4.517 -9.785 180 HA TRP 23 HA TRP 23 -19.649 3.767 -12.125 181 1HB TRP 23 HB2 TRP 23 -19.806 6.766 -12.367 182 2HB TRP 23 HB1 TRP 23 -18.421 5.963 -13.085 183 HD1 TRP 23 HD1 TRP 23 -21.645 7.144 -14.209 184 HE1 TRP 23 HE1 TRP 23 -22.527 5.785 -16.192 185 HE3 TRP 23 HE3 TRP 23 -18.532 3.085 -13.973 186 HZ2 TRP 23 HZ2 TRP 23 -22.014 3.348 -17.492 187 HZ3 TRP 23 HZ3 TRP 23 -18.779 1.286 -15.623 188 HH2 TRP 23 HH2 TRP 23 -20.499 1.413 -17.373 189 H HIS 24 HN HIS 24 -18.606 2.856 -10.205 190 HA HIS 24 HA HIS 24 -16.294 4.330 -9.146 191 1HB HIS 24 HB2 HIS 24 -18.091 3.097 -7.760 192 2HB HIS 24 HB1 HIS 24 -17.328 1.616 -8.321 193 HD1 HIS 24 HD1 HIS 24 -15.335 4.633 -7.281 194 HD2 HIS 24 HD2 HIS 24 -16.342 0.877 -5.908 195 HE1 HIS 24 HE1 HIS 24 -13.943 4.318 -5.226 196 H ASN 25 HN ASN 25 -14.269 3.862 -9.833 197 HA ASN 25 HA ASN 25 -13.801 1.761 -11.801 198 1HB ASN 25 HB2 ASN 25 -12.768 4.083 -11.882 199 2HB ASN 25 HB1 ASN 25 -11.757 3.601 -10.521 200 1HD2 ASN 25 HD22 ASN 25 -9.395 2.238 -12.692 201 2HD2 ASN 25 HD21 ASN 25 -9.773 3.147 -11.254 202 H VAL 26 HN VAL 26 -13.637 -0.256 -11.042 203 HA VAL 26 HA VAL 26 -11.990 -0.757 -8.630 204 HB VAL 26 HB VAL 26 -14.523 -0.915 -8.350 205 1HG1 VAL 26 HG12 VAL 26 -14.848 -2.120 -10.559 206 2HG1 VAL 26 HG11 VAL 26 -14.243 -3.564 -9.747 207 3HG1 VAL 26 HG13 VAL 26 -15.707 -2.776 -9.166 208 1HG2 VAL 26 HG23 VAL 26 -12.645 -2.047 -6.961 209 2HG2 VAL 26 HG22 VAL 26 -14.325 -2.530 -6.729 210 3HG2 VAL 26 HG21 VAL 26 -13.246 -3.534 -7.698 211 H TYR 27 HN TYR 27 -11.129 -2.965 -8.511 212 HA TYR 27 HA TYR 27 -10.241 -3.907 -11.161 213 1HB TYR 27 HB2 TYR 27 -8.609 -3.229 -9.332 214 2HB TYR 27 HB1 TYR 27 -9.112 -4.668 -8.466 215 HD1 TYR 27 HD1 TYR 27 -7.700 -3.505 -11.690 216 HD2 TYR 27 HD2 TYR 27 -8.102 -6.741 -8.942 217 HE1 TYR 27 HE1 TYR 27 -6.069 -4.807 -12.991 218 HE2 TYR 27 HE2 TYR 27 -6.459 -8.042 -10.237 219 HH TYR 27 HH TYR 27 -4.843 -7.904 -11.839 220 H CYS 28 HN CYS 28 -11.471 -5.486 -11.955 221 HA CYS 28 HA CYS 28 -12.844 -7.386 -10.187 222 1HB CYS 28 HB2 CYS 28 -13.025 -7.091 -13.192 223 2HB CYS 28 HB1 CYS 28 -14.111 -8.003 -12.146 224 HG CYS 28 HG CYS 28 -13.955 -4.965 -11.623 225 H VAL 29 HN VAL 29 -12.326 -9.486 -10.019 226 HA VAL 29 HA VAL 29 -10.252 -10.636 -11.802 227 HB VAL 29 HB VAL 29 -10.500 -11.060 -8.814 228 1HG1 VAL 29 HG12 VAL 29 -8.874 -12.341 -10.939 229 2HG1 VAL 29 HG11 VAL 29 -8.052 -11.976 -9.419 230 3HG1 VAL 29 HG13 VAL 29 -9.488 -13.002 -9.422 231 1HG2 VAL 29 HG23 VAL 29 -8.491 -9.436 -10.373 232 2HG2 VAL 29 HG22 VAL 29 -9.645 -8.841 -9.180 233 3HG2 VAL 29 HG21 VAL 29 -8.315 -9.884 -8.677 234 H ILE 30 HN ILE 30 -11.252 -12.205 -12.930 235 HA ILE 30 HA ILE 30 -13.627 -13.541 -11.911 236 HB ILE 30 HB ILE 30 -12.135 -14.153 -14.467 237 1HG1 ILE 30 HG12 ILE 30 -14.350 -12.129 -14.078 238 2HG1 ILE 30 HG11 ILE 30 -12.657 -11.725 -14.338 239 1HG2 ILE 30 HG21 ILE 30 -15.003 -14.552 -13.604 240 2HG2 ILE 30 HG23 ILE 30 -14.396 -14.837 -15.236 241 3HG2 ILE 30 HG22 ILE 30 -13.802 -15.810 -13.892 242 1HD1 ILE 30 HD11 ILE 30 -13.855 -13.561 -16.331 243 2HD1 ILE 30 HD13 ILE 30 -14.468 -11.907 -16.340 244 3HD1 ILE 30 HD12 ILE 30 -12.744 -12.213 -16.559 245 H ASN 31 HN ASN 31 -13.726 -15.492 -11.034 246 HA ASN 31 HA ASN 31 -11.398 -17.311 -11.156 247 1HB ASN 31 HB2 ASN 31 -11.309 -16.101 -9.020 248 2HB ASN 31 HB1 ASN 31 -12.975 -16.548 -8.680 249 1HD2 ASN 31 HD22 ASN 31 -11.894 -19.366 -6.969 250 2HD2 ASN 31 HD21 ASN 31 -12.867 -17.925 -7.027 251 H ASN 32 HN ASN 32 -12.697 -18.313 -12.809 252 HA ASN 32 HA ASN 32 -14.018 -19.973 -13.606 253 1HB ASN 32 HB2 ASN 32 -13.064 -21.168 -11.586 254 2HB ASN 32 HB1 ASN 32 -14.558 -20.790 -10.741 255 1HD2 ASN 32 HD22 ASN 32 -14.575 -23.514 -13.818 256 2HD2 ASN 32 HD21 ASN 32 -13.314 -22.322 -13.684 257 H GLN 33 HN GLN 33 -16.162 -20.138 -10.883 258 HA GLN 33 HA GLN 33 -18.299 -18.964 -12.529 259 1HB GLN 33 HB2 GLN 33 -18.124 -21.248 -10.840 260 2HB GLN 33 HB1 GLN 33 -19.301 -20.158 -10.121 261 1HG GLN 33 HG2 GLN 33 -20.816 -20.880 -11.601 262 2HG GLN 33 HG1 GLN 33 -19.867 -20.151 -12.890 263 1HE2 GLN 33 HE22 GLN 33 -18.744 -23.187 -14.185 264 2HE2 GLN 33 HE21 GLN 33 -18.796 -21.460 -14.303 265 H GLU 34 HN GLU 34 -16.254 -17.739 -10.273 266 HA GLU 34 HA GLU 34 -18.261 -15.782 -9.379 267 1HB GLU 34 HB2 GLU 34 -17.311 -15.764 -7.114 268 2HB GLU 34 HB1 GLU 34 -17.984 -17.334 -7.521 269 1HG GLU 34 HG2 GLU 34 -16.038 -18.324 -7.059 270 2HG GLU 34 HG1 GLU 34 -15.239 -17.361 -8.292 271 H MET 35 HN MET 35 -17.139 -13.853 -8.353 272 HA MET 35 HA MET 35 -14.455 -13.299 -9.333 273 1HB MET 35 HB2 MET 35 -15.134 -11.280 -10.574 274 2HB MET 35 HB1 MET 35 -15.797 -12.740 -11.297 275 1HG MET 35 HG2 MET 35 -17.944 -12.293 -10.096 276 2HG MET 35 HG1 MET 35 -17.265 -10.769 -9.539 277 1HE MET 35 HE1 MET 35 -19.142 -9.570 -10.281 278 2HE MET 35 HE3 MET 35 -19.373 -8.949 -11.924 279 3HE MET 35 HE2 MET 35 -20.106 -10.478 -11.444 280 H GLY 36 HN GLY 36 -13.514 -11.518 -8.323 281 1HA GLY 36 HA2 GLY 36 -14.996 -10.411 -5.998 282 2HA GLY 36 HA1 GLY 36 -13.298 -10.874 -5.942 283 H PHE 37 HN PHE 37 -14.869 -8.263 -5.641 284 HA PHE 37 HA PHE 37 -13.568 -6.583 -7.684 285 1HB PHE 37 HB2 PHE 37 -15.624 -5.922 -5.563 286 2HB PHE 37 HB1 PHE 37 -14.973 -4.778 -6.723 287 HD1 PHE 37 HD1 PHE 37 -15.169 -5.583 -9.270 288 HD2 PHE 37 HD2 PHE 37 -17.644 -6.924 -6.056 289 HE1 PHE 37 HE1 PHE 37 -16.907 -6.244 -10.879 290 HE2 PHE 37 HE2 PHE 37 -19.384 -7.577 -7.676 291 HZ PHE 37 HZ PHE 37 -19.011 -7.209 -10.100 292 H TYR 38 HN TYR 38 -11.489 -6.189 -7.140 293 HA TYR 38 HA TYR 38 -10.828 -5.440 -4.343 294 1HB TYR 38 HB2 TYR 38 -8.993 -6.438 -6.535 295 2HB TYR 38 HB1 TYR 38 -8.528 -6.071 -4.878 296 HD1 TYR 38 HD1 TYR 38 -9.122 -7.544 -3.045 297 HD2 TYR 38 HD2 TYR 38 -10.258 -8.447 -7.057 298 HE1 TYR 38 HE1 TYR 38 -9.651 -9.854 -2.377 299 HE2 TYR 38 HE2 TYR 38 -10.786 -10.756 -6.393 300 HH TYR 38 HH TYR 38 -9.852 -12.332 -4.293 301 H LYS 39 HN LYS 39 -8.662 -4.007 -4.437 302 HA LYS 39 HA LYS 39 -9.472 -1.521 -5.691 303 1HB LYS 39 HB2 LYS 39 -8.365 -1.809 -3.381 304 2HB LYS 39 HB1 LYS 39 -6.860 -1.997 -4.269 305 1HG LYS 39 HG2 LYS 39 -6.867 0.191 -5.042 306 2HG LYS 39 HG1 LYS 39 -8.606 0.368 -4.838 307 1HD LYS 39 HD2 LYS 39 -8.046 1.533 -2.983 308 2HD LYS 39 HD1 LYS 39 -7.843 -0.053 -2.254 309 1HE LYS 39 HE2 LYS 39 -5.620 1.530 -3.565 310 2HE LYS 39 HE1 LYS 39 -5.933 1.485 -1.834 311 1HZ LYS 39 HZ3 LYS 39 -5.797 -1.110 -2.355 312 2HZ LYS 39 HZ2 LYS 39 -4.736 -0.526 -3.557 313 3HZ LYS 39 HZ1 LYS 39 -4.446 -0.170 -1.911 314 H ASP 40 HN ASP 40 -6.857 -3.883 -6.098 315 HA ASP 40 HA ASP 40 -6.531 -3.316 -8.872 316 1HB ASP 40 HB2 ASP 40 -4.314 -2.406 -8.905 317 2HB ASP 40 HB1 ASP 40 -5.312 -1.358 -7.910 318 H ALA 41 HN ALA 41 -4.160 -4.371 -9.483 319 HA ALA 41 HA ALA 41 -4.469 -7.150 -9.100 320 1HB ALA 41 HB3 ALA 41 -3.263 -6.078 -11.004 321 2HB ALA 41 HB2 ALA 41 -1.934 -5.705 -9.906 322 3HB ALA 41 HB1 ALA 41 -2.358 -7.385 -10.243 323 H LYS 42 HN LYS 42 -2.489 -4.790 -7.369 324 HA LYS 42 HA LYS 42 -0.956 -6.653 -5.842 325 1HB LYS 42 HB2 LYS 42 -1.643 -3.838 -4.989 326 2HB LYS 42 HB1 LYS 42 -0.203 -4.775 -4.605 327 1HG LYS 42 HG2 LYS 42 -0.958 -3.670 -7.322 328 2HG LYS 42 HG1 LYS 42 0.325 -3.083 -6.272 329 1HD LYS 42 HD2 LYS 42 1.016 -5.713 -6.501 330 2HD LYS 42 HD1 LYS 42 0.280 -5.422 -8.076 331 1HE LYS 42 HE2 LYS 42 2.591 -3.912 -6.839 332 2HE LYS 42 HE1 LYS 42 2.649 -4.982 -8.235 333 1HZ LYS 42 HZ2 LYS 42 0.839 -2.675 -8.344 334 2HZ LYS 42 HZ1 LYS 42 2.514 -2.394 -8.508 335 3HZ LYS 42 HZ3 LYS 42 1.725 -3.434 -9.596 336 H SER 43 HN SER 43 -3.946 -4.842 -5.224 337 HA SER 43 HA SER 43 -4.381 -5.783 -2.568 338 1HB SER 43 HB2 SER 43 -6.377 -4.736 -4.573 339 2HB SER 43 HB1 SER 43 -6.622 -4.858 -2.833 340 HG SER 43 HG SER 43 -4.747 -3.216 -4.229 341 H ALA 44 HN ALA 44 -5.238 -7.026 -5.741 342 HA ALA 44 HA ALA 44 -7.115 -9.005 -4.860 343 1HB ALA 44 HB3 ALA 44 -5.538 -8.667 -7.414 344 2HB ALA 44 HB2 ALA 44 -6.700 -9.971 -7.159 345 3HB ALA 44 HB1 ALA 44 -7.240 -8.292 -7.135 346 H ALA 45 HN ALA 45 -3.668 -9.105 -5.738 347 HA ALA 45 HA ALA 45 -3.317 -11.898 -5.274 348 1HB ALA 45 HB2 ALA 45 -1.361 -9.602 -5.456 349 2HB ALA 45 HB1 ALA 45 -0.866 -11.286 -5.282 350 3HB ALA 45 HB3 ALA 45 -1.771 -10.774 -6.710 351 H SER 46 HN SER 46 -2.778 -9.024 -3.273 352 HA SER 46 HA SER 46 -1.634 -10.450 -1.059 353 1HB SER 46 HB2 SER 46 -1.383 -7.953 -1.677 354 2HB SER 46 HB1 SER 46 -2.920 -7.732 -0.847 355 HG SER 46 HG SER 46 -0.505 -8.819 0.238 356 H GLY 47 HN GLY 47 -4.895 -9.302 -1.845 357 1HA GLY 47 HA2 GLY 47 -6.874 -10.420 -1.140 358 2HA GLY 47 HA1 GLY 47 -6.009 -11.044 0.261 359 H ILE 48 HN ILE 48 -6.705 -7.866 -1.179 360 HA ILE 48 HA ILE 48 -7.597 -6.874 1.472 361 HB ILE 48 HB ILE 48 -6.214 -5.275 -0.699 362 1HG1 ILE 48 HG12 ILE 48 -5.088 -6.018 2.003 363 2HG1 ILE 48 HG11 ILE 48 -4.758 -6.960 0.555 364 1HG2 ILE 48 HG21 ILE 48 -7.364 -4.590 1.988 365 2HG2 ILE 48 HG23 ILE 48 -6.018 -3.655 1.334 366 3HG2 ILE 48 HG22 ILE 48 -7.542 -3.746 0.452 367 1HD1 ILE 48 HD11 ILE 48 -3.989 -4.726 -0.486 368 2HD1 ILE 48 HD13 ILE 48 -3.941 -4.134 1.176 369 3HD1 ILE 48 HD12 ILE 48 -2.930 -5.499 0.696 370 HA PRO 49 HA PRO 49 -11.295 -6.568 -1.130 371 1HB PRO 49 HB2 PRO 49 -13.039 -6.076 0.902 372 2HB PRO 49 HB1 PRO 49 -12.468 -7.689 0.454 373 1HG PRO 49 HG2 PRO 49 -11.589 -5.913 2.685 374 2HG PRO 49 HG1 PRO 49 -11.804 -7.672 2.663 375 1HD PRO 49 HD2 PRO 49 -9.374 -6.436 2.476 376 2HD PRO 49 HD1 PRO 49 -9.713 -8.038 1.792 377 H TYR 50 HN TYR 50 -12.640 -4.930 -1.837 378 HA TYR 50 HA TYR 50 -12.109 -2.181 -0.861 379 1HB TYR 50 HB2 TYR 50 -11.102 -2.974 -3.149 380 2HB TYR 50 HB1 TYR 50 -12.751 -2.855 -3.733 381 HD1 TYR 50 HD1 TYR 50 -10.668 -0.675 -1.497 382 HD2 TYR 50 HD2 TYR 50 -12.962 -1.016 -5.079 383 HE1 TYR 50 HE1 TYR 50 -10.296 1.712 -1.965 384 HE2 TYR 50 HE2 TYR 50 -12.587 1.366 -5.545 385 HH TYR 50 HH TYR 50 -10.343 3.146 -4.448 386 H HIS 51 HN HIS 51 -13.917 -1.727 0.240 387 HA HIS 51 HA HIS 51 -16.093 -1.094 0.596 388 1HB HIS 51 HB2 HIS 51 -16.090 -1.304 -2.234 389 2HB HIS 51 HB1 HIS 51 -17.477 -2.232 -1.692 390 HD1 HIS 51 HD1 HIS 51 -19.513 -0.902 -1.197 391 HD2 HIS 51 HD2 HIS 51 -16.114 1.468 -1.157 392 HE1 HIS 51 HE1 HIS 51 -20.361 1.443 -0.953 393 H SER 52 HN SER 52 -18.399 -2.372 0.643 394 HA SER 52 HA SER 52 -17.784 -4.850 2.045 395 1HB SER 52 HB2 SER 52 -20.391 -3.382 1.610 396 2HB SER 52 HB1 SER 52 -20.198 -4.815 2.618 397 HG SER 52 HG SER 52 -18.618 -3.601 3.846 398 H GLU 53 HN GLU 53 -19.616 -3.896 -0.840 399 HA GLU 53 HA GLU 53 -20.392 -6.625 -1.473 400 1HB GLU 53 HB2 GLU 53 -21.112 -5.422 -3.680 401 2HB GLU 53 HB1 GLU 53 -22.013 -5.127 -2.204 402 1HG GLU 53 HG2 GLU 53 -19.721 -3.316 -2.925 403 2HG GLU 53 HG1 GLU 53 -21.280 -3.109 -3.716 404 H VAL 54 HN VAL 54 -18.128 -7.379 -1.390 405 HA VAL 54 HA VAL 54 -16.514 -6.749 -3.773 406 HB VAL 54 HB VAL 54 -15.838 -7.959 -1.103 407 1HG1 VAL 54 HG12 VAL 54 -14.245 -8.056 -3.643 408 2HG1 VAL 54 HG11 VAL 54 -13.438 -7.956 -2.078 409 3HG1 VAL 54 HG13 VAL 54 -14.499 -9.317 -2.434 410 1HG2 VAL 54 HG22 VAL 54 -15.974 -5.404 -1.692 411 2HG2 VAL 54 HG21 VAL 54 -14.681 -6.039 -0.673 412 3HG2 VAL 54 HG23 VAL 54 -14.381 -5.706 -2.379 413 HA PRO 55 HA PRO 55 -16.811 -11.491 -4.142 414 1HB PRO 55 HB2 PRO 55 -18.327 -12.964 -2.447 415 2HB PRO 55 HB1 PRO 55 -16.645 -12.530 -2.122 416 1HG PRO 55 HG2 PRO 55 -19.130 -11.451 -0.945 417 2HG PRO 55 HG1 PRO 55 -17.508 -11.572 -0.247 418 1HD PRO 55 HD2 PRO 55 -18.708 -9.262 -1.337 419 2HD PRO 55 HD1 PRO 55 -17.012 -9.466 -0.874 420 H VAL 56 HN VAL 56 -17.989 -11.908 -5.925 421 HA VAL 56 HA VAL 56 -20.931 -11.968 -5.767 422 HB VAL 56 HB VAL 56 -19.263 -10.349 -7.679 423 1HG1 VAL 56 HG11 VAL 56 -22.032 -11.420 -8.057 424 2HG1 VAL 56 HG13 VAL 56 -21.581 -9.856 -8.740 425 3HG1 VAL 56 HG12 VAL 56 -20.709 -11.319 -9.217 426 1HG2 VAL 56 HG21 VAL 56 -21.381 -9.777 -5.641 427 2HG2 VAL 56 HG23 VAL 56 -19.824 -8.984 -5.894 428 3HG2 VAL 56 HG22 VAL 56 -21.159 -8.683 -7.006 429 H SER 57 HN SER 57 -21.836 -13.532 -6.968 430 HA SER 57 HA SER 57 -20.074 -15.469 -8.283 431 1HB SER 57 HB2 SER 57 -22.932 -16.014 -7.767 432 2HB SER 57 HB1 SER 57 -21.536 -17.051 -7.599 433 HG SER 57 HG SER 57 -22.772 -15.527 -5.720 434 H LEU 58 HN LEU 58 -20.323 -16.064 -10.413 435 HA LEU 58 HA LEU 58 -22.054 -14.401 -12.113 436 1HB LEU 58 HB2 LEU 58 -19.840 -16.371 -12.751 437 2HB LEU 58 HB1 LEU 58 -20.811 -15.570 -13.983 438 HG LEU 58 HG LEU 58 -19.184 -14.127 -11.894 439 1HD1 LEU 58 HD22 LEU 58 -17.804 -15.430 -13.541 440 2HD1 LEU 58 HD21 LEU 58 -18.515 -14.441 -14.824 441 3HD1 LEU 58 HD23 LEU 58 -17.534 -13.687 -13.562 442 1HD2 LEU 58 HD13 LEU 58 -20.897 -13.240 -14.180 443 2HD2 LEU 58 HD12 LEU 58 -20.792 -12.594 -12.541 444 3HD2 LEU 58 HD11 LEU 58 -19.505 -12.267 -13.704 445 H LYS 59 HN LYS 59 -23.700 -15.760 -10.708 446 HA LYS 59 HA LYS 59 -24.360 -18.403 -11.623 447 1HB LYS 59 HB2 LYS 59 -24.915 -17.546 -9.366 448 2HB LYS 59 HB1 LYS 59 -26.025 -16.389 -10.087 449 1HG LYS 59 HG2 LYS 59 -27.296 -18.253 -9.276 450 2HG LYS 59 HG1 LYS 59 -27.327 -18.294 -11.034 451 1HD LYS 59 HD2 LYS 59 -25.885 -20.137 -11.138 452 2HD LYS 59 HD1 LYS 59 -25.262 -19.871 -9.511 453 1HE LYS 59 HE2 LYS 59 -26.819 -21.841 -9.717 454 2HE LYS 59 HE1 LYS 59 -27.302 -20.647 -8.515 455 1HZ LYS 59 HZ3 LYS 59 -28.366 -20.585 -11.280 456 2HZ LYS 59 HZ2 LYS 59 -29.078 -21.550 -10.071 457 3HZ LYS 59 HZ1 LYS 59 -29.005 -19.854 -9.876 458 H GLU 60 HN GLU 60 -24.470 -18.167 -13.896 459 HA GLU 60 HA GLU 60 -25.447 -17.849 -15.940 460 1HB GLU 60 HB2 GLU 60 -27.990 -17.469 -14.334 461 2HB GLU 60 HB1 GLU 60 -27.888 -17.828 -16.053 462 1HG GLU 60 HG2 GLU 60 -27.488 -20.037 -15.713 463 2HG GLU 60 HG1 GLU 60 -26.458 -19.742 -14.315 464 H ALA 61 HN ALA 61 -24.063 -15.808 -15.530 465 HA ALA 61 HA ALA 61 -25.414 -13.320 -15.107 466 1HB ALA 61 HB3 ALA 61 -22.948 -13.892 -14.687 467 2HB ALA 61 HB2 ALA 61 -22.720 -13.619 -16.417 468 3HB ALA 61 HB1 ALA 61 -23.317 -12.318 -15.387 469 H ILE 62 HN ILE 62 -26.800 -12.480 -16.532 470 HA ILE 62 HA ILE 62 -26.585 -13.000 -19.395 471 HB ILE 62 HB ILE 62 -28.487 -11.172 -17.905 472 1HG1 ILE 62 HG12 ILE 62 -28.981 -13.991 -18.891 473 2HG1 ILE 62 HG11 ILE 62 -28.633 -13.579 -17.215 474 1HG2 ILE 62 HG22 ILE 62 -28.174 -11.999 -20.748 475 2HG2 ILE 62 HG21 ILE 62 -29.818 -11.846 -20.115 476 3HG2 ILE 62 HG23 ILE 62 -28.719 -10.468 -20.065 477 1HD1 ILE 62 HD13 ILE 62 -30.625 -12.119 -17.177 478 2HD1 ILE 62 HD12 ILE 62 -30.995 -12.608 -18.831 479 3HD1 ILE 62 HD11 ILE 62 -31.030 -13.799 -17.529 480 H CYS 63 HN CYS 63 -25.695 -11.603 -20.852 481 HA CYS 63 HA CYS 63 -24.796 -8.958 -19.855 482 1HB CYS 63 HB2 CYS 63 -23.077 -10.933 -20.104 483 2HB CYS 63 HB1 CYS 63 -23.148 -10.509 -21.810 484 HG CYS 63 HG CYS 63 -22.600 -8.091 -20.054 485 H GLU 64 HN GLU 64 -24.960 -7.257 -21.191 486 HA GLU 64 HA GLU 64 -25.859 -7.636 -23.986 487 1HB GLU 64 HB2 GLU 64 -27.053 -5.648 -22.031 488 2HB GLU 64 HB1 GLU 64 -27.505 -5.854 -23.720 489 1HG GLU 64 HG2 GLU 64 -28.470 -8.003 -23.297 490 2HG GLU 64 HG1 GLU 64 -27.785 -8.067 -21.674 491 H VAL 65 HN VAL 65 -25.209 -5.920 -25.375 492 HA VAL 65 HA VAL 65 -22.841 -4.473 -24.441 493 HB VAL 65 HB VAL 65 -24.032 -4.441 -27.219 494 1HG1 VAL 65 HG12 VAL 65 -21.363 -3.732 -26.027 495 2HG1 VAL 65 HG11 VAL 65 -21.506 -4.162 -27.735 496 3HG1 VAL 65 HG13 VAL 65 -22.390 -2.776 -27.098 497 1HG2 VAL 65 HG23 VAL 65 -22.165 -6.464 -25.979 498 2HG2 VAL 65 HG22 VAL 65 -23.737 -6.761 -26.729 499 3HG2 VAL 65 HG21 VAL 65 -22.362 -6.257 -27.717 500 H ALA 66 HN ALA 66 -22.627 -2.272 -24.348 501 HA ALA 66 HA ALA 66 -24.981 -0.577 -24.919 502 1HB ALA 66 HB2 ALA 66 -23.314 -0.548 -22.386 503 2HB ALA 66 HB1 ALA 66 -24.498 0.681 -22.823 504 3HB ALA 66 HB3 ALA 66 -25.020 -0.974 -22.521 505 H LEU 67 HN LEU 67 -23.778 -0.183 -26.853 506 HA LEU 67 HA LEU 67 -21.208 1.184 -26.707 507 1HB LEU 67 HB2 LEU 67 -22.300 -0.408 -28.588 508 2HB LEU 67 HB1 LEU 67 -22.802 1.151 -29.230 509 HG LEU 67 HG LEU 67 -20.201 1.667 -28.640 510 1HD1 LEU 67 HD12 LEU 67 -20.393 -1.262 -29.321 511 2HD1 LEU 67 HD11 LEU 67 -18.938 -0.314 -29.615 512 3HD1 LEU 67 HD13 LEU 67 -19.549 -0.504 -27.970 513 1HD2 LEU 67 HD22 LEU 67 -21.319 0.499 -31.195 514 2HD2 LEU 67 HD21 LEU 67 -21.260 2.203 -30.745 515 3HD2 LEU 67 HD23 LEU 67 -19.764 1.323 -31.061 516 H ASP 68 HN ASP 68 -24.596 1.972 -27.272 517 HA ASP 68 HA ASP 68 -23.963 4.824 -27.611 518 1HB ASP 68 HB2 ASP 68 -26.273 5.083 -28.341 519 2HB ASP 68 HB1 ASP 68 -25.464 3.819 -29.261 520 H TYR 69 HN TYR 69 -23.508 3.800 -25.025 521 HA TYR 69 HA TYR 69 -25.767 4.547 -23.333 522 1HB TYR 69 HB2 TYR 69 -24.482 2.734 -22.502 523 2HB TYR 69 HB1 TYR 69 -22.962 3.569 -22.776 524 HD1 TYR 69 HD1 TYR 69 -26.116 3.886 -20.750 525 HD2 TYR 69 HD2 TYR 69 -21.903 4.572 -20.986 526 HE1 TYR 69 HE1 TYR 69 -26.106 4.701 -18.410 527 HE2 TYR 69 HE2 TYR 69 -21.912 5.399 -18.670 528 HH TYR 69 HH TYR 69 -24.874 5.951 -16.907 529 H LYS 70 HN LYS 70 -25.597 6.675 -24.658 530 HA LYS 70 HA LYS 70 -25.229 8.924 -24.742 531 1HB LYS 70 HB2 LYS 70 -24.586 8.619 -21.797 532 2HB LYS 70 HB1 LYS 70 -25.085 10.094 -22.622 533 1HG LYS 70 HG2 LYS 70 -27.186 8.761 -23.313 534 2HG LYS 70 HG1 LYS 70 -26.711 7.622 -22.053 535 1HD LYS 70 HD2 LYS 70 -26.683 9.555 -20.440 536 2HD LYS 70 HD1 LYS 70 -27.371 10.553 -21.717 537 1HE LYS 70 HE2 LYS 70 -28.636 8.021 -20.637 538 2HE LYS 70 HE1 LYS 70 -29.075 9.650 -20.139 539 1HZ LYS 70 HZ1 LYS 70 -29.504 10.058 -22.601 540 2HZ LYS 70 HZ3 LYS 70 -29.489 8.357 -22.762 541 3HZ LYS 70 HZ2 LYS 70 -30.630 9.109 -21.742 542 H LYS 71 HN LYS 71 -23.257 7.940 -25.962 543 HA LYS 71 HA LYS 71 -21.171 8.327 -26.755 544 1HB LYS 71 HB2 LYS 71 -20.744 10.307 -24.517 545 2HB LYS 71 HB1 LYS 71 -19.928 10.225 -26.072 546 1HG LYS 71 HG2 LYS 71 -22.683 10.438 -26.660 547 2HG LYS 71 HG1 LYS 71 -22.369 11.598 -25.375 548 1HD LYS 71 HD2 LYS 71 -20.870 11.402 -27.999 549 2HD LYS 71 HD1 LYS 71 -22.081 12.615 -27.598 550 1HE LYS 71 HE2 LYS 71 -19.410 12.243 -26.227 551 2HE LYS 71 HE1 LYS 71 -19.839 13.538 -27.336 552 1HZ LYS 71 HZ3 LYS 71 -21.781 13.638 -25.416 553 2HZ LYS 71 HZ2 LYS 71 -20.361 13.284 -24.531 554 3HZ LYS 71 HZ1 LYS 71 -20.428 14.662 -25.533 555 H LYS 72 HN LYS 72 -19.063 9.175 -24.589 556 HA LYS 72 HA LYS 72 -17.505 8.139 -23.243 557 1HB LYS 72 HB2 LYS 72 -19.841 7.275 -22.198 558 2HB LYS 72 HB1 LYS 72 -19.177 5.732 -22.719 559 1HG LYS 72 HG2 LYS 72 -18.630 6.337 -20.357 560 2HG LYS 72 HG1 LYS 72 -17.216 6.039 -21.357 561 1HD LYS 72 HD2 LYS 72 -16.560 8.253 -21.346 562 2HD LYS 72 HD1 LYS 72 -18.204 8.848 -21.131 563 1HE LYS 72 HE2 LYS 72 -16.743 7.345 -18.961 564 2HE LYS 72 HE1 LYS 72 -16.604 9.089 -19.146 565 1HZ LYS 72 HZ1 LYS 72 -19.183 8.986 -19.123 566 2HZ LYS 72 HZ3 LYS 72 -18.939 7.484 -18.357 567 3HZ LYS 72 HZ2 LYS 72 -18.312 8.908 -17.654 568 H LYS 73 HN LYS 73 -16.729 5.576 -22.920 569 HA LYS 73 HA LYS 73 -15.562 4.958 -25.501 570 1HB LYS 73 HB2 LYS 73 -15.245 3.705 -22.766 571 2HB LYS 73 HB1 LYS 73 -14.341 3.206 -24.198 572 1HG LYS 73 HG2 LYS 73 -13.520 5.569 -24.399 573 2HG LYS 73 HG1 LYS 73 -14.274 5.908 -22.842 574 1HD LYS 73 HD2 LYS 73 -12.534 5.022 -21.737 575 2HD LYS 73 HD1 LYS 73 -12.660 3.520 -22.648 576 1HE LYS 73 HE2 LYS 73 -10.448 4.602 -22.898 577 2HE LYS 73 HE1 LYS 73 -11.289 4.431 -24.434 578 1HZ LYS 73 HZ3 LYS 73 -11.812 6.915 -23.064 579 2HZ LYS 73 HZ2 LYS 73 -10.182 6.700 -23.523 580 3HZ LYS 73 HZ1 LYS 73 -11.415 6.625 -24.698 581 H HIS 74 HN HIS 74 -16.008 2.171 -23.653 582 HA HIS 74 HA HIS 74 -18.307 1.224 -25.262 583 1HB HIS 74 HB2 HIS 74 -15.570 0.026 -24.926 584 2HB HIS 74 HB1 HIS 74 -16.948 -1.052 -25.062 585 HD1 HIS 74 HD1 HIS 74 -17.037 2.069 -27.058 586 HD2 HIS 74 HD2 HIS 74 -15.978 -1.893 -27.611 587 HE1 HIS 74 HE1 HIS 74 -16.816 1.798 -29.534 588 H VAL 75 HN VAL 75 -19.901 0.730 -23.882 589 HA VAL 75 HA VAL 75 -19.211 -0.297 -21.181 590 HB VAL 75 HB VAL 75 -21.676 1.236 -22.049 591 1HG1 VAL 75 HG11 VAL 75 -20.696 0.302 -19.366 592 2HG1 VAL 75 HG13 VAL 75 -21.877 1.598 -19.546 593 3HG1 VAL 75 HG12 VAL 75 -22.247 -0.024 -20.138 594 1HG2 VAL 75 HG21 VAL 75 -19.013 2.160 -21.207 595 2HG2 VAL 75 HG23 VAL 75 -20.287 3.011 -22.082 596 3HG2 VAL 75 HG22 VAL 75 -20.354 2.885 -20.326 597 H PHE 76 HN PHE 76 -20.749 -1.854 -20.284 598 HA PHE 76 HA PHE 76 -22.592 -3.157 -22.121 599 1HB PHE 76 HB2 PHE 76 -21.646 -5.361 -21.934 600 2HB PHE 76 HB1 PHE 76 -20.451 -4.275 -22.612 601 HD1 PHE 76 HD2 PHE 76 -21.368 -6.294 -19.684 602 HD2 PHE 76 HD1 PHE 76 -18.417 -3.731 -21.407 603 HE1 PHE 76 HE2 PHE 76 -19.737 -7.040 -17.991 604 HE2 PHE 76 HE1 PHE 76 -16.783 -4.485 -19.727 605 HZ PHE 76 HZ PHE 76 -17.436 -6.135 -18.017 606 H LYS 77 HN LYS 77 -24.220 -4.201 -21.089 607 HA LYS 77 HA LYS 77 -24.446 -3.695 -18.217 608 1HB LYS 77 HB2 LYS 77 -26.329 -3.137 -19.746 609 2HB LYS 77 HB1 LYS 77 -26.481 -4.847 -20.133 610 1HG LYS 77 HG2 LYS 77 -27.281 -5.403 -18.020 611 2HG LYS 77 HG1 LYS 77 -26.566 -3.981 -17.265 612 1HD LYS 77 HD2 LYS 77 -28.237 -2.538 -18.180 613 2HD LYS 77 HD1 LYS 77 -28.846 -3.810 -19.237 614 1HE LYS 77 HE2 LYS 77 -29.920 -4.931 -17.512 615 2HE LYS 77 HE1 LYS 77 -28.837 -4.281 -16.286 616 1HZ LYS 77 HZ3 LYS 77 -29.958 -2.046 -16.923 617 2HZ LYS 77 HZ2 LYS 77 -31.205 -3.059 -17.508 618 3HZ LYS 77 HZ1 LYS 77 -30.734 -3.129 -15.870 619 H LEU 78 HN LEU 78 -24.664 -5.253 -16.700 620 HA LEU 78 HA LEU 78 -24.407 -8.080 -17.477 621 1HB LEU 78 HB2 LEU 78 -22.164 -7.112 -16.957 622 2HB LEU 78 HB1 LEU 78 -22.743 -6.703 -15.356 623 HG LEU 78 HG LEU 78 -22.881 -8.916 -14.717 624 1HD1 LEU 78 HD12 LEU 78 -22.948 -9.537 -17.633 625 2HD1 LEU 78 HD11 LEU 78 -22.380 -10.759 -16.506 626 3HD1 LEU 78 HD13 LEU 78 -24.007 -10.107 -16.344 627 1HD2 LEU 78 HD21 LEU 78 -20.568 -8.067 -14.978 628 2HD2 LEU 78 HD23 LEU 78 -20.690 -9.827 -15.062 629 3HD2 LEU 78 HD22 LEU 78 -20.495 -8.880 -16.539 630 H ARG 79 HN ARG 79 -26.135 -9.046 -16.647 631 HA ARG 79 HA ARG 79 -27.249 -8.116 -14.053 632 1HB ARG 79 HB2 ARG 79 -28.680 -7.871 -16.122 633 2HB ARG 79 HB1 ARG 79 -28.709 -9.628 -16.232 634 1HG ARG 79 HG2 ARG 79 -29.690 -9.715 -13.941 635 2HG ARG 79 HG1 ARG 79 -29.732 -7.958 -13.923 636 1HD ARG 79 HD2 ARG 79 -31.207 -9.754 -15.861 637 2HD ARG 79 HD1 ARG 79 -31.925 -8.842 -14.530 638 HE ARG 79 HE ARG 79 -31.084 -6.777 -15.735 639 1HH1 ARG 79 HH11 ARG 79 -29.715 -8.008 -18.065 640 2HH1 ARG 79 HH12 ARG 79 -30.933 -8.020 -19.304 641 1HH2 ARG 79 HH21 ARG 79 -33.589 -7.536 -17.043 642 2HH2 ARG 79 HH22 ARG 79 -33.144 -7.750 -18.725 643 H LEU 80 HN LEU 80 -27.033 -9.462 -12.417 644 HA LEU 80 HA LEU 80 -26.315 -12.287 -12.891 645 1HB LEU 80 HB2 LEU 80 -26.178 -10.694 -10.327 646 2HB LEU 80 HB1 LEU 80 -25.465 -12.276 -10.634 647 HG LEU 80 HG LEU 80 -24.698 -9.654 -11.940 648 1HD1 LEU 80 HD11 LEU 80 -23.897 -9.944 -9.636 649 2HD1 LEU 80 HD13 LEU 80 -23.141 -11.472 -10.101 650 3HD1 LEU 80 HD12 LEU 80 -22.575 -9.953 -10.807 651 1HD2 LEU 80 HD21 LEU 80 -23.809 -12.476 -12.493 652 2HD2 LEU 80 HD23 LEU 80 -24.389 -11.259 -13.633 653 3HD2 LEU 80 HD22 LEU 80 -22.802 -11.079 -12.886 654 H SER 81 HN SER 81 -27.628 -13.898 -12.332 655 HA SER 81 HA SER 81 -30.376 -13.524 -11.901 656 1HB SER 81 HB2 SER 81 -28.842 -16.057 -11.309 657 2HB SER 81 HB1 SER 81 -30.534 -15.898 -11.773 658 HG SER 81 HG SER 81 -28.261 -15.881 -13.345 659 H ASP 82 HN ASP 82 -27.897 -13.346 -9.551 660 HA ASP 82 HA ASP 82 -29.508 -14.332 -7.344 661 1HB ASP 82 HB2 ASP 82 -27.662 -13.914 -5.936 662 2HB ASP 82 HB1 ASP 82 -26.977 -14.499 -7.446 663 H GLY 83 HN GLY 83 -29.639 -11.581 -9.145 664 1HA GLY 83 HA2 GLY 83 -31.272 -9.904 -8.786 665 2HA GLY 83 HA1 GLY 83 -31.113 -10.130 -7.049 666 H ASN 84 HN ASN 84 -28.744 -9.466 -9.670 667 HA ASN 84 HA ASN 84 -28.051 -6.896 -8.380 668 1HB ASN 84 HB2 ASN 84 -26.282 -9.268 -8.702 669 2HB ASN 84 HB1 ASN 84 -25.576 -7.719 -9.153 670 1HD2 ASN 84 HD22 ASN 84 -24.661 -7.404 -5.788 671 2HD2 ASN 84 HD21 ASN 84 -24.154 -7.610 -7.431 672 H GLU 85 HN GLU 85 -27.728 -5.285 -9.798 673 HA GLU 85 HA GLU 85 -27.523 -5.906 -12.705 674 1HB GLU 85 HB2 GLU 85 -29.136 -3.867 -11.185 675 2HB GLU 85 HB1 GLU 85 -28.643 -3.535 -12.841 676 1HG GLU 85 HG2 GLU 85 -29.717 -6.187 -12.746 677 2HG GLU 85 HG1 GLU 85 -30.840 -5.117 -11.915 678 H TYR 86 HN TYR 86 -25.835 -4.942 -13.778 679 HA TYR 86 HA TYR 86 -24.457 -2.605 -12.603 680 1HB TYR 86 HB2 TYR 86 -23.038 -5.139 -13.473 681 2HB TYR 86 HB1 TYR 86 -22.258 -3.641 -13.002 682 HD1 TYR 86 HD1 TYR 86 -22.716 -2.796 -10.601 683 HD2 TYR 86 HD2 TYR 86 -23.392 -6.803 -11.910 684 HE1 TYR 86 HE1 TYR 86 -22.710 -3.559 -8.262 685 HE2 TYR 86 HE2 TYR 86 -23.371 -7.563 -9.572 686 HH TYR 86 HH TYR 86 -22.689 -6.936 -7.422 687 H LEU 87 HN LEU 87 -23.267 -1.401 -14.081 688 HA LEU 87 HA LEU 87 -23.385 -2.155 -16.950 689 1HB LEU 87 HB2 LEU 87 -23.258 0.708 -15.957 690 2HB LEU 87 HB1 LEU 87 -23.443 0.160 -17.607 691 HG LEU 87 HG LEU 87 -25.469 0.067 -15.392 692 1HD1 LEU 87 HD13 LEU 87 -24.895 2.039 -17.200 693 2HD1 LEU 87 HD12 LEU 87 -26.160 1.139 -18.044 694 3HD1 LEU 87 HD11 LEU 87 -26.471 1.799 -16.436 695 1HD2 LEU 87 HD23 LEU 87 -25.281 -1.571 -17.856 696 2HD2 LEU 87 HD22 LEU 87 -26.104 -1.901 -16.329 697 3HD2 LEU 87 HD21 LEU 87 -26.848 -0.838 -17.520 698 H PHE 88 HN PHE 88 -21.370 -2.826 -17.388 699 HA PHE 88 HA PHE 88 -19.110 -1.694 -15.882 700 1HB PHE 88 HB2 PHE 88 -19.567 -4.244 -17.380 701 2HB PHE 88 HB1 PHE 88 -17.931 -3.714 -17.010 702 HD1 PHE 88 HD1 PHE 88 -17.394 -3.181 -14.555 703 HD2 PHE 88 HD2 PHE 88 -20.822 -5.420 -15.782 704 HE1 PHE 88 HE1 PHE 88 -17.592 -4.118 -12.292 705 HE2 PHE 88 HE2 PHE 88 -21.017 -6.355 -13.512 706 HZ PHE 88 HZ PHE 88 -19.411 -5.706 -11.768 707 H GLN 89 HN GLN 89 -17.556 -0.518 -16.811 708 HA GLN 89 HA GLN 89 -17.606 -0.113 -19.750 709 1HB GLN 89 HB2 GLN 89 -18.135 1.994 -19.012 710 2HB GLN 89 HB1 GLN 89 -17.340 1.775 -17.464 711 1HG GLN 89 HG2 GLN 89 -15.127 1.999 -18.614 712 2HG GLN 89 HG1 GLN 89 -15.988 2.339 -20.116 713 1HE2 GLN 89 HE22 GLN 89 -15.196 5.310 -17.613 714 2HE2 GLN 89 HE21 GLN 89 -14.405 3.762 -17.659 715 H ALA 90 HN ALA 90 -15.783 -0.493 -20.847 716 HA ALA 90 HA ALA 90 -13.379 -1.385 -19.368 717 1HB ALA 90 HB2 ALA 90 -14.389 -3.009 -20.915 718 2HB ALA 90 HB1 ALA 90 -14.214 -1.859 -22.243 719 3HB ALA 90 HB3 ALA 90 -12.780 -2.528 -21.460 720 H LYS 91 HN LYS 91 -11.283 -0.870 -20.413 721 HA LYS 91 HA LYS 91 -11.132 1.972 -21.044 722 1HB LYS 91 HB2 LYS 91 -8.789 1.774 -20.704 723 2HB LYS 91 HB1 LYS 91 -9.552 0.799 -19.457 724 1HG LYS 91 HG2 LYS 91 -9.205 -1.178 -21.112 725 2HG LYS 91 HG1 LYS 91 -8.055 -0.103 -21.901 726 1HD LYS 91 HD2 LYS 91 -7.103 0.201 -19.477 727 2HD LYS 91 HD1 LYS 91 -7.939 -1.316 -19.164 728 1HE LYS 91 HE2 LYS 91 -5.991 -0.958 -21.453 729 2HE LYS 91 HE1 LYS 91 -5.489 -1.506 -19.857 730 1HZ LYS 91 HZ2 LYS 91 -7.522 -3.165 -20.346 731 2HZ LYS 91 HZ1 LYS 91 -6.940 -2.913 -21.931 732 3HZ LYS 91 HZ3 LYS 91 -5.892 -3.514 -20.737 733 H ASP 92 HN ASP 92 -10.692 -1.099 -22.669 734 HA ASP 92 HA ASP 92 -10.302 0.289 -25.265 735 1HB ASP 92 HB2 ASP 92 -8.253 -0.928 -24.375 736 2HB ASP 92 HB1 ASP 92 -9.164 -2.425 -24.540 737 H ASP 93 HN ASP 93 -11.220 -0.809 -27.106 738 HA ASP 93 HA ASP 93 -13.794 -1.940 -26.618 739 1HB ASP 93 HB2 ASP 93 -13.955 -2.179 -29.063 740 2HB ASP 93 HB1 ASP 93 -13.391 -0.579 -28.602 741 H GLU 94 HN GLU 94 -10.649 -3.329 -27.456 742 HA GLU 94 HA GLU 94 -11.590 -5.992 -27.973 743 1HB GLU 94 HB2 GLU 94 -8.854 -4.993 -27.144 744 2HB GLU 94 HB1 GLU 94 -9.208 -6.635 -27.681 745 1HG GLU 94 HG2 GLU 94 -10.065 -5.674 -29.832 746 2HG GLU 94 HG1 GLU 94 -9.511 -4.090 -29.295 747 H GLU 95 HN GLU 95 -10.506 -4.255 -25.114 748 HA GLU 95 HA GLU 95 -10.402 -6.440 -23.304 749 1HB GLU 95 HB2 GLU 95 -9.571 -3.963 -23.053 750 2HB GLU 95 HB1 GLU 95 -11.192 -3.676 -22.435 751 1HG GLU 95 HG2 GLU 95 -10.761 -5.631 -20.840 752 2HG GLU 95 HG1 GLU 95 -9.073 -5.524 -21.333 753 H MET 96 HN MET 96 -12.981 -4.184 -24.242 754 HA MET 96 HA MET 96 -15.010 -4.986 -22.469 755 1HB MET 96 HB2 MET 96 -15.029 -2.987 -24.022 756 2HB MET 96 HB1 MET 96 -15.429 -4.093 -25.330 757 1HG MET 96 HG2 MET 96 -17.305 -4.790 -23.477 758 2HG MET 96 HG1 MET 96 -17.098 -3.083 -23.112 759 1HE MET 96 HE1 MET 96 -17.656 -5.727 -25.691 760 2HE MET 96 HE3 MET 96 -18.852 -5.051 -26.807 761 3HE MET 96 HE2 MET 96 -17.137 -4.722 -27.040 762 H ASN 97 HN ASN 97 -14.237 -6.158 -25.742 763 HA ASN 97 HA ASN 97 -16.275 -8.111 -25.949 764 1HB ASN 97 HB2 ASN 97 -14.885 -7.222 -27.848 765 2HB ASN 97 HB1 ASN 97 -13.534 -8.182 -27.255 766 1HD2 ASN 97 HD22 ASN 97 -14.620 -11.079 -28.845 767 2HD2 ASN 97 HD21 ASN 97 -13.353 -10.180 -28.073 768 H THR 98 HN THR 98 -12.919 -8.334 -24.810 769 HA THR 98 HA THR 98 -12.843 -11.109 -24.287 770 HB THR 98 HB THR 98 -11.297 -8.986 -22.786 771 HG1 THR 98 HG1 THR 98 -10.973 -8.505 -24.923 772 1HG2 THR 98 HG21 THR 98 -11.100 -11.356 -22.013 773 2HG2 THR 98 HG23 THR 98 -10.502 -11.780 -23.617 774 3HG2 THR 98 HG22 THR 98 -9.584 -10.674 -22.597 775 H TRP 99 HN TRP 99 -13.757 -8.357 -22.216 776 HA TRP 99 HA TRP 99 -14.141 -9.774 -19.792 777 1HB TRP 99 HB2 TRP 99 -15.143 -7.159 -20.891 778 2HB TRP 99 HB1 TRP 99 -15.828 -7.783 -19.399 779 HD1 TRP 99 HD1 TRP 99 -13.246 -5.457 -20.430 780 HE1 TRP 99 HE1 TRP 99 -11.493 -5.143 -18.601 781 HE3 TRP 99 HE3 TRP 99 -14.326 -9.494 -17.445 782 HZ2 TRP 99 HZ2 TRP 99 -10.665 -6.376 -16.225 783 HZ3 TRP 99 HZ3 TRP 99 -13.006 -9.850 -15.397 784 HH2 TRP 99 HH2 TRP 99 -11.195 -8.309 -14.794 785 H ILE 100 HN ILE 100 -16.521 -8.719 -22.228 786 HA ILE 100 HA ILE 100 -18.810 -9.886 -21.117 787 HB ILE 100 HB ILE 100 -18.075 -9.220 -23.967 788 1HG1 ILE 100 HG12 ILE 100 -19.959 -7.886 -22.014 789 2HG1 ILE 100 HG11 ILE 100 -18.308 -7.363 -22.319 790 1HG2 ILE 100 HG23 ILE 100 -20.610 -10.401 -22.879 791 2HG2 ILE 100 HG22 ILE 100 -20.667 -9.289 -24.248 792 3HG2 ILE 100 HG21 ILE 100 -19.742 -10.786 -24.369 793 1HD1 ILE 100 HD11 ILE 100 -19.188 -7.380 -24.841 794 2HD1 ILE 100 HD13 ILE 100 -20.728 -7.105 -24.026 795 3HD1 ILE 100 HD12 ILE 100 -19.389 -5.983 -23.788 796 H GLN 101 HN GLN 101 -16.601 -11.251 -23.589 797 HA GLN 101 HA GLN 101 -17.983 -13.710 -23.883 798 1HB GLN 101 HB2 GLN 101 -15.205 -12.790 -24.561 799 2HB GLN 101 HB1 GLN 101 -15.679 -14.472 -24.796 800 1HG GLN 101 HG2 GLN 101 -17.582 -13.718 -26.196 801 2HG GLN 101 HG1 GLN 101 -17.049 -12.051 -26.004 802 1HE2 GLN 101 HE22 GLN 101 -15.655 -12.981 -29.208 803 2HE2 GLN 101 HE21 GLN 101 -17.158 -12.508 -28.468 804 H ALA 102 HN ALA 102 -15.301 -12.774 -21.738 805 HA ALA 102 HA ALA 102 -14.787 -15.377 -20.697 806 1HB ALA 102 HB1 ALA 102 -13.197 -13.519 -20.440 807 2HB ALA 102 HB3 ALA 102 -14.343 -12.673 -19.402 808 3HB ALA 102 HB2 ALA 102 -13.630 -14.197 -18.874 809 H ILE 103 HN ILE 103 -16.905 -12.736 -19.651 810 HA ILE 103 HA ILE 103 -17.876 -13.975 -17.262 811 HB ILE 103 HB ILE 103 -18.853 -11.725 -19.022 812 1HG1 ILE 103 HG12 ILE 103 -18.046 -11.495 -16.149 813 2HG1 ILE 103 HG11 ILE 103 -16.793 -11.677 -17.374 814 1HG2 ILE 103 HG21 ILE 103 -20.217 -12.976 -16.665 815 2HG2 ILE 103 HG23 ILE 103 -20.343 -11.238 -16.932 816 3HG2 ILE 103 HG22 ILE 103 -20.914 -12.359 -18.166 817 1HD1 ILE 103 HD13 ILE 103 -18.552 -9.710 -18.369 818 2HD1 ILE 103 HD12 ILE 103 -18.311 -9.333 -16.662 819 3HD1 ILE 103 HD11 ILE 103 -16.923 -9.468 -17.738 820 H SER 104 HN SER 104 -18.987 -13.953 -20.644 821 HA SER 104 HA SER 104 -21.470 -15.289 -20.215 822 1HB SER 104 HB2 SER 104 -19.739 -15.176 -22.698 823 2HB SER 104 HB1 SER 104 -21.430 -15.663 -22.641 824 HG SER 104 HG SER 104 -20.306 -13.098 -22.168 825 H SER 105 HN SER 105 -18.174 -16.386 -20.680 826 HA SER 105 HA SER 105 -18.944 -19.200 -20.938 827 1HB SER 105 HB2 SER 105 -16.152 -18.067 -20.735 828 2HB SER 105 HB1 SER 105 -16.646 -19.624 -21.395 829 HG SER 105 HG SER 105 -17.197 -17.036 -22.479 830 H ALA 106 HN ALA 106 -19.045 -17.310 -18.366 831 HA ALA 106 HA ALA 106 -17.378 -18.729 -16.471 832 1HB ALA 106 HB1 ALA 106 -17.972 -16.340 -16.171 833 2HB ALA 106 HB3 ALA 106 -19.661 -16.803 -15.954 834 3HB ALA 106 HB2 ALA 106 -18.445 -17.330 -14.790 No H/Q in entry = 834 Start of MODEL 45 1 1H MET 1 HT1 MET 1 -7.269 -13.445 -15.680 2 2H MET 1 HT3 MET 1 -8.663 -14.415 -15.751 3 3H MET 1 HT2 MET 1 -7.674 -14.243 -17.134 4 HA MET 1 HA MET 1 -8.329 -12.071 -17.508 5 1HB MET 1 HB2 MET 1 -10.696 -13.678 -16.525 6 2HB MET 1 HB1 MET 1 -10.867 -12.119 -17.323 7 1HG MET 1 HG2 MET 1 -11.119 -13.659 -19.064 8 2HG MET 1 HG1 MET 1 -9.446 -13.142 -19.213 9 1HE MET 1 HE3 MET 1 -11.851 -15.937 -17.839 10 2HE MET 1 HE2 MET 1 -11.609 -16.091 -19.578 11 3HE MET 1 HE1 MET 1 -11.000 -17.338 -18.495 12 H GLU 2 HN GLU 2 -7.280 -10.722 -16.068 13 HA GLU 2 HA GLU 2 -8.924 -9.699 -13.817 14 1HB GLU 2 HB2 GLU 2 -5.924 -9.649 -13.674 15 2HB GLU 2 HB1 GLU 2 -7.104 -9.591 -12.372 16 1HG GLU 2 HG2 GLU 2 -6.382 -11.740 -12.071 17 2HG GLU 2 HG1 GLU 2 -7.644 -12.065 -13.253 18 H GLY 3 HN GLY 3 -8.791 -7.445 -13.499 19 1HA GLY 3 HA2 GLY 3 -7.036 -5.620 -14.585 20 2HA GLY 3 HA1 GLY 3 -8.229 -5.897 -15.853 21 H PHE 4 HN PHE 4 -8.123 -3.417 -15.038 22 HA PHE 4 HA PHE 4 -9.967 -2.857 -12.848 23 1HB PHE 4 HB2 PHE 4 -8.319 -1.209 -14.721 24 2HB PHE 4 HB1 PHE 4 -9.636 -0.459 -13.837 25 HD1 PHE 4 HD1 PHE 4 -9.648 -0.586 -11.334 26 HD2 PHE 4 HD2 PHE 4 -6.243 -1.651 -13.679 27 HE1 PHE 4 HE1 PHE 4 -8.208 -0.339 -9.359 28 HE2 PHE 4 HE2 PHE 4 -4.801 -1.391 -11.700 29 HZ PHE 4 HZ PHE 4 -5.786 -0.734 -9.534 30 H LEU 5 HN LEU 5 -11.981 -1.960 -13.071 31 HA LEU 5 HA LEU 5 -13.164 -1.621 -15.738 32 1HB LEU 5 HB2 LEU 5 -13.903 -3.739 -13.759 33 2HB LEU 5 HB1 LEU 5 -15.213 -2.934 -14.612 34 HG LEU 5 HG LEU 5 -12.867 -4.191 -16.017 35 1HD1 LEU 5 HD12 LEU 5 -15.379 -5.385 -14.977 36 2HD1 LEU 5 HD11 LEU 5 -14.832 -5.901 -16.573 37 3HD1 LEU 5 HD13 LEU 5 -13.781 -6.102 -15.170 38 1HD2 LEU 5 HD21 LEU 5 -15.472 -2.983 -16.890 39 2HD2 LEU 5 HD23 LEU 5 -13.849 -2.727 -17.534 40 3HD2 LEU 5 HD22 LEU 5 -14.702 -4.233 -17.866 41 H ASN 6 HN ASN 6 -14.894 -0.211 -15.756 42 HA ASN 6 HA ASN 6 -15.243 1.446 -13.358 43 1HB ASN 6 HB2 ASN 6 -15.091 2.070 -16.065 44 2HB ASN 6 HB1 ASN 6 -16.814 2.172 -15.729 45 1HD2 ASN 6 HD22 ASN 6 -14.336 4.631 -13.529 46 2HD2 ASN 6 HD21 ASN 6 -13.846 3.013 -13.929 47 H ARG 7 HN ARG 7 -16.872 1.026 -11.980 48 HA ARG 7 HA ARG 7 -19.123 -0.644 -12.967 49 1HB ARG 7 HB2 ARG 7 -17.578 -1.637 -11.241 50 2HB ARG 7 HB1 ARG 7 -18.145 -0.409 -10.113 51 1HG ARG 7 HG2 ARG 7 -20.500 -1.250 -10.535 52 2HG ARG 7 HG1 ARG 7 -19.781 -2.579 -11.436 53 1HD ARG 7 HD2 ARG 7 -19.919 -3.612 -9.402 54 2HD ARG 7 HD1 ARG 7 -18.358 -2.828 -9.179 55 HE ARG 7 HE ARG 7 -19.486 -1.088 -7.872 56 1HH1 ARG 7 HH21 ARG 7 -22.253 -0.967 -8.173 57 2HH1 ARG 7 HH22 ARG 7 -22.943 -2.076 -7.024 58 1HH2 ARG 7 HH11 ARG 7 -19.963 -3.851 -6.535 59 2HH2 ARG 7 HH12 ARG 7 -21.654 -3.728 -6.125 60 H LYS 8 HN LYS 8 -21.091 0.108 -12.905 61 HA LYS 8 HA LYS 8 -21.885 2.230 -11.006 62 1HB LYS 8 HB2 LYS 8 -21.478 3.283 -13.214 63 2HB LYS 8 HB1 LYS 8 -22.630 2.176 -13.943 64 1HG LYS 8 HG2 LYS 8 -24.191 3.163 -11.993 65 2HG LYS 8 HG1 LYS 8 -23.093 4.519 -12.155 66 1HD LYS 8 HD2 LYS 8 -24.281 5.224 -13.910 67 2HD LYS 8 HD1 LYS 8 -23.793 3.781 -14.784 68 1HE LYS 8 HE2 LYS 8 -26.131 3.694 -14.884 69 2HE LYS 8 HE1 LYS 8 -25.752 2.622 -13.540 70 1HZ LYS 8 HZ1 LYS 8 -26.086 4.706 -12.111 71 2HZ LYS 8 HZ3 LYS 8 -26.848 5.359 -13.483 72 3HZ LYS 8 HZ2 LYS 8 -27.472 3.949 -12.764 73 H HIS 9 HN HIS 9 -23.795 1.705 -10.034 74 HA HIS 9 HA HIS 9 -25.045 -0.790 -10.863 75 1HB HIS 9 HB2 HIS 9 -26.211 -0.404 -8.594 76 2HB HIS 9 HB1 HIS 9 -24.573 -0.993 -8.634 77 HD1 HIS 9 HD1 HIS 9 -24.276 -0.128 -6.235 78 HD2 HIS 9 HD2 HIS 9 -25.082 2.862 -8.982 79 HE1 HIS 9 HE1 HIS 9 -23.703 1.996 -5.065 80 H GLU 10 HN GLU 10 -26.843 -0.803 -11.971 81 HA GLU 10 HA GLU 10 -28.525 1.566 -12.219 82 1HB GLU 10 HB2 GLU 10 -28.280 -1.093 -13.591 83 2HB GLU 10 HB1 GLU 10 -29.822 -0.263 -13.660 84 1HG GLU 10 HG2 GLU 10 -27.206 1.014 -14.470 85 2HG GLU 10 HG1 GLU 10 -28.293 0.208 -15.600 86 H TRP 11 HN TRP 11 -28.635 -1.752 -11.045 87 HA TRP 11 HA TRP 11 -30.737 -1.033 -9.140 88 1HB TRP 11 HB2 TRP 11 -31.842 -2.037 -11.172 89 2HB TRP 11 HB1 TRP 11 -30.925 -3.506 -10.874 90 HD1 TRP 11 HD1 TRP 11 -33.739 -1.377 -9.259 91 HE1 TRP 11 HE1 TRP 11 -35.040 -2.895 -7.663 92 HE3 TRP 11 HE3 TRP 11 -30.864 -5.596 -9.552 93 HZ2 TRP 11 HZ2 TRP 11 -34.886 -5.509 -6.638 94 HZ3 TRP 11 HZ3 TRP 11 -31.497 -7.579 -8.216 95 HH2 TRP 11 HH2 TRP 11 -33.487 -7.535 -6.778 96 H GLU 12 HN GLU 12 -29.507 -1.266 -7.404 97 HA GLU 12 HA GLU 12 -28.266 -3.893 -6.834 98 1HB GLU 12 HB2 GLU 12 -26.549 -2.098 -7.293 99 2HB GLU 12 HB1 GLU 12 -27.167 -1.229 -5.890 100 1HG GLU 12 HG2 GLU 12 -26.425 -2.889 -4.387 101 2HG GLU 12 HG1 GLU 12 -26.285 -4.100 -5.659 102 H ALA 13 HN ALA 13 -30.006 -1.069 -5.771 103 HA ALA 13 HA ALA 13 -30.502 -2.171 -3.092 104 1HB ALA 13 HB2 ALA 13 -29.865 0.271 -3.464 105 2HB ALA 13 HB1 ALA 13 -31.455 0.477 -4.207 106 3HB ALA 13 HB3 ALA 13 -31.327 -0.011 -2.515 107 H HIS 14 HN HIS 14 -32.983 -1.508 -2.468 108 HA HIS 14 HA HIS 14 -34.651 -3.001 -4.402 109 1HB HIS 14 HB2 HIS 14 -34.380 -3.694 -1.939 110 2HB HIS 14 HB1 HIS 14 -35.399 -2.313 -1.558 111 HD1 HIS 14 HD1 HIS 14 -37.478 -3.569 -0.821 112 HD2 HIS 14 HD2 HIS 14 -36.143 -4.799 -4.548 113 HE1 HIS 14 HE1 HIS 14 -39.302 -5.026 -1.718 114 H ASN 15 HN ASN 15 -34.271 0.142 -2.971 115 HA ASN 15 HA ASN 15 -36.941 1.046 -3.714 116 1HB ASN 15 HB2 ASN 15 -35.730 1.779 -1.615 117 2HB ASN 15 HB1 ASN 15 -34.657 2.718 -2.647 118 1HD2 ASN 15 HD22 ASN 15 -36.858 5.415 -2.743 119 2HD2 ASN 15 HD21 ASN 15 -35.235 4.798 -2.761 120 H LYS 16 HN LYS 16 -37.135 1.079 -5.884 121 HA LYS 16 HA LYS 16 -37.031 1.783 -8.024 122 1HB LYS 16 HB2 LYS 16 -35.813 4.183 -6.665 123 2HB LYS 16 HB1 LYS 16 -36.155 4.137 -8.393 124 1HG LYS 16 HG2 LYS 16 -38.425 3.193 -6.854 125 2HG LYS 16 HG1 LYS 16 -37.933 4.796 -6.325 126 1HD LYS 16 HD2 LYS 16 -38.325 4.119 -9.244 127 2HD LYS 16 HD1 LYS 16 -39.658 4.652 -8.227 128 1HE LYS 16 HE2 LYS 16 -37.113 6.200 -8.784 129 2HE LYS 16 HE1 LYS 16 -38.705 6.534 -9.459 130 1HZ LYS 16 HZ2 LYS 16 -39.344 6.641 -6.930 131 2HZ LYS 16 HZ1 LYS 16 -37.687 7.014 -6.754 132 3HZ LYS 16 HZ3 LYS 16 -38.678 7.989 -7.739 133 H LYS 17 HN LYS 17 -33.888 3.214 -7.103 134 HA LYS 17 HA LYS 17 -32.445 1.195 -8.657 135 1HB LYS 17 HB2 LYS 17 -31.293 3.037 -9.986 136 2HB LYS 17 HB1 LYS 17 -32.949 2.666 -10.437 137 1HG LYS 17 HG2 LYS 17 -33.728 4.608 -9.095 138 2HG LYS 17 HG1 LYS 17 -32.049 4.997 -8.726 139 1HD LYS 17 HD2 LYS 17 -32.743 6.406 -10.541 140 2HD LYS 17 HD1 LYS 17 -31.633 5.208 -11.198 141 1HE LYS 17 HE2 LYS 17 -34.534 4.522 -11.240 142 2HE LYS 17 HE1 LYS 17 -34.006 5.794 -12.336 143 1HZ LYS 17 HZ1 LYS 17 -32.150 3.974 -12.815 144 2HZ LYS 17 HZ3 LYS 17 -33.442 2.944 -12.384 145 3HZ LYS 17 HZ2 LYS 17 -33.620 4.053 -13.666 146 H ALA 18 HN ALA 18 -30.009 2.240 -8.803 147 HA ALA 18 HA ALA 18 -29.280 2.890 -6.000 148 1HB ALA 18 HB2 ALA 18 -27.807 1.185 -8.020 149 2HB ALA 18 HB1 ALA 18 -27.212 1.597 -6.407 150 3HB ALA 18 HB3 ALA 18 -28.663 0.610 -6.585 151 H SER 19 HN SER 19 -27.953 4.563 -5.644 152 HA SER 19 HA SER 19 -26.373 5.750 -7.826 153 1HB SER 19 HB2 SER 19 -28.336 7.354 -6.159 154 2HB SER 19 HB1 SER 19 -27.218 8.003 -7.355 155 HG SER 19 HG SER 19 -29.672 6.855 -7.719 156 H SER 20 HN SER 20 -25.849 4.244 -5.319 157 HA SER 20 HA SER 20 -24.792 6.044 -3.350 158 1HB SER 20 HB2 SER 20 -23.632 3.362 -3.302 159 2HB SER 20 HB1 SER 20 -24.626 4.181 -2.103 160 HG SER 20 HG SER 20 -25.406 2.155 -3.426 161 H ARG 21 HN ARG 21 -23.382 4.060 -5.923 162 HA ARG 21 HA ARG 21 -20.983 5.779 -5.945 163 1HB ARG 21 HB2 ARG 21 -21.093 2.936 -5.294 164 2HB ARG 21 HB1 ARG 21 -20.101 3.219 -6.717 165 1HG ARG 21 HG2 ARG 21 -18.507 3.511 -5.105 166 2HG ARG 21 HG1 ARG 21 -19.100 5.167 -5.209 167 1HD ARG 21 HD2 ARG 21 -20.805 4.263 -3.349 168 2HD ARG 21 HD1 ARG 21 -19.480 3.136 -3.052 169 HE ARG 21 HE ARG 21 -18.020 5.158 -2.761 170 1HH1 ARG 21 HH21 ARG 21 -19.664 7.440 -3.463 171 2HH1 ARG 21 HH22 ARG 21 -20.377 7.934 -1.953 172 1HH2 ARG 21 HH11 ARG 21 -19.765 4.870 -0.334 173 2HH2 ARG 21 HH12 ARG 21 -20.463 6.469 -0.177 174 H SER 22 HN SER 22 -22.155 6.807 -7.659 175 HA SER 22 HA SER 22 -22.852 5.373 -10.065 176 1HB SER 22 HB2 SER 22 -22.575 8.351 -9.586 177 2HB SER 22 HB1 SER 22 -23.348 7.587 -10.975 178 HG SER 22 HG SER 22 -24.582 8.291 -8.852 179 H TRP 23 HN TRP 23 -21.108 4.387 -10.922 180 HA TRP 23 HA TRP 23 -19.307 4.073 -12.244 181 1HB TRP 23 HB2 TRP 23 -19.518 7.065 -12.600 182 2HB TRP 23 HB1 TRP 23 -18.216 6.136 -13.321 183 HD1 TRP 23 HD1 TRP 23 -21.471 7.428 -14.306 184 HE1 TRP 23 HE1 TRP 23 -22.475 6.070 -16.226 185 HE3 TRP 23 HE3 TRP 23 -18.454 3.306 -14.122 186 HZ2 TRP 23 HZ2 TRP 23 -22.057 3.584 -17.513 187 HZ3 TRP 23 HZ3 TRP 23 -18.790 1.490 -15.722 188 HH2 TRP 23 HH2 TRP 23 -20.580 1.614 -17.412 189 H HIS 24 HN HIS 24 -17.928 3.165 -10.881 190 HA HIS 24 HA HIS 24 -15.874 4.865 -9.612 191 1HB HIS 24 HB2 HIS 24 -17.622 3.975 -7.981 192 2HB HIS 24 HB1 HIS 24 -17.055 2.355 -8.376 193 HD1 HIS 24 HD1 HIS 24 -16.087 5.433 -6.533 194 HD2 HIS 24 HD2 HIS 24 -14.549 1.680 -7.319 195 HE1 HIS 24 HE1 HIS 24 -14.152 5.191 -4.960 196 H ASN 25 HN ASN 25 -13.827 4.173 -9.999 197 HA ASN 25 HA ASN 25 -13.377 1.965 -11.830 198 1HB ASN 25 HB2 ASN 25 -12.106 4.128 -11.927 199 2HB ASN 25 HB1 ASN 25 -11.359 3.715 -10.387 200 1HD2 ASN 25 HD22 ASN 25 -8.799 1.976 -11.979 201 2HD2 ASN 25 HD21 ASN 25 -9.343 3.010 -10.697 202 H VAL 26 HN VAL 26 -13.357 -0.057 -11.073 203 HA VAL 26 HA VAL 26 -11.990 -0.638 -8.512 204 HB VAL 26 HB VAL 26 -14.587 -0.651 -8.528 205 1HG1 VAL 26 HG13 VAL 26 -14.660 -2.070 -10.645 206 2HG1 VAL 26 HG12 VAL 26 -14.205 -3.430 -9.618 207 3HG1 VAL 26 HG11 VAL 26 -15.712 -2.565 -9.319 208 1HG2 VAL 26 HG21 VAL 26 -13.140 -1.483 -6.703 209 2HG2 VAL 26 HG23 VAL 26 -14.647 -2.387 -6.869 210 3HG2 VAL 26 HG22 VAL 26 -13.136 -3.073 -7.474 211 H TYR 27 HN TYR 27 -11.153 -2.801 -8.356 212 HA TYR 27 HA TYR 27 -10.202 -3.816 -10.950 213 1HB TYR 27 HB2 TYR 27 -8.671 -3.227 -8.976 214 2HB TYR 27 HB1 TYR 27 -9.260 -4.699 -8.224 215 HD1 TYR 27 HD1 TYR 27 -7.378 -3.340 -11.109 216 HD2 TYR 27 HD2 TYR 27 -8.523 -6.833 -8.945 217 HE1 TYR 27 HE1 TYR 27 -5.723 -4.670 -12.358 218 HE2 TYR 27 HE2 TYR 27 -6.871 -8.152 -10.195 219 HH TYR 27 HH TYR 27 -5.265 -6.927 -12.981 220 H CYS 28 HN CYS 28 -11.039 -5.598 -11.811 221 HA CYS 28 HA CYS 28 -12.655 -7.406 -10.099 222 1HB CYS 28 HB2 CYS 28 -12.931 -6.871 -13.062 223 2HB CYS 28 HB1 CYS 28 -13.971 -7.897 -12.079 224 HG CYS 28 HG CYS 28 -13.838 -4.908 -11.302 225 H VAL 29 HN VAL 29 -12.169 -9.514 -10.069 226 HA VAL 29 HA VAL 29 -10.207 -10.618 -12.006 227 HB VAL 29 HB VAL 29 -10.289 -11.095 -9.015 228 1HG1 VAL 29 HG11 VAL 29 -8.667 -12.360 -11.213 229 2HG1 VAL 29 HG13 VAL 29 -8.112 -12.338 -9.539 230 3HG1 VAL 29 HG12 VAL 29 -9.625 -13.146 -9.955 231 1HG2 VAL 29 HG22 VAL 29 -8.732 -9.271 -10.713 232 2HG2 VAL 29 HG21 VAL 29 -9.073 -9.204 -8.982 233 3HG2 VAL 29 HG23 VAL 29 -7.773 -10.231 -9.588 234 H ILE 30 HN ILE 30 -11.204 -12.200 -13.107 235 HA ILE 30 HA ILE 30 -13.623 -13.449 -12.123 236 HB ILE 30 HB ILE 30 -12.002 -13.978 -14.623 237 1HG1 ILE 30 HG12 ILE 30 -14.472 -12.288 -14.149 238 2HG1 ILE 30 HG11 ILE 30 -12.860 -11.697 -14.536 239 1HG2 ILE 30 HG22 ILE 30 -14.725 -14.942 -13.740 240 2HG2 ILE 30 HG21 ILE 30 -14.219 -14.930 -15.429 241 3HG2 ILE 30 HG23 ILE 30 -13.338 -15.904 -14.255 242 1HD1 ILE 30 HD11 ILE 30 -12.981 -12.939 -16.700 243 2HD1 ILE 30 HD13 ILE 30 -14.652 -13.357 -16.317 244 3HD1 ILE 30 HD12 ILE 30 -14.195 -11.669 -16.548 245 H ASN 31 HN ASN 31 -13.895 -15.502 -11.420 246 HA ASN 31 HA ASN 31 -11.597 -17.331 -11.263 247 1HB ASN 31 HB2 ASN 31 -12.019 -15.834 -9.119 248 2HB ASN 31 HB1 ASN 31 -13.330 -16.975 -8.826 249 1HD2 ASN 31 HD22 ASN 31 -10.668 -18.534 -6.994 250 2HD2 ASN 31 HD21 ASN 31 -11.893 -17.305 -6.876 251 H ASN 32 HN ASN 32 -12.882 -19.240 -9.674 252 HA ASN 32 HA ASN 32 -14.244 -20.815 -11.495 253 1HB ASN 32 HB2 ASN 32 -15.045 -22.082 -9.375 254 2HB ASN 32 HB1 ASN 32 -13.321 -21.968 -9.701 255 1HD2 ASN 32 HD22 ASN 32 -14.895 -19.874 -6.542 256 2HD2 ASN 32 HD21 ASN 32 -15.907 -20.341 -7.869 257 H GLN 33 HN GLN 33 -15.903 -19.685 -12.540 258 HA GLN 33 HA GLN 33 -18.039 -19.006 -12.980 259 1HB GLN 33 HB2 GLN 33 -18.636 -20.790 -10.610 260 2HB GLN 33 HB1 GLN 33 -19.858 -20.136 -11.694 261 1HG GLN 33 HG2 GLN 33 -19.206 -21.468 -13.471 262 2HG GLN 33 HG1 GLN 33 -17.559 -21.651 -12.876 263 1HE2 GLN 33 HE22 GLN 33 -18.202 -24.609 -11.163 264 2HE2 GLN 33 HE21 GLN 33 -17.059 -23.431 -11.744 265 H GLU 34 HN GLU 34 -16.386 -17.360 -11.144 266 HA GLU 34 HA GLU 34 -18.464 -15.541 -10.277 267 1HB GLU 34 HB2 GLU 34 -17.841 -15.503 -7.926 268 2HB GLU 34 HB1 GLU 34 -18.277 -17.141 -8.393 269 1HG GLU 34 HG2 GLU 34 -15.843 -17.660 -8.641 270 2HG GLU 34 HG1 GLU 34 -15.481 -16.059 -7.998 271 H MET 35 HN MET 35 -17.281 -13.679 -8.968 272 HA MET 35 HA MET 35 -14.620 -13.119 -10.061 273 1HB MET 35 HB2 MET 35 -15.291 -10.930 -10.916 274 2HB MET 35 HB1 MET 35 -16.160 -12.215 -11.744 275 1HG MET 35 HG2 MET 35 -18.096 -11.810 -10.204 276 2HG MET 35 HG1 MET 35 -17.224 -10.431 -9.546 277 1HE MET 35 HE2 MET 35 -19.594 -9.390 -10.062 278 2HE MET 35 HE1 MET 35 -20.074 -8.801 -11.654 279 3HE MET 35 HE3 MET 35 -20.288 -10.506 -11.237 280 H GLY 36 HN GLY 36 -13.462 -11.613 -8.873 281 1HA GLY 36 HA2 GLY 36 -14.628 -10.892 -6.240 282 2HA GLY 36 HA1 GLY 36 -12.937 -11.289 -6.509 283 H PHE 37 HN PHE 37 -14.727 -8.814 -5.715 284 HA PHE 37 HA PHE 37 -13.589 -6.789 -7.519 285 1HB PHE 37 HB2 PHE 37 -15.600 -6.588 -5.264 286 2HB PHE 37 HB1 PHE 37 -15.017 -5.218 -6.199 287 HD1 PHE 37 HD1 PHE 37 -15.333 -5.347 -8.786 288 HD2 PHE 37 HD2 PHE 37 -17.479 -7.751 -5.976 289 HE1 PHE 37 HE1 PHE 37 -17.073 -5.768 -10.473 290 HE2 PHE 37 HE2 PHE 37 -19.215 -8.172 -7.671 291 HZ PHE 37 HZ PHE 37 -19.026 -7.115 -9.923 292 H TYR 38 HN TYR 38 -11.672 -5.938 -7.014 293 HA TYR 38 HA TYR 38 -10.939 -5.559 -4.159 294 1HB TYR 38 HB2 TYR 38 -8.992 -6.365 -6.338 295 2HB TYR 38 HB1 TYR 38 -8.661 -6.205 -4.617 296 HD1 TYR 38 HD2 TYR 38 -10.253 -8.284 -7.192 297 HD2 TYR 38 HD1 TYR 38 -9.261 -7.929 -3.062 298 HE1 TYR 38 HE2 TYR 38 -10.780 -10.660 -6.870 299 HE2 TYR 38 HE1 TYR 38 -9.798 -10.307 -2.736 300 HH TYR 38 HH TYR 38 -11.473 -12.024 -4.143 301 H LYS 39 HN LYS 39 -8.792 -4.100 -4.186 302 HA LYS 39 HA LYS 39 -9.567 -1.592 -5.284 303 1HB LYS 39 HB2 LYS 39 -6.932 -2.212 -3.990 304 2HB LYS 39 HB1 LYS 39 -7.887 -0.760 -3.959 305 1HG LYS 39 HG2 LYS 39 -9.545 -2.640 -2.760 306 2HG LYS 39 HG1 LYS 39 -7.937 -2.966 -2.119 307 1HD LYS 39 HD2 LYS 39 -7.787 -0.434 -1.721 308 2HD LYS 39 HD1 LYS 39 -9.524 -0.409 -2.007 309 1HE LYS 39 HE2 LYS 39 -9.922 -1.888 -0.144 310 2HE LYS 39 HE1 LYS 39 -8.190 -2.136 0.081 311 1HZ LYS 39 HZ3 LYS 39 -8.636 0.606 0.147 312 2HZ LYS 39 HZ2 LYS 39 -9.833 -0.106 1.133 313 3HZ LYS 39 HZ1 LYS 39 -8.175 -0.410 1.435 314 H ASP 40 HN ASP 40 -6.855 -3.839 -5.760 315 HA ASP 40 HA ASP 40 -6.521 -3.040 -8.521 316 1HB ASP 40 HB2 ASP 40 -4.296 -2.206 -8.392 317 2HB ASP 40 HB1 ASP 40 -5.214 -1.321 -7.181 318 H ALA 41 HN ALA 41 -4.101 -4.112 -9.069 319 HA ALA 41 HA ALA 41 -4.579 -6.893 -9.155 320 1HB ALA 41 HB1 ALA 41 -3.202 -5.617 -10.799 321 2HB ALA 41 HB3 ALA 41 -1.939 -5.478 -9.577 322 3HB ALA 41 HB2 ALA 41 -2.398 -7.066 -10.190 323 H LYS 42 HN LYS 42 -2.442 -4.955 -7.073 324 HA LYS 42 HA LYS 42 -1.205 -7.140 -5.737 325 1HB LYS 42 HB2 LYS 42 -1.630 -4.318 -4.742 326 2HB LYS 42 HB1 LYS 42 -0.471 -5.485 -4.110 327 1HG LYS 42 HG2 LYS 42 0.399 -5.566 -6.572 328 2HG LYS 42 HG1 LYS 42 -0.440 -4.027 -6.732 329 1HD LYS 42 HD2 LYS 42 1.665 -4.642 -4.654 330 2HD LYS 42 HD1 LYS 42 1.952 -3.759 -6.152 331 1HE LYS 42 HE2 LYS 42 0.119 -2.150 -5.366 332 2HE LYS 42 HE1 LYS 42 0.256 -2.928 -3.793 333 1HZ LYS 42 HZ2 LYS 42 2.822 -2.236 -4.757 334 2HZ LYS 42 HZ1 LYS 42 1.799 -0.864 -4.793 335 3HZ LYS 42 HZ3 LYS 42 2.031 -1.723 -3.336 336 H SER 43 HN SER 43 -4.127 -5.242 -5.054 337 HA SER 43 HA SER 43 -4.713 -6.377 -2.511 338 1HB SER 43 HB2 SER 43 -6.582 -5.171 -4.553 339 2HB SER 43 HB1 SER 43 -6.958 -5.462 -2.856 340 HG SER 43 HG SER 43 -4.964 -3.702 -3.904 341 H ALA 44 HN ALA 44 -5.515 -7.308 -5.822 342 HA ALA 44 HA ALA 44 -7.353 -9.409 -5.152 343 1HB ALA 44 HB3 ALA 44 -5.803 -8.786 -7.676 344 2HB ALA 44 HB2 ALA 44 -7.004 -10.075 -7.545 345 3HB ALA 44 HB1 ALA 44 -7.489 -8.392 -7.330 346 H ALA 45 HN ALA 45 -3.881 -9.225 -5.749 347 HA ALA 45 HA ALA 45 -3.360 -12.012 -5.903 348 1HB ALA 45 HB1 ALA 45 -1.835 -10.155 -6.664 349 2HB ALA 45 HB3 ALA 45 -1.427 -9.885 -4.971 350 3HB ALA 45 HB2 ALA 45 -1.052 -11.433 -5.735 351 H SER 46 HN SER 46 -2.812 -9.723 -3.193 352 HA SER 46 HA SER 46 -2.148 -11.755 -1.296 353 1HB SER 46 HB2 SER 46 -3.176 -8.996 -0.618 354 2HB SER 46 HB1 SER 46 -2.089 -10.020 0.320 355 HG SER 46 HG SER 46 -0.798 -9.790 -1.866 356 H GLY 47 HN GLY 47 -5.169 -10.051 -2.046 357 1HA GLY 47 HA2 GLY 47 -7.311 -11.129 -1.808 358 2HA GLY 47 HA1 GLY 47 -6.674 -12.035 -0.436 359 H ILE 48 HN ILE 48 -6.703 -8.603 -1.351 360 HA ILE 48 HA ILE 48 -7.738 -7.878 1.328 361 HB ILE 48 HB ILE 48 -6.247 -6.184 -0.692 362 1HG1 ILE 48 HG12 ILE 48 -5.202 -7.075 1.992 363 2HG1 ILE 48 HG11 ILE 48 -4.957 -8.044 0.542 364 1HG2 ILE 48 HG22 ILE 48 -7.231 -5.573 2.099 365 2HG2 ILE 48 HG21 ILE 48 -6.071 -4.572 1.224 366 3HG2 ILE 48 HG23 ILE 48 -7.703 -4.780 0.593 367 1HD1 ILE 48 HD12 ILE 48 -3.838 -6.146 -0.544 368 2HD1 ILE 48 HD11 ILE 48 -4.073 -5.175 0.912 369 3HD1 ILE 48 HD13 ILE 48 -3.030 -6.597 0.954 370 HA PRO 49 HA PRO 49 -11.366 -7.245 -1.321 371 1HB PRO 49 HB2 PRO 49 -13.186 -7.062 0.697 372 2HB PRO 49 HB1 PRO 49 -12.573 -8.588 0.050 373 1HG PRO 49 HG2 PRO 49 -11.787 -7.122 2.526 374 2HG PRO 49 HG1 PRO 49 -11.995 -8.863 2.267 375 1HD PRO 49 HD2 PRO 49 -9.556 -7.638 2.319 376 2HD PRO 49 HD1 PRO 49 -9.882 -9.114 1.389 377 H TYR 50 HN TYR 50 -13.022 -5.631 -1.541 378 HA TYR 50 HA TYR 50 -12.153 -2.947 -0.668 379 1HB TYR 50 HB2 TYR 50 -12.316 -3.689 -3.159 380 2HB TYR 50 HB1 TYR 50 -14.045 -3.515 -2.943 381 HD1 TYR 50 HD2 TYR 50 -14.760 -1.187 -1.819 382 HD2 TYR 50 HD1 TYR 50 -11.113 -1.884 -3.923 383 HE1 TYR 50 HE2 TYR 50 -14.542 1.227 -2.246 384 HE2 TYR 50 HE1 TYR 50 -10.904 0.522 -4.356 385 HH TYR 50 HH TYR 50 -12.716 2.548 -4.506 386 H HIS 51 HN HIS 51 -13.174 -3.083 1.351 387 HA HIS 51 HA HIS 51 -14.794 -2.650 2.870 388 1HB HIS 51 HB2 HIS 51 -16.214 -1.726 0.388 389 2HB HIS 51 HB1 HIS 51 -17.090 -1.831 1.906 390 HD1 HIS 51 HD1 HIS 51 -16.542 -0.132 3.712 391 HD2 HIS 51 HD2 HIS 51 -14.180 0.286 0.334 392 HE1 HIS 51 HE1 HIS 51 -15.351 2.049 4.019 393 H SER 52 HN SER 52 -17.434 -3.574 0.796 394 HA SER 52 HA SER 52 -17.490 -6.270 1.943 395 1HB SER 52 HB2 SER 52 -19.990 -4.596 1.829 396 2HB SER 52 HB1 SER 52 -19.666 -6.048 2.772 397 HG SER 52 HG SER 52 -19.019 -3.380 3.298 398 H GLU 53 HN GLU 53 -18.950 -7.645 0.894 399 HA GLU 53 HA GLU 53 -19.771 -8.791 -0.910 400 1HB GLU 53 HB2 GLU 53 -20.540 -5.998 -1.803 401 2HB GLU 53 HB1 GLU 53 -21.067 -7.476 -2.602 402 1HG GLU 53 HG2 GLU 53 -22.650 -7.877 -1.052 403 2HG GLU 53 HG1 GLU 53 -21.538 -7.581 0.280 404 H VAL 54 HN VAL 54 -17.315 -9.045 -1.128 405 HA VAL 54 HA VAL 54 -16.252 -7.846 -3.584 406 HB VAL 54 HB VAL 54 -15.047 -9.254 -1.242 407 1HG1 VAL 54 HG12 VAL 54 -13.876 -9.120 -3.988 408 2HG1 VAL 54 HG11 VAL 54 -12.824 -8.957 -2.587 409 3HG1 VAL 54 HG13 VAL 54 -13.790 -10.421 -2.801 410 1HG2 VAL 54 HG21 VAL 54 -14.930 -6.585 -2.512 411 2HG2 VAL 54 HG23 VAL 54 -14.959 -7.033 -0.809 412 3HG2 VAL 54 HG22 VAL 54 -13.468 -7.186 -1.737 413 HA PRO 55 HA PRO 55 -16.047 -12.419 -4.885 414 1HB PRO 55 HB2 PRO 55 -16.867 -14.412 -3.240 415 2HB PRO 55 HB1 PRO 55 -15.229 -13.750 -3.221 416 1HG PRO 55 HG2 PRO 55 -17.448 -13.348 -1.313 417 2HG PRO 55 HG1 PRO 55 -15.701 -13.311 -1.039 418 1HD PRO 55 HD2 PRO 55 -17.410 -11.092 -1.303 419 2HD PRO 55 HD1 PRO 55 -15.640 -11.080 -1.314 420 H VAL 56 HN VAL 56 -17.721 -11.913 -6.309 421 HA VAL 56 HA VAL 56 -20.462 -12.748 -5.531 422 HB VAL 56 HB VAL 56 -19.734 -10.722 -7.654 423 1HG1 VAL 56 HG11 VAL 56 -22.346 -11.432 -6.303 424 2HG1 VAL 56 HG13 VAL 56 -22.117 -10.103 -7.434 425 3HG1 VAL 56 HG12 VAL 56 -21.909 -11.768 -7.977 426 1HG2 VAL 56 HG21 VAL 56 -20.404 -10.354 -4.739 427 2HG2 VAL 56 HG23 VAL 56 -19.036 -9.701 -5.647 428 3HG2 VAL 56 HG22 VAL 56 -20.660 -9.081 -5.937 429 H SER 57 HN SER 57 -21.463 -14.221 -6.764 430 HA SER 57 HA SER 57 -19.961 -15.801 -8.586 431 1HB SER 57 HB2 SER 57 -22.874 -15.925 -7.919 432 2HB SER 57 HB1 SER 57 -21.891 -17.204 -8.596 433 HG SER 57 HG SER 57 -20.714 -16.305 -6.351 434 H LEU 58 HN LEU 58 -20.470 -16.357 -10.726 435 HA LEU 58 HA LEU 58 -21.997 -14.345 -12.292 436 1HB LEU 58 HB2 LEU 58 -19.361 -15.705 -12.879 437 2HB LEU 58 HB1 LEU 58 -20.357 -15.041 -14.168 438 HG LEU 58 HG LEU 58 -19.391 -13.449 -11.799 439 1HD1 LEU 58 HD22 LEU 58 -18.269 -13.625 -14.608 440 2HD1 LEU 58 HD21 LEU 58 -17.780 -12.435 -13.396 441 3HD1 LEU 58 HD23 LEU 58 -17.475 -14.154 -13.122 442 1HD2 LEU 58 HD13 LEU 58 -21.033 -12.855 -14.213 443 2HD2 LEU 58 HD12 LEU 58 -21.158 -12.216 -12.568 444 3HD2 LEU 58 HD11 LEU 58 -19.906 -11.616 -13.657 445 H LYS 59 HN LYS 59 -23.120 -16.653 -11.140 446 HA LYS 59 HA LYS 59 -23.226 -18.798 -13.065 447 1HB LYS 59 HB2 LYS 59 -23.652 -18.825 -10.458 448 2HB LYS 59 HB1 LYS 59 -25.303 -18.443 -10.934 449 1HG LYS 59 HG2 LYS 59 -25.515 -20.693 -11.066 450 2HG LYS 59 HG1 LYS 59 -24.780 -20.474 -12.650 451 1HD LYS 59 HD2 LYS 59 -23.350 -22.062 -11.876 452 2HD LYS 59 HD1 LYS 59 -22.542 -20.672 -11.153 453 1HE LYS 59 HE2 LYS 59 -23.772 -21.045 -9.053 454 2HE LYS 59 HE1 LYS 59 -24.584 -22.429 -9.778 455 1HZ LYS 59 HZ2 LYS 59 -21.646 -22.213 -9.448 456 2HZ LYS 59 HZ1 LYS 59 -22.680 -23.032 -8.368 457 3HZ LYS 59 HZ3 LYS 59 -22.527 -23.581 -9.977 458 H GLU 60 HN GLU 60 -24.235 -18.575 -14.940 459 HA GLU 60 HA GLU 60 -25.709 -17.960 -16.580 460 1HB GLU 60 HB2 GLU 60 -27.709 -17.873 -14.304 461 2HB GLU 60 HB1 GLU 60 -28.080 -18.011 -16.020 462 1HG GLU 60 HG2 GLU 60 -27.532 -20.218 -16.117 463 2HG GLU 60 HG1 GLU 60 -26.227 -20.066 -14.949 464 H ALA 61 HN ALA 61 -24.159 -15.909 -15.904 465 HA ALA 61 HA ALA 61 -25.669 -13.560 -15.151 466 1HB ALA 61 HB2 ALA 61 -23.301 -13.798 -14.537 467 2HB ALA 61 HB1 ALA 61 -22.854 -13.820 -16.246 468 3HB ALA 61 HB3 ALA 61 -23.564 -12.367 -15.530 469 H ILE 62 HN ILE 62 -27.023 -12.601 -16.549 470 HA ILE 62 HA ILE 62 -26.776 -12.949 -19.420 471 HB ILE 62 HB ILE 62 -28.649 -11.194 -17.820 472 1HG1 ILE 62 HG12 ILE 62 -29.299 -13.810 -19.165 473 2HG1 ILE 62 HG11 ILE 62 -28.783 -13.726 -17.485 474 1HG2 ILE 62 HG23 ILE 62 -28.315 -11.692 -20.730 475 2HG2 ILE 62 HG22 ILE 62 -29.961 -11.594 -20.104 476 3HG2 ILE 62 HG21 ILE 62 -28.854 -10.239 -19.883 477 1HD1 ILE 62 HD12 ILE 62 -31.171 -12.264 -18.630 478 2HD1 ILE 62 HD11 ILE 62 -31.245 -13.771 -17.713 479 3HD1 ILE 62 HD13 ILE 62 -30.674 -12.293 -16.935 480 H CYS 63 HN CYS 63 -25.876 -11.540 -20.847 481 HA CYS 63 HA CYS 63 -24.937 -8.930 -19.815 482 1HB CYS 63 HB2 CYS 63 -23.166 -10.783 -19.931 483 2HB CYS 63 HB1 CYS 63 -23.293 -10.623 -21.680 484 HG CYS 63 HG CYS 63 -22.222 -8.344 -21.577 485 H GLU 64 HN GLU 64 -25.297 -7.241 -21.073 486 HA GLU 64 HA GLU 64 -26.111 -7.647 -23.903 487 1HB GLU 64 HB2 GLU 64 -27.286 -5.767 -21.841 488 2HB GLU 64 HB1 GLU 64 -27.617 -5.667 -23.565 489 1HG GLU 64 HG2 GLU 64 -28.463 -8.048 -23.443 490 2HG GLU 64 HG1 GLU 64 -28.327 -7.930 -21.687 491 H VAL 65 HN VAL 65 -24.940 -6.444 -25.319 492 HA VAL 65 HA VAL 65 -22.811 -4.758 -24.392 493 HB VAL 65 HB VAL 65 -23.874 -5.023 -27.213 494 1HG1 VAL 65 HG13 VAL 65 -21.317 -3.977 -26.030 495 2HG1 VAL 65 HG12 VAL 65 -21.386 -4.556 -27.698 496 3HG1 VAL 65 HG11 VAL 65 -22.401 -3.205 -27.187 497 1HG2 VAL 65 HG23 VAL 65 -22.446 -6.957 -25.543 498 2HG2 VAL 65 HG22 VAL 65 -23.276 -7.184 -27.084 499 3HG2 VAL 65 HG21 VAL 65 -21.613 -6.603 -27.057 500 H ALA 66 HN ALA 66 -22.750 -2.610 -24.129 501 HA ALA 66 HA ALA 66 -25.054 -0.958 -25.009 502 1HB ALA 66 HB2 ALA 66 -25.069 -1.352 -22.555 503 2HB ALA 66 HB1 ALA 66 -23.462 -0.644 -22.447 504 3HB ALA 66 HB3 ALA 66 -24.826 0.343 -22.965 505 H LEU 67 HN LEU 67 -23.674 -0.716 -26.910 506 HA LEU 67 HA LEU 67 -21.193 0.795 -26.678 507 1HB LEU 67 HB2 LEU 67 -22.063 -0.991 -28.501 508 2HB LEU 67 HB1 LEU 67 -22.561 0.491 -29.304 509 HG LEU 67 HG LEU 67 -20.097 1.235 -28.656 510 1HD1 LEU 67 HD13 LEU 67 -20.060 -1.739 -28.480 511 2HD1 LEU 67 HD12 LEU 67 -18.687 -0.924 -29.223 512 3HD1 LEU 67 HD11 LEU 67 -19.148 -0.539 -27.563 513 1HD2 LEU 67 HD21 LEU 67 -21.138 -0.267 -31.003 514 2HD2 LEU 67 HD23 LEU 67 -20.541 1.390 -30.893 515 3HD2 LEU 67 HD22 LEU 67 -19.403 0.042 -30.915 516 H ASP 68 HN ASP 68 -24.383 1.621 -26.472 517 HA ASP 68 HA ASP 68 -24.108 4.244 -27.802 518 1HB ASP 68 HB2 ASP 68 -26.053 2.633 -28.290 519 2HB ASP 68 HB1 ASP 68 -26.652 3.057 -26.688 520 H TYR 69 HN TYR 69 -23.743 2.901 -24.749 521 HA TYR 69 HA TYR 69 -24.884 5.139 -23.262 522 1HB TYR 69 HB2 TYR 69 -24.802 2.608 -22.557 523 2HB TYR 69 HB1 TYR 69 -23.183 3.013 -22.002 524 HD1 TYR 69 HD1 TYR 69 -26.587 4.598 -21.858 525 HD2 TYR 69 HD2 TYR 69 -23.040 3.482 -19.754 526 HE1 TYR 69 HE1 TYR 69 -27.523 5.530 -19.777 527 HE2 TYR 69 HE2 TYR 69 -23.985 4.420 -17.681 528 HH TYR 69 HH TYR 69 -27.284 5.369 -17.405 529 H LYS 70 HN LYS 70 -23.667 6.543 -21.929 530 HA LYS 70 HA LYS 70 -22.005 8.023 -21.452 531 1HB LYS 70 HB2 LYS 70 -20.160 5.711 -22.129 532 2HB LYS 70 HB1 LYS 70 -19.685 7.196 -21.313 533 1HG LYS 70 HG2 LYS 70 -21.837 5.377 -20.227 534 2HG LYS 70 HG1 LYS 70 -20.137 5.163 -19.827 535 1HD LYS 70 HD2 LYS 70 -21.583 7.779 -19.414 536 2HD LYS 70 HD1 LYS 70 -21.536 6.526 -18.184 537 1HE LYS 70 HE2 LYS 70 -19.496 7.170 -17.526 538 2HE LYS 70 HE1 LYS 70 -18.864 7.002 -19.160 539 1HZ LYS 70 HZ2 LYS 70 -20.392 9.315 -19.138 540 2HZ LYS 70 HZ1 LYS 70 -19.451 9.356 -17.714 541 3HZ LYS 70 HZ3 LYS 70 -18.694 9.188 -19.226 542 H LYS 71 HN LYS 71 -23.113 8.561 -23.704 543 HA LYS 71 HA LYS 71 -22.889 9.829 -25.580 544 1HB LYS 71 HB2 LYS 71 -19.892 9.563 -25.328 545 2HB LYS 71 HB1 LYS 71 -20.787 10.746 -26.267 546 1HG LYS 71 HG2 LYS 71 -21.816 11.448 -23.989 547 2HG LYS 71 HG1 LYS 71 -20.467 10.563 -23.283 548 1HD LYS 71 HD2 LYS 71 -20.271 12.881 -25.212 549 2HD LYS 71 HD1 LYS 71 -19.932 12.928 -23.482 550 1HE LYS 71 HE2 LYS 71 -18.084 11.326 -23.788 551 2HE LYS 71 HE1 LYS 71 -18.418 11.276 -25.515 552 1HZ LYS 71 HZ2 LYS 71 -17.965 13.678 -25.608 553 2HZ LYS 71 HZ1 LYS 71 -17.501 13.626 -23.966 554 3HZ LYS 71 HZ3 LYS 71 -16.610 12.749 -25.127 555 H LYS 72 HN LYS 72 -20.077 7.774 -25.894 556 HA LYS 72 HA LYS 72 -21.286 5.772 -27.493 557 1HB LYS 72 HB2 LYS 72 -20.824 8.087 -28.952 558 2HB LYS 72 HB1 LYS 72 -19.387 7.137 -29.294 559 1HG LYS 72 HG2 LYS 72 -22.225 6.111 -29.557 560 2HG LYS 72 HG1 LYS 72 -21.277 6.751 -30.896 561 1HD LYS 72 HD2 LYS 72 -20.188 4.497 -29.223 562 2HD LYS 72 HD1 LYS 72 -21.372 4.167 -30.478 563 1HE LYS 72 HE2 LYS 72 -18.826 5.703 -31.005 564 2HE LYS 72 HE1 LYS 72 -18.939 3.953 -31.162 565 1HZ LYS 72 HZ1 LYS 72 -21.100 5.081 -32.528 566 2HZ LYS 72 HZ3 LYS 72 -19.693 5.915 -33.010 567 3HZ LYS 72 HZ2 LYS 72 -19.770 4.220 -33.169 568 H LYS 73 HN LYS 73 -20.037 4.981 -25.540 569 HA LYS 73 HA LYS 73 -17.225 4.483 -26.218 570 1HB LYS 73 HB2 LYS 73 -18.583 5.196 -23.675 571 2HB LYS 73 HB1 LYS 73 -17.357 3.949 -23.542 572 1HG LYS 73 HG2 LYS 73 -17.030 6.763 -24.543 573 2HG LYS 73 HG1 LYS 73 -16.247 6.004 -23.162 574 1HD LYS 73 HD2 LYS 73 -15.464 4.365 -25.226 575 2HD LYS 73 HD1 LYS 73 -15.528 5.936 -26.017 576 1HE LYS 73 HE2 LYS 73 -13.421 6.179 -25.218 577 2HE LYS 73 HE1 LYS 73 -14.222 6.570 -23.702 578 1HZ LYS 73 HZ2 LYS 73 -14.045 3.794 -23.874 579 2HZ LYS 73 HZ1 LYS 73 -12.511 4.437 -24.268 580 3HZ LYS 73 HZ3 LYS 73 -13.241 4.843 -22.790 581 H HIS 74 HN HIS 74 -16.932 2.430 -24.295 582 HA HIS 74 HA HIS 74 -18.559 0.267 -25.507 583 1HB HIS 74 HB2 HIS 74 -15.670 0.252 -24.592 584 2HB HIS 74 HB1 HIS 74 -16.562 -1.188 -25.066 585 HD1 HIS 74 HD1 HIS 74 -14.977 1.880 -26.462 586 HD2 HIS 74 HD2 HIS 74 -17.007 -1.443 -27.859 587 HE1 HIS 74 HE1 HIS 74 -14.722 1.966 -28.946 588 H VAL 75 HN VAL 75 -20.148 0.326 -23.918 589 HA VAL 75 HA VAL 75 -19.337 -0.525 -21.191 590 HB VAL 75 HB VAL 75 -21.895 0.862 -22.037 591 1HG1 VAL 75 HG12 VAL 75 -20.787 0.020 -19.382 592 2HG1 VAL 75 HG11 VAL 75 -21.903 1.373 -19.499 593 3HG1 VAL 75 HG13 VAL 75 -22.399 -0.227 -20.049 594 1HG2 VAL 75 HG21 VAL 75 -19.260 1.981 -21.418 595 2HG2 VAL 75 HG23 VAL 75 -20.627 2.699 -22.263 596 3HG2 VAL 75 HG22 VAL 75 -20.584 2.694 -20.495 597 H PHE 76 HN PHE 76 -20.901 -2.040 -20.164 598 HA PHE 76 HA PHE 76 -22.712 -3.448 -21.944 599 1HB PHE 76 HB2 PHE 76 -21.771 -5.683 -21.432 600 2HB PHE 76 HB1 PHE 76 -20.730 -4.692 -22.435 601 HD1 PHE 76 HD1 PHE 76 -18.710 -3.593 -21.408 602 HD2 PHE 76 HD2 PHE 76 -21.015 -6.564 -19.377 603 HE1 PHE 76 HE1 PHE 76 -16.811 -4.045 -19.903 604 HE2 PHE 76 HE2 PHE 76 -19.119 -7.006 -17.867 605 HZ PHE 76 HZ PHE 76 -17.011 -5.748 -18.132 606 H LYS 77 HN LYS 77 -24.397 -4.283 -20.956 607 HA LYS 77 HA LYS 77 -24.819 -3.714 -18.125 608 1HB LYS 77 HB2 LYS 77 -26.435 -3.557 -20.323 609 2HB LYS 77 HB1 LYS 77 -26.906 -5.130 -19.697 610 1HG LYS 77 HG2 LYS 77 -26.797 -2.673 -17.956 611 2HG LYS 77 HG1 LYS 77 -28.225 -3.091 -18.888 612 1HD LYS 77 HD2 LYS 77 -26.997 -5.147 -17.086 613 2HD LYS 77 HD1 LYS 77 -27.991 -3.875 -16.391 614 1HE LYS 77 HE2 LYS 77 -28.979 -5.520 -18.715 615 2HE LYS 77 HE1 LYS 77 -29.132 -6.103 -17.061 616 1HZ LYS 77 HZ1 LYS 77 -30.006 -3.431 -17.203 617 2HZ LYS 77 HZ3 LYS 77 -30.802 -4.348 -18.398 618 3HZ LYS 77 HZ2 LYS 77 -30.878 -4.825 -16.757 619 H LEU 78 HN LEU 78 -24.331 -5.210 -16.612 620 HA LEU 78 HA LEU 78 -24.377 -8.078 -17.380 621 1HB LEU 78 HB2 LEU 78 -22.168 -6.943 -16.710 622 2HB LEU 78 HB1 LEU 78 -22.806 -6.899 -15.084 623 HG LEU 78 HG LEU 78 -21.283 -8.888 -16.010 624 1HD1 LEU 78 HD22 LEU 78 -22.174 -8.532 -13.715 625 2HD1 LEU 78 HD21 LEU 78 -23.610 -9.439 -14.192 626 3HD1 LEU 78 HD23 LEU 78 -22.032 -10.225 -14.194 627 1HD2 LEU 78 HD12 LEU 78 -22.959 -9.495 -17.781 628 2HD2 LEU 78 HD11 LEU 78 -22.488 -10.813 -16.714 629 3HD2 LEU 78 HD13 LEU 78 -24.039 -10.012 -16.480 630 H ARG 79 HN ARG 79 -26.025 -9.161 -16.572 631 HA ARG 79 HA ARG 79 -27.344 -8.277 -14.069 632 1HB ARG 79 HB2 ARG 79 -28.658 -8.585 -16.265 633 2HB ARG 79 HB1 ARG 79 -28.398 -10.311 -16.037 634 1HG ARG 79 HG2 ARG 79 -29.677 -10.367 -14.065 635 2HG ARG 79 HG1 ARG 79 -29.589 -8.618 -13.852 636 1HD ARG 79 HD2 ARG 79 -31.064 -8.259 -15.740 637 2HD ARG 79 HD1 ARG 79 -31.042 -9.978 -16.136 638 HE ARG 79 HE ARG 79 -32.046 -10.201 -13.727 639 1HH1 ARG 79 HH21 ARG 79 -32.378 -7.013 -14.891 640 2HH1 ARG 79 HH22 ARG 79 -34.115 -6.992 -14.838 641 1HH2 ARG 79 HH11 ARG 79 -34.452 -10.413 -14.167 642 2HH2 ARG 79 HH12 ARG 79 -35.287 -8.898 -14.421 643 H LEU 80 HN LEU 80 -26.256 -9.219 -12.451 644 HA LEU 80 HA LEU 80 -24.926 -11.702 -12.527 645 1HB LEU 80 HB2 LEU 80 -25.799 -9.928 -10.255 646 2HB LEU 80 HB1 LEU 80 -24.820 -11.370 -10.028 647 HG LEU 80 HG LEU 80 -23.350 -10.245 -11.904 648 1HD1 LEU 80 HD22 LEU 80 -24.850 -7.945 -10.735 649 2HD1 LEU 80 HD21 LEU 80 -23.265 -7.783 -11.483 650 3HD1 LEU 80 HD23 LEU 80 -24.619 -8.368 -12.430 651 1HD2 LEU 80 HD13 LEU 80 -23.375 -9.523 -8.990 652 2HD2 LEU 80 HD12 LEU 80 -22.443 -10.796 -9.784 653 3HD2 LEU 80 HD11 LEU 80 -22.053 -9.100 -10.081 654 H SER 81 HN SER 81 -25.344 -13.327 -10.701 655 HA SER 81 HA SER 81 -27.718 -14.777 -11.262 656 1HB SER 81 HB2 SER 81 -26.842 -16.094 -9.147 657 2HB SER 81 HB1 SER 81 -25.973 -16.158 -10.672 658 HG SER 81 HG SER 81 -25.183 -15.127 -8.267 659 H ASP 82 HN ASP 82 -26.806 -12.632 -8.626 660 HA ASP 82 HA ASP 82 -29.044 -13.262 -6.923 661 1HB ASP 82 HB2 ASP 82 -26.912 -11.128 -6.916 662 2HB ASP 82 HB1 ASP 82 -28.275 -11.037 -5.804 663 H GLY 83 HN GLY 83 -28.792 -11.529 -9.785 664 1HA GLY 83 HA2 GLY 83 -30.699 -10.607 -10.884 665 2HA GLY 83 HA1 GLY 83 -31.367 -10.157 -9.316 666 H ASN 84 HN ASN 84 -28.294 -9.364 -8.851 667 HA ASN 84 HA ASN 84 -28.581 -6.586 -8.944 668 1HB ASN 84 HB2 ASN 84 -26.047 -8.242 -9.043 669 2HB ASN 84 HB1 ASN 84 -26.112 -6.515 -8.713 670 1HD2 ASN 84 HD22 ASN 84 -26.163 -7.376 -5.326 671 2HD2 ASN 84 HD21 ASN 84 -25.294 -6.670 -6.657 672 H GLU 85 HN GLU 85 -28.279 -5.061 -10.467 673 HA GLU 85 HA GLU 85 -27.316 -5.881 -13.158 674 1HB GLU 85 HB2 GLU 85 -29.585 -4.140 -12.259 675 2HB GLU 85 HB1 GLU 85 -28.834 -3.858 -13.831 676 1HG GLU 85 HG2 GLU 85 -29.241 -6.303 -14.337 677 2HG GLU 85 HG1 GLU 85 -30.193 -6.377 -12.855 678 H TYR 86 HN TYR 86 -25.400 -5.011 -13.587 679 HA TYR 86 HA TYR 86 -24.811 -2.243 -12.686 680 1HB TYR 86 HB2 TYR 86 -22.710 -4.371 -13.069 681 2HB TYR 86 HB1 TYR 86 -22.529 -2.796 -12.314 682 HD1 TYR 86 HD1 TYR 86 -24.691 -2.727 -10.355 683 HD2 TYR 86 HD2 TYR 86 -22.154 -5.940 -11.524 684 HE1 TYR 86 HE1 TYR 86 -24.956 -3.728 -8.141 685 HE2 TYR 86 HE2 TYR 86 -22.430 -6.967 -9.307 686 HH TYR 86 HH TYR 86 -23.781 -5.252 -6.670 687 H LEU 87 HN LEU 87 -23.360 -1.062 -13.976 688 HA LEU 87 HA LEU 87 -23.288 -1.827 -16.839 689 1HB LEU 87 HB2 LEU 87 -23.025 0.959 -15.666 690 2HB LEU 87 HB1 LEU 87 -23.146 0.533 -17.368 691 HG LEU 87 HG LEU 87 -25.283 0.303 -15.257 692 1HD1 LEU 87 HD13 LEU 87 -24.816 2.546 -16.276 693 2HD1 LEU 87 HD12 LEU 87 -25.251 1.866 -17.845 694 3HD1 LEU 87 HD11 LEU 87 -26.452 1.953 -16.560 695 1HD2 LEU 87 HD22 LEU 87 -25.140 -0.841 -18.031 696 2HD2 LEU 87 HD21 LEU 87 -25.694 -1.596 -16.536 697 3HD2 LEU 87 HD23 LEU 87 -26.689 -0.375 -17.325 698 H PHE 88 HN PHE 88 -21.310 -2.552 -17.370 699 HA PHE 88 HA PHE 88 -18.974 -1.619 -15.825 700 1HB PHE 88 HB2 PHE 88 -19.552 -4.111 -17.392 701 2HB PHE 88 HB1 PHE 88 -17.897 -3.645 -17.019 702 HD1 PHE 88 HD1 PHE 88 -17.348 -3.175 -14.538 703 HD2 PHE 88 HD2 PHE 88 -20.781 -5.345 -15.845 704 HE1 PHE 88 HE1 PHE 88 -17.545 -4.192 -12.307 705 HE2 PHE 88 HE2 PHE 88 -20.981 -6.374 -13.620 706 HZ PHE 88 HZ PHE 88 -19.369 -5.797 -11.847 707 H GLN 89 HN GLN 89 -17.608 -0.228 -16.767 708 HA GLN 89 HA GLN 89 -17.726 0.116 -19.705 709 1HB GLN 89 HB2 GLN 89 -18.103 2.038 -17.900 710 2HB GLN 89 HB1 GLN 89 -16.349 2.108 -17.956 711 1HG GLN 89 HG2 GLN 89 -17.304 1.967 -20.643 712 2HG GLN 89 HG1 GLN 89 -18.260 3.183 -19.805 713 1HE2 GLN 89 HE22 GLN 89 -15.485 5.367 -19.235 714 2HE2 GLN 89 HE21 GLN 89 -16.984 4.815 -18.543 715 H ALA 90 HN ALA 90 -16.074 -0.478 -20.895 716 HA ALA 90 HA ALA 90 -13.510 -1.242 -19.626 717 1HB ALA 90 HB2 ALA 90 -14.826 -2.005 -22.244 718 2HB ALA 90 HB1 ALA 90 -13.133 -2.360 -21.896 719 3HB ALA 90 HB3 ALA 90 -14.409 -3.058 -20.892 720 H LYS 91 HN LYS 91 -11.529 -0.647 -20.795 721 HA LYS 91 HA LYS 91 -11.560 2.128 -21.570 722 1HB LYS 91 HB2 LYS 91 -9.356 0.062 -21.565 723 2HB LYS 91 HB1 LYS 91 -9.113 1.765 -21.937 724 1HG LYS 91 HG2 LYS 91 -9.093 2.329 -19.769 725 2HG LYS 91 HG1 LYS 91 -10.588 1.456 -19.458 726 1HD LYS 91 HD2 LYS 91 -8.360 -0.375 -19.843 727 2HD LYS 91 HD1 LYS 91 -8.032 0.776 -18.552 728 1HE LYS 91 HE2 LYS 91 -9.897 0.085 -17.294 729 2HE LYS 91 HE1 LYS 91 -10.654 -0.700 -18.677 730 1HZ LYS 91 HZ2 LYS 91 -8.052 -1.713 -17.839 731 2HZ LYS 91 HZ1 LYS 91 -9.380 -2.037 -16.817 732 3HZ LYS 91 HZ3 LYS 91 -9.414 -2.546 -18.435 733 H ASP 92 HN ASP 92 -10.806 -0.903 -23.272 734 HA ASP 92 HA ASP 92 -11.245 0.475 -25.872 735 1HB ASP 92 HB2 ASP 92 -8.849 -0.226 -25.301 736 2HB ASP 92 HB1 ASP 92 -9.404 -1.891 -25.441 737 H ASP 93 HN ASP 93 -12.024 -0.927 -27.621 738 HA ASP 93 HA ASP 93 -14.257 -2.504 -26.827 739 1HB ASP 93 HB2 ASP 93 -14.845 -2.589 -29.053 740 2HB ASP 93 HB1 ASP 93 -13.832 -1.157 -29.040 741 H GLU 94 HN GLU 94 -10.946 -3.315 -27.675 742 HA GLU 94 HA GLU 94 -11.269 -6.122 -28.064 743 1HB GLU 94 HB2 GLU 94 -8.883 -4.533 -27.084 744 2HB GLU 94 HB1 GLU 94 -8.834 -6.231 -27.548 745 1HG GLU 94 HG2 GLU 94 -10.062 -4.557 -29.614 746 2HG GLU 94 HG1 GLU 94 -8.423 -4.040 -29.227 747 H GLU 95 HN GLU 95 -10.666 -4.116 -25.234 748 HA GLU 95 HA GLU 95 -10.374 -6.224 -23.331 749 1HB GLU 95 HB2 GLU 95 -9.757 -3.655 -23.220 750 2HB GLU 95 HB1 GLU 95 -11.389 -3.506 -22.577 751 1HG GLU 95 HG2 GLU 95 -10.616 -5.483 -21.014 752 2HG GLU 95 HG1 GLU 95 -9.003 -4.913 -21.429 753 H MET 96 HN MET 96 -13.064 -4.128 -24.312 754 HA MET 96 HA MET 96 -15.076 -5.004 -22.579 755 1HB MET 96 HB2 MET 96 -15.185 -3.053 -24.162 756 2HB MET 96 HB1 MET 96 -15.445 -4.193 -25.473 757 1HG MET 96 HG2 MET 96 -17.398 -5.020 -23.832 758 2HG MET 96 HG1 MET 96 -17.285 -3.353 -23.289 759 1HE MET 96 HE1 MET 96 -17.098 -5.512 -26.347 760 2HE MET 96 HE3 MET 96 -18.863 -5.581 -26.394 761 3HE MET 96 HE2 MET 96 -17.983 -4.660 -27.611 762 H ASN 97 HN ASN 97 -14.148 -6.265 -25.773 763 HA ASN 97 HA ASN 97 -16.106 -8.285 -26.012 764 1HB ASN 97 HB2 ASN 97 -14.619 -7.414 -27.846 765 2HB ASN 97 HB1 ASN 97 -13.289 -8.320 -27.134 766 1HD2 ASN 97 HD22 ASN 97 -14.156 -10.946 -29.286 767 2HD2 ASN 97 HD21 ASN 97 -12.987 -9.741 -28.820 768 H THR 98 HN THR 98 -12.734 -8.473 -24.873 769 HA THR 98 HA THR 98 -12.673 -11.200 -24.210 770 HB THR 98 HB THR 98 -11.130 -9.033 -22.780 771 HG1 THR 98 HG1 THR 98 -10.719 -8.571 -24.873 772 1HG2 THR 98 HG22 THR 98 -10.606 -11.946 -23.382 773 2HG2 THR 98 HG21 THR 98 -9.346 -10.831 -22.848 774 3HG2 THR 98 HG23 THR 98 -10.725 -11.172 -21.801 775 H TRP 99 HN TRP 99 -13.655 -8.394 -22.260 776 HA TRP 99 HA TRP 99 -13.967 -9.734 -19.779 777 1HB TRP 99 HB2 TRP 99 -14.981 -7.158 -20.938 778 2HB TRP 99 HB1 TRP 99 -15.693 -7.749 -19.443 779 HD1 TRP 99 HD1 TRP 99 -13.059 -5.468 -20.477 780 HE1 TRP 99 HE1 TRP 99 -11.308 -5.165 -18.641 781 HE3 TRP 99 HE3 TRP 99 -14.264 -9.432 -17.457 782 HZ2 TRP 99 HZ2 TRP 99 -10.525 -6.395 -16.249 783 HZ3 TRP 99 HZ3 TRP 99 -12.959 -9.803 -15.403 784 HH2 TRP 99 HH2 TRP 99 -11.109 -8.304 -14.800 785 H ILE 100 HN ILE 100 -16.417 -8.796 -22.202 786 HA ILE 100 HA ILE 100 -18.642 -10.003 -20.996 787 HB ILE 100 HB ILE 100 -18.016 -9.366 -23.877 788 1HG1 ILE 100 HG12 ILE 100 -19.849 -8.019 -21.886 789 2HG1 ILE 100 HG11 ILE 100 -18.214 -7.489 -22.256 790 1HG2 ILE 100 HG23 ILE 100 -20.498 -10.551 -22.673 791 2HG2 ILE 100 HG22 ILE 100 -20.605 -9.496 -24.078 792 3HG2 ILE 100 HG21 ILE 100 -19.672 -10.988 -24.169 793 1HD1 ILE 100 HD13 ILE 100 -19.040 -7.416 -24.721 794 2HD1 ILE 100 HD12 ILE 100 -20.654 -7.433 -24.007 795 3HD1 ILE 100 HD11 ILE 100 -19.533 -6.127 -23.622 796 H GLN 101 HN GLN 101 -16.370 -11.335 -23.408 797 HA GLN 101 HA GLN 101 -17.625 -13.812 -23.836 798 1HB GLN 101 HB2 GLN 101 -14.789 -12.860 -24.062 799 2HB GLN 101 HB1 GLN 101 -15.178 -14.561 -24.316 800 1HG GLN 101 HG2 GLN 101 -16.972 -13.694 -25.967 801 2HG GLN 101 HG1 GLN 101 -16.098 -12.166 -25.898 802 1HE2 GLN 101 HE22 GLN 101 -14.347 -15.452 -27.614 803 2HE2 GLN 101 HE21 GLN 101 -15.668 -15.616 -26.494 804 H ALA 102 HN ALA 102 -15.152 -12.926 -21.421 805 HA ALA 102 HA ALA 102 -14.857 -15.513 -20.286 806 1HB ALA 102 HB2 ALA 102 -13.223 -13.675 -20.006 807 2HB ALA 102 HB1 ALA 102 -14.370 -12.834 -18.965 808 3HB ALA 102 HB3 ALA 102 -13.705 -14.391 -18.470 809 H ILE 103 HN ILE 103 -16.984 -12.797 -19.481 810 HA ILE 103 HA ILE 103 -18.072 -13.919 -17.082 811 HB ILE 103 HB ILE 103 -18.990 -11.721 -18.935 812 1HG1 ILE 103 HG12 ILE 103 -17.992 -11.418 -16.115 813 2HG1 ILE 103 HG11 ILE 103 -16.854 -11.571 -17.452 814 1HG2 ILE 103 HG22 ILE 103 -20.300 -12.851 -16.503 815 2HG2 ILE 103 HG21 ILE 103 -20.356 -11.107 -16.766 816 3HG2 ILE 103 HG23 ILE 103 -21.024 -12.205 -17.976 817 1HD1 ILE 103 HD12 ILE 103 -18.095 -9.652 -18.569 818 2HD1 ILE 103 HD11 ILE 103 -18.915 -9.414 -17.024 819 3HD1 ILE 103 HD13 ILE 103 -17.160 -9.239 -17.125 820 H SER 104 HN SER 104 -19.243 -13.771 -20.460 821 HA SER 104 HA SER 104 -21.700 -15.128 -20.036 822 1HB SER 104 HB2 SER 104 -20.047 -14.967 -22.563 823 2HB SER 104 HB1 SER 104 -21.756 -15.392 -22.461 824 HG SER 104 HG SER 104 -22.150 -13.285 -21.590 825 H SER 105 HN SER 105 -18.435 -16.308 -20.580 826 HA SER 105 HA SER 105 -19.248 -19.046 -21.123 827 1HB SER 105 HB2 SER 105 -16.491 -17.943 -20.527 828 2HB SER 105 HB1 SER 105 -16.867 -19.525 -21.210 829 HG SER 105 HG SER 105 -17.194 -16.964 -22.392 830 H ALA 106 HN ALA 106 -19.018 -17.215 -18.310 831 HA ALA 106 HA ALA 106 -17.924 -19.176 -16.514 832 1HB ALA 106 HB1 ALA 106 -18.094 -16.595 -16.211 833 2HB ALA 106 HB3 ALA 106 -19.738 -16.931 -15.661 834 3HB ALA 106 HB2 ALA 106 -18.359 -17.633 -14.810 No H/Q in entry = 834 Start of MODEL 46 1 1H MET 1 HT1 MET 1 -9.682 -11.167 -17.852 2 2H MET 1 HT3 MET 1 -8.420 -12.273 -18.146 3 3H MET 1 HT2 MET 1 -10.006 -12.637 -18.658 4 HA MET 1 HA MET 1 -10.708 -13.261 -16.644 5 1HB MET 1 HB2 MET 1 -7.737 -13.698 -16.687 6 2HB MET 1 HB1 MET 1 -8.648 -14.136 -15.246 7 1HG MET 1 HG2 MET 1 -9.326 -15.108 -18.026 8 2HG MET 1 HG1 MET 1 -8.334 -16.010 -16.886 9 1HE MET 1 HE1 MET 1 -10.683 -17.162 -18.309 10 2HE MET 1 HE3 MET 1 -12.165 -17.408 -17.378 11 3HE MET 1 HE2 MET 1 -11.904 -15.894 -18.243 12 H GLU 2 HN GLU 2 -7.948 -11.065 -16.159 13 HA GLU 2 HA GLU 2 -9.379 -9.819 -13.900 14 1HB GLU 2 HB2 GLU 2 -7.918 -10.708 -12.482 15 2HB GLU 2 HB1 GLU 2 -6.928 -11.356 -13.767 16 1HG GLU 2 HG2 GLU 2 -6.746 -8.475 -12.946 17 2HG GLU 2 HG1 GLU 2 -5.842 -9.729 -12.116 18 H GLY 3 HN GLY 3 -8.907 -7.628 -13.564 19 1HA GLY 3 HA2 GLY 3 -7.075 -5.955 -14.635 20 2HA GLY 3 HA1 GLY 3 -8.205 -6.165 -15.973 21 H PHE 4 HN PHE 4 -7.998 -3.673 -15.164 22 HA PHE 4 HA PHE 4 -9.825 -2.997 -13.017 23 1HB PHE 4 HB2 PHE 4 -8.138 -1.473 -14.944 24 2HB PHE 4 HB1 PHE 4 -9.478 -0.642 -14.172 25 HD1 PHE 4 HD1 PHE 4 -9.622 -0.873 -11.562 26 HD2 PHE 4 HD2 PHE 4 -6.093 -1.566 -13.870 27 HE1 PHE 4 HE1 PHE 4 -8.241 -0.538 -9.556 28 HE2 PHE 4 HE2 PHE 4 -4.715 -1.223 -11.862 29 HZ PHE 4 HZ PHE 4 -5.831 -0.658 -9.681 30 H LEU 5 HN LEU 5 -11.808 -2.021 -13.219 31 HA LEU 5 HA LEU 5 -13.100 -1.747 -15.829 32 1HB LEU 5 HB2 LEU 5 -13.615 -3.963 -13.945 33 2HB LEU 5 HB1 LEU 5 -15.057 -3.089 -14.438 34 HG LEU 5 HG LEU 5 -13.049 -4.331 -16.315 35 1HD1 LEU 5 HD11 LEU 5 -15.585 -5.303 -15.102 36 2HD1 LEU 5 HD13 LEU 5 -15.267 -5.712 -16.790 37 3HD1 LEU 5 HD12 LEU 5 -14.123 -6.191 -15.538 38 1HD2 LEU 5 HD21 LEU 5 -15.394 -2.566 -16.713 39 2HD2 LEU 5 HD23 LEU 5 -13.926 -2.741 -17.677 40 3HD2 LEU 5 HD22 LEU 5 -15.228 -3.926 -17.824 41 H ASN 6 HN ASN 6 -14.835 -0.331 -15.752 42 HA ASN 6 HA ASN 6 -15.116 1.239 -13.277 43 1HB ASN 6 HB2 ASN 6 -16.343 1.793 -15.976 44 2HB ASN 6 HB1 ASN 6 -16.254 2.889 -14.617 45 1HD2 ASN 6 HD22 ASN 6 -12.935 3.887 -15.190 46 2HD2 ASN 6 HD21 ASN 6 -14.292 3.896 -14.104 47 H ARG 7 HN ARG 7 -16.646 0.606 -11.875 48 HA ARG 7 HA ARG 7 -18.933 -0.946 -12.922 49 1HB ARG 7 HB2 ARG 7 -17.391 -1.911 -11.125 50 2HB ARG 7 HB1 ARG 7 -18.122 -0.745 -10.022 51 1HG ARG 7 HG2 ARG 7 -20.346 -1.689 -10.485 52 2HG ARG 7 HG1 ARG 7 -19.639 -2.809 -11.646 53 1HD ARG 7 HD2 ARG 7 -19.967 -4.056 -9.648 54 2HD ARG 7 HD1 ARG 7 -18.237 -3.716 -9.734 55 HE ARG 7 HE ARG 7 -18.456 -2.139 -7.961 56 1HH1 ARG 7 HH21 ARG 7 -20.996 -0.792 -8.045 57 2HH1 ARG 7 HH22 ARG 7 -21.986 -1.641 -6.893 58 1HH2 ARG 7 HH11 ARG 7 -19.977 -4.486 -6.794 59 2HH2 ARG 7 HH12 ARG 7 -21.441 -3.746 -6.217 60 H LYS 8 HN LYS 8 -20.900 -0.167 -12.872 61 HA LYS 8 HA LYS 8 -21.607 2.078 -11.096 62 1HB LYS 8 HB2 LYS 8 -21.113 3.029 -13.300 63 2HB LYS 8 HB1 LYS 8 -22.231 1.912 -14.056 64 1HG LYS 8 HG2 LYS 8 -23.538 3.356 -11.902 65 2HG LYS 8 HG1 LYS 8 -22.790 4.480 -13.030 66 1HD LYS 8 HD2 LYS 8 -24.243 3.993 -14.699 67 2HD LYS 8 HD1 LYS 8 -24.271 2.277 -14.316 68 1HE LYS 8 HE2 LYS 8 -26.475 3.291 -13.950 69 2HE LYS 8 HE1 LYS 8 -25.788 2.690 -12.445 70 1HZ LYS 8 HZ3 LYS 8 -25.075 5.410 -12.970 71 2HZ LYS 8 HZ2 LYS 8 -26.764 5.192 -12.886 72 3HZ LYS 8 HZ1 LYS 8 -25.777 4.717 -11.579 73 H HIS 9 HN HIS 9 -22.886 0.913 -9.766 74 HA HIS 9 HA HIS 9 -24.668 -1.143 -10.652 75 1HB HIS 9 HB2 HIS 9 -25.539 -1.099 -8.349 76 2HB HIS 9 HB1 HIS 9 -23.795 -1.239 -8.414 77 HD1 HIS 9 HD1 HIS 9 -24.963 -0.370 -5.834 78 HD2 HIS 9 HD2 HIS 9 -23.941 2.376 -8.762 79 HE1 HIS 9 HE1 HIS 9 -24.593 1.788 -4.608 80 H GLU 10 HN GLU 10 -26.503 -0.871 -11.679 81 HA GLU 10 HA GLU 10 -27.857 1.741 -11.645 82 1HB GLU 10 HB2 GLU 10 -27.206 0.611 -13.798 83 2HB GLU 10 HB1 GLU 10 -28.388 -0.641 -13.429 84 1HG GLU 10 HG2 GLU 10 -30.176 1.054 -13.389 85 2HG GLU 10 HG1 GLU 10 -28.996 2.313 -13.750 86 H TRP 11 HN TRP 11 -28.501 -1.705 -11.104 87 HA TRP 11 HA TRP 11 -30.851 -1.004 -9.471 88 1HB TRP 11 HB2 TRP 11 -31.551 -1.457 -11.850 89 2HB TRP 11 HB1 TRP 11 -30.917 -3.085 -11.675 90 HD1 TRP 11 HD1 TRP 11 -33.781 -0.837 -10.324 91 HE1 TRP 11 HE1 TRP 11 -35.646 -2.390 -9.516 92 HE3 TRP 11 HE3 TRP 11 -31.448 -5.374 -10.858 93 HZ2 TRP 11 HZ2 TRP 11 -36.100 -5.137 -9.137 94 HZ3 TRP 11 HZ3 TRP 11 -32.674 -7.430 -10.253 95 HH2 TRP 11 HH2 TRP 11 -34.971 -7.313 -9.405 96 H GLU 12 HN GLU 12 -30.476 -1.908 -7.563 97 HA GLU 12 HA GLU 12 -30.078 -4.697 -7.166 98 1HB GLU 12 HB2 GLU 12 -27.857 -4.551 -6.028 99 2HB GLU 12 HB1 GLU 12 -27.768 -4.305 -7.766 100 1HG GLU 12 HG2 GLU 12 -27.253 -2.056 -7.561 101 2HG GLU 12 HG1 GLU 12 -28.031 -1.902 -5.989 102 H ALA 13 HN ALA 13 -31.973 -2.882 -6.282 103 HA ALA 13 HA ALA 13 -31.662 -3.102 -3.385 104 1HB ALA 13 HB1 ALA 13 -30.727 -0.863 -3.964 105 2HB ALA 13 HB3 ALA 13 -32.285 -0.430 -4.665 106 3HB ALA 13 HB2 ALA 13 -32.159 -0.777 -2.939 107 H HIS 14 HN HIS 14 -33.243 -4.722 -4.399 108 HA HIS 14 HA HIS 14 -35.354 -5.571 -4.427 109 1HB HIS 14 HB2 HIS 14 -35.957 -3.012 -2.936 110 2HB HIS 14 HB1 HIS 14 -37.192 -4.207 -3.297 111 HD1 HIS 14 HD1 HIS 14 -37.389 -4.419 -0.663 112 HD2 HIS 14 HD2 HIS 14 -33.822 -5.786 -2.265 113 HE1 HIS 14 HE1 HIS 14 -36.381 -5.854 1.125 114 H ASN 15 HN ASN 15 -36.363 -2.198 -4.837 115 HA ASN 15 HA ASN 15 -36.990 -2.693 -7.676 116 1HB ASN 15 HB2 ASN 15 -39.257 -1.846 -7.434 117 2HB ASN 15 HB1 ASN 15 -39.030 -3.228 -6.366 118 1HD2 ASN 15 HD22 ASN 15 -40.776 -0.446 -4.542 119 2HD2 ASN 15 HD21 ASN 15 -41.054 -1.277 -6.047 120 H LYS 16 HN LYS 16 -35.136 -0.966 -5.902 121 HA LYS 16 HA LYS 16 -35.803 1.681 -7.074 122 1HB LYS 16 HB2 LYS 16 -34.073 1.103 -4.653 123 2HB LYS 16 HB1 LYS 16 -34.551 2.685 -5.260 124 1HG LYS 16 HG2 LYS 16 -36.813 2.364 -4.634 125 2HG LYS 16 HG1 LYS 16 -36.585 0.638 -4.386 126 1HD LYS 16 HD2 LYS 16 -36.702 1.671 -2.224 127 2HD LYS 16 HD1 LYS 16 -35.037 1.166 -2.492 128 1HE LYS 16 HE2 LYS 16 -35.181 3.420 -1.487 129 2HE LYS 16 HE1 LYS 16 -34.398 3.447 -3.060 130 1HZ LYS 16 HZ1 LYS 16 -37.285 3.919 -2.947 131 2HZ LYS 16 HZ3 LYS 16 -36.250 5.159 -2.419 132 3HZ LYS 16 HZ2 LYS 16 -36.115 4.559 -4.012 133 H LYS 17 HN LYS 17 -34.096 2.922 -7.942 134 HA LYS 17 HA LYS 17 -31.975 1.361 -9.189 135 1HB LYS 17 HB2 LYS 17 -32.685 4.295 -9.437 136 2HB LYS 17 HB1 LYS 17 -31.462 3.461 -10.389 137 1HG LYS 17 HG2 LYS 17 -34.255 2.380 -10.366 138 2HG LYS 17 HG1 LYS 17 -33.907 3.813 -11.325 139 1HD LYS 17 HD2 LYS 17 -31.981 2.500 -12.351 140 2HD LYS 17 HD1 LYS 17 -32.665 1.070 -11.583 141 1HE LYS 17 HE2 LYS 17 -34.344 2.833 -13.349 142 2HE LYS 17 HE1 LYS 17 -33.314 1.585 -14.040 143 1HZ LYS 17 HZ1 LYS 17 -35.172 0.885 -11.864 144 2HZ LYS 17 HZ3 LYS 17 -35.761 1.053 -13.451 145 3HZ LYS 17 HZ2 LYS 17 -34.542 -0.093 -13.117 146 H ALA 18 HN ALA 18 -30.009 1.180 -8.332 147 HA ALA 18 HA ALA 18 -29.256 2.535 -5.911 148 1HB ALA 18 HB3 ALA 18 -28.597 0.201 -6.445 149 2HB ALA 18 HB2 ALA 18 -27.571 0.809 -7.747 150 3HB ALA 18 HB1 ALA 18 -27.213 1.231 -6.070 151 H SER 19 HN SER 19 -28.000 4.294 -5.651 152 HA SER 19 HA SER 19 -26.329 5.319 -7.823 153 1HB SER 19 HB2 SER 19 -28.522 7.053 -6.651 154 2HB SER 19 HB1 SER 19 -27.387 7.488 -7.929 155 HG SER 19 HG SER 19 -28.651 5.230 -8.624 156 H SER 20 HN SER 20 -25.456 4.255 -5.459 157 HA SER 20 HA SER 20 -25.000 6.353 -3.497 158 1HB SER 20 HB2 SER 20 -23.631 3.661 -3.614 159 2HB SER 20 HB1 SER 20 -23.867 4.704 -2.213 160 HG SER 20 HG SER 20 -25.371 2.930 -2.292 161 H ARG 21 HN ARG 21 -22.962 4.414 -5.692 162 HA ARG 21 HA ARG 21 -21.060 6.670 -5.899 163 1HB ARG 21 HB2 ARG 21 -20.361 3.736 -5.573 164 2HB ARG 21 HB1 ARG 21 -19.211 5.016 -5.952 165 1HG ARG 21 HG2 ARG 21 -20.501 5.989 -3.702 166 2HG ARG 21 HG1 ARG 21 -20.381 4.264 -3.381 167 1HD ARG 21 HD2 ARG 21 -18.380 5.174 -2.512 168 2HD ARG 21 HD1 ARG 21 -17.915 4.481 -4.067 169 HE ARG 21 HE ARG 21 -18.444 7.008 -4.803 170 1HH1 ARG 21 HH11 ARG 21 -18.016 7.595 -1.738 171 2HH1 ARG 21 HH12 ARG 21 -16.356 8.149 -1.760 172 1HH2 ARG 21 HH21 ARG 21 -15.719 6.891 -4.993 173 2HH2 ARG 21 HH22 ARG 21 -15.039 7.729 -3.625 174 H SER 22 HN SER 22 -22.101 7.200 -7.839 175 HA SER 22 HA SER 22 -22.491 5.349 -9.985 176 1HB SER 22 HB2 SER 22 -22.372 8.372 -10.052 177 2HB SER 22 HB1 SER 22 -23.038 7.325 -11.306 178 HG SER 22 HG SER 22 -24.771 7.953 -10.092 179 H TRP 23 HN TRP 23 -20.918 4.426 -11.057 180 HA TRP 23 HA TRP 23 -19.084 4.032 -12.313 181 1HB TRP 23 HB2 TRP 23 -19.135 7.040 -12.577 182 2HB TRP 23 HB1 TRP 23 -17.873 6.066 -13.318 183 HD1 TRP 23 HD1 TRP 23 -21.103 7.503 -14.257 184 HE1 TRP 23 HE1 TRP 23 -22.174 6.177 -16.170 185 HE3 TRP 23 HE3 TRP 23 -18.189 3.300 -14.158 186 HZ2 TRP 23 HZ2 TRP 23 -21.832 3.704 -17.493 187 HZ3 TRP 23 HZ3 TRP 23 -18.593 1.507 -15.750 188 HH2 TRP 23 HH2 TRP 23 -20.401 1.688 -17.421 189 H HIS 24 HN HIS 24 -18.116 3.042 -10.571 190 HA HIS 24 HA HIS 24 -15.945 4.539 -9.206 191 1HB HIS 24 HB2 HIS 24 -17.772 3.540 -7.776 192 2HB HIS 24 HB1 HIS 24 -17.301 1.954 -8.377 193 HD1 HIS 24 HD1 HIS 24 -15.915 4.786 -6.299 194 HD2 HIS 24 HD2 HIS 24 -15.213 0.783 -7.062 195 HE1 HIS 24 HE1 HIS 24 -14.227 4.090 -4.588 196 H ASN 25 HN ASN 25 -13.919 4.003 -9.863 197 HA ASN 25 HA ASN 25 -13.454 1.851 -11.733 198 1HB ASN 25 HB2 ASN 25 -12.183 4.066 -11.641 199 2HB ASN 25 HB1 ASN 25 -11.343 3.425 -10.231 200 1HD2 ASN 25 HD22 ASN 25 -8.943 2.160 -12.462 201 2HD2 ASN 25 HD21 ASN 25 -9.317 3.235 -11.142 202 H VAL 26 HN VAL 26 -13.312 -0.223 -11.144 203 HA VAL 26 HA VAL 26 -12.026 -0.925 -8.572 204 HB VAL 26 HB VAL 26 -14.607 -0.932 -8.640 205 1HG1 VAL 26 HG12 VAL 26 -14.638 -2.223 -10.847 206 2HG1 VAL 26 HG11 VAL 26 -14.257 -3.647 -9.877 207 3HG1 VAL 26 HG13 VAL 26 -15.748 -2.746 -9.584 208 1HG2 VAL 26 HG22 VAL 26 -13.035 -2.018 -6.951 209 2HG2 VAL 26 HG21 VAL 26 -14.705 -2.578 -7.008 210 3HG2 VAL 26 HG23 VAL 26 -13.424 -3.538 -7.763 211 H TYR 27 HN TYR 27 -11.125 -3.031 -8.492 212 HA TYR 27 HA TYR 27 -10.147 -4.005 -11.100 213 1HB TYR 27 HB2 TYR 27 -8.671 -3.387 -9.049 214 2HB TYR 27 HB1 TYR 27 -9.185 -4.930 -8.399 215 HD1 TYR 27 HD1 TYR 27 -7.227 -3.248 -10.966 216 HD2 TYR 27 HD2 TYR 27 -8.428 -7.031 -9.412 217 HE1 TYR 27 HE1 TYR 27 -5.434 -4.331 -12.244 218 HE2 TYR 27 HE2 TYR 27 -6.632 -8.129 -10.704 219 HH TYR 27 HH TYR 27 -5.260 -7.364 -13.020 220 H CYS 28 HN CYS 28 -11.439 -5.499 -11.967 221 HA CYS 28 HA CYS 28 -12.901 -7.403 -10.268 222 1HB CYS 28 HB2 CYS 28 -13.121 -6.936 -13.248 223 2HB CYS 28 HB1 CYS 28 -14.213 -7.876 -12.241 224 HG CYS 28 HG CYS 28 -13.935 -4.826 -11.727 225 H VAL 29 HN VAL 29 -12.438 -9.491 -10.153 226 HA VAL 29 HA VAL 29 -10.565 -10.740 -12.080 227 HB VAL 29 HB VAL 29 -10.551 -11.144 -9.075 228 1HG1 VAL 29 HG12 VAL 29 -8.776 -12.281 -11.241 229 2HG1 VAL 29 HG11 VAL 29 -8.507 -12.471 -9.509 230 3HG1 VAL 29 HG13 VAL 29 -9.938 -13.176 -10.261 231 1HG2 VAL 29 HG22 VAL 29 -8.980 -9.358 -10.848 232 2HG2 VAL 29 HG21 VAL 29 -9.425 -9.167 -9.150 233 3HG2 VAL 29 HG23 VAL 29 -8.085 -10.223 -9.599 234 H ILE 30 HN ILE 30 -11.678 -12.328 -13.073 235 HA ILE 30 HA ILE 30 -14.026 -13.520 -11.782 236 HB ILE 30 HB ILE 30 -13.013 -14.177 -14.539 237 1HG1 ILE 30 HG12 ILE 30 -14.831 -11.866 -13.808 238 2HG1 ILE 30 HG11 ILE 30 -13.167 -11.709 -14.358 239 1HG2 ILE 30 HG23 ILE 30 -15.667 -14.325 -13.134 240 2HG2 ILE 30 HG22 ILE 30 -15.535 -14.398 -14.891 241 3HG2 ILE 30 HG21 ILE 30 -14.751 -15.625 -13.890 242 1HD1 ILE 30 HD12 ILE 30 -15.283 -13.103 -15.995 243 2HD1 ILE 30 HD11 ILE 30 -14.949 -11.382 -16.136 244 3HD1 ILE 30 HD13 ILE 30 -13.690 -12.557 -16.521 245 H ASN 31 HN ASN 31 -14.238 -15.634 -11.258 246 HA ASN 31 HA ASN 31 -12.021 -17.521 -11.717 247 1HB ASN 31 HB2 ASN 31 -11.882 -16.369 -9.401 248 2HB ASN 31 HB1 ASN 31 -13.325 -17.290 -8.994 249 1HD2 ASN 31 HD22 ASN 31 -11.639 -20.410 -8.816 250 2HD2 ASN 31 HD21 ASN 31 -13.172 -19.613 -8.981 251 H ASN 32 HN ASN 32 -13.750 -18.006 -13.342 252 HA ASN 32 HA ASN 32 -15.302 -19.451 -14.165 253 1HB ASN 32 HB2 ASN 32 -14.144 -21.091 -12.640 254 2HB ASN 32 HB1 ASN 32 -15.361 -20.745 -11.422 255 1HD2 ASN 32 HD22 ASN 32 -16.896 -22.429 -14.832 256 2HD2 ASN 32 HD21 ASN 32 -15.846 -21.054 -14.941 257 H GLN 33 HN GLN 33 -17.222 -20.311 -11.558 258 HA GLN 33 HA GLN 33 -19.280 -18.369 -12.319 259 1HB GLN 33 HB2 GLN 33 -19.430 -20.660 -10.351 260 2HB GLN 33 HB1 GLN 33 -20.788 -19.749 -11.009 261 1HG GLN 33 HG2 GLN 33 -19.972 -20.526 -13.314 262 2HG GLN 33 HG1 GLN 33 -18.955 -21.673 -12.445 263 1HE2 GLN 33 HE22 GLN 33 -21.963 -23.253 -10.971 264 2HE2 GLN 33 HE21 GLN 33 -20.568 -22.416 -10.357 265 H GLU 34 HN GLU 34 -17.045 -17.250 -10.991 266 HA GLU 34 HA GLU 34 -18.336 -15.910 -8.787 267 1HB GLU 34 HB2 GLU 34 -16.837 -18.162 -8.146 268 2HB GLU 34 HB1 GLU 34 -15.684 -16.852 -7.937 269 1HG GLU 34 HG2 GLU 34 -16.593 -16.654 -5.887 270 2HG GLU 34 HG1 GLU 34 -17.882 -15.797 -6.725 271 H MET 35 HN MET 35 -17.096 -14.053 -8.073 272 HA MET 35 HA MET 35 -14.690 -13.303 -9.460 273 1HB MET 35 HB2 MET 35 -15.584 -11.282 -10.524 274 2HB MET 35 HB1 MET 35 -16.305 -12.733 -11.203 275 1HG MET 35 HG2 MET 35 -18.340 -12.391 -9.979 276 2HG MET 35 HG1 MET 35 -17.632 -11.063 -9.066 277 1HE MET 35 HE2 MET 35 -19.832 -9.738 -9.694 278 2HE MET 35 HE1 MET 35 -20.257 -9.223 -11.325 279 3HE MET 35 HE3 MET 35 -20.473 -10.912 -10.842 280 H GLY 36 HN GLY 36 -13.721 -11.423 -8.567 281 1HA GLY 36 HA2 GLY 36 -14.905 -10.485 -6.012 282 2HA GLY 36 HA1 GLY 36 -13.208 -10.921 -6.159 283 H PHE 37 HN PHE 37 -14.887 -8.359 -5.673 284 HA PHE 37 HA PHE 37 -13.706 -6.565 -7.702 285 1HB PHE 37 HB2 PHE 37 -15.784 -6.040 -5.554 286 2HB PHE 37 HB1 PHE 37 -15.214 -4.863 -6.728 287 HD1 PHE 37 HD1 PHE 37 -15.343 -5.817 -9.275 288 HD2 PHE 37 HD2 PHE 37 -17.807 -7.021 -5.998 289 HE1 PHE 37 HE1 PHE 37 -17.083 -6.571 -10.853 290 HE2 PHE 37 HE2 PHE 37 -19.543 -7.766 -7.575 291 HZ PHE 37 HZ PHE 37 -19.161 -7.528 -10.033 292 H TYR 38 HN TYR 38 -11.686 -5.997 -7.150 293 HA TYR 38 HA TYR 38 -11.083 -5.330 -4.316 294 1HB TYR 38 HB2 TYR 38 -9.199 -6.250 -6.495 295 2HB TYR 38 HB1 TYR 38 -8.767 -5.912 -4.824 296 HD1 TYR 38 HD1 TYR 38 -9.662 -7.369 -2.998 297 HD2 TYR 38 HD2 TYR 38 -10.137 -8.323 -7.125 298 HE1 TYR 38 HE1 TYR 38 -10.180 -9.702 -2.399 299 HE2 TYR 38 HE2 TYR 38 -10.650 -10.654 -6.534 300 HH TYR 38 HH TYR 38 -11.609 -11.667 -3.703 301 H LYS 39 HN LYS 39 -9.053 -3.823 -4.253 302 HA LYS 39 HA LYS 39 -9.809 -1.342 -5.543 303 1HB LYS 39 HB2 LYS 39 -9.035 -1.536 -3.166 304 2HB LYS 39 HB1 LYS 39 -7.424 -1.910 -3.773 305 1HG LYS 39 HG2 LYS 39 -7.167 0.249 -4.729 306 2HG LYS 39 HG1 LYS 39 -8.882 0.616 -4.530 307 1HD LYS 39 HD2 LYS 39 -8.678 0.817 -2.180 308 2HD LYS 39 HD1 LYS 39 -7.105 0.022 -2.165 309 1HE LYS 39 HE2 LYS 39 -6.014 1.913 -3.066 310 2HE LYS 39 HE1 LYS 39 -7.526 2.651 -3.583 311 1HZ LYS 39 HZ2 LYS 39 -7.180 2.135 -0.730 312 2HZ LYS 39 HZ1 LYS 39 -6.290 3.418 -1.411 313 3HZ LYS 39 HZ3 LYS 39 -7.992 3.411 -1.522 314 H ASP 40 HN ASP 40 -7.157 -3.663 -5.808 315 HA ASP 40 HA ASP 40 -6.536 -2.867 -8.486 316 1HB ASP 40 HB2 ASP 40 -4.130 -2.272 -8.023 317 2HB ASP 40 HB1 ASP 40 -5.299 -1.078 -7.495 318 H ALA 41 HN ALA 41 -4.196 -4.004 -8.994 319 HA ALA 41 HA ALA 41 -4.681 -6.769 -8.967 320 1HB ALA 41 HB3 ALA 41 -3.203 -5.542 -10.577 321 2HB ALA 41 HB2 ALA 41 -1.981 -5.450 -9.310 322 3HB ALA 41 HB1 ALA 41 -2.492 -7.023 -9.930 323 H LYS 42 HN LYS 42 -2.564 -4.822 -6.870 324 HA LYS 42 HA LYS 42 -1.420 -6.978 -5.417 325 1HB LYS 42 HB2 LYS 42 -1.796 -4.047 -4.804 326 2HB LYS 42 HB1 LYS 42 -1.043 -5.148 -3.649 327 1HG LYS 42 HG2 LYS 42 0.713 -5.693 -5.209 328 2HG LYS 42 HG1 LYS 42 -0.098 -4.822 -6.504 329 1HD LYS 42 HD2 LYS 42 1.749 -3.491 -5.642 330 2HD LYS 42 HD1 LYS 42 0.216 -2.704 -5.271 331 1HE LYS 42 HE2 LYS 42 1.772 -2.632 -3.359 332 2HE LYS 42 HE1 LYS 42 0.319 -3.546 -2.976 333 1HZ LYS 42 HZ3 LYS 42 2.348 -5.229 -4.044 334 2HZ LYS 42 HZ2 LYS 42 2.901 -4.386 -2.674 335 3HZ LYS 42 HZ1 LYS 42 1.496 -5.353 -2.566 336 H SER 43 HN SER 43 -4.327 -5.017 -4.894 337 HA SER 43 HA SER 43 -5.078 -6.129 -2.379 338 1HB SER 43 HB2 SER 43 -6.858 -4.901 -4.490 339 2HB SER 43 HB1 SER 43 -7.242 -5.106 -2.783 340 HG SER 43 HG SER 43 -5.251 -3.424 -3.944 341 H ALA 44 HN ALA 44 -5.710 -7.058 -5.718 342 HA ALA 44 HA ALA 44 -7.691 -9.020 -5.200 343 1HB ALA 44 HB3 ALA 44 -5.895 -8.448 -7.547 344 2HB ALA 44 HB2 ALA 44 -6.987 -9.833 -7.540 345 3HB ALA 44 HB1 ALA 44 -7.633 -8.198 -7.404 346 H ALA 45 HN ALA 45 -4.180 -9.203 -5.674 347 HA ALA 45 HA ALA 45 -4.001 -12.053 -5.423 348 1HB ALA 45 HB2 ALA 45 -1.945 -9.842 -5.270 349 2HB ALA 45 HB1 ALA 45 -1.533 -11.556 -5.155 350 3HB ALA 45 HB3 ALA 45 -2.278 -10.923 -6.623 351 H SER 46 HN SER 46 -3.346 -9.357 -3.188 352 HA SER 46 HA SER 46 -2.579 -11.020 -0.986 353 1HB SER 46 HB2 SER 46 -3.430 -8.120 -1.070 354 2HB SER 46 HB1 SER 46 -2.726 -8.934 0.327 355 HG SER 46 HG SER 46 -1.481 -8.614 -2.232 356 H GLY 47 HN GLY 47 -5.656 -9.874 -2.159 357 1HA GLY 47 HA2 GLY 47 -7.789 -10.596 -1.560 358 2HA GLY 47 HA1 GLY 47 -7.092 -11.489 -0.209 359 H ILE 48 HN ILE 48 -7.155 -8.067 -1.203 360 HA ILE 48 HA ILE 48 -7.965 -7.280 1.534 361 HB ILE 48 HB ILE 48 -6.601 -5.670 -0.632 362 1HG1 ILE 48 HG12 ILE 48 -5.460 -6.664 1.982 363 2HG1 ILE 48 HG11 ILE 48 -5.183 -7.448 0.429 364 1HG2 ILE 48 HG21 ILE 48 -7.750 -4.940 2.001 365 2HG2 ILE 48 HG23 ILE 48 -6.194 -4.225 1.582 366 3HG2 ILE 48 HG22 ILE 48 -7.588 -3.982 0.531 367 1HD1 ILE 48 HD11 ILE 48 -4.451 -4.978 -0.253 368 2HD1 ILE 48 HD13 ILE 48 -4.117 -4.875 1.477 369 3HD1 ILE 48 HD12 ILE 48 -3.327 -6.111 0.495 370 HA PRO 49 HA PRO 49 -11.873 -6.384 -0.592 371 1HB PRO 49 HB2 PRO 49 -13.282 -5.735 1.647 372 2HB PRO 49 HB1 PRO 49 -12.974 -7.399 1.126 373 1HG PRO 49 HG2 PRO 49 -11.604 -5.781 3.230 374 2HG PRO 49 HG1 PRO 49 -12.051 -7.493 3.240 375 1HD PRO 49 HD2 PRO 49 -9.520 -6.607 2.748 376 2HD PRO 49 HD1 PRO 49 -10.164 -8.126 2.092 377 H TYR 50 HN TYR 50 -12.587 -4.520 -1.452 378 HA TYR 50 HA TYR 50 -11.390 -2.010 -0.594 379 1HB TYR 50 HB2 TYR 50 -11.529 -2.819 -2.985 380 2HB TYR 50 HB1 TYR 50 -13.250 -2.513 -2.920 381 HD1 TYR 50 HD1 TYR 50 -11.718 -0.121 -0.953 382 HD2 TYR 50 HD2 TYR 50 -12.307 -1.087 -5.072 383 HE1 TYR 50 HE1 TYR 50 -11.317 2.220 -1.565 384 HE2 TYR 50 HE2 TYR 50 -11.884 1.250 -5.677 385 HH TYR 50 HH TYR 50 -10.914 3.640 -3.252 386 H HIS 51 HN HIS 51 -14.693 -3.255 -1.191 387 HA HIS 51 HA HIS 51 -15.713 -1.434 0.885 388 1HB HIS 51 HB2 HIS 51 -17.836 -1.201 -0.591 389 2HB HIS 51 HB1 HIS 51 -16.439 -0.203 -0.939 390 HD1 HIS 51 HD1 HIS 51 -18.745 -2.490 -2.513 391 HD2 HIS 51 HD2 HIS 51 -14.871 -1.230 -3.217 392 HE1 HIS 51 HE1 HIS 51 -18.278 -3.125 -4.893 393 H SER 52 HN SER 52 -18.383 -2.189 0.828 394 HA SER 52 HA SER 52 -18.358 -4.571 2.328 395 1HB SER 52 HB2 SER 52 -20.986 -4.350 1.657 396 2HB SER 52 HB1 SER 52 -20.205 -3.432 2.938 397 HG SER 52 HG SER 52 -21.368 -2.039 1.552 398 H GLU 53 HN GLU 53 -19.524 -4.023 -1.012 399 HA GLU 53 HA GLU 53 -19.949 -6.878 -1.427 400 1HB GLU 53 HB2 GLU 53 -20.182 -4.533 -3.330 401 2HB GLU 53 HB1 GLU 53 -20.616 -6.193 -3.713 402 1HG GLU 53 HG2 GLU 53 -21.888 -4.496 -1.548 403 2HG GLU 53 HG1 GLU 53 -22.597 -4.848 -3.121 404 H VAL 54 HN VAL 54 -18.174 -8.078 -1.697 405 HA VAL 54 HA VAL 54 -16.136 -7.169 -3.629 406 HB VAL 54 HB VAL 54 -15.692 -8.343 -0.896 407 1HG1 VAL 54 HG11 VAL 54 -13.761 -8.299 -3.224 408 2HG1 VAL 54 HG13 VAL 54 -13.257 -8.478 -1.545 409 3HG1 VAL 54 HG12 VAL 54 -14.276 -9.706 -2.293 410 1HG2 VAL 54 HG22 VAL 54 -15.836 -5.838 -1.383 411 2HG2 VAL 54 HG21 VAL 54 -14.438 -6.418 -0.479 412 3HG2 VAL 54 HG23 VAL 54 -14.281 -6.041 -2.192 413 HA PRO 55 HA PRO 55 -16.311 -11.881 -4.225 414 1HB PRO 55 HB2 PRO 55 -17.509 -13.519 -2.426 415 2HB PRO 55 HB1 PRO 55 -15.815 -13.024 -2.296 416 1HG PRO 55 HG2 PRO 55 -18.193 -12.034 -0.805 417 2HG PRO 55 HG1 PRO 55 -16.531 -12.276 -0.250 418 1HD PRO 55 HD2 PRO 55 -17.613 -9.828 -0.926 419 2HD PRO 55 HD1 PRO 55 -15.884 -10.217 -0.912 420 H VAL 56 HN VAL 56 -17.778 -11.999 -5.879 421 HA VAL 56 HA VAL 56 -20.661 -12.205 -5.222 422 HB VAL 56 HB VAL 56 -19.363 -10.531 -7.380 423 1HG1 VAL 56 HG12 VAL 56 -22.217 -11.438 -7.078 424 2HG1 VAL 56 HG11 VAL 56 -21.806 -9.940 -7.919 425 3HG1 VAL 56 HG13 VAL 56 -21.188 -11.481 -8.512 426 1HG2 VAL 56 HG21 VAL 56 -20.932 -9.947 -4.892 427 2HG2 VAL 56 HG23 VAL 56 -19.447 -9.197 -5.485 428 3HG2 VAL 56 HG22 VAL 56 -20.992 -8.822 -6.252 429 H SER 57 HN SER 57 -21.712 -13.814 -6.246 430 HA SER 57 HA SER 57 -20.234 -15.800 -7.682 431 1HB SER 57 HB2 SER 57 -23.153 -15.555 -7.038 432 2HB SER 57 HB1 SER 57 -22.354 -16.998 -7.619 433 HG SER 57 HG SER 57 -20.994 -16.867 -5.708 434 H LEU 58 HN LEU 58 -20.030 -16.011 -9.801 435 HA LEU 58 HA LEU 58 -21.661 -14.376 -11.636 436 1HB LEU 58 HB2 LEU 58 -19.065 -14.342 -11.620 437 2HB LEU 58 HB1 LEU 58 -19.176 -15.917 -12.392 438 HG LEU 58 HG LEU 58 -20.869 -14.606 -13.975 439 1HD1 LEU 58 HD13 LEU 58 -20.291 -12.523 -12.442 440 2HD1 LEU 58 HD12 LEU 58 -18.935 -12.382 -13.560 441 3HD1 LEU 58 HD11 LEU 58 -20.590 -12.345 -14.171 442 1HD2 LEU 58 HD23 LEU 58 -18.544 -15.742 -14.411 443 2HD2 LEU 58 HD22 LEU 58 -19.235 -14.640 -15.598 444 3HD2 LEU 58 HD21 LEU 58 -17.975 -14.073 -14.499 445 H LYS 59 HN LYS 59 -22.978 -16.491 -10.522 446 HA LYS 59 HA LYS 59 -22.875 -18.813 -12.282 447 1HB LYS 59 HB2 LYS 59 -23.552 -18.506 -9.650 448 2HB LYS 59 HB1 LYS 59 -25.148 -18.498 -10.390 449 1HG LYS 59 HG2 LYS 59 -23.248 -20.613 -11.272 450 2HG LYS 59 HG1 LYS 59 -23.902 -20.745 -9.644 451 1HD LYS 59 HD2 LYS 59 -26.182 -20.668 -10.520 452 2HD LYS 59 HD1 LYS 59 -25.561 -20.454 -12.156 453 1HE LYS 59 HE2 LYS 59 -24.411 -22.654 -11.977 454 2HE LYS 59 HE1 LYS 59 -25.145 -22.873 -10.394 455 1HZ LYS 59 HZ1 LYS 59 -26.978 -22.247 -12.555 456 2HZ LYS 59 HZ3 LYS 59 -26.209 -23.763 -12.644 457 3HZ LYS 59 HZ2 LYS 59 -27.132 -23.366 -11.268 458 H GLU 60 HN GLU 60 -23.791 -18.673 -14.241 459 HA GLU 60 HA GLU 60 -25.165 -18.103 -15.982 460 1HB GLU 60 HB2 GLU 60 -27.181 -18.195 -13.730 461 2HB GLU 60 HB1 GLU 60 -27.631 -18.006 -15.423 462 1HG GLU 60 HG2 GLU 60 -26.723 -20.143 -16.000 463 2HG GLU 60 HG1 GLU 60 -25.934 -20.308 -14.436 464 H ALA 61 HN ALA 61 -23.761 -16.033 -15.648 465 HA ALA 61 HA ALA 61 -25.391 -13.656 -15.039 466 1HB ALA 61 HB1 ALA 61 -23.074 -13.941 -14.084 467 2HB ALA 61 HB3 ALA 61 -22.446 -13.784 -15.723 468 3HB ALA 61 HB2 ALA 61 -23.328 -12.447 -14.981 469 H ILE 62 HN ILE 62 -26.378 -12.630 -16.624 470 HA ILE 62 HA ILE 62 -25.629 -13.127 -19.419 471 HB ILE 62 HB ILE 62 -27.984 -11.499 -18.471 472 1HG1 ILE 62 HG12 ILE 62 -27.725 -14.499 -18.677 473 2HG1 ILE 62 HG11 ILE 62 -28.275 -13.551 -17.299 474 1HG2 ILE 62 HG23 ILE 62 -27.194 -11.556 -20.908 475 2HG2 ILE 62 HG22 ILE 62 -27.742 -13.231 -20.925 476 3HG2 ILE 62 HG21 ILE 62 -28.891 -11.933 -20.606 477 1HD1 ILE 62 HD12 ILE 62 -29.745 -13.742 -19.941 478 2HD1 ILE 62 HD11 ILE 62 -30.141 -14.670 -18.493 479 3HD1 ILE 62 HD13 ILE 62 -30.298 -12.913 -18.483 480 H CYS 63 HN CYS 63 -24.781 -11.625 -20.718 481 HA CYS 63 HA CYS 63 -24.281 -8.905 -19.625 482 1HB CYS 63 HB2 CYS 63 -22.429 -10.922 -20.534 483 2HB CYS 63 HB1 CYS 63 -22.335 -9.529 -21.593 484 HG CYS 63 HG CYS 63 -20.766 -9.444 -19.354 485 H GLU 64 HN GLU 64 -24.869 -7.226 -20.876 486 HA GLU 64 HA GLU 64 -25.661 -7.718 -23.693 487 1HB GLU 64 HB2 GLU 64 -27.056 -5.946 -21.673 488 2HB GLU 64 HB1 GLU 64 -27.456 -6.056 -23.387 489 1HG GLU 64 HG2 GLU 64 -27.605 -8.660 -22.783 490 2HG GLU 64 HG1 GLU 64 -27.941 -8.008 -21.183 491 H VAL 65 HN VAL 65 -24.696 -6.416 -25.106 492 HA VAL 65 HA VAL 65 -22.694 -4.553 -24.293 493 HB VAL 65 HB VAL 65 -23.936 -4.916 -27.028 494 1HG1 VAL 65 HG11 VAL 65 -21.521 -3.463 -26.026 495 2HG1 VAL 65 HG13 VAL 65 -21.477 -4.195 -27.632 496 3HG1 VAL 65 HG12 VAL 65 -22.697 -2.977 -27.253 497 1HG2 VAL 65 HG23 VAL 65 -22.965 -7.009 -25.948 498 2HG2 VAL 65 HG22 VAL 65 -22.288 -6.547 -27.509 499 3HG2 VAL 65 HG21 VAL 65 -21.402 -6.200 -26.026 500 H ALA 66 HN ALA 66 -22.807 -2.464 -23.889 501 HA ALA 66 HA ALA 66 -25.224 -0.904 -24.618 502 1HB ALA 66 HB2 ALA 66 -23.499 -0.774 -22.136 503 2HB ALA 66 HB1 ALA 66 -24.620 0.505 -22.594 504 3HB ALA 66 HB3 ALA 66 -25.225 -1.113 -22.239 505 H LEU 67 HN LEU 67 -24.142 -0.524 -26.612 506 HA LEU 67 HA LEU 67 -21.736 1.151 -26.568 507 1HB LEU 67 HB2 LEU 67 -22.697 -0.790 -28.333 508 2HB LEU 67 HB1 LEU 67 -22.962 0.726 -29.183 509 HG LEU 67 HG LEU 67 -20.803 -0.058 -29.789 510 1HD1 LEU 67 HD22 LEU 67 -21.111 2.409 -29.084 511 2HD1 LEU 67 HD21 LEU 67 -20.117 1.980 -27.693 512 3HD1 LEU 67 HD23 LEU 67 -19.474 1.797 -29.324 513 1HD2 LEU 67 HD13 LEU 67 -20.430 -0.549 -26.855 514 2HD2 LEU 67 HD12 LEU 67 -20.206 -1.654 -28.215 515 3HD2 LEU 67 HD11 LEU 67 -19.044 -0.358 -27.931 516 H ASP 68 HN ASP 68 -25.175 1.290 -27.414 517 HA ASP 68 HA ASP 68 -25.098 4.005 -28.368 518 1HB ASP 68 HB2 ASP 68 -27.478 3.841 -28.599 519 2HB ASP 68 HB1 ASP 68 -26.783 2.313 -29.120 520 H TYR 69 HN TYR 69 -24.924 2.742 -25.261 521 HA TYR 69 HA TYR 69 -26.495 4.634 -23.828 522 1HB TYR 69 HB2 TYR 69 -25.762 2.420 -22.935 523 2HB TYR 69 HB1 TYR 69 -24.121 3.030 -22.836 524 HD1 TYR 69 HD1 TYR 69 -27.392 4.634 -21.944 525 HD2 TYR 69 HD2 TYR 69 -23.609 3.211 -20.533 526 HE1 TYR 69 HE1 TYR 69 -27.888 5.494 -19.694 527 HE2 TYR 69 HE2 TYR 69 -24.126 4.077 -18.300 528 HH TYR 69 HH TYR 69 -25.635 6.008 -17.404 529 H LYS 70 HN LYS 70 -26.096 6.761 -23.729 530 HA LYS 70 HA LYS 70 -23.628 7.888 -24.667 531 1HB LYS 70 HB2 LYS 70 -26.066 9.204 -23.464 532 2HB LYS 70 HB1 LYS 70 -24.768 10.025 -24.323 533 1HG LYS 70 HG2 LYS 70 -25.450 8.114 -26.144 534 2HG LYS 70 HG1 LYS 70 -27.007 8.419 -25.372 535 1HD LYS 70 HD2 LYS 70 -26.879 9.923 -27.193 536 2HD LYS 70 HD1 LYS 70 -26.582 10.880 -25.741 537 1HE LYS 70 HE2 LYS 70 -24.356 11.225 -26.238 538 2HE LYS 70 HE1 LYS 70 -24.219 9.726 -27.155 539 1HZ LYS 70 HZ1 LYS 70 -25.991 11.726 -28.269 540 2HZ LYS 70 HZ3 LYS 70 -24.335 12.120 -28.270 541 3HZ LYS 70 HZ2 LYS 70 -24.877 10.694 -29.042 542 H LYS 71 HN LYS 71 -21.911 8.334 -23.592 543 HA LYS 71 HA LYS 71 -21.460 9.911 -21.470 544 1HB LYS 71 HB2 LYS 71 -22.456 7.389 -20.422 545 2HB LYS 71 HB1 LYS 71 -20.814 7.700 -19.870 546 1HG LYS 71 HG2 LYS 71 -21.427 9.844 -18.975 547 2HG LYS 71 HG1 LYS 71 -23.024 9.754 -19.707 548 1HD LYS 71 HD2 LYS 71 -23.657 7.947 -18.233 549 2HD LYS 71 HD1 LYS 71 -22.020 7.843 -17.588 550 1HE LYS 71 HE2 LYS 71 -23.475 9.043 -16.027 551 2HE LYS 71 HE1 LYS 71 -22.240 10.118 -16.667 552 1HZ LYS 71 HZ2 LYS 71 -24.774 10.019 -18.105 553 2HZ LYS 71 HZ1 LYS 71 -24.787 10.772 -16.573 554 3HZ LYS 71 HZ3 LYS 71 -23.742 11.345 -17.792 555 H LYS 72 HN LYS 72 -20.495 6.664 -22.337 556 HA LYS 72 HA LYS 72 -17.966 7.566 -23.441 557 1HB LYS 72 HB2 LYS 72 -18.151 6.256 -20.801 558 2HB LYS 72 HB1 LYS 72 -17.021 5.491 -21.911 559 1HG LYS 72 HG2 LYS 72 -16.843 8.434 -21.820 560 2HG LYS 72 HG1 LYS 72 -16.435 7.636 -20.310 561 1HD LYS 72 HD2 LYS 72 -15.234 6.481 -22.776 562 2HD LYS 72 HD1 LYS 72 -14.658 8.073 -22.303 563 1HE LYS 72 HE2 LYS 72 -13.301 7.115 -20.811 564 2HE LYS 72 HE1 LYS 72 -14.706 6.541 -19.924 565 1HZ LYS 72 HZ2 LYS 72 -14.609 4.665 -21.747 566 2HZ LYS 72 HZ1 LYS 72 -12.961 5.115 -21.798 567 3HZ LYS 72 HZ3 LYS 72 -13.663 4.591 -20.335 568 H LYS 73 HN LYS 73 -17.201 6.099 -24.956 569 HA LYS 73 HA LYS 73 -19.105 4.159 -25.898 570 1HB LYS 73 HB2 LYS 73 -17.547 3.957 -27.823 571 2HB LYS 73 HB1 LYS 73 -18.111 5.596 -27.532 572 1HG LYS 73 HG2 LYS 73 -15.977 6.282 -27.485 573 2HG LYS 73 HG1 LYS 73 -15.734 5.330 -26.026 574 1HD LYS 73 HD2 LYS 73 -14.157 4.288 -27.273 575 2HD LYS 73 HD1 LYS 73 -15.534 3.370 -27.871 576 1HE LYS 73 HE2 LYS 73 -14.375 5.838 -29.188 577 2HE LYS 73 HE1 LYS 73 -14.100 4.182 -29.707 578 1HZ LYS 73 HZ1 LYS 73 -16.528 3.974 -30.033 579 2HZ LYS 73 HZ3 LYS 73 -16.687 5.634 -29.699 580 3HZ LYS 73 HZ2 LYS 73 -15.787 5.122 -31.056 581 H HIS 74 HN HIS 74 -19.111 2.216 -25.371 582 HA HIS 74 HA HIS 74 -18.335 -0.002 -25.382 583 1HB HIS 74 HB2 HIS 74 -15.707 1.075 -24.327 584 2HB HIS 74 HB1 HIS 74 -16.115 -0.623 -24.442 585 HD1 HIS 74 HD1 HIS 74 -14.415 1.845 -26.302 586 HD2 HIS 74 HD2 HIS 74 -16.929 -1.273 -27.312 587 HE1 HIS 74 HE1 HIS 74 -13.926 1.380 -28.712 588 H VAL 75 HN VAL 75 -20.180 0.297 -23.902 589 HA VAL 75 HA VAL 75 -19.379 -0.303 -21.105 590 HB VAL 75 HB VAL 75 -21.958 1.004 -22.001 591 1HG1 VAL 75 HG11 VAL 75 -20.799 0.276 -19.339 592 2HG1 VAL 75 HG13 VAL 75 -21.932 1.618 -19.473 593 3HG1 VAL 75 HG12 VAL 75 -22.428 -0.002 -19.966 594 1HG2 VAL 75 HG23 VAL 75 -19.520 2.318 -21.927 595 2HG2 VAL 75 HG22 VAL 75 -21.115 3.060 -21.857 596 3HG2 VAL 75 HG21 VAL 75 -20.251 2.687 -20.369 597 H PHE 76 HN PHE 76 -20.872 -1.871 -20.061 598 HA PHE 76 HA PHE 76 -22.755 -3.260 -21.768 599 1HB PHE 76 HB2 PHE 76 -21.802 -5.459 -21.583 600 2HB PHE 76 HB1 PHE 76 -20.671 -4.381 -22.373 601 HD1 PHE 76 HD2 PHE 76 -21.344 -6.337 -19.340 602 HD2 PHE 76 HD1 PHE 76 -18.553 -3.820 -21.369 603 HE1 PHE 76 HE2 PHE 76 -19.603 -6.951 -17.710 604 HE2 PHE 76 HE1 PHE 76 -16.806 -4.431 -19.740 605 HZ PHE 76 HZ PHE 76 -17.290 -6.186 -18.030 606 H LYS 77 HN LYS 77 -24.365 -4.145 -20.692 607 HA LYS 77 HA LYS 77 -24.526 -3.706 -17.812 608 1HB LYS 77 HB2 LYS 77 -26.635 -4.717 -19.732 609 2HB LYS 77 HB1 LYS 77 -26.895 -4.166 -18.083 610 1HG LYS 77 HG2 LYS 77 -25.536 -2.090 -19.501 611 2HG LYS 77 HG1 LYS 77 -26.892 -2.629 -20.487 612 1HD LYS 77 HD2 LYS 77 -27.212 -2.022 -17.559 613 2HD LYS 77 HD1 LYS 77 -27.328 -0.758 -18.779 614 1HE LYS 77 HE2 LYS 77 -29.257 -1.708 -19.737 615 2HE LYS 77 HE1 LYS 77 -28.973 -3.271 -18.981 616 1HZ LYS 77 HZ3 LYS 77 -29.292 -1.106 -17.101 617 2HZ LYS 77 HZ2 LYS 77 -30.671 -1.394 -18.061 618 3HZ LYS 77 HZ1 LYS 77 -30.006 -2.651 -17.122 619 H LEU 78 HN LEU 78 -23.866 -5.274 -16.518 620 HA LEU 78 HA LEU 78 -24.036 -8.094 -17.373 621 1HB LEU 78 HB2 LEU 78 -21.816 -7.291 -16.748 622 2HB LEU 78 HB1 LEU 78 -22.424 -6.746 -15.197 623 HG LEU 78 HG LEU 78 -22.690 -8.890 -14.416 624 1HD1 LEU 78 HD13 LEU 78 -22.740 -9.726 -17.270 625 2HD1 LEU 78 HD12 LEU 78 -22.220 -10.890 -16.054 626 3HD1 LEU 78 HD11 LEU 78 -23.821 -10.165 -15.952 627 1HD2 LEU 78 HD22 LEU 78 -20.176 -8.335 -15.784 628 2HD2 LEU 78 HD21 LEU 78 -20.475 -8.860 -14.129 629 3HD2 LEU 78 HD23 LEU 78 -20.434 -10.043 -15.435 630 H ARG 79 HN ARG 79 -25.863 -9.023 -16.732 631 HA ARG 79 HA ARG 79 -27.104 -8.294 -14.150 632 1HB ARG 79 HB2 ARG 79 -28.432 -8.174 -16.324 633 2HB ARG 79 HB1 ARG 79 -28.355 -9.932 -16.363 634 1HG ARG 79 HG2 ARG 79 -29.200 -9.370 -13.767 635 2HG ARG 79 HG1 ARG 79 -30.032 -8.163 -14.739 636 1HD ARG 79 HD2 ARG 79 -31.425 -10.145 -14.541 637 2HD ARG 79 HD1 ARG 79 -30.887 -9.964 -16.212 638 HE ARG 79 HE ARG 79 -29.015 -11.618 -15.348 639 1HH1 ARG 79 HH11 ARG 79 -29.692 -12.988 -13.163 640 2HH1 ARG 79 HH12 ARG 79 -30.978 -14.103 -13.541 641 1HH2 ARG 79 HH21 ARG 79 -31.923 -12.401 -16.477 642 2HH2 ARG 79 HH22 ARG 79 -32.227 -13.798 -15.472 643 H LEU 80 HN LEU 80 -26.455 -9.558 -12.542 644 HA LEU 80 HA LEU 80 -25.460 -12.252 -12.969 645 1HB LEU 80 HB2 LEU 80 -25.963 -10.836 -10.344 646 2HB LEU 80 HB1 LEU 80 -24.901 -12.215 -10.633 647 HG LEU 80 HG LEU 80 -24.542 -9.404 -11.680 648 1HD1 LEU 80 HD11 LEU 80 -22.978 -11.049 -9.685 649 2HD1 LEU 80 HD13 LEU 80 -22.490 -9.465 -10.299 650 3HD1 LEU 80 HD12 LEU 80 -23.961 -9.624 -9.337 651 1HD2 LEU 80 HD22 LEU 80 -23.039 -11.944 -12.280 652 2HD2 LEU 80 HD21 LEU 80 -23.731 -10.778 -13.411 653 3HD2 LEU 80 HD23 LEU 80 -22.304 -10.352 -12.468 654 H SER 81 HN SER 81 -26.214 -13.885 -11.161 655 HA SER 81 HA SER 81 -28.816 -14.759 -11.783 656 1HB SER 81 HB2 SER 81 -28.104 -16.067 -9.430 657 2HB SER 81 HB1 SER 81 -27.759 -16.592 -11.074 658 HG SER 81 HG SER 81 -25.723 -16.102 -10.834 659 H ASP 82 HN ASP 82 -27.573 -12.846 -9.096 660 HA ASP 82 HA ASP 82 -29.945 -12.993 -7.474 661 1HB ASP 82 HB2 ASP 82 -27.528 -12.407 -6.752 662 2HB ASP 82 HB1 ASP 82 -27.891 -10.781 -7.319 663 H GLY 83 HN GLY 83 -29.440 -11.521 -10.410 664 1HA GLY 83 HA2 GLY 83 -31.071 -10.308 -11.596 665 2HA GLY 83 HA1 GLY 83 -31.777 -9.781 -10.074 666 H ASN 84 HN ASN 84 -28.871 -9.164 -9.223 667 HA ASN 84 HA ASN 84 -28.880 -6.411 -9.458 668 1HB ASN 84 HB2 ASN 84 -26.499 -8.259 -9.104 669 2HB ASN 84 HB1 ASN 84 -26.470 -6.515 -8.845 670 1HD2 ASN 84 HD22 ASN 84 -27.214 -7.123 -5.492 671 2HD2 ASN 84 HD21 ASN 84 -26.116 -6.481 -6.672 672 H GLU 85 HN GLU 85 -28.468 -5.026 -11.026 673 HA GLU 85 HA GLU 85 -27.124 -5.931 -13.510 674 1HB GLU 85 HB2 GLU 85 -29.336 -3.991 -12.933 675 2HB GLU 85 HB1 GLU 85 -28.294 -3.700 -14.329 676 1HG GLU 85 HG2 GLU 85 -28.791 -6.063 -15.068 677 2HG GLU 85 HG1 GLU 85 -29.988 -6.143 -13.775 678 H TYR 86 HN TYR 86 -25.077 -5.240 -13.725 679 HA TYR 86 HA TYR 86 -24.282 -2.612 -12.574 680 1HB TYR 86 HB2 TYR 86 -22.574 -5.083 -12.847 681 2HB TYR 86 HB1 TYR 86 -22.046 -3.536 -12.216 682 HD1 TYR 86 HD1 TYR 86 -23.158 -2.665 -10.088 683 HD2 TYR 86 HD2 TYR 86 -23.488 -6.699 -11.439 684 HE1 TYR 86 HE1 TYR 86 -23.843 -3.372 -7.828 685 HE2 TYR 86 HE2 TYR 86 -24.164 -7.402 -9.179 686 HH TYR 86 HH TYR 86 -24.143 -6.749 -6.969 687 H LEU 87 HN LEU 87 -23.696 -1.199 -14.108 688 HA LEU 87 HA LEU 87 -23.068 -1.947 -16.793 689 1HB LEU 87 HB2 LEU 87 -23.435 0.590 -15.261 690 2HB LEU 87 HB1 LEU 87 -22.559 0.640 -16.783 691 HG LEU 87 HG LEU 87 -24.408 -0.604 -17.792 692 1HD1 LEU 87 HD22 LEU 87 -25.501 -0.313 -15.095 693 2HD1 LEU 87 HD21 LEU 87 -26.605 -0.266 -16.472 694 3HD1 LEU 87 HD23 LEU 87 -25.562 -1.671 -16.225 695 1HD2 LEU 87 HD11 LEU 87 -24.594 2.171 -16.798 696 2HD2 LEU 87 HD13 LEU 87 -24.594 1.567 -18.455 697 3HD2 LEU 87 HD12 LEU 87 -26.066 1.480 -17.485 698 H PHE 88 HN PHE 88 -21.168 -2.675 -17.275 699 HA PHE 88 HA PHE 88 -18.771 -1.808 -15.779 700 1HB PHE 88 HB2 PHE 88 -19.441 -4.254 -17.374 701 2HB PHE 88 HB1 PHE 88 -17.767 -3.825 -17.048 702 HD1 PHE 88 HD1 PHE 88 -17.169 -3.367 -14.571 703 HD2 PHE 88 HD2 PHE 88 -20.611 -5.554 -15.829 704 HE1 PHE 88 HE1 PHE 88 -17.291 -4.441 -12.362 705 HE2 PHE 88 HE2 PHE 88 -20.734 -6.625 -13.614 706 HZ PHE 88 HZ PHE 88 -19.084 -6.074 -11.880 707 H GLN 89 HN GLN 89 -17.377 -0.452 -16.735 708 HA GLN 89 HA GLN 89 -17.597 0.009 -19.656 709 1HB GLN 89 HB2 GLN 89 -17.888 1.867 -17.749 710 2HB GLN 89 HB1 GLN 89 -16.146 1.945 -17.933 711 1HG GLN 89 HG2 GLN 89 -16.381 2.381 -20.314 712 2HG GLN 89 HG1 GLN 89 -18.132 2.224 -20.188 713 1HE2 GLN 89 HE22 GLN 89 -18.556 5.343 -18.476 714 2HE2 GLN 89 HE21 GLN 89 -19.187 3.741 -18.599 715 H ALA 90 HN ALA 90 -15.952 -0.321 -20.923 716 HA ALA 90 HA ALA 90 -13.331 -1.140 -19.803 717 1HB ALA 90 HB3 ALA 90 -14.706 -1.816 -22.423 718 2HB ALA 90 HB2 ALA 90 -13.050 -2.273 -22.024 719 3HB ALA 90 HB1 ALA 90 -14.395 -2.915 -21.079 720 H LYS 91 HN LYS 91 -11.449 -0.499 -21.241 721 HA LYS 91 HA LYS 91 -11.889 2.263 -22.250 722 1HB LYS 91 HB2 LYS 91 -9.328 2.386 -22.015 723 2HB LYS 91 HB1 LYS 91 -10.313 2.412 -20.563 724 1HG LYS 91 HG2 LYS 91 -9.431 -0.267 -21.460 725 2HG LYS 91 HG1 LYS 91 -8.163 0.808 -20.891 726 1HD LYS 91 HD2 LYS 91 -9.606 1.208 -18.828 727 2HD LYS 91 HD1 LYS 91 -10.595 -0.141 -19.373 728 1HE LYS 91 HE2 LYS 91 -7.924 -1.036 -19.503 729 2HE LYS 91 HE1 LYS 91 -8.059 -0.165 -17.980 730 1HZ LYS 91 HZ1 LYS 91 -9.987 -2.258 -18.826 731 2HZ LYS 91 HZ3 LYS 91 -8.598 -2.592 -17.911 732 3HZ LYS 91 HZ2 LYS 91 -9.810 -1.569 -17.283 733 H ASP 92 HN ASP 92 -11.238 -0.887 -23.351 734 HA ASP 92 HA ASP 92 -10.459 0.162 -26.008 735 1HB ASP 92 HB2 ASP 92 -9.095 -1.869 -24.320 736 2HB ASP 92 HB1 ASP 92 -9.289 -2.301 -26.018 737 H ASP 93 HN ASP 93 -11.168 -1.084 -27.777 738 HA ASP 93 HA ASP 93 -13.805 -2.120 -27.581 739 1HB ASP 93 HB2 ASP 93 -12.844 -1.033 -29.605 740 2HB ASP 93 HB1 ASP 93 -11.811 -2.434 -29.846 741 H GLU 94 HN GLU 94 -10.658 -3.715 -28.043 742 HA GLU 94 HA GLU 94 -11.624 -6.385 -28.207 743 1HB GLU 94 HB2 GLU 94 -8.918 -5.443 -27.229 744 2HB GLU 94 HB1 GLU 94 -9.326 -7.063 -27.787 745 1HG GLU 94 HG2 GLU 94 -8.483 -6.301 -29.752 746 2HG GLU 94 HG1 GLU 94 -10.109 -5.654 -29.947 747 H GLU 95 HN GLU 95 -10.513 -4.401 -25.500 748 HA GLU 95 HA GLU 95 -10.554 -6.304 -23.441 749 1HB GLU 95 HB2 GLU 95 -9.711 -3.861 -23.434 750 2HB GLU 95 HB1 GLU 95 -11.373 -3.433 -23.055 751 1HG GLU 95 HG2 GLU 95 -10.957 -5.382 -21.216 752 2HG GLU 95 HG1 GLU 95 -9.313 -4.773 -21.384 753 H MET 96 HN MET 96 -13.123 -4.096 -24.562 754 HA MET 96 HA MET 96 -15.137 -4.856 -22.749 755 1HB MET 96 HB2 MET 96 -15.086 -2.874 -24.378 756 2HB MET 96 HB1 MET 96 -15.670 -4.003 -25.593 757 1HG MET 96 HG2 MET 96 -17.488 -4.562 -23.774 758 2HG MET 96 HG1 MET 96 -17.036 -2.993 -23.121 759 1HE MET 96 HE1 MET 96 -17.665 -4.803 -26.415 760 2HE MET 96 HE3 MET 96 -19.361 -4.717 -25.917 761 3HE MET 96 HE2 MET 96 -18.793 -3.773 -27.293 762 H ASN 97 HN ASN 97 -14.337 -6.128 -25.977 763 HA ASN 97 HA ASN 97 -16.471 -8.012 -26.118 764 1HB ASN 97 HB2 ASN 97 -15.083 -7.156 -28.068 765 2HB ASN 97 HB1 ASN 97 -13.801 -8.242 -27.534 766 1HD2 ASN 97 HD22 ASN 97 -15.198 -10.732 -29.555 767 2HD2 ASN 97 HD21 ASN 97 -13.826 -9.737 -29.153 768 H THR 98 HN THR 98 -13.070 -8.297 -25.073 769 HA THR 98 HA THR 98 -13.103 -11.080 -24.544 770 HB THR 98 HB THR 98 -11.391 -8.899 -23.336 771 HG1 THR 98 HG1 THR 98 -11.540 -9.835 -25.802 772 1HG2 THR 98 HG23 THR 98 -11.155 -11.906 -23.292 773 2HG2 THR 98 HG22 THR 98 -9.754 -10.854 -23.079 774 3HG2 THR 98 HG21 THR 98 -11.091 -10.780 -21.933 775 H TRP 99 HN TRP 99 -13.945 -8.282 -22.521 776 HA TRP 99 HA TRP 99 -14.242 -9.664 -20.056 777 1HB TRP 99 HB2 TRP 99 -15.255 -7.068 -21.165 778 2HB TRP 99 HB1 TRP 99 -15.993 -7.689 -19.699 779 HD1 TRP 99 HD1 TRP 99 -13.392 -5.360 -20.633 780 HE1 TRP 99 HE1 TRP 99 -11.678 -5.059 -18.773 781 HE3 TRP 99 HE3 TRP 99 -14.557 -9.407 -17.706 782 HZ2 TRP 99 HZ2 TRP 99 -10.903 -6.321 -16.382 783 HZ3 TRP 99 HZ3 TRP 99 -13.283 -9.787 -15.630 784 HH2 TRP 99 HH2 TRP 99 -11.471 -8.258 -14.977 785 H ILE 100 HN ILE 100 -16.657 -8.700 -22.491 786 HA ILE 100 HA ILE 100 -18.895 -9.943 -21.325 787 HB ILE 100 HB ILE 100 -18.242 -9.170 -24.164 788 1HG1 ILE 100 HG12 ILE 100 -20.090 -7.945 -22.104 789 2HG1 ILE 100 HG11 ILE 100 -18.471 -7.367 -22.474 790 1HG2 ILE 100 HG21 ILE 100 -20.700 -10.466 -23.061 791 2HG2 ILE 100 HG23 ILE 100 -20.836 -9.310 -24.386 792 3HG2 ILE 100 HG22 ILE 100 -19.863 -10.767 -24.585 793 1HD1 ILE 100 HD12 ILE 100 -19.558 -7.388 -24.959 794 2HD1 ILE 100 HD11 ILE 100 -20.985 -7.036 -23.980 795 3HD1 ILE 100 HD13 ILE 100 -19.574 -5.982 -23.889 796 H GLN 101 HN GLN 101 -16.607 -11.152 -23.783 797 HA GLN 101 HA GLN 101 -17.859 -13.673 -24.188 798 1HB GLN 101 HB2 GLN 101 -15.015 -12.752 -24.622 799 2HB GLN 101 HB1 GLN 101 -15.618 -14.329 -25.119 800 1HG GLN 101 HG2 GLN 101 -17.238 -11.998 -25.998 801 2HG GLN 101 HG1 GLN 101 -15.635 -12.130 -26.714 802 1HE2 GLN 101 HE22 GLN 101 -18.561 -14.811 -27.654 803 2HE2 GLN 101 HE21 GLN 101 -18.750 -13.669 -26.353 804 H ALA 102 HN ALA 102 -15.362 -12.571 -21.931 805 HA ALA 102 HA ALA 102 -14.662 -15.127 -20.874 806 1HB ALA 102 HB2 ALA 102 -14.404 -12.357 -19.670 807 2HB ALA 102 HB1 ALA 102 -13.674 -13.816 -18.994 808 3HB ALA 102 HB3 ALA 102 -13.173 -13.229 -20.581 809 H ILE 103 HN ILE 103 -17.082 -12.714 -20.006 810 HA ILE 103 HA ILE 103 -17.925 -13.952 -17.564 811 HB ILE 103 HB ILE 103 -19.103 -11.863 -19.390 812 1HG1 ILE 103 HG12 ILE 103 -18.335 -11.468 -16.523 813 2HG1 ILE 103 HG11 ILE 103 -17.065 -11.566 -17.738 814 1HG2 ILE 103 HG22 ILE 103 -20.323 -13.095 -16.931 815 2HG2 ILE 103 HG21 ILE 103 -20.676 -11.431 -17.410 816 3HG2 ILE 103 HG23 ILE 103 -21.069 -12.760 -18.496 817 1HD1 ILE 103 HD11 ILE 103 -18.518 -9.782 -19.003 818 2HD1 ILE 103 HD13 ILE 103 -19.203 -9.494 -17.403 819 3HD1 ILE 103 HD12 ILE 103 -17.471 -9.284 -17.669 820 H SER 104 HN SER 104 -18.991 -14.139 -20.937 821 HA SER 104 HA SER 104 -21.329 -15.713 -20.485 822 1HB SER 104 HB2 SER 104 -19.621 -15.325 -22.960 823 2HB SER 104 HB1 SER 104 -21.170 -16.162 -22.944 824 HG SER 104 HG SER 104 -21.937 -14.222 -23.302 825 H SER 105 HN SER 105 -17.974 -16.505 -21.351 826 HA SER 105 HA SER 105 -18.418 -19.351 -21.529 827 1HB SER 105 HB2 SER 105 -15.769 -17.926 -21.224 828 2HB SER 105 HB1 SER 105 -16.069 -19.513 -21.929 829 HG SER 105 HG SER 105 -16.530 -16.955 -23.001 830 H ALA 106 HN ALA 106 -17.034 -17.169 -19.091 831 HA ALA 106 HA ALA 106 -16.679 -17.366 -16.857 832 1HB ALA 106 HB2 ALA 106 -18.937 -18.573 -16.998 833 2HB ALA 106 HB1 ALA 106 -18.013 -20.071 -16.871 834 3HB ALA 106 HB3 ALA 106 -17.939 -18.873 -15.577 No H/Q in entry = 834 Start of MODEL 47 1 1H MET 1 HT1 MET 1 -7.273 -14.221 -14.441 2 2H MET 1 HT3 MET 1 -6.991 -15.041 -15.905 3 3H MET 1 HT2 MET 1 -6.351 -13.479 -15.668 4 HA MET 1 HA MET 1 -8.147 -13.048 -16.985 5 1HB MET 1 HB2 MET 1 -10.430 -14.064 -16.457 6 2HB MET 1 HB1 MET 1 -9.226 -15.141 -17.149 7 1HG MET 1 HG2 MET 1 -8.710 -15.989 -14.874 8 2HG MET 1 HG1 MET 1 -9.971 -14.958 -14.221 9 1HE MET 1 HE3 MET 1 -10.254 -17.600 -13.244 10 2HE MET 1 HE2 MET 1 -11.146 -18.823 -14.145 11 3HE MET 1 HE1 MET 1 -9.453 -18.517 -14.529 12 H GLU 2 HN GLU 2 -7.251 -11.318 -15.482 13 HA GLU 2 HA GLU 2 -9.475 -10.134 -14.009 14 1HB GLU 2 HB2 GLU 2 -8.354 -9.796 -12.019 15 2HB GLU 2 HB1 GLU 2 -8.017 -11.466 -12.432 16 1HG GLU 2 HG2 GLU 2 -6.145 -9.262 -13.188 17 2HG GLU 2 HG1 GLU 2 -6.095 -9.986 -11.594 18 H GLY 3 HN GLY 3 -9.163 -7.822 -13.557 19 1HA GLY 3 HA2 GLY 3 -7.080 -6.219 -14.463 20 2HA GLY 3 HA1 GLY 3 -8.152 -6.433 -15.846 21 H PHE 4 HN PHE 4 -8.017 -3.968 -15.258 22 HA PHE 4 HA PHE 4 -9.809 -3.085 -13.146 23 1HB PHE 4 HB2 PHE 4 -8.158 -1.731 -15.238 24 2HB PHE 4 HB1 PHE 4 -9.440 -0.831 -14.449 25 HD1 PHE 4 HD1 PHE 4 -9.445 -1.105 -11.778 26 HD2 PHE 4 HD2 PHE 4 -6.045 -1.573 -14.326 27 HE1 PHE 4 HE1 PHE 4 -7.953 -0.651 -9.870 28 HE2 PHE 4 HE2 PHE 4 -4.553 -1.109 -12.423 29 HZ PHE 4 HZ PHE 4 -5.520 -0.589 -10.198 30 H LEU 5 HN LEU 5 -11.780 -2.160 -13.376 31 HA LEU 5 HA LEU 5 -13.102 -1.914 -15.968 32 1HB LEU 5 HB2 LEU 5 -13.659 -4.097 -14.046 33 2HB LEU 5 HB1 LEU 5 -15.079 -3.195 -14.558 34 HG LEU 5 HG LEU 5 -13.078 -4.437 -16.447 35 1HD1 LEU 5 HD11 LEU 5 -15.617 -5.473 -15.250 36 2HD1 LEU 5 HD13 LEU 5 -15.123 -5.987 -16.863 37 3HD1 LEU 5 HD12 LEU 5 -14.073 -6.293 -15.478 38 1HD2 LEU 5 HD23 LEU 5 -15.331 -2.635 -16.805 39 2HD2 LEU 5 HD22 LEU 5 -14.080 -3.121 -17.950 40 3HD2 LEU 5 HD21 LEU 5 -15.515 -4.123 -17.734 41 H ASN 6 HN ASN 6 -14.788 -0.421 -15.881 42 HA ASN 6 HA ASN 6 -14.996 1.150 -13.411 43 1HB ASN 6 HB2 ASN 6 -15.176 1.777 -16.199 44 2HB ASN 6 HB1 ASN 6 -16.742 2.098 -15.478 45 1HD2 ASN 6 HD22 ASN 6 -14.886 5.229 -15.173 46 2HD2 ASN 6 HD21 ASN 6 -15.565 4.231 -16.422 47 H ARG 7 HN ARG 7 -16.569 0.762 -11.990 48 HA ARG 7 HA ARG 7 -18.834 -0.960 -12.838 49 1HB ARG 7 HB2 ARG 7 -17.354 -1.960 -11.173 50 2HB ARG 7 HB1 ARG 7 -17.574 -0.572 -10.111 51 1HG ARG 7 HG2 ARG 7 -19.807 -1.135 -9.632 52 2HG ARG 7 HG1 ARG 7 -19.939 -2.170 -11.053 53 1HD ARG 7 HD2 ARG 7 -19.803 -3.648 -9.198 54 2HD ARG 7 HD1 ARG 7 -18.212 -3.686 -9.959 55 HE ARG 7 HE ARG 7 -17.655 -1.890 -8.141 56 1HH1 ARG 7 HH21 ARG 7 -19.502 -1.717 -6.165 57 2HH1 ARG 7 HH22 ARG 7 -19.368 -3.135 -5.150 58 1HH2 ARG 7 HH11 ARG 7 -17.646 -5.029 -7.559 59 2HH2 ARG 7 HH12 ARG 7 -18.306 -5.022 -5.951 60 H LYS 8 HN LYS 8 -20.837 -0.283 -12.629 61 HA LYS 8 HA LYS 8 -21.586 1.944 -10.872 62 1HB LYS 8 HB2 LYS 8 -21.132 3.012 -13.027 63 2HB LYS 8 HB1 LYS 8 -22.153 1.854 -13.853 64 1HG LYS 8 HG2 LYS 8 -23.931 2.824 -12.061 65 2HG LYS 8 HG1 LYS 8 -22.887 4.223 -12.201 66 1HD LYS 8 HD2 LYS 8 -23.749 4.757 -14.204 67 2HD LYS 8 HD1 LYS 8 -23.509 3.124 -14.815 68 1HE LYS 8 HE2 LYS 8 -25.877 3.731 -14.879 69 2HE LYS 8 HE1 LYS 8 -25.607 2.411 -13.744 70 1HZ LYS 8 HZ3 LYS 8 -25.379 4.917 -12.437 71 2HZ LYS 8 HZ2 LYS 8 -26.866 4.815 -13.247 72 3HZ LYS 8 HZ1 LYS 8 -26.432 3.625 -12.107 73 H HIS 9 HN HIS 9 -23.537 1.532 -9.940 74 HA HIS 9 HA HIS 9 -24.994 -0.863 -10.835 75 1HB HIS 9 HB2 HIS 9 -26.189 -0.719 -8.656 76 2HB HIS 9 HB1 HIS 9 -24.462 -0.980 -8.512 77 HD1 HIS 9 HD1 HIS 9 -26.455 0.271 -6.351 78 HD2 HIS 9 HD2 HIS 9 -23.703 2.348 -8.644 79 HE1 HIS 9 HE1 HIS 9 -25.899 2.313 -5.018 80 H GLU 10 HN GLU 10 -26.882 -0.738 -11.804 81 HA GLU 10 HA GLU 10 -28.070 1.921 -12.253 82 1HB GLU 10 HB2 GLU 10 -27.389 0.316 -14.148 83 2HB GLU 10 HB1 GLU 10 -28.790 -0.634 -13.685 84 1HG GLU 10 HG2 GLU 10 -29.527 0.762 -15.460 85 2HG GLU 10 HG1 GLU 10 -30.174 1.491 -13.993 86 H TRP 11 HN TRP 11 -28.732 -1.213 -10.873 87 HA TRP 11 HA TRP 11 -31.001 -0.253 -9.393 88 1HB TRP 11 HB2 TRP 11 -32.020 -0.589 -11.643 89 2HB TRP 11 HB1 TRP 11 -31.484 -2.260 -11.621 90 HD1 TRP 11 HD1 TRP 11 -34.160 0.055 -10.126 91 HE1 TRP 11 HE1 TRP 11 -35.975 -1.425 -9.099 92 HE3 TRP 11 HE3 TRP 11 -31.915 -4.526 -10.529 93 HZ2 TRP 11 HZ2 TRP 11 -36.425 -4.133 -8.514 94 HZ3 TRP 11 HZ3 TRP 11 -33.105 -6.514 -9.720 95 HH2 TRP 11 HH2 TRP 11 -35.323 -6.322 -8.729 96 H GLU 12 HN GLU 12 -30.878 -1.333 -7.503 97 HA GLU 12 HA GLU 12 -29.396 -3.875 -7.398 98 1HB GLU 12 HB2 GLU 12 -29.989 -3.358 -4.781 99 2HB GLU 12 HB1 GLU 12 -28.514 -2.880 -5.594 100 1HG GLU 12 HG2 GLU 12 -30.786 -0.972 -5.820 101 2HG GLU 12 HG1 GLU 12 -30.110 -1.177 -4.215 102 H ALA 13 HN ALA 13 -32.414 -2.590 -5.957 103 HA ALA 13 HA ALA 13 -34.131 -4.604 -6.809 104 1HB ALA 13 HB1 ALA 13 -32.686 -5.271 -4.257 105 2HB ALA 13 HB3 ALA 13 -34.332 -5.843 -4.522 106 3HB ALA 13 HB2 ALA 13 -33.047 -6.318 -5.628 107 H HIS 14 HN HIS 14 -36.135 -4.755 -5.453 108 HA HIS 14 HA HIS 14 -37.951 -3.761 -4.503 109 1HB HIS 14 HB2 HIS 14 -35.923 -2.359 -2.744 110 2HB HIS 14 HB1 HIS 14 -37.631 -2.585 -2.397 111 HD1 HIS 14 HD1 HIS 14 -38.387 -5.161 -2.117 112 HD2 HIS 14 HD2 HIS 14 -34.320 -4.426 -1.833 113 HE1 HIS 14 HE1 HIS 14 -37.430 -7.203 -1.023 114 H ASN 15 HN ASN 15 -36.902 -2.490 -6.830 115 HA ASN 15 HA ASN 15 -37.342 -0.660 -8.136 116 1HB ASN 15 HB2 ASN 15 -39.515 -0.756 -6.652 117 2HB ASN 15 HB1 ASN 15 -38.838 0.693 -5.913 118 1HD2 ASN 15 HD22 ASN 15 -40.740 2.321 -8.430 119 2HD2 ASN 15 HD21 ASN 15 -40.696 1.821 -6.766 120 H LYS 16 HN LYS 16 -35.287 -0.699 -5.745 121 HA LYS 16 HA LYS 16 -34.657 2.146 -5.516 122 1HB LYS 16 HB2 LYS 16 -34.518 0.287 -3.651 123 2HB LYS 16 HB1 LYS 16 -32.946 -0.043 -4.375 124 1HG LYS 16 HG2 LYS 16 -32.170 2.164 -3.922 125 2HG LYS 16 HG1 LYS 16 -33.791 2.724 -3.509 126 1HD LYS 16 HD2 LYS 16 -33.807 1.255 -1.539 127 2HD LYS 16 HD1 LYS 16 -32.201 0.666 -1.958 128 1HE LYS 16 HE2 LYS 16 -32.811 3.576 -1.396 129 2HE LYS 16 HE1 LYS 16 -32.271 2.446 -0.160 130 1HZ LYS 16 HZ2 LYS 16 -30.565 2.253 -2.384 131 2HZ LYS 16 HZ1 LYS 16 -30.710 3.892 -1.950 132 3HZ LYS 16 HZ3 LYS 16 -30.198 2.750 -0.793 133 H LYS 17 HN LYS 17 -33.077 3.132 -6.629 134 HA LYS 17 HA LYS 17 -31.107 1.541 -8.142 135 1HB LYS 17 HB2 LYS 17 -31.449 3.308 -10.015 136 2HB LYS 17 HB1 LYS 17 -32.600 1.986 -9.882 137 1HG LYS 17 HG2 LYS 17 -34.282 3.345 -9.038 138 2HG LYS 17 HG1 LYS 17 -33.151 4.566 -8.458 139 1HD LYS 17 HD2 LYS 17 -33.315 4.037 -11.399 140 2HD LYS 17 HD1 LYS 17 -34.609 4.953 -10.642 141 1HE LYS 17 HE2 LYS 17 -33.310 6.758 -10.951 142 2HE LYS 17 HE1 LYS 17 -32.331 6.152 -9.622 143 1HZ LYS 17 HZ1 LYS 17 -31.861 5.296 -12.411 144 2HZ LYS 17 HZ3 LYS 17 -31.168 6.718 -11.779 145 3HZ LYS 17 HZ2 LYS 17 -30.799 5.212 -11.075 146 H ALA 18 HN ALA 18 -29.511 3.223 -9.204 147 HA ALA 18 HA ALA 18 -28.573 4.978 -7.016 148 1HB ALA 18 HB1 ALA 18 -27.215 2.970 -7.951 149 2HB ALA 18 HB3 ALA 18 -26.866 4.052 -9.301 150 3HB ALA 18 HB2 ALA 18 -26.391 4.508 -7.664 151 H SER 19 HN SER 19 -26.636 6.226 -8.763 152 HA SER 19 HA SER 19 -28.363 8.061 -10.319 153 1HB SER 19 HB2 SER 19 -25.858 8.751 -8.748 154 2HB SER 19 HB1 SER 19 -26.845 9.871 -9.683 155 HG SER 19 HG SER 19 -28.470 9.723 -8.234 156 H SER 20 HN SER 20 -26.931 9.350 -11.911 157 HA SER 20 HA SER 20 -25.741 7.439 -13.669 158 1HB SER 20 HB2 SER 20 -25.190 9.912 -14.773 159 2HB SER 20 HB1 SER 20 -26.618 8.935 -15.078 160 HG SER 20 HG SER 20 -26.894 11.243 -14.328 161 H ARG 21 HN ARG 21 -24.445 10.008 -11.595 162 HA ARG 21 HA ARG 21 -21.745 9.693 -12.617 163 1HB ARG 21 HB2 ARG 21 -21.131 11.442 -11.136 164 2HB ARG 21 HB1 ARG 21 -22.700 11.865 -11.803 165 1HG ARG 21 HG2 ARG 21 -23.489 12.126 -9.733 166 2HG ARG 21 HG1 ARG 21 -23.210 10.417 -9.419 167 1HD ARG 21 HD2 ARG 21 -20.818 11.017 -8.840 168 2HD ARG 21 HD1 ARG 21 -21.298 12.713 -8.931 169 HE ARG 21 HE ARG 21 -23.036 11.237 -7.187 170 1HH1 ARG 21 HH21 ARG 21 -20.022 10.664 -6.459 171 2HH1 ARG 21 HH22 ARG 21 -19.781 11.846 -5.194 172 1HH2 ARG 21 HH11 ARG 21 -22.692 13.659 -5.981 173 2HH2 ARG 21 HH12 ARG 21 -21.307 13.555 -4.919 174 H SER 22 HN SER 22 -23.396 7.559 -10.880 175 HA SER 22 HA SER 22 -21.541 7.050 -8.700 176 1HB SER 22 HB2 SER 22 -23.789 5.314 -9.736 177 2HB SER 22 HB1 SER 22 -22.939 5.169 -8.203 178 HG SER 22 HG SER 22 -23.712 7.494 -7.933 179 H TRP 23 HN TRP 23 -19.845 7.052 -10.488 180 HA TRP 23 HA TRP 23 -19.373 4.318 -11.544 181 1HB TRP 23 HB2 TRP 23 -18.623 7.051 -12.568 182 2HB TRP 23 HB1 TRP 23 -17.661 5.652 -13.018 183 HD1 TRP 23 HD1 TRP 23 -20.844 7.459 -13.920 184 HE1 TRP 23 HE1 TRP 23 -22.051 6.162 -15.773 185 HE3 TRP 23 HE3 TRP 23 -18.122 3.135 -13.861 186 HZ2 TRP 23 HZ2 TRP 23 -21.903 3.643 -17.034 187 HZ3 TRP 23 HZ3 TRP 23 -18.700 1.325 -15.413 188 HH2 TRP 23 HH2 TRP 23 -20.571 1.567 -16.989 189 H HIS 24 HN HIS 24 -17.499 3.269 -10.995 190 HA HIS 24 HA HIS 24 -15.338 4.693 -9.638 191 1HB HIS 24 HB2 HIS 24 -17.044 3.851 -7.897 192 2HB HIS 24 HB1 HIS 24 -16.518 2.227 -8.338 193 HD1 HIS 24 HD1 HIS 24 -15.808 4.769 -5.955 194 HD2 HIS 24 HD2 HIS 24 -13.492 2.080 -8.080 195 HE1 HIS 24 HE1 HIS 24 -13.637 4.661 -4.710 196 H ASN 25 HN ASN 25 -13.410 3.912 -10.288 197 HA ASN 25 HA ASN 25 -13.319 1.654 -12.126 198 1HB ASN 25 HB2 ASN 25 -12.015 3.848 -12.362 199 2HB ASN 25 HB1 ASN 25 -10.962 3.244 -11.088 200 1HD2 ASN 25 HD22 ASN 25 -9.137 1.204 -13.248 201 2HD2 ASN 25 HD21 ASN 25 -9.311 1.950 -11.693 202 H VAL 26 HN VAL 26 -13.632 -0.218 -11.046 203 HA VAL 26 HA VAL 26 -11.952 -0.847 -8.694 204 HB VAL 26 HB VAL 26 -14.493 -0.898 -8.573 205 1HG1 VAL 26 HG12 VAL 26 -14.796 -2.006 -10.806 206 2HG1 VAL 26 HG11 VAL 26 -14.227 -3.503 -10.065 207 3HG1 VAL 26 HG13 VAL 26 -15.700 -2.740 -9.477 208 1HG2 VAL 26 HG22 VAL 26 -12.990 -2.014 -6.946 209 2HG2 VAL 26 HG21 VAL 26 -14.556 -2.808 -7.137 210 3HG2 VAL 26 HG23 VAL 26 -13.126 -3.497 -7.899 211 H TYR 27 HN TYR 27 -11.121 -3.049 -8.544 212 HA TYR 27 HA TYR 27 -10.208 -4.076 -11.158 213 1HB TYR 27 HB2 TYR 27 -8.677 -3.369 -9.171 214 2HB TYR 27 HB1 TYR 27 -9.122 -4.915 -8.485 215 HD1 TYR 27 HD2 TYR 27 -8.585 -7.025 -9.792 216 HD2 TYR 27 HD1 TYR 27 -7.068 -3.192 -10.860 217 HE1 TYR 27 HE2 TYR 27 -6.826 -8.088 -11.144 218 HE2 TYR 27 HE1 TYR 27 -5.309 -4.246 -12.203 219 HH TYR 27 HH TYR 27 -4.580 -7.565 -12.020 220 H CYS 28 HN CYS 28 -11.232 -5.812 -11.935 221 HA CYS 28 HA CYS 28 -12.754 -7.561 -10.099 222 1HB CYS 28 HB2 CYS 28 -12.956 -7.439 -13.109 223 2HB CYS 28 HB1 CYS 28 -14.085 -8.174 -11.977 224 HG CYS 28 HG CYS 28 -13.752 -5.144 -11.637 225 H VAL 29 HN VAL 29 -12.353 -9.687 -9.930 226 HA VAL 29 HA VAL 29 -10.291 -10.939 -11.645 227 HB VAL 29 HB VAL 29 -10.523 -11.412 -8.668 228 1HG1 VAL 29 HG12 VAL 29 -8.998 -12.610 -10.817 229 2HG1 VAL 29 HG11 VAL 29 -7.936 -11.968 -9.564 230 3HG1 VAL 29 HG13 VAL 29 -9.190 -13.136 -9.145 231 1HG2 VAL 29 HG22 VAL 29 -8.641 -9.530 -10.096 232 2HG2 VAL 29 HG21 VAL 29 -9.860 -9.105 -8.898 233 3HG2 VAL 29 HG23 VAL 29 -8.456 -10.057 -8.427 234 H ILE 30 HN ILE 30 -11.260 -12.575 -12.683 235 HA ILE 30 HA ILE 30 -13.654 -13.860 -11.610 236 HB ILE 30 HB ILE 30 -12.175 -14.528 -14.159 237 1HG1 ILE 30 HG12 ILE 30 -14.420 -12.530 -13.809 238 2HG1 ILE 30 HG11 ILE 30 -12.733 -12.110 -14.086 239 1HG2 ILE 30 HG21 ILE 30 -14.965 -15.056 -13.143 240 2HG2 ILE 30 HG23 ILE 30 -14.539 -15.186 -14.849 241 3HG2 ILE 30 HG22 ILE 30 -13.751 -16.225 -13.659 242 1HD1 ILE 30 HD12 ILE 30 -13.856 -14.013 -16.037 243 2HD1 ILE 30 HD11 ILE 30 -14.577 -12.403 -16.066 244 3HD1 ILE 30 HD13 ILE 30 -12.838 -12.595 -16.291 245 H ASN 31 HN ASN 31 -13.773 -16.028 -10.938 246 HA ASN 31 HA ASN 31 -11.337 -17.658 -11.006 247 1HB ASN 31 HB2 ASN 31 -11.375 -16.150 -8.915 248 2HB ASN 31 HB1 ASN 31 -12.674 -17.193 -8.345 249 1HD2 ASN 31 HD22 ASN 31 -10.252 -19.295 -6.956 250 2HD2 ASN 31 HD21 ASN 31 -11.690 -18.330 -6.754 251 H ASN 32 HN ASN 32 -13.260 -18.419 -12.507 252 HA ASN 32 HA ASN 32 -14.586 -20.170 -13.098 253 1HB ASN 32 HB2 ASN 32 -13.791 -21.359 -10.422 254 2HB ASN 32 HB1 ASN 32 -14.557 -22.220 -11.750 255 1HD2 ASN 32 HD22 ASN 32 -11.627 -22.563 -13.663 256 2HD2 ASN 32 HD21 ASN 32 -13.368 -22.649 -13.642 257 H GLN 33 HN GLN 33 -16.645 -19.578 -13.268 258 HA GLN 33 HA GLN 33 -18.860 -19.406 -12.844 259 1HB GLN 33 HB2 GLN 33 -17.979 -21.435 -11.034 260 2HB GLN 33 HB1 GLN 33 -19.201 -20.465 -10.223 261 1HG GLN 33 HG2 GLN 33 -20.531 -22.014 -11.301 262 2HG GLN 33 HG1 GLN 33 -20.496 -20.736 -12.513 263 1HE2 GLN 33 HE22 GLN 33 -18.207 -22.535 -14.665 264 2HE2 GLN 33 HE21 GLN 33 -18.527 -20.943 -14.051 265 H GLU 34 HN GLU 34 -16.632 -17.941 -10.680 266 HA GLU 34 HA GLU 34 -18.602 -15.873 -10.060 267 1HB GLU 34 HB2 GLU 34 -18.032 -15.857 -7.675 268 2HB GLU 34 HB1 GLU 34 -18.707 -17.410 -8.156 269 1HG GLU 34 HG2 GLU 34 -16.598 -18.485 -8.083 270 2HG GLU 34 HG1 GLU 34 -15.728 -16.953 -8.017 271 H MET 35 HN MET 35 -17.462 -14.032 -8.821 272 HA MET 35 HA MET 35 -14.652 -13.701 -9.578 273 1HB MET 35 HB2 MET 35 -15.120 -11.500 -10.631 274 2HB MET 35 HB1 MET 35 -15.810 -12.843 -11.532 275 1HG MET 35 HG2 MET 35 -18.008 -12.393 -10.596 276 2HG MET 35 HG1 MET 35 -17.350 -11.095 -9.607 277 1HE MET 35 HE3 MET 35 -19.338 -9.916 -10.437 278 2HE MET 35 HE2 MET 35 -19.260 -8.826 -11.819 279 3HE MET 35 HE1 MET 35 -19.910 -10.448 -12.024 280 H GLY 36 HN GLY 36 -13.624 -11.990 -8.475 281 1HA GLY 36 HA2 GLY 36 -15.057 -11.002 -6.069 282 2HA GLY 36 HA1 GLY 36 -13.388 -11.556 -6.033 283 H PHE 37 HN PHE 37 -14.810 -8.875 -5.601 284 HA PHE 37 HA PHE 37 -13.435 -7.198 -7.587 285 1HB PHE 37 HB2 PHE 37 -15.514 -6.560 -5.489 286 2HB PHE 37 HB1 PHE 37 -14.735 -5.349 -6.499 287 HD1 PHE 37 HD1 PHE 37 -15.039 -5.430 -8.982 288 HD2 PHE 37 HD2 PHE 37 -17.314 -7.885 -6.326 289 HE1 PHE 37 HE1 PHE 37 -16.707 -5.819 -10.749 290 HE2 PHE 37 HE2 PHE 37 -18.975 -8.259 -8.101 291 HZ PHE 37 HZ PHE 37 -18.670 -7.228 -10.311 292 H TYR 38 HN TYR 38 -11.628 -6.189 -7.143 293 HA TYR 38 HA TYR 38 -10.716 -5.866 -4.334 294 1HB TYR 38 HB2 TYR 38 -9.072 -6.560 -6.793 295 2HB TYR 38 HB1 TYR 38 -8.415 -6.227 -5.200 296 HD1 TYR 38 HD2 TYR 38 -10.741 -8.530 -6.972 297 HD2 TYR 38 HD1 TYR 38 -8.103 -7.971 -3.676 298 HE1 TYR 38 HE2 TYR 38 -10.968 -10.904 -6.396 299 HE2 TYR 38 HE1 TYR 38 -8.332 -10.352 -3.093 300 HH TYR 38 HH TYR 38 -9.032 -12.386 -3.856 301 H LYS 39 HN LYS 39 -9.109 -3.996 -4.129 302 HA LYS 39 HA LYS 39 -10.154 -1.677 -5.330 303 1HB LYS 39 HB2 LYS 39 -7.471 -1.649 -4.042 304 2HB LYS 39 HB1 LYS 39 -8.827 -0.569 -3.893 305 1HG LYS 39 HG2 LYS 39 -9.985 -2.599 -2.708 306 2HG LYS 39 HG1 LYS 39 -8.324 -3.112 -2.433 307 1HD LYS 39 HD2 LYS 39 -7.908 -1.437 -0.951 308 2HD LYS 39 HD1 LYS 39 -8.892 -0.272 -1.819 309 1HE LYS 39 HE2 LYS 39 -10.122 -0.532 0.119 310 2HE LYS 39 HE1 LYS 39 -10.910 -1.696 -0.938 311 1HZ LYS 39 HZ3 LYS 39 -8.718 -2.470 0.898 312 2HZ LYS 39 HZ2 LYS 39 -10.353 -2.457 1.381 313 3HZ LYS 39 HZ1 LYS 39 -9.841 -3.477 0.115 314 H ASP 40 HN ASP 40 -6.966 -3.300 -5.754 315 HA ASP 40 HA ASP 40 -6.905 -2.497 -8.538 316 1HB ASP 40 HB2 ASP 40 -4.730 -1.336 -8.408 317 2HB ASP 40 HB1 ASP 40 -6.004 -0.474 -7.565 318 H ALA 41 HN ALA 41 -4.247 -2.965 -9.109 319 HA ALA 41 HA ALA 41 -4.145 -5.779 -9.324 320 1HB ALA 41 HB3 ALA 41 -3.024 -4.106 -10.840 321 2HB ALA 41 HB2 ALA 41 -1.789 -3.901 -9.597 322 3HB ALA 41 HB1 ALA 41 -2.014 -5.474 -10.367 323 H LYS 42 HN LYS 42 -2.659 -3.590 -6.971 324 HA LYS 42 HA LYS 42 -0.938 -5.549 -5.752 325 1HB LYS 42 HB2 LYS 42 -2.017 -3.010 -4.507 326 2HB LYS 42 HB1 LYS 42 -0.582 -3.908 -4.027 327 1HG LYS 42 HG2 LYS 42 0.441 -3.418 -6.222 328 2HG LYS 42 HG1 LYS 42 -0.978 -2.476 -6.668 329 1HD LYS 42 HD2 LYS 42 0.259 -1.713 -4.095 330 2HD LYS 42 HD1 LYS 42 1.269 -1.443 -5.513 331 1HE LYS 42 HE2 LYS 42 -0.036 0.552 -5.055 332 2HE LYS 42 HE1 LYS 42 -0.574 -0.171 -6.566 333 1HZ LYS 42 HZ2 LYS 42 -1.915 -0.535 -3.940 334 2HZ LYS 42 HZ1 LYS 42 -2.415 0.549 -5.157 335 3HZ LYS 42 HZ3 LYS 42 -2.456 -1.126 -5.451 336 H SER 43 HN SER 43 -4.211 -4.388 -5.194 337 HA SER 43 HA SER 43 -4.719 -5.773 -2.756 338 1HB SER 43 HB2 SER 43 -6.785 -5.025 -4.818 339 2HB SER 43 HB1 SER 43 -6.984 -5.150 -3.072 340 HG SER 43 HG SER 43 -5.309 -3.387 -3.030 341 H ALA 44 HN ALA 44 -5.284 -6.544 -6.171 342 HA ALA 44 HA ALA 44 -6.617 -9.030 -5.761 343 1HB ALA 44 HB1 ALA 44 -5.091 -8.002 -8.168 344 2HB ALA 44 HB3 ALA 44 -6.152 -9.412 -8.162 345 3HB ALA 44 HB2 ALA 44 -6.818 -7.806 -7.863 346 H ALA 45 HN ALA 45 -3.212 -8.190 -6.353 347 HA ALA 45 HA ALA 45 -2.222 -10.852 -6.536 348 1HB ALA 45 HB1 ALA 45 -0.993 -8.936 -7.421 349 2HB ALA 45 HB3 ALA 45 -0.790 -8.292 -5.791 350 3HB ALA 45 HB2 ALA 45 -0.010 -9.809 -6.245 351 H SER 46 HN SER 46 -2.113 -8.503 -3.837 352 HA SER 46 HA SER 46 -0.963 -10.332 -1.972 353 1HB SER 46 HB2 SER 46 -1.085 -7.706 -1.955 354 2HB SER 46 HB1 SER 46 -2.593 -7.971 -1.090 355 HG SER 46 HG SER 46 0.046 -8.757 -0.368 356 H GLY 47 HN GLY 47 -4.295 -9.262 -2.586 357 1HA GLY 47 HA2 GLY 47 -6.141 -10.793 -2.418 358 2HA GLY 47 HA1 GLY 47 -5.310 -11.614 -1.103 359 H ILE 48 HN ILE 48 -6.177 -8.244 -1.823 360 HA ILE 48 HA ILE 48 -7.371 -7.974 0.881 361 HB ILE 48 HB ILE 48 -6.133 -5.886 -0.927 362 1HG1 ILE 48 HG12 ILE 48 -5.187 -6.712 1.814 363 2HG1 ILE 48 HG11 ILE 48 -4.612 -7.503 0.351 364 1HG2 ILE 48 HG23 ILE 48 -7.665 -5.650 1.642 365 2HG2 ILE 48 HG22 ILE 48 -6.390 -4.492 1.256 366 3HG2 ILE 48 HG21 ILE 48 -7.772 -4.670 0.177 367 1HD1 ILE 48 HD11 ILE 48 -4.473 -4.515 0.712 368 2HD1 ILE 48 HD13 ILE 48 -3.184 -5.596 1.242 369 3HD1 ILE 48 HD12 ILE 48 -3.618 -5.517 -0.464 370 HA PRO 49 HA PRO 49 -11.127 -7.795 -1.616 371 1HB PRO 49 HB2 PRO 49 -12.872 -7.422 0.450 372 2HB PRO 49 HB1 PRO 49 -12.188 -8.990 -0.007 373 1HG PRO 49 HG2 PRO 49 -11.353 -7.122 2.175 374 2HG PRO 49 HG1 PRO 49 -11.511 -8.889 2.205 375 1HD PRO 49 HD2 PRO 49 -9.123 -7.645 1.942 376 2HD PRO 49 HD1 PRO 49 -9.458 -9.214 1.182 377 H TYR 50 HN TYR 50 -12.875 -6.322 -2.032 378 HA TYR 50 HA TYR 50 -12.054 -3.519 -1.809 379 1HB TYR 50 HB2 TYR 50 -12.638 -4.509 -4.012 380 2HB TYR 50 HB1 TYR 50 -14.274 -4.784 -3.439 381 HD1 TYR 50 HD1 TYR 50 -11.840 -1.932 -3.437 382 HD2 TYR 50 HD2 TYR 50 -15.810 -3.273 -4.274 383 HE1 TYR 50 HE1 TYR 50 -12.452 0.329 -4.183 384 HE2 TYR 50 HE2 TYR 50 -16.414 -1.019 -5.015 385 HH TYR 50 HH TYR 50 -15.524 1.000 -5.709 386 H HIS 51 HN HIS 51 -15.043 -2.924 -2.322 387 HA HIS 51 HA HIS 51 -16.238 -3.362 0.310 388 1HB HIS 51 HB2 HIS 51 -15.074 -0.788 -0.619 389 2HB HIS 51 HB1 HIS 51 -16.674 -0.687 0.094 390 HD1 HIS 51 HD1 HIS 51 -16.884 -1.251 2.608 391 HD2 HIS 51 HD2 HIS 51 -12.991 -1.342 1.203 392 HE1 HIS 51 HE1 HIS 51 -15.450 -1.344 4.664 393 H SER 52 HN SER 52 -18.429 -3.333 0.236 394 HA SER 52 HA SER 52 -20.561 -3.308 -0.563 395 1HB SER 52 HB2 SER 52 -19.609 -1.329 -2.649 396 2HB SER 52 HB1 SER 52 -21.263 -1.601 -2.107 397 HG SER 52 HG SER 52 -20.413 -0.999 0.067 398 H GLU 53 HN GLU 53 -20.502 -5.435 -1.193 399 HA GLU 53 HA GLU 53 -20.861 -7.193 -2.615 400 1HB GLU 53 HB2 GLU 53 -20.744 -5.213 -4.907 401 2HB GLU 53 HB1 GLU 53 -21.392 -6.843 -4.952 402 1HG GLU 53 HG2 GLU 53 -22.515 -4.608 -3.237 403 2HG GLU 53 HG1 GLU 53 -23.141 -5.066 -4.817 404 H VAL 54 HN VAL 54 -18.738 -7.853 -1.885 405 HA VAL 54 HA VAL 54 -16.522 -7.379 -3.751 406 HB VAL 54 HB VAL 54 -16.152 -9.128 -1.366 407 1HG1 VAL 54 HG11 VAL 54 -14.350 -8.587 -2.994 408 2HG1 VAL 54 HG13 VAL 54 -14.487 -6.897 -2.507 409 3HG1 VAL 54 HG12 VAL 54 -13.988 -8.115 -1.335 410 1HG2 VAL 54 HG22 VAL 54 -16.657 -6.155 -1.220 411 2HG2 VAL 54 HG21 VAL 54 -17.419 -7.438 -0.275 412 3HG2 VAL 54 HG23 VAL 54 -15.728 -7.026 -0.002 413 HA PRO 55 HA PRO 55 -17.037 -12.045 -4.382 414 1HB PRO 55 HB2 PRO 55 -18.557 -13.535 -2.685 415 2HB PRO 55 HB1 PRO 55 -16.893 -13.060 -2.326 416 1HG PRO 55 HG2 PRO 55 -19.360 -12.175 -1.065 417 2HG PRO 55 HG1 PRO 55 -17.688 -11.902 -0.550 418 1HD PRO 55 HD2 PRO 55 -19.493 -10.117 -2.030 419 2HD PRO 55 HD1 PRO 55 -17.987 -9.738 -1.180 420 H VAL 56 HN VAL 56 -18.215 -12.067 -6.286 421 HA VAL 56 HA VAL 56 -21.164 -12.309 -6.099 422 HB VAL 56 HB VAL 56 -19.612 -10.677 -8.114 423 1HG1 VAL 56 HG12 VAL 56 -22.355 -11.713 -8.091 424 2HG1 VAL 56 HG11 VAL 56 -22.246 -9.977 -8.376 425 3HG1 VAL 56 HG13 VAL 56 -21.386 -11.099 -9.433 426 1HG2 VAL 56 HG21 VAL 56 -21.332 -9.892 -5.763 427 2HG2 VAL 56 HG23 VAL 56 -19.655 -9.444 -6.085 428 3HG2 VAL 56 HG22 VAL 56 -20.956 -8.778 -7.077 429 H SER 57 HN SER 57 -22.037 -13.877 -7.310 430 HA SER 57 HA SER 57 -20.239 -15.653 -8.777 431 1HB SER 57 HB2 SER 57 -22.789 -15.906 -7.345 432 2HB SER 57 HB1 SER 57 -22.663 -16.880 -8.799 433 HG SER 57 HG SER 57 -20.810 -16.843 -6.621 434 H LEU 58 HN LEU 58 -20.667 -16.371 -10.873 435 HA LEU 58 HA LEU 58 -22.247 -14.509 -12.551 436 1HB LEU 58 HB2 LEU 58 -19.913 -16.317 -13.246 437 2HB LEU 58 HB1 LEU 58 -20.805 -15.339 -14.408 438 HG LEU 58 HG LEU 58 -19.379 -14.206 -12.003 439 1HD1 LEU 58 HD23 LEU 58 -18.434 -14.404 -14.869 440 2HD1 LEU 58 HD22 LEU 58 -17.639 -13.476 -13.592 441 3HD1 LEU 58 HD21 LEU 58 -17.742 -15.233 -13.473 442 1HD2 LEU 58 HD13 LEU 58 -21.047 -13.086 -14.160 443 2HD2 LEU 58 HD12 LEU 58 -20.718 -12.472 -12.538 444 3HD2 LEU 58 HD11 LEU 58 -19.551 -12.208 -13.833 445 H LYS 59 HN LYS 59 -23.735 -16.365 -11.226 446 HA LYS 59 HA LYS 59 -24.132 -18.738 -12.874 447 1HB LYS 59 HB2 LYS 59 -24.537 -18.192 -10.204 448 2HB LYS 59 HB1 LYS 59 -26.172 -18.079 -10.837 449 1HG LYS 59 HG2 LYS 59 -24.408 -20.420 -11.527 450 2HG LYS 59 HG1 LYS 59 -25.295 -20.374 -10.007 451 1HD LYS 59 HD2 LYS 59 -27.242 -19.687 -11.824 452 2HD LYS 59 HD1 LYS 59 -26.269 -20.830 -12.748 453 1HE LYS 59 HE2 LYS 59 -27.390 -21.373 -9.986 454 2HE LYS 59 HE1 LYS 59 -28.152 -21.892 -11.484 455 1HZ LYS 59 HZ2 LYS 59 -25.371 -22.642 -11.246 456 2HZ LYS 59 HZ1 LYS 59 -26.390 -23.343 -10.072 457 3HZ LYS 59 HZ3 LYS 59 -26.719 -23.568 -11.727 458 H GLU 60 HN GLU 60 -24.905 -18.187 -14.842 459 HA GLU 60 HA GLU 60 -26.389 -17.553 -16.467 460 1HB GLU 60 HB2 GLU 60 -28.358 -16.992 -14.240 461 2HB GLU 60 HB1 GLU 60 -28.718 -17.249 -15.939 462 1HG GLU 60 HG2 GLU 60 -28.094 -19.560 -15.815 463 2HG GLU 60 HG1 GLU 60 -27.429 -19.356 -14.196 464 H ALA 61 HN ALA 61 -24.531 -15.694 -15.753 465 HA ALA 61 HA ALA 61 -25.745 -13.124 -15.188 466 1HB ALA 61 HB3 ALA 61 -22.946 -14.033 -15.851 467 2HB ALA 61 HB2 ALA 61 -23.370 -12.321 -15.795 468 3HB ALA 61 HB1 ALA 61 -23.556 -13.323 -14.354 469 H ILE 62 HN ILE 62 -27.102 -12.453 -16.770 470 HA ILE 62 HA ILE 62 -26.572 -12.811 -19.582 471 HB ILE 62 HB ILE 62 -28.538 -10.931 -18.252 472 1HG1 ILE 62 HG12 ILE 62 -28.970 -13.769 -19.217 473 2HG1 ILE 62 HG11 ILE 62 -28.885 -13.268 -17.531 474 1HG2 ILE 62 HG22 ILE 62 -27.911 -11.606 -21.043 475 2HG2 ILE 62 HG21 ILE 62 -29.626 -11.724 -20.644 476 3HG2 ILE 62 HG23 ILE 62 -28.760 -10.210 -20.379 477 1HD1 ILE 62 HD12 ILE 62 -30.798 -11.574 -18.671 478 2HD1 ILE 62 HD11 ILE 62 -31.126 -13.165 -19.360 479 3HD1 ILE 62 HD13 ILE 62 -31.101 -12.954 -17.610 480 H CYS 63 HN CYS 63 -25.505 -11.463 -20.928 481 HA CYS 63 HA CYS 63 -24.574 -8.861 -19.844 482 1HB CYS 63 HB2 CYS 63 -22.922 -10.890 -20.057 483 2HB CYS 63 HB1 CYS 63 -22.925 -10.469 -21.766 484 HG CYS 63 HG CYS 63 -21.993 -8.502 -19.533 485 H GLU 64 HN GLU 64 -25.316 -7.215 -20.968 486 HA GLU 64 HA GLU 64 -25.987 -7.535 -23.847 487 1HB GLU 64 HB2 GLU 64 -27.106 -5.570 -21.832 488 2HB GLU 64 HB1 GLU 64 -27.586 -5.714 -23.523 489 1HG GLU 64 HG2 GLU 64 -28.386 -8.012 -23.081 490 2HG GLU 64 HG1 GLU 64 -27.937 -7.832 -21.383 491 H VAL 65 HN VAL 65 -24.944 -6.223 -25.271 492 HA VAL 65 HA VAL 65 -22.787 -4.547 -24.305 493 HB VAL 65 HB VAL 65 -23.794 -4.978 -27.124 494 1HG1 VAL 65 HG12 VAL 65 -21.459 -3.549 -25.950 495 2HG1 VAL 65 HG11 VAL 65 -21.200 -4.461 -27.437 496 3HG1 VAL 65 HG13 VAL 65 -22.411 -3.181 -27.392 497 1HG2 VAL 65 HG23 VAL 65 -22.194 -6.671 -25.327 498 2HG2 VAL 65 HG22 VAL 65 -23.108 -7.098 -26.773 499 3HG2 VAL 65 HG21 VAL 65 -21.486 -6.421 -26.924 500 H ALA 66 HN ALA 66 -22.835 -2.433 -23.992 501 HA ALA 66 HA ALA 66 -25.114 -0.823 -24.999 502 1HB ALA 66 HB1 ALA 66 -25.098 -1.198 -22.501 503 2HB ALA 66 HB3 ALA 66 -23.555 -0.346 -22.442 504 3HB ALA 66 HB2 ALA 66 -25.006 0.497 -22.983 505 H LEU 67 HN LEU 67 -23.802 -0.544 -26.882 506 HA LEU 67 HA LEU 67 -21.220 0.711 -26.792 507 1HB LEU 67 HB2 LEU 67 -22.223 -0.783 -28.637 508 2HB LEU 67 HB1 LEU 67 -23.058 0.666 -29.187 509 HG LEU 67 HG LEU 67 -20.524 1.617 -28.924 510 1HD1 LEU 67 HD11 LEU 67 -19.610 -0.566 -28.336 511 2HD1 LEU 67 HD13 LEU 67 -20.253 -1.253 -29.828 512 3HD1 LEU 67 HD12 LEU 67 -18.988 -0.022 -29.895 513 1HD2 LEU 67 HD22 LEU 67 -21.813 0.292 -31.306 514 2HD2 LEU 67 HD21 LEU 67 -21.845 2.003 -30.872 515 3HD2 LEU 67 HD23 LEU 67 -20.338 1.253 -31.404 516 H ASP 68 HN ASP 68 -24.540 1.886 -27.275 517 HA ASP 68 HA ASP 68 -23.587 4.619 -27.708 518 1HB ASP 68 HB2 ASP 68 -25.564 3.465 -28.927 519 2HB ASP 68 HB1 ASP 68 -26.482 3.835 -27.468 520 H TYR 69 HN TYR 69 -22.918 3.602 -25.190 521 HA TYR 69 HA TYR 69 -24.586 5.242 -23.361 522 1HB TYR 69 HB2 TYR 69 -24.248 2.606 -23.043 523 2HB TYR 69 HB1 TYR 69 -22.742 3.124 -22.311 524 HD1 TYR 69 HD1 TYR 69 -26.438 3.476 -22.140 525 HD2 TYR 69 HD2 TYR 69 -22.718 4.013 -20.104 526 HE1 TYR 69 HE1 TYR 69 -27.646 3.942 -20.048 527 HE2 TYR 69 HE2 TYR 69 -23.939 4.488 -18.019 528 HH TYR 69 HH TYR 69 -26.891 3.664 -17.381 529 H LYS 70 HN LYS 70 -22.718 6.295 -25.069 530 HA LYS 70 HA LYS 70 -21.370 8.215 -24.644 531 1HB LYS 70 HB2 LYS 70 -19.949 6.499 -22.584 532 2HB LYS 70 HB1 LYS 70 -19.457 8.107 -23.087 533 1HG LYS 70 HG2 LYS 70 -22.267 7.853 -22.193 534 2HG LYS 70 HG1 LYS 70 -21.035 7.676 -20.950 535 1HD LYS 70 HD2 LYS 70 -20.249 9.855 -21.262 536 2HD LYS 70 HD1 LYS 70 -20.922 9.955 -22.885 537 1HE LYS 70 HE2 LYS 70 -22.158 11.335 -21.225 538 2HE LYS 70 HE1 LYS 70 -23.165 10.136 -22.025 539 1HZ LYS 70 HZ1 LYS 70 -22.833 8.685 -20.067 540 2HZ LYS 70 HZ3 LYS 70 -22.008 9.968 -19.296 541 3HZ LYS 70 HZ2 LYS 70 -23.654 10.136 -19.707 542 H LYS 71 HN LYS 71 -19.647 8.643 -25.952 543 HA LYS 71 HA LYS 71 -18.820 6.590 -27.764 544 1HB LYS 71 HB2 LYS 71 -17.928 9.467 -27.425 545 2HB LYS 71 HB1 LYS 71 -17.268 8.399 -28.661 546 1HG LYS 71 HG2 LYS 71 -20.213 9.024 -28.336 547 2HG LYS 71 HG1 LYS 71 -19.139 9.820 -29.483 548 1HD LYS 71 HD2 LYS 71 -18.635 7.220 -30.082 549 2HD LYS 71 HD1 LYS 71 -20.310 7.102 -29.557 550 1HE LYS 71 HE2 LYS 71 -19.254 8.946 -31.715 551 2HE LYS 71 HE1 LYS 71 -20.151 7.456 -31.985 552 1HZ LYS 71 HZ2 LYS 71 -21.883 8.645 -30.450 553 2HZ LYS 71 HZ1 LYS 71 -21.110 10.051 -31.024 554 3HZ LYS 71 HZ3 LYS 71 -21.821 8.957 -32.122 555 H LYS 72 HN LYS 72 -16.964 5.528 -27.990 556 HA LYS 72 HA LYS 72 -14.978 4.495 -27.491 557 1HB LYS 72 HB2 LYS 72 -14.413 7.019 -25.915 558 2HB LYS 72 HB1 LYS 72 -13.238 5.769 -26.290 559 1HG LYS 72 HG2 LYS 72 -14.036 6.222 -28.775 560 2HG LYS 72 HG1 LYS 72 -14.519 7.774 -28.100 561 1HD LYS 72 HD2 LYS 72 -12.338 8.168 -28.855 562 2HD LYS 72 HD1 LYS 72 -12.127 7.869 -27.131 563 1HE LYS 72 HE2 LYS 72 -11.774 5.377 -27.900 564 2HE LYS 72 HE1 LYS 72 -11.441 6.105 -29.467 565 1HZ LYS 72 HZ2 LYS 72 -10.047 7.442 -27.375 566 2HZ LYS 72 HZ1 LYS 72 -9.672 5.782 -27.403 567 3HZ LYS 72 HZ3 LYS 72 -9.449 6.723 -28.802 568 H LYS 73 HN LYS 73 -13.670 3.614 -25.633 569 HA LYS 73 HA LYS 73 -13.474 2.477 -23.659 570 1HB LYS 73 HB2 LYS 73 -15.832 4.083 -22.627 571 2HB LYS 73 HB1 LYS 73 -14.666 3.184 -21.677 572 1HG LYS 73 HG2 LYS 73 -13.295 4.935 -21.592 573 2HG LYS 73 HG1 LYS 73 -13.233 5.025 -23.345 574 1HD LYS 73 HD2 LYS 73 -14.145 7.087 -22.968 575 2HD LYS 73 HD1 LYS 73 -15.646 6.168 -22.939 576 1HE LYS 73 HE2 LYS 73 -15.708 7.537 -21.006 577 2HE LYS 73 HE1 LYS 73 -15.297 5.926 -20.432 578 1HZ LYS 73 HZ2 LYS 73 -12.933 7.346 -21.069 579 2HZ LYS 73 HZ1 LYS 73 -13.894 8.274 -20.002 580 3HZ LYS 73 HZ3 LYS 73 -13.431 6.691 -19.571 581 H HIS 74 HN HIS 74 -16.930 3.010 -24.286 582 HA HIS 74 HA HIS 74 -18.665 1.629 -24.772 583 1HB HIS 74 HB2 HIS 74 -16.614 -0.590 -25.023 584 2HB HIS 74 HB1 HIS 74 -18.301 -0.685 -25.498 585 HD1 HIS 74 HD1 HIS 74 -17.687 2.510 -26.531 586 HD2 HIS 74 HD2 HIS 74 -16.288 -1.113 -27.936 587 HE1 HIS 74 HE1 HIS 74 -16.916 2.980 -28.856 588 H VAL 75 HN VAL 75 -20.171 0.560 -23.622 589 HA VAL 75 HA VAL 75 -19.362 -0.509 -20.976 590 HB VAL 75 HB VAL 75 -21.887 0.993 -21.684 591 1HG1 VAL 75 HG12 VAL 75 -20.837 -0.193 -19.151 592 2HG1 VAL 75 HG11 VAL 75 -21.829 1.262 -19.081 593 3HG1 VAL 75 HG13 VAL 75 -22.475 -0.210 -19.811 594 1HG2 VAL 75 HG22 VAL 75 -19.232 1.978 -20.954 595 2HG2 VAL 75 HG21 VAL 75 -20.594 2.822 -21.686 596 3HG2 VAL 75 HG23 VAL 75 -20.528 2.607 -19.938 597 H PHE 76 HN PHE 76 -20.769 -2.134 -20.103 598 HA PHE 76 HA PHE 76 -22.692 -3.376 -21.906 599 1HB PHE 76 HB2 PHE 76 -21.801 -5.636 -21.546 600 2HB PHE 76 HB1 PHE 76 -20.699 -4.618 -22.449 601 HD1 PHE 76 HD2 PHE 76 -21.266 -6.366 -19.277 602 HD2 PHE 76 HD1 PHE 76 -18.556 -3.962 -21.541 603 HE1 PHE 76 HE2 PHE 76 -19.477 -6.866 -17.660 604 HE2 PHE 76 HE1 PHE 76 -16.760 -4.461 -19.924 605 HZ PHE 76 HZ PHE 76 -17.173 -6.104 -18.104 606 H LYS 77 HN LYS 77 -24.386 -4.218 -20.852 607 HA LYS 77 HA LYS 77 -24.540 -3.657 -17.982 608 1HB LYS 77 HB2 LYS 77 -26.301 -2.823 -19.495 609 2HB LYS 77 HB1 LYS 77 -26.710 -4.484 -19.918 610 1HG LYS 77 HG2 LYS 77 -27.691 -4.917 -17.882 611 2HG LYS 77 HG1 LYS 77 -26.659 -3.780 -17.019 612 1HD LYS 77 HD2 LYS 77 -28.560 -2.540 -16.951 613 2HD LYS 77 HD1 LYS 77 -28.038 -2.043 -18.556 614 1HE LYS 77 HE2 LYS 77 -29.909 -4.357 -18.024 615 2HE LYS 77 HE1 LYS 77 -30.447 -2.731 -18.426 616 1HZ LYS 77 HZ3 LYS 77 -28.670 -3.251 -20.377 617 2HZ LYS 77 HZ2 LYS 77 -29.358 -4.794 -20.121 618 3HZ LYS 77 HZ1 LYS 77 -30.358 -3.477 -20.508 619 H LEU 78 HN LEU 78 -24.349 -5.145 -16.506 620 HA LEU 78 HA LEU 78 -24.485 -7.999 -17.225 621 1HB LEU 78 HB2 LEU 78 -22.780 -6.423 -15.476 622 2HB LEU 78 HB1 LEU 78 -23.510 -7.757 -14.602 623 HG LEU 78 HG LEU 78 -21.903 -7.934 -17.139 624 1HD1 LEU 78 HD21 LEU 78 -21.332 -8.364 -14.272 625 2HD1 LEU 78 HD23 LEU 78 -20.639 -9.527 -15.401 626 3HD1 LEU 78 HD22 LEU 78 -20.272 -7.806 -15.567 627 1HD2 LEU 78 HD11 LEU 78 -23.849 -9.771 -16.029 628 2HD2 LEU 78 HD13 LEU 78 -22.987 -9.844 -17.570 629 3HD2 LEU 78 HD12 LEU 78 -22.249 -10.500 -16.107 630 H ARG 79 HN ARG 79 -26.326 -8.950 -16.796 631 HA ARG 79 HA ARG 79 -28.088 -7.939 -14.629 632 1HB ARG 79 HB2 ARG 79 -28.548 -9.096 -17.324 633 2HB ARG 79 HB1 ARG 79 -29.660 -9.631 -16.070 634 1HG ARG 79 HG2 ARG 79 -30.473 -7.478 -15.685 635 2HG ARG 79 HG1 ARG 79 -29.077 -6.712 -16.444 636 1HD ARG 79 HD2 ARG 79 -29.808 -7.282 -18.620 637 2HD ARG 79 HD1 ARG 79 -30.989 -8.443 -18.006 638 HE ARG 79 HE ARG 79 -31.451 -5.702 -17.128 639 1HH1 ARG 79 HH21 ARG 79 -31.368 -6.414 -20.301 640 2HH1 ARG 79 HH22 ARG 79 -33.088 -6.410 -20.609 641 1HH2 ARG 79 HH11 ARG 79 -33.967 -6.489 -17.197 642 2HH2 ARG 79 HH12 ARG 79 -34.569 -6.493 -18.840 643 H LEU 80 HN LEU 80 -27.368 -9.067 -12.846 644 HA LEU 80 HA LEU 80 -26.656 -11.823 -12.876 645 1HB LEU 80 HB2 LEU 80 -27.300 -9.917 -10.616 646 2HB LEU 80 HB1 LEU 80 -26.696 -11.557 -10.388 647 HG LEU 80 HG LEU 80 -24.831 -10.807 -12.021 648 1HD1 LEU 80 HD23 LEU 80 -25.972 -8.217 -11.140 649 2HD1 LEU 80 HD22 LEU 80 -24.257 -8.390 -11.512 650 3HD1 LEU 80 HD21 LEU 80 -25.461 -8.740 -12.744 651 1HD2 LEU 80 HD13 LEU 80 -25.107 -10.280 -9.107 652 2HD2 LEU 80 HD12 LEU 80 -24.048 -11.408 -9.955 653 3HD2 LEU 80 HD11 LEU 80 -23.670 -9.686 -9.940 654 H SER 81 HN SER 81 -27.767 -13.548 -12.004 655 HA SER 81 HA SER 81 -30.618 -13.573 -12.431 656 1HB SER 81 HB2 SER 81 -28.650 -15.493 -12.489 657 2HB SER 81 HB1 SER 81 -29.481 -15.880 -10.991 658 HG SER 81 HG SER 81 -30.350 -16.895 -12.963 659 H ASP 82 HN ASP 82 -28.712 -12.607 -9.887 660 HA ASP 82 HA ASP 82 -30.365 -13.368 -7.640 661 1HB ASP 82 HB2 ASP 82 -27.883 -12.946 -7.517 662 2HB ASP 82 HB1 ASP 82 -28.206 -11.240 -7.807 663 H GLY 83 HN GLY 83 -30.309 -10.875 -10.009 664 1HA GLY 83 HA2 GLY 83 -32.503 -9.685 -10.222 665 2HA GLY 83 HA1 GLY 83 -32.299 -9.247 -8.528 666 H ASN 84 HN ASN 84 -29.717 -8.555 -8.327 667 HA ASN 84 HA ASN 84 -29.531 -5.915 -8.952 668 1HB ASN 84 HB2 ASN 84 -27.289 -7.920 -8.616 669 2HB ASN 84 HB1 ASN 84 -27.053 -6.176 -8.650 670 1HD2 ASN 84 HD22 ASN 84 -27.412 -6.177 -5.176 671 2HD2 ASN 84 HD21 ASN 84 -26.402 -5.894 -6.564 672 H GLU 85 HN GLU 85 -28.787 -4.629 -10.501 673 HA GLU 85 HA GLU 85 -27.847 -5.771 -13.075 674 1HB GLU 85 HB2 GLU 85 -29.985 -3.742 -12.465 675 2HB GLU 85 HB1 GLU 85 -29.085 -3.633 -13.983 676 1HG GLU 85 HG2 GLU 85 -29.696 -6.073 -14.350 677 2HG GLU 85 HG1 GLU 85 -30.815 -5.905 -12.999 678 H TYR 86 HN TYR 86 -25.810 -5.039 -13.505 679 HA TYR 86 HA TYR 86 -25.022 -2.321 -12.579 680 1HB TYR 86 HB2 TYR 86 -23.077 -4.611 -12.882 681 2HB TYR 86 HB1 TYR 86 -22.809 -3.047 -12.131 682 HD1 TYR 86 HD1 TYR 86 -23.890 -2.525 -9.959 683 HD2 TYR 86 HD2 TYR 86 -23.933 -6.435 -11.645 684 HE1 TYR 86 HE1 TYR 86 -24.473 -3.454 -7.752 685 HE2 TYR 86 HE2 TYR 86 -24.517 -7.380 -9.447 686 HH TYR 86 HH TYR 86 -25.554 -5.479 -6.824 687 H LEU 87 HN LEU 87 -23.414 -1.269 -13.819 688 HA LEU 87 HA LEU 87 -23.315 -2.022 -16.685 689 1HB LEU 87 HB2 LEU 87 -23.132 0.694 -15.343 690 2HB LEU 87 HB1 LEU 87 -22.778 0.418 -17.041 691 HG LEU 87 HG LEU 87 -25.398 0.306 -15.613 692 1HD1 LEU 87 HD11 LEU 87 -24.535 2.381 -16.724 693 2HD1 LEU 87 HD13 LEU 87 -24.640 1.518 -18.264 694 3HD1 LEU 87 HD12 LEU 87 -26.100 1.819 -17.315 695 1HD2 LEU 87 HD21 LEU 87 -24.684 -1.111 -18.168 696 2HD2 LEU 87 HD23 LEU 87 -25.521 -1.753 -16.754 697 3HD2 LEU 87 HD22 LEU 87 -26.333 -0.597 -17.807 698 H PHE 88 HN PHE 88 -21.346 -2.580 -17.395 699 HA PHE 88 HA PHE 88 -18.982 -1.817 -15.777 700 1HB PHE 88 HB2 PHE 88 -19.698 -4.356 -17.200 701 2HB PHE 88 HB1 PHE 88 -18.009 -3.935 -16.928 702 HD1 PHE 88 HD1 PHE 88 -17.166 -3.626 -14.600 703 HD2 PHE 88 HD2 PHE 88 -21.075 -5.121 -15.447 704 HE1 PHE 88 HE1 PHE 88 -17.311 -4.534 -12.317 705 HE2 PHE 88 HE2 PHE 88 -21.227 -6.024 -13.175 706 HZ PHE 88 HZ PHE 88 -19.352 -5.580 -11.543 707 H GLN 89 HN GLN 89 -17.661 -0.486 -16.762 708 HA GLN 89 HA GLN 89 -17.690 -0.298 -19.720 709 1HB GLN 89 HB2 GLN 89 -18.323 1.807 -19.123 710 2HB GLN 89 HB1 GLN 89 -17.559 1.721 -17.555 711 1HG GLN 89 HG2 GLN 89 -15.368 2.131 -18.531 712 2HG GLN 89 HG1 GLN 89 -16.063 2.100 -20.156 713 1HE2 GLN 89 HE22 GLN 89 -17.585 5.316 -19.871 714 2HE2 GLN 89 HE21 GLN 89 -17.701 3.762 -20.636 715 H ALA 90 HN ALA 90 -15.892 -0.692 -20.810 716 HA ALA 90 HA ALA 90 -13.441 -1.399 -19.321 717 1HB ALA 90 HB1 ALA 90 -14.767 -2.418 -21.727 718 2HB ALA 90 HB3 ALA 90 -13.042 -2.133 -21.972 719 3HB ALA 90 HB2 ALA 90 -13.586 -3.193 -20.673 720 H LYS 91 HN LYS 91 -11.365 -0.916 -20.583 721 HA LYS 91 HA LYS 91 -11.358 1.947 -21.211 722 1HB LYS 91 HB2 LYS 91 -8.872 1.669 -21.046 723 2HB LYS 91 HB1 LYS 91 -9.757 1.275 -19.584 724 1HG LYS 91 HG2 LYS 91 -8.617 -0.646 -19.560 725 2HG LYS 91 HG1 LYS 91 -9.599 -1.158 -20.926 726 1HD LYS 91 HD2 LYS 91 -7.957 -0.208 -22.472 727 2HD LYS 91 HD1 LYS 91 -6.958 0.282 -21.110 728 1HE LYS 91 HE2 LYS 91 -7.645 -2.539 -21.936 729 2HE LYS 91 HE1 LYS 91 -6.071 -1.764 -22.036 730 1HZ LYS 91 HZ1 LYS 91 -6.276 -1.526 -19.523 731 2HZ LYS 91 HZ3 LYS 91 -7.523 -2.684 -19.634 732 3HZ LYS 91 HZ2 LYS 91 -5.943 -3.069 -20.162 733 H ASP 92 HN ASP 92 -11.705 -0.821 -23.011 734 HA ASP 92 HA ASP 92 -11.193 0.505 -25.498 735 1HB ASP 92 HB2 ASP 92 -8.855 -0.151 -24.791 736 2HB ASP 92 HB1 ASP 92 -9.364 -1.834 -24.858 737 H ASP 93 HN ASP 93 -11.894 -0.727 -27.318 738 HA ASP 93 HA ASP 93 -14.166 -2.342 -26.936 739 1HB ASP 93 HB2 ASP 93 -13.750 -1.045 -28.982 740 2HB ASP 93 HB1 ASP 93 -12.389 -2.086 -29.386 741 H GLU 94 HN GLU 94 -10.783 -3.226 -27.551 742 HA GLU 94 HA GLU 94 -11.146 -6.002 -27.973 743 1HB GLU 94 HB2 GLU 94 -8.782 -4.467 -26.870 744 2HB GLU 94 HB1 GLU 94 -8.740 -6.181 -27.282 745 1HG GLU 94 HG2 GLU 94 -9.331 -5.645 -29.609 746 2HG GLU 94 HG1 GLU 94 -9.395 -3.931 -29.210 747 H GLU 95 HN GLU 95 -10.470 -4.156 -25.006 748 HA GLU 95 HA GLU 95 -10.452 -6.379 -23.224 749 1HB GLU 95 HB2 GLU 95 -9.566 -3.992 -22.816 750 2HB GLU 95 HB1 GLU 95 -11.228 -3.576 -22.422 751 1HG GLU 95 HG2 GLU 95 -11.078 -4.522 -20.388 752 2HG GLU 95 HG1 GLU 95 -10.422 -6.014 -21.056 753 H MET 96 HN MET 96 -12.960 -4.110 -24.274 754 HA MET 96 HA MET 96 -15.080 -4.834 -22.605 755 1HB MET 96 HB2 MET 96 -14.995 -2.917 -24.252 756 2HB MET 96 HB1 MET 96 -15.328 -4.080 -25.527 757 1HG MET 96 HG2 MET 96 -17.320 -4.650 -23.733 758 2HG MET 96 HG1 MET 96 -17.127 -2.919 -23.512 759 1HE MET 96 HE2 MET 96 -17.681 -5.800 -25.933 760 2HE MET 96 HE1 MET 96 -18.474 -5.083 -27.333 761 3HE MET 96 HE3 MET 96 -16.726 -4.921 -27.124 762 H ASN 97 HN ASN 97 -14.167 -6.196 -25.771 763 HA ASN 97 HA ASN 97 -16.222 -8.175 -25.856 764 1HB ASN 97 HB2 ASN 97 -14.881 -7.269 -27.818 765 2HB ASN 97 HB1 ASN 97 -13.554 -8.292 -27.280 766 1HD2 ASN 97 HD22 ASN 97 -14.843 -10.829 -29.311 767 2HD2 ASN 97 HD21 ASN 97 -13.525 -9.773 -28.919 768 H THR 98 HN THR 98 -12.841 -8.233 -24.752 769 HA THR 98 HA THR 98 -12.583 -10.993 -24.260 770 HB THR 98 HB THR 98 -11.261 -8.723 -22.756 771 HG1 THR 98 HG1 THR 98 -10.897 -8.491 -24.976 772 1HG2 THR 98 HG22 THR 98 -10.471 -11.617 -23.161 773 2HG2 THR 98 HG21 THR 98 -9.408 -10.377 -22.491 774 3HG2 THR 98 HG23 THR 98 -10.883 -10.830 -21.634 775 H TRP 99 HN TRP 99 -13.735 -8.372 -22.145 776 HA TRP 99 HA TRP 99 -14.110 -9.937 -19.795 777 1HB TRP 99 HB2 TRP 99 -15.093 -7.260 -20.746 778 2HB TRP 99 HB1 TRP 99 -15.775 -7.966 -19.288 779 HD1 TRP 99 HD1 TRP 99 -13.036 -5.740 -20.321 780 HE1 TRP 99 HE1 TRP 99 -11.318 -5.509 -18.451 781 HE3 TRP 99 HE3 TRP 99 -14.452 -9.644 -17.308 782 HZ2 TRP 99 HZ2 TRP 99 -10.619 -6.758 -16.057 783 HZ3 TRP 99 HZ3 TRP 99 -13.192 -10.066 -15.234 784 HH2 TRP 99 HH2 TRP 99 -11.292 -8.630 -14.616 785 H ILE 100 HN ILE 100 -16.459 -8.766 -22.227 786 HA ILE 100 HA ILE 100 -18.764 -9.948 -21.186 787 HB ILE 100 HB ILE 100 -17.983 -9.242 -24.015 788 1HG1 ILE 100 HG12 ILE 100 -19.845 -7.930 -22.023 789 2HG1 ILE 100 HG11 ILE 100 -18.202 -7.409 -22.358 790 1HG2 ILE 100 HG22 ILE 100 -20.568 -10.373 -22.969 791 2HG2 ILE 100 HG21 ILE 100 -20.547 -9.290 -24.360 792 3HG2 ILE 100 HG23 ILE 100 -19.668 -10.818 -24.422 793 1HD1 ILE 100 HD12 ILE 100 -19.469 -7.563 -24.867 794 2HD1 ILE 100 HD11 ILE 100 -20.636 -6.802 -23.781 795 3HD1 ILE 100 HD13 ILE 100 -19.029 -6.103 -23.976 796 H GLN 101 HN GLN 101 -16.443 -11.321 -23.538 797 HA GLN 101 HA GLN 101 -17.858 -13.771 -23.906 798 1HB GLN 101 HB2 GLN 101 -15.018 -12.922 -24.453 799 2HB GLN 101 HB1 GLN 101 -15.564 -14.573 -24.741 800 1HG GLN 101 HG2 GLN 101 -17.491 -13.453 -26.090 801 2HG GLN 101 HG1 GLN 101 -16.453 -12.029 -26.088 802 1HE2 GLN 101 HE22 GLN 101 -15.513 -15.280 -28.362 803 2HE2 GLN 101 HE21 GLN 101 -16.775 -15.347 -27.164 804 H ALA 102 HN ALA 102 -15.210 -12.832 -21.717 805 HA ALA 102 HA ALA 102 -14.686 -15.384 -20.629 806 1HB ALA 102 HB1 ALA 102 -14.364 -12.617 -19.449 807 2HB ALA 102 HB3 ALA 102 -13.764 -14.088 -18.679 808 3HB ALA 102 HB2 ALA 102 -13.130 -13.595 -20.250 809 H ILE 103 HN ILE 103 -16.924 -12.832 -19.584 810 HA ILE 103 HA ILE 103 -17.944 -14.174 -17.286 811 HB ILE 103 HB ILE 103 -19.034 -11.959 -19.022 812 1HG1 ILE 103 HG12 ILE 103 -18.139 -11.652 -16.184 813 2HG1 ILE 103 HG11 ILE 103 -16.922 -11.793 -17.447 814 1HG2 ILE 103 HG22 ILE 103 -20.238 -13.233 -16.580 815 2HG2 ILE 103 HG21 ILE 103 -20.494 -11.522 -16.918 816 3HG2 ILE 103 HG23 ILE 103 -21.019 -12.735 -18.083 817 1HD1 ILE 103 HD12 ILE 103 -18.310 -9.931 -18.639 818 2HD1 ILE 103 HD11 ILE 103 -18.964 -9.638 -17.026 819 3HD1 ILE 103 HD13 ILE 103 -17.229 -9.492 -17.315 820 H SER 104 HN SER 104 -18.790 -14.271 -20.702 821 HA SER 104 HA SER 104 -21.260 -15.738 -20.287 822 1HB SER 104 HB2 SER 104 -19.720 -15.226 -22.841 823 2HB SER 104 HB1 SER 104 -21.388 -15.778 -22.712 824 HG SER 104 HG SER 104 -20.294 -13.239 -22.048 825 H SER 105 HN SER 105 -17.901 -16.524 -20.690 826 HA SER 105 HA SER 105 -18.303 -19.207 -21.684 827 1HB SER 105 HB2 SER 105 -15.882 -17.776 -20.574 828 2HB SER 105 HB1 SER 105 -15.851 -19.446 -21.141 829 HG SER 105 HG SER 105 -15.353 -17.539 -22.670 830 H ALA 106 HN ALA 106 -17.178 -17.898 -18.531 831 HA ALA 106 HA ALA 106 -18.657 -19.843 -17.030 832 1HB ALA 106 HB3 ALA 106 -15.670 -20.233 -17.332 833 2HB ALA 106 HB2 ALA 106 -16.621 -20.956 -16.036 834 3HB ALA 106 HB1 ALA 106 -16.946 -21.388 -17.712 No H/Q in entry = 834 Start of MODEL 48 1 1H MET 1 HT3 MET 1 -8.351 -13.967 -15.479 2 2H MET 1 HT2 MET 1 -9.684 -14.727 -16.229 3 3H MET 1 HT1 MET 1 -8.249 -14.446 -17.107 4 HA MET 1 HA MET 1 -8.686 -12.305 -17.481 5 1HB MET 1 HB2 MET 1 -11.278 -13.734 -17.142 6 2HB MET 1 HB1 MET 1 -11.351 -11.979 -17.286 7 1HG MET 1 HG2 MET 1 -11.552 -13.043 -19.473 8 2HG MET 1 HG1 MET 1 -10.089 -12.074 -19.375 9 1HE MET 1 HE3 MET 1 -9.764 -13.611 -21.734 10 2HE MET 1 HE2 MET 1 -9.435 -15.342 -21.678 11 3HE MET 1 HE1 MET 1 -11.061 -14.751 -21.346 12 H GLU 2 HN GLU 2 -8.034 -10.690 -16.269 13 HA GLU 2 HA GLU 2 -9.642 -9.728 -14.049 14 1HB GLU 2 HB2 GLU 2 -8.242 -10.131 -12.339 15 2HB GLU 2 HB1 GLU 2 -7.727 -11.471 -13.343 16 1HG GLU 2 HG2 GLU 2 -6.405 -8.773 -13.380 17 2HG GLU 2 HG1 GLU 2 -5.891 -10.080 -12.332 18 H GLY 3 HN GLY 3 -9.191 -7.533 -13.495 19 1HA GLY 3 HA2 GLY 3 -7.220 -5.859 -14.333 20 2HA GLY 3 HA1 GLY 3 -8.254 -5.991 -15.754 21 H PHE 4 HN PHE 4 -8.103 -3.579 -14.991 22 HA PHE 4 HA PHE 4 -9.956 -2.785 -12.914 23 1HB PHE 4 HB2 PHE 4 -8.351 -1.323 -14.987 24 2HB PHE 4 HB1 PHE 4 -9.578 -0.489 -14.054 25 HD1 PHE 4 HD1 PHE 4 -9.437 -0.980 -11.430 26 HD2 PHE 4 HD2 PHE 4 -6.175 -1.220 -14.176 27 HE1 PHE 4 HE1 PHE 4 -7.856 -0.622 -9.587 28 HE2 PHE 4 HE2 PHE 4 -4.593 -0.856 -12.328 29 HZ PHE 4 HZ PHE 4 -5.435 -0.549 -10.029 30 H LEU 5 HN LEU 5 -11.974 -1.955 -13.151 31 HA LEU 5 HA LEU 5 -13.221 -1.604 -15.771 32 1HB LEU 5 HB2 LEU 5 -13.899 -3.828 -13.884 33 2HB LEU 5 HB1 LEU 5 -15.225 -2.990 -14.675 34 HG LEU 5 HG LEU 5 -12.932 -4.373 -16.060 35 1HD1 LEU 5 HD11 LEU 5 -15.739 -5.141 -15.398 36 2HD1 LEU 5 HD13 LEU 5 -15.056 -5.687 -16.929 37 3HD1 LEU 5 HD12 LEU 5 -14.272 -6.121 -15.409 38 1HD2 LEU 5 HD21 LEU 5 -15.105 -2.579 -17.030 39 2HD2 LEU 5 HD23 LEU 5 -13.447 -2.767 -17.612 40 3HD2 LEU 5 HD22 LEU 5 -14.670 -3.968 -18.024 41 H ASN 6 HN ASN 6 -14.849 -0.107 -15.689 42 HA ASN 6 HA ASN 6 -15.253 1.344 -13.171 43 1HB ASN 6 HB2 ASN 6 -15.241 2.029 -15.951 44 2HB ASN 6 HB1 ASN 6 -16.836 2.397 -15.316 45 1HD2 ASN 6 HD22 ASN 6 -13.561 4.520 -14.090 46 2HD2 ASN 6 HD21 ASN 6 -13.403 3.032 -14.984 47 H ARG 7 HN ARG 7 -16.955 0.889 -11.863 48 HA ARG 7 HA ARG 7 -19.176 -0.733 -12.980 49 1HB ARG 7 HB2 ARG 7 -17.746 -1.848 -11.299 50 2HB ARG 7 HB1 ARG 7 -18.167 -0.600 -10.131 51 1HG ARG 7 HG2 ARG 7 -20.460 -1.284 -10.097 52 2HG ARG 7 HG1 ARG 7 -20.241 -2.305 -11.515 53 1HD ARG 7 HD2 ARG 7 -20.356 -3.699 -9.521 54 2HD ARG 7 HD1 ARG 7 -18.727 -3.770 -10.191 55 HE ARG 7 HE ARG 7 -18.113 -2.080 -8.428 56 1HH1 ARG 7 HH21 ARG 7 -20.533 -1.392 -7.015 57 2HH1 ARG 7 HH22 ARG 7 -20.657 -2.571 -5.728 58 1HH2 ARG 7 HH11 ARG 7 -18.408 -4.830 -7.199 59 2HH2 ARG 7 HH12 ARG 7 -19.443 -4.514 -5.832 60 H LYS 8 HN LYS 8 -21.187 -0.067 -12.847 61 HA LYS 8 HA LYS 8 -22.026 2.045 -10.975 62 1HB LYS 8 HB2 LYS 8 -21.447 3.216 -13.033 63 2HB LYS 8 HB1 LYS 8 -22.459 2.141 -13.975 64 1HG LYS 8 HG2 LYS 8 -23.894 3.420 -11.766 65 2HG LYS 8 HG1 LYS 8 -23.211 4.583 -12.894 66 1HD LYS 8 HD2 LYS 8 -24.656 4.063 -14.535 67 2HD LYS 8 HD1 LYS 8 -24.550 2.338 -14.221 68 1HE LYS 8 HE2 LYS 8 -26.519 2.371 -13.176 69 2HE LYS 8 HE1 LYS 8 -25.925 3.553 -12.022 70 1HZ LYS 8 HZ3 LYS 8 -26.424 5.038 -14.242 71 2HZ LYS 8 HZ2 LYS 8 -27.685 3.885 -14.253 72 3HZ LYS 8 HZ1 LYS 8 -27.450 4.891 -12.895 73 H HIS 9 HN HIS 9 -23.714 1.154 -9.925 74 HA HIS 9 HA HIS 9 -25.184 -1.069 -11.053 75 1HB HIS 9 HB2 HIS 9 -26.348 -1.179 -8.920 76 2HB HIS 9 HB1 HIS 9 -24.614 -1.088 -8.673 77 HD1 HIS 9 HD1 HIS 9 -26.610 -0.377 -6.457 78 HD2 HIS 9 HD2 HIS 9 -24.884 2.415 -8.980 79 HE1 HIS 9 HE1 HIS 9 -26.685 1.780 -5.193 80 H GLU 10 HN GLU 10 -26.961 -0.963 -12.208 81 HA GLU 10 HA GLU 10 -28.395 1.594 -12.503 82 1HB GLU 10 HB2 GLU 10 -27.626 0.466 -14.547 83 2HB GLU 10 HB1 GLU 10 -28.519 -0.980 -14.101 84 1HG GLU 10 HG2 GLU 10 -29.807 0.217 -15.748 85 2HG GLU 10 HG1 GLU 10 -30.639 0.351 -14.204 86 H TRP 11 HN TRP 11 -28.994 -1.834 -11.780 87 HA TRP 11 HA TRP 11 -31.396 -1.062 -10.274 88 1HB TRP 11 HB2 TRP 11 -32.195 -1.734 -12.500 89 2HB TRP 11 HB1 TRP 11 -31.337 -3.256 -12.368 90 HD1 TRP 11 HD1 TRP 11 -34.300 -1.377 -10.635 91 HE1 TRP 11 HE1 TRP 11 -35.894 -3.155 -9.713 92 HE3 TRP 11 HE3 TRP 11 -31.620 -5.619 -11.728 93 HZ2 TRP 11 HZ2 TRP 11 -36.020 -5.952 -9.462 94 HZ3 TRP 11 HZ3 TRP 11 -32.544 -7.819 -11.102 95 HH2 TRP 11 HH2 TRP 11 -34.719 -7.984 -9.982 96 H GLU 12 HN GLU 12 -31.709 -2.199 -8.489 97 HA GLU 12 HA GLU 12 -30.338 -4.732 -7.971 98 1HB GLU 12 HB2 GLU 12 -29.939 -2.215 -6.331 99 2HB GLU 12 HB1 GLU 12 -29.628 -3.828 -5.696 100 1HG GLU 12 HG2 GLU 12 -28.097 -4.147 -7.739 101 2HG GLU 12 HG1 GLU 12 -28.215 -2.402 -7.952 102 H ALA 13 HN ALA 13 -31.979 -5.970 -7.397 103 HA ALA 13 HA ALA 13 -34.564 -5.436 -6.967 104 1HB ALA 13 HB1 ALA 13 -33.372 -7.689 -7.048 105 2HB ALA 13 HB3 ALA 13 -33.267 -7.558 -5.293 106 3HB ALA 13 HB2 ALA 13 -34.846 -7.583 -6.083 107 H HIS 14 HN HIS 14 -32.219 -5.355 -4.333 108 HA HIS 14 HA HIS 14 -34.279 -4.680 -2.380 109 1HB HIS 14 HB2 HIS 14 -32.540 -4.777 -0.713 110 2HB HIS 14 HB1 HIS 14 -32.485 -6.197 -1.738 111 HD1 HIS 14 HD1 HIS 14 -30.010 -6.209 -0.552 112 HD2 HIS 14 HD2 HIS 14 -30.621 -3.407 -3.533 113 HE1 HIS 14 HE1 HIS 14 -27.715 -5.523 -1.277 114 H ASN 15 HN ASN 15 -32.882 -2.784 -4.630 115 HA ASN 15 HA ASN 15 -33.142 -0.364 -2.943 116 1HB ASN 15 HB2 ASN 15 -30.697 -1.129 -3.356 117 2HB ASN 15 HB1 ASN 15 -30.948 -0.542 -4.998 118 1HD2 ASN 15 HD22 ASN 15 -30.646 2.841 -4.121 119 2HD2 ASN 15 HD21 ASN 15 -30.858 1.644 -5.359 120 H LYS 16 HN LYS 16 -33.834 -1.942 -5.902 121 HA LYS 16 HA LYS 16 -35.137 -1.384 -7.683 122 1HB LYS 16 HB2 LYS 16 -35.545 1.400 -6.564 123 2HB LYS 16 HB1 LYS 16 -36.612 0.454 -7.596 124 1HG LYS 16 HG2 LYS 16 -36.065 0.042 -4.662 125 2HG LYS 16 HG1 LYS 16 -37.582 0.468 -5.436 126 1HD LYS 16 HD2 LYS 16 -37.873 -1.700 -6.338 127 2HD LYS 16 HD1 LYS 16 -36.203 -2.151 -6.025 128 1HE LYS 16 HE2 LYS 16 -37.721 -3.201 -4.410 129 2HE LYS 16 HE1 LYS 16 -36.608 -2.092 -3.612 130 1HZ LYS 16 HZ2 LYS 16 -39.203 -1.049 -4.482 131 2HZ LYS 16 HZ1 LYS 16 -39.163 -2.063 -3.105 132 3HZ LYS 16 HZ3 LYS 16 -38.250 -0.619 -3.134 133 H LYS 17 HN LYS 17 -35.118 1.492 -8.831 134 HA LYS 17 HA LYS 17 -32.712 1.163 -10.383 135 1HB LYS 17 HB2 LYS 17 -34.701 3.446 -10.307 136 2HB LYS 17 HB1 LYS 17 -33.430 3.242 -11.507 137 1HG LYS 17 HG2 LYS 17 -35.668 1.256 -11.022 138 2HG LYS 17 HG1 LYS 17 -35.671 2.470 -12.293 139 1HD LYS 17 HD2 LYS 17 -33.644 0.237 -12.003 140 2HD LYS 17 HD1 LYS 17 -34.984 0.260 -13.137 141 1HE LYS 17 HE2 LYS 17 -32.555 2.051 -13.108 142 2HE LYS 17 HE1 LYS 17 -33.032 0.900 -14.348 143 1HZ LYS 17 HZ2 LYS 17 -35.140 2.391 -14.479 144 2HZ LYS 17 HZ1 LYS 17 -34.126 3.568 -13.772 145 3HZ LYS 17 HZ3 LYS 17 -33.701 2.871 -15.261 146 H ALA 18 HN ALA 18 -30.754 2.094 -10.078 147 HA ALA 18 HA ALA 18 -30.498 4.287 -8.101 148 1HB ALA 18 HB3 ALA 18 -29.948 1.964 -7.191 149 2HB ALA 18 HB2 ALA 18 -28.546 1.997 -8.263 150 3HB ALA 18 HB1 ALA 18 -28.717 3.213 -6.989 151 H SER 19 HN SER 19 -28.378 5.310 -8.154 152 HA SER 19 HA SER 19 -26.650 5.158 -10.421 153 1HB SER 19 HB2 SER 19 -28.858 7.177 -10.394 154 2HB SER 19 HB1 SER 19 -27.262 7.745 -10.878 155 HG SER 19 HG SER 19 -28.773 6.834 -12.563 156 H SER 20 HN SER 20 -27.786 7.886 -8.442 157 HA SER 20 HA SER 20 -26.626 9.361 -7.108 158 1HB SER 20 HB2 SER 20 -25.892 6.787 -5.789 159 2HB SER 20 HB1 SER 20 -26.013 8.359 -5.016 160 HG SER 20 HG SER 20 -28.213 8.340 -5.297 161 H ARG 21 HN ARG 21 -25.021 9.301 -9.234 162 HA ARG 21 HA ARG 21 -22.895 9.738 -9.975 163 1HB ARG 21 HB2 ARG 21 -22.074 9.985 -7.081 164 2HB ARG 21 HB1 ARG 21 -21.371 10.781 -8.481 165 1HG ARG 21 HG2 ARG 21 -22.745 12.523 -8.216 166 2HG ARG 21 HG1 ARG 21 -24.147 11.476 -8.377 167 1HD ARG 21 HD2 ARG 21 -24.123 12.758 -6.241 168 2HD ARG 21 HD1 ARG 21 -24.135 11.013 -5.989 169 HE ARG 21 HE ARG 21 -21.501 12.313 -5.990 170 1HH1 ARG 21 HH11 ARG 21 -24.019 12.494 -3.791 171 2HH1 ARG 21 HH12 ARG 21 -23.206 11.674 -2.476 172 1HH2 ARG 21 HH21 ARG 21 -20.501 10.604 -4.479 173 2HH2 ARG 21 HH22 ARG 21 -21.177 10.606 -2.875 174 H SER 22 HN SER 22 -23.594 6.870 -8.904 175 HA SER 22 HA SER 22 -21.104 5.744 -8.056 176 1HB SER 22 HB2 SER 22 -23.571 4.419 -9.204 177 2HB SER 22 HB1 SER 22 -22.206 3.564 -8.490 178 HG SER 22 HG SER 22 -24.297 4.566 -7.231 179 H TRP 23 HN TRP 23 -19.384 5.628 -9.273 180 HA TRP 23 HA TRP 23 -19.268 4.187 -11.721 181 1HB TRP 23 HB2 TRP 23 -19.399 7.162 -11.898 182 2HB TRP 23 HB1 TRP 23 -18.080 6.420 -12.789 183 HD1 TRP 23 HD1 TRP 23 -21.340 7.644 -13.564 184 HE1 TRP 23 HE1 TRP 23 -22.449 6.361 -15.484 185 HE3 TRP 23 HE3 TRP 23 -18.351 3.492 -13.693 186 HZ2 TRP 23 HZ2 TRP 23 -22.144 3.917 -16.866 187 HZ3 TRP 23 HZ3 TRP 23 -18.811 1.724 -15.334 188 HH2 TRP 23 HH2 TRP 23 -20.686 1.938 -16.917 189 H HIS 24 HN HIS 24 -18.033 3.193 -10.026 190 HA HIS 24 HA HIS 24 -15.468 4.481 -9.347 191 1HB HIS 24 HB2 HIS 24 -16.987 3.657 -7.535 192 2HB HIS 24 HB1 HIS 24 -16.772 2.026 -8.151 193 HD1 HIS 24 HD1 HIS 24 -15.104 4.638 -6.121 194 HD2 HIS 24 HD2 HIS 24 -14.190 0.905 -7.671 195 HE1 HIS 24 HE1 HIS 24 -13.014 3.928 -4.924 196 H ASN 25 HN ASN 25 -13.559 3.641 -9.897 197 HA ASN 25 HA ASN 25 -13.451 1.524 -11.917 198 1HB ASN 25 HB2 ASN 25 -12.164 3.646 -12.171 199 2HB ASN 25 HB1 ASN 25 -11.239 3.229 -10.731 200 1HD2 ASN 25 HD22 ASN 25 -8.891 1.806 -12.889 201 2HD2 ASN 25 HD21 ASN 25 -9.267 3.042 -11.734 202 H VAL 26 HN VAL 26 -13.766 -0.411 -10.921 203 HA VAL 26 HA VAL 26 -12.157 -1.109 -8.542 204 HB VAL 26 HB VAL 26 -13.978 -3.194 -9.190 205 1HG1 VAL 26 HG22 VAL 26 -13.123 -2.555 -6.967 206 2HG1 VAL 26 HG21 VAL 26 -14.176 -1.140 -6.999 207 3HG1 VAL 26 HG23 VAL 26 -14.873 -2.758 -7.011 208 1HG2 VAL 26 HG12 VAL 26 -15.255 -1.607 -10.539 209 2HG2 VAL 26 HG11 VAL 26 -16.142 -2.089 -9.094 210 3HG2 VAL 26 HG13 VAL 26 -15.360 -0.511 -9.155 211 H TYR 27 HN TYR 27 -11.137 -3.181 -8.458 212 HA TYR 27 HA TYR 27 -10.087 -4.072 -11.068 213 1HB TYR 27 HB2 TYR 27 -8.598 -3.364 -9.078 214 2HB TYR 27 HB1 TYR 27 -9.049 -4.900 -8.361 215 HD1 TYR 27 HD2 TYR 27 -8.443 -7.029 -9.517 216 HD2 TYR 27 HD1 TYR 27 -7.014 -3.239 -10.841 217 HE1 TYR 27 HE2 TYR 27 -6.677 -8.147 -10.820 218 HE2 TYR 27 HE1 TYR 27 -5.242 -4.350 -12.130 219 HH TYR 27 HH TYR 27 -4.994 -6.795 -13.212 220 H CYS 28 HN CYS 28 -11.642 -5.417 -11.814 221 HA CYS 28 HA CYS 28 -12.902 -7.410 -10.094 222 1HB CYS 28 HB2 CYS 28 -13.252 -6.916 -13.058 223 2HB CYS 28 HB1 CYS 28 -14.302 -7.865 -12.010 224 HG CYS 28 HG CYS 28 -14.141 -5.024 -10.998 225 H VAL 29 HN VAL 29 -12.458 -9.534 -10.058 226 HA VAL 29 HA VAL 29 -10.609 -10.706 -12.054 227 HB VAL 29 HB VAL 29 -10.489 -11.251 -9.078 228 1HG1 VAL 29 HG12 VAL 29 -8.997 -12.230 -11.465 229 2HG1 VAL 29 HG11 VAL 29 -8.127 -12.058 -9.942 230 3HG1 VAL 29 HG13 VAL 29 -9.541 -13.110 -10.034 231 1HG2 VAL 29 HG23 VAL 29 -9.146 -9.167 -10.699 232 2HG2 VAL 29 HG22 VAL 29 -9.585 -9.174 -8.992 233 3HG2 VAL 29 HG21 VAL 29 -8.149 -10.037 -9.536 234 H ILE 30 HN ILE 30 -11.401 -12.557 -12.886 235 HA ILE 30 HA ILE 30 -13.701 -13.883 -11.572 236 HB ILE 30 HB ILE 30 -12.705 -14.561 -14.331 237 1HG1 ILE 30 HG12 ILE 30 -14.491 -12.208 -13.636 238 2HG1 ILE 30 HG11 ILE 30 -12.908 -12.138 -14.405 239 1HG2 ILE 30 HG22 ILE 30 -14.587 -15.756 -12.934 240 2HG2 ILE 30 HG21 ILE 30 -15.577 -14.410 -13.503 241 3HG2 ILE 30 HG23 ILE 30 -14.785 -15.484 -14.662 242 1HD1 ILE 30 HD11 ILE 30 -15.298 -13.540 -15.611 243 2HD1 ILE 30 HD13 ILE 30 -14.816 -11.888 -15.991 244 3HD1 ILE 30 HD12 ILE 30 -13.740 -13.229 -16.379 245 H ASN 31 HN ASN 31 -13.537 -16.005 -10.884 246 HA ASN 31 HA ASN 31 -11.093 -17.513 -11.517 247 1HB ASN 31 HB2 ASN 31 -10.949 -16.071 -9.299 248 2HB ASN 31 HB1 ASN 31 -11.905 -17.385 -8.625 249 1HD2 ASN 31 HD22 ASN 31 -9.285 -19.831 -9.089 250 2HD2 ASN 31 HD21 ASN 31 -11.010 -19.635 -9.146 251 H ASN 32 HN ASN 32 -13.196 -18.298 -12.722 252 HA ASN 32 HA ASN 32 -14.499 -20.131 -13.142 253 1HB ASN 32 HB2 ASN 32 -12.511 -21.273 -12.002 254 2HB ASN 32 HB1 ASN 32 -13.518 -21.362 -10.562 255 1HD2 ASN 32 HD22 ASN 32 -13.903 -24.146 -13.364 256 2HD2 ASN 32 HD21 ASN 32 -12.579 -23.026 -13.243 257 H GLN 33 HN GLN 33 -16.562 -19.500 -13.033 258 HA GLN 33 HA GLN 33 -18.709 -19.350 -12.350 259 1HB GLN 33 HB2 GLN 33 -19.398 -21.095 -11.182 260 2HB GLN 33 HB1 GLN 33 -17.711 -21.513 -10.924 261 1HG GLN 33 HG2 GLN 33 -17.739 -20.196 -8.813 262 2HG GLN 33 HG1 GLN 33 -19.452 -19.856 -9.071 263 1HE2 GLN 33 HE22 GLN 33 -18.394 -23.266 -7.300 264 2HE2 GLN 33 HE21 GLN 33 -17.345 -21.899 -7.540 265 H GLU 34 HN GLU 34 -16.311 -18.166 -10.056 266 HA GLU 34 HA GLU 34 -18.235 -16.074 -9.248 267 1HB GLU 34 HB2 GLU 34 -17.156 -16.084 -6.998 268 2HB GLU 34 HB1 GLU 34 -18.042 -17.558 -7.373 269 1HG GLU 34 HG2 GLU 34 -16.037 -18.778 -7.801 270 2HG GLU 34 HG1 GLU 34 -15.059 -17.311 -7.777 271 H MET 35 HN MET 35 -17.100 -14.186 -8.247 272 HA MET 35 HA MET 35 -14.423 -13.646 -9.294 273 1HB MET 35 HB2 MET 35 -15.196 -11.496 -10.300 274 2HB MET 35 HB1 MET 35 -15.831 -12.911 -11.124 275 1HG MET 35 HG2 MET 35 -17.955 -12.671 -9.906 276 2HG MET 35 HG1 MET 35 -17.328 -11.246 -9.091 277 1HE MET 35 HE3 MET 35 -16.440 -9.295 -10.174 278 2HE MET 35 HE2 MET 35 -15.940 -9.474 -11.857 279 3HE MET 35 HE1 MET 35 -17.338 -8.474 -11.456 280 H GLY 36 HN GLY 36 -13.722 -11.393 -8.542 281 1HA GLY 36 HA2 GLY 36 -14.908 -10.633 -5.943 282 2HA GLY 36 HA1 GLY 36 -13.192 -11.014 -6.041 283 H PHE 37 HN PHE 37 -14.840 -8.486 -5.509 284 HA PHE 37 HA PHE 37 -13.756 -6.669 -7.575 285 1HB PHE 37 HB2 PHE 37 -15.802 -6.273 -5.380 286 2HB PHE 37 HB1 PHE 37 -15.200 -4.972 -6.396 287 HD1 PHE 37 HD1 PHE 37 -15.480 -5.247 -8.953 288 HD2 PHE 37 HD2 PHE 37 -17.633 -7.537 -6.059 289 HE1 PHE 37 HE1 PHE 37 -17.186 -5.796 -10.645 290 HE2 PHE 37 HE2 PHE 37 -19.333 -8.075 -7.755 291 HZ PHE 37 HZ PHE 37 -19.111 -7.177 -10.052 292 H TYR 38 HN TYR 38 -11.654 -6.278 -7.058 293 HA TYR 38 HA TYR 38 -10.960 -5.566 -4.262 294 1HB TYR 38 HB2 TYR 38 -9.198 -6.453 -6.558 295 2HB TYR 38 HB1 TYR 38 -8.635 -6.046 -4.942 296 HD1 TYR 38 HD1 TYR 38 -9.338 -7.430 -2.998 297 HD2 TYR 38 HD2 TYR 38 -10.126 -8.591 -7.024 298 HE1 TYR 38 HE1 TYR 38 -9.746 -9.737 -2.247 299 HE2 TYR 38 HE2 TYR 38 -10.526 -10.900 -6.282 300 HH TYR 38 HH TYR 38 -11.340 -11.938 -3.838 301 H LYS 39 HN LYS 39 -8.963 -4.031 -4.235 302 HA LYS 39 HA LYS 39 -9.799 -1.505 -5.336 303 1HB LYS 39 HB2 LYS 39 -8.731 -1.871 -3.074 304 2HB LYS 39 HB1 LYS 39 -7.212 -2.142 -3.910 305 1HG LYS 39 HG2 LYS 39 -7.667 0.166 -5.011 306 2HG LYS 39 HG1 LYS 39 -8.812 0.388 -3.692 307 1HD LYS 39 HD2 LYS 39 -6.671 -0.462 -2.283 308 2HD LYS 39 HD1 LYS 39 -5.842 0.291 -3.637 309 1HE LYS 39 HE2 LYS 39 -7.771 1.586 -1.711 310 2HE LYS 39 HE1 LYS 39 -6.065 1.945 -1.930 311 1HZ LYS 39 HZ2 LYS 39 -7.545 2.240 -4.364 312 2HZ LYS 39 HZ1 LYS 39 -8.152 3.233 -3.121 313 3HZ LYS 39 HZ3 LYS 39 -6.514 3.346 -3.576 314 H ASP 40 HN ASP 40 -6.878 -3.503 -5.748 315 HA ASP 40 HA ASP 40 -6.585 -2.694 -8.523 316 1HB ASP 40 HB2 ASP 40 -4.511 -1.613 -8.351 317 2HB ASP 40 HB1 ASP 40 -5.406 -0.953 -6.990 318 H ALA 41 HN ALA 41 -4.111 -3.606 -9.069 319 HA ALA 41 HA ALA 41 -4.366 -6.412 -9.195 320 1HB ALA 41 HB2 ALA 41 -1.958 -4.617 -9.572 321 2HB ALA 41 HB1 ALA 41 -1.971 -6.339 -9.949 322 3HB ALA 41 HB3 ALA 41 -3.036 -5.239 -10.821 323 H LYS 42 HN LYS 42 -2.506 -4.353 -6.957 324 HA LYS 42 HA LYS 42 -1.163 -6.479 -5.595 325 1HB LYS 42 HB2 LYS 42 -1.821 -3.647 -4.762 326 2HB LYS 42 HB1 LYS 42 -0.857 -4.746 -3.781 327 1HG LYS 42 HG2 LYS 42 0.755 -4.965 -5.634 328 2HG LYS 42 HG1 LYS 42 -0.195 -3.835 -6.595 329 1HD LYS 42 HD2 LYS 42 1.051 -3.190 -3.902 330 2HD LYS 42 HD1 LYS 42 1.780 -2.794 -5.454 331 1HE LYS 42 HE2 LYS 42 -0.831 -1.740 -4.344 332 2HE LYS 42 HE1 LYS 42 0.653 -0.835 -4.624 333 1HZ LYS 42 HZ2 LYS 42 0.289 -1.691 -7.057 334 2HZ LYS 42 HZ1 LYS 42 -1.337 -1.767 -6.544 335 3HZ LYS 42 HZ3 LYS 42 -0.499 -0.289 -6.478 336 H SER 43 HN SER 43 -4.128 -4.642 -4.939 337 HA SER 43 HA SER 43 -4.895 -5.836 -2.505 338 1HB SER 43 HB2 SER 43 -5.843 -3.760 -3.679 339 2HB SER 43 HB1 SER 43 -6.812 -4.880 -4.630 340 HG SER 43 HG SER 43 -6.972 -4.232 -1.900 341 H ALA 44 HN ALA 44 -5.646 -6.708 -5.866 342 HA ALA 44 HA ALA 44 -7.353 -8.915 -5.288 343 1HB ALA 44 HB2 ALA 44 -5.759 -8.248 -7.778 344 2HB ALA 44 HB1 ALA 44 -7.005 -9.496 -7.677 345 3HB ALA 44 HB3 ALA 44 -7.433 -7.800 -7.448 346 H ALA 45 HN ALA 45 -3.904 -8.692 -6.115 347 HA ALA 45 HA ALA 45 -3.341 -11.458 -6.148 348 1HB ALA 45 HB2 ALA 45 -1.534 -9.101 -5.561 349 2HB ALA 45 HB1 ALA 45 -0.973 -10.750 -5.848 350 3HB ALA 45 HB3 ALA 45 -1.808 -9.868 -7.128 351 H SER 46 HN SER 46 -3.008 -9.056 -3.505 352 HA SER 46 HA SER 46 -2.040 -10.888 -1.581 353 1HB SER 46 HB2 SER 46 -3.111 -8.086 -1.631 354 2HB SER 46 HB1 SER 46 -2.780 -8.886 -0.128 355 HG SER 46 HG SER 46 -0.618 -9.173 -0.750 356 H GLY 47 HN GLY 47 -5.248 -9.737 -2.518 357 1HA GLY 47 HA2 GLY 47 -7.310 -10.762 -2.137 358 2HA GLY 47 HA1 GLY 47 -6.541 -11.860 -0.990 359 H ILE 48 HN ILE 48 -6.651 -8.315 -1.185 360 HA ILE 48 HA ILE 48 -7.339 -8.129 1.648 361 HB ILE 48 HB ILE 48 -6.749 -5.893 -0.291 362 1HG1 ILE 48 HG12 ILE 48 -4.814 -7.534 1.371 363 2HG1 ILE 48 HG11 ILE 48 -4.878 -7.454 -0.385 364 1HG2 ILE 48 HG23 ILE 48 -6.613 -6.095 2.718 365 2HG2 ILE 48 HG22 ILE 48 -6.018 -4.725 1.781 366 3HG2 ILE 48 HG21 ILE 48 -7.736 -5.124 1.764 367 1HD1 ILE 48 HD11 ILE 48 -4.563 -4.854 0.087 368 2HD1 ILE 48 HD13 ILE 48 -3.814 -5.476 1.560 369 3HD1 ILE 48 HD12 ILE 48 -3.192 -5.961 -0.018 370 HA PRO 49 HA PRO 49 -11.620 -7.370 0.555 371 1HB PRO 49 HB2 PRO 49 -12.548 -6.796 3.043 372 2HB PRO 49 HB1 PRO 49 -12.186 -8.433 2.487 373 1HG PRO 49 HG2 PRO 49 -10.624 -6.657 4.283 374 2HG PRO 49 HG1 PRO 49 -10.786 -8.417 4.299 375 1HD PRO 49 HD2 PRO 49 -8.616 -7.004 3.281 376 2HD PRO 49 HD1 PRO 49 -9.007 -8.695 2.910 377 H TYR 50 HN TYR 50 -11.187 -5.481 -0.680 378 HA TYR 50 HA TYR 50 -10.637 -2.908 0.329 379 1HB TYR 50 HB2 TYR 50 -10.276 -3.520 -2.002 380 2HB TYR 50 HB1 TYR 50 -12.003 -3.742 -2.244 381 HD1 TYR 50 HD1 TYR 50 -9.817 -1.065 -0.783 382 HD2 TYR 50 HD2 TYR 50 -12.968 -2.058 -3.491 383 HE1 TYR 50 HE1 TYR 50 -10.023 1.307 -1.412 384 HE2 TYR 50 HE2 TYR 50 -13.175 0.317 -4.114 385 HH TYR 50 HH TYR 50 -10.986 2.542 -3.710 386 H HIS 51 HN HIS 51 -13.744 -4.028 -1.022 387 HA HIS 51 HA HIS 51 -15.188 -2.067 0.674 388 1HB HIS 51 HB2 HIS 51 -15.589 -3.157 -2.071 389 2HB HIS 51 HB1 HIS 51 -17.047 -2.930 -1.117 390 HD1 HIS 51 HD1 HIS 51 -17.951 -0.959 -2.384 391 HD2 HIS 51 HD2 HIS 51 -14.105 -0.296 -1.019 392 HE1 HIS 51 HE1 HIS 51 -17.537 1.472 -2.790 393 H SER 52 HN SER 52 -17.581 -2.949 0.994 394 HA SER 52 HA SER 52 -17.362 -5.297 2.672 395 1HB SER 52 HB2 SER 52 -19.998 -4.873 2.662 396 2HB SER 52 HB1 SER 52 -18.900 -3.855 3.590 397 HG SER 52 HG SER 52 -20.601 -3.021 1.817 398 H GLU 53 HN GLU 53 -18.834 -4.474 -0.419 399 HA GLU 53 HA GLU 53 -19.706 -7.216 -0.948 400 1HB GLU 53 HB2 GLU 53 -20.425 -6.099 -3.164 401 2HB GLU 53 HB1 GLU 53 -21.327 -5.710 -1.705 402 1HG GLU 53 HG2 GLU 53 -20.479 -3.550 -1.580 403 2HG GLU 53 HG1 GLU 53 -19.009 -3.955 -2.465 404 H VAL 54 HN VAL 54 -17.668 -8.243 -1.102 405 HA VAL 54 HA VAL 54 -15.996 -7.436 -3.400 406 HB VAL 54 HB VAL 54 -15.275 -8.804 -0.816 407 1HG1 VAL 54 HG11 VAL 54 -13.701 -8.670 -3.389 408 2HG1 VAL 54 HG13 VAL 54 -12.929 -8.867 -1.815 409 3HG1 VAL 54 HG12 VAL 54 -14.054 -10.092 -2.399 410 1HG2 VAL 54 HG21 VAL 54 -15.345 -6.186 -1.420 411 2HG2 VAL 54 HG23 VAL 54 -14.200 -6.898 -0.281 412 3HG2 VAL 54 HG22 VAL 54 -13.707 -6.579 -1.943 413 HA PRO 55 HA PRO 55 -16.319 -12.162 -4.065 414 1HB PRO 55 HB2 PRO 55 -17.716 -13.721 -2.339 415 2HB PRO 55 HB1 PRO 55 -15.993 -13.364 -2.151 416 1HG PRO 55 HG2 PRO 55 -18.347 -12.151 -0.773 417 2HG PRO 55 HG1 PRO 55 -16.768 -12.607 -0.115 418 1HD PRO 55 HD2 PRO 55 -17.438 -10.038 -0.743 419 2HD PRO 55 HD1 PRO 55 -15.778 -10.665 -0.793 420 H VAL 56 HN VAL 56 -17.695 -12.459 -5.731 421 HA VAL 56 HA VAL 56 -20.600 -12.492 -5.272 422 HB VAL 56 HB VAL 56 -19.223 -10.809 -7.376 423 1HG1 VAL 56 HG12 VAL 56 -22.049 -11.730 -7.103 424 2HG1 VAL 56 HG11 VAL 56 -21.741 -10.106 -7.716 425 3HG1 VAL 56 HG13 VAL 56 -21.065 -11.507 -8.554 426 1HG2 VAL 56 HG21 VAL 56 -20.811 -10.119 -4.913 427 2HG2 VAL 56 HG23 VAL 56 -19.195 -9.574 -5.369 428 3HG2 VAL 56 HG22 VAL 56 -20.607 -8.982 -6.245 429 H SER 57 HN SER 57 -21.653 -13.959 -6.531 430 HA SER 57 HA SER 57 -20.074 -15.869 -8.038 431 1HB SER 57 HB2 SER 57 -23.014 -15.902 -7.452 432 2HB SER 57 HB1 SER 57 -21.977 -17.253 -7.846 433 HG SER 57 HG SER 57 -20.792 -16.455 -5.802 434 H LEU 58 HN LEU 58 -20.189 -16.170 -10.194 435 HA LEU 58 HA LEU 58 -22.001 -14.461 -11.802 436 1HB LEU 58 HB2 LEU 58 -19.377 -14.026 -11.685 437 2HB LEU 58 HB1 LEU 58 -19.334 -15.348 -12.844 438 HG LEU 58 HG LEU 58 -21.061 -14.051 -14.183 439 1HD1 LEU 58 HD12 LEU 58 -20.424 -12.051 -12.056 440 2HD1 LEU 58 HD11 LEU 58 -20.763 -11.492 -13.694 441 3HD1 LEU 58 HD13 LEU 58 -21.971 -12.429 -12.819 442 1HD2 LEU 58 HD22 LEU 58 -18.207 -13.302 -13.804 443 2HD2 LEU 58 HD21 LEU 58 -19.017 -14.000 -15.209 444 3HD2 LEU 58 HD23 LEU 58 -19.203 -12.284 -14.844 445 H LYS 59 HN LYS 59 -22.957 -16.831 -11.042 446 HA LYS 59 HA LYS 59 -22.319 -18.958 -12.911 447 1HB LYS 59 HB2 LYS 59 -23.543 -18.778 -10.368 448 2HB LYS 59 HB1 LYS 59 -24.795 -19.358 -11.453 449 1HG LYS 59 HG2 LYS 59 -22.031 -20.570 -11.336 450 2HG LYS 59 HG1 LYS 59 -23.364 -21.126 -10.328 451 1HD LYS 59 HD2 LYS 59 -23.441 -21.034 -13.358 452 2HD LYS 59 HD1 LYS 59 -23.054 -22.468 -12.411 453 1HE LYS 59 HE2 LYS 59 -25.378 -21.864 -11.233 454 2HE LYS 59 HE1 LYS 59 -25.670 -21.079 -12.784 455 1HZ LYS 59 HZ3 LYS 59 -25.021 -23.239 -13.835 456 2HZ LYS 59 HZ2 LYS 59 -25.073 -23.940 -12.277 457 3HZ LYS 59 HZ1 LYS 59 -26.478 -23.261 -12.968 458 H GLU 60 HN GLU 60 -22.865 -18.374 -14.977 459 HA GLU 60 HA GLU 60 -24.137 -17.947 -16.825 460 1HB GLU 60 HB2 GLU 60 -26.439 -18.817 -15.061 461 2HB GLU 60 HB1 GLU 60 -26.482 -18.667 -16.815 462 1HG GLU 60 HG2 GLU 60 -24.715 -20.380 -17.001 463 2HG GLU 60 HG1 GLU 60 -24.683 -20.540 -15.248 464 H ALA 61 HN ALA 61 -23.457 -15.683 -16.208 465 HA ALA 61 HA ALA 61 -25.692 -13.916 -15.448 466 1HB ALA 61 HB2 ALA 61 -23.488 -13.636 -14.325 467 2HB ALA 61 HB1 ALA 61 -22.770 -13.247 -15.891 468 3HB ALA 61 HB3 ALA 61 -24.005 -12.192 -15.195 469 H ILE 62 HN ILE 62 -26.689 -12.633 -16.915 470 HA ILE 62 HA ILE 62 -26.055 -12.931 -19.730 471 HB ILE 62 HB ILE 62 -28.145 -11.216 -18.373 472 1HG1 ILE 62 HG12 ILE 62 -28.397 -13.684 -18.005 473 2HG1 ILE 62 HG11 ILE 62 -29.734 -12.933 -18.866 474 1HG2 ILE 62 HG23 ILE 62 -27.500 -11.763 -21.243 475 2HG2 ILE 62 HG22 ILE 62 -29.183 -11.532 -20.766 476 3HG2 ILE 62 HG21 ILE 62 -28.000 -10.258 -20.463 477 1HD1 ILE 62 HD13 ILE 62 -27.801 -13.801 -20.787 478 2HD1 ILE 62 HD12 ILE 62 -28.148 -15.136 -19.690 479 3HD1 ILE 62 HD11 ILE 62 -29.462 -14.348 -20.568 480 H CYS 63 HN CYS 63 -25.070 -11.472 -21.020 481 HA CYS 63 HA CYS 63 -24.268 -8.868 -19.855 482 1HB CYS 63 HB2 CYS 63 -22.535 -10.888 -20.081 483 2HB CYS 63 HB1 CYS 63 -22.414 -10.267 -21.718 484 HG CYS 63 HG CYS 63 -20.920 -9.123 -19.537 485 H GLU 64 HN GLU 64 -25.041 -7.247 -21.027 486 HA GLU 64 HA GLU 64 -25.493 -7.596 -23.945 487 1HB GLU 64 HB2 GLU 64 -26.993 -5.999 -21.866 488 2HB GLU 64 HB1 GLU 64 -27.169 -5.701 -23.597 489 1HG GLU 64 HG2 GLU 64 -27.940 -7.985 -23.952 490 2HG GLU 64 HG1 GLU 64 -27.671 -8.366 -22.250 491 H VAL 65 HN VAL 65 -24.905 -5.867 -25.305 492 HA VAL 65 HA VAL 65 -22.695 -4.253 -24.297 493 HB VAL 65 HB VAL 65 -23.826 -4.222 -27.095 494 1HG1 VAL 65 HG13 VAL 65 -21.284 -3.338 -25.790 495 2HG1 VAL 65 HG12 VAL 65 -21.229 -3.912 -27.459 496 3HG1 VAL 65 HG11 VAL 65 -22.253 -2.541 -27.034 497 1HG2 VAL 65 HG23 VAL 65 -22.445 -6.402 -25.713 498 2HG2 VAL 65 HG22 VAL 65 -23.323 -6.408 -27.242 499 3HG2 VAL 65 HG21 VAL 65 -21.637 -5.892 -27.195 500 H ALA 66 HN ALA 66 -22.611 -2.064 -24.146 501 HA ALA 66 HA ALA 66 -25.026 -0.454 -24.728 502 1HB ALA 66 HB1 ALA 66 -23.407 -0.392 -22.163 503 2HB ALA 66 HB3 ALA 66 -24.679 0.754 -22.591 504 3HB ALA 66 HB2 ALA 66 -25.070 -0.948 -22.334 505 H LEU 67 HN LEU 67 -23.930 0.231 -26.590 506 HA LEU 67 HA LEU 67 -21.345 1.539 -26.419 507 1HB LEU 67 HB2 LEU 67 -22.849 0.322 -28.473 508 2HB LEU 67 HB1 LEU 67 -22.739 2.023 -28.915 509 HG LEU 67 HG LEU 67 -20.374 0.313 -28.130 510 1HD1 LEU 67 HD11 LEU 67 -21.417 1.057 -30.866 511 2HD1 LEU 67 HD13 LEU 67 -19.816 0.380 -30.562 512 3HD1 LEU 67 HD12 LEU 67 -21.260 -0.564 -30.183 513 1HD2 LEU 67 HD22 LEU 67 -20.545 3.064 -29.377 514 2HD2 LEU 67 HD21 LEU 67 -19.985 2.678 -27.749 515 3HD2 LEU 67 HD23 LEU 67 -19.058 2.145 -29.150 516 H ASP 68 HN ASP 68 -24.734 2.474 -26.743 517 HA ASP 68 HA ASP 68 -23.984 5.345 -26.573 518 1HB ASP 68 HB2 ASP 68 -25.248 4.670 -28.619 519 2HB ASP 68 HB1 ASP 68 -26.570 4.120 -27.593 520 H TYR 69 HN TYR 69 -23.724 5.053 -24.245 521 HA TYR 69 HA TYR 69 -26.297 4.985 -22.782 522 1HB TYR 69 HB2 TYR 69 -24.790 3.105 -22.205 523 2HB TYR 69 HB1 TYR 69 -23.536 4.259 -21.770 524 HD1 TYR 69 HD1 TYR 69 -27.209 4.082 -21.048 525 HD2 TYR 69 HD2 TYR 69 -23.245 4.310 -19.465 526 HE1 TYR 69 HE1 TYR 69 -28.116 4.177 -18.755 527 HE2 TYR 69 HE2 TYR 69 -24.160 4.397 -17.187 528 HH TYR 69 HH TYR 69 -27.254 3.565 -16.400 529 H LYS 70 HN LYS 70 -26.359 7.239 -23.506 530 HA LYS 70 HA LYS 70 -26.362 9.460 -23.024 531 1HB LYS 70 HB2 LYS 70 -24.831 8.749 -20.504 532 2HB LYS 70 HB1 LYS 70 -25.651 10.268 -20.845 533 1HG LYS 70 HG2 LYS 70 -27.662 8.471 -21.280 534 2HG LYS 70 HG1 LYS 70 -26.759 7.668 -20.002 535 1HD LYS 70 HD2 LYS 70 -27.360 9.196 -18.432 536 2HD LYS 70 HD1 LYS 70 -27.221 10.548 -19.553 537 1HE LYS 70 HE2 LYS 70 -29.550 10.228 -18.809 538 2HE LYS 70 HE1 LYS 70 -29.381 9.994 -20.544 539 1HZ LYS 70 HZ2 LYS 70 -29.340 7.595 -20.180 540 2HZ LYS 70 HZ1 LYS 70 -29.535 7.841 -18.501 541 3HZ LYS 70 HZ3 LYS 70 -30.776 8.288 -19.585 542 H LYS 71 HN LYS 71 -23.192 8.742 -21.551 543 HA LYS 71 HA LYS 71 -21.722 9.696 -23.878 544 1HB LYS 71 HB2 LYS 71 -21.973 11.311 -21.343 545 2HB LYS 71 HB1 LYS 71 -20.512 11.399 -22.321 546 1HG LYS 71 HG2 LYS 71 -22.345 11.763 -24.258 547 2HG LYS 71 HG1 LYS 71 -23.254 12.407 -22.893 548 1HD LYS 71 HD2 LYS 71 -21.999 14.272 -22.820 549 2HD LYS 71 HD1 LYS 71 -20.490 13.374 -22.933 550 1HE LYS 71 HE2 LYS 71 -22.293 14.062 -25.270 551 2HE LYS 71 HE1 LYS 71 -20.805 14.911 -24.849 552 1HZ LYS 71 HZ3 LYS 71 -19.831 12.489 -25.001 553 2HZ LYS 71 HZ2 LYS 71 -21.177 12.260 -26.037 554 3HZ LYS 71 HZ1 LYS 71 -20.020 13.456 -26.390 555 H LYS 72 HN LYS 72 -20.836 7.596 -23.767 556 HA LYS 72 HA LYS 72 -18.503 7.360 -22.083 557 1HB LYS 72 HB2 LYS 72 -20.901 5.573 -21.667 558 2HB LYS 72 HB1 LYS 72 -19.275 4.952 -21.396 559 1HG LYS 72 HG2 LYS 72 -19.187 7.324 -20.030 560 2HG LYS 72 HG1 LYS 72 -20.865 6.846 -19.787 561 1HD LYS 72 HD2 LYS 72 -20.217 4.784 -18.782 562 2HD LYS 72 HD1 LYS 72 -18.540 4.985 -19.283 563 1HE LYS 72 HE2 LYS 72 -19.989 6.738 -17.288 564 2HE LYS 72 HE1 LYS 72 -18.826 5.477 -16.889 565 1HZ LYS 72 HZ2 LYS 72 -17.551 7.083 -18.719 566 2HZ LYS 72 HZ1 LYS 72 -18.372 8.167 -17.684 567 3HZ LYS 72 HZ3 LYS 72 -17.283 7.032 -17.032 568 H LYS 73 HN LYS 73 -17.023 5.882 -22.906 569 HA LYS 73 HA LYS 73 -17.087 5.486 -25.695 570 1HB LYS 73 HB2 LYS 73 -15.073 3.811 -24.912 571 2HB LYS 73 HB1 LYS 73 -14.913 5.544 -25.147 572 1HG LYS 73 HG2 LYS 73 -15.105 5.984 -22.824 573 2HG LYS 73 HG1 LYS 73 -15.683 4.355 -22.484 574 1HD LYS 73 HD2 LYS 73 -13.334 4.650 -21.807 575 2HD LYS 73 HD1 LYS 73 -13.504 3.428 -23.061 576 1HE LYS 73 HE2 LYS 73 -13.028 6.143 -24.100 577 2HE LYS 73 HE1 LYS 73 -11.717 5.522 -23.102 578 1HZ LYS 73 HZ1 LYS 73 -12.866 4.132 -25.475 579 2HZ LYS 73 HZ3 LYS 73 -11.396 4.990 -25.442 580 3HZ LYS 73 HZ2 LYS 73 -11.572 3.582 -24.505 581 H HIS 74 HN HIS 74 -16.376 2.696 -23.632 582 HA HIS 74 HA HIS 74 -18.453 1.135 -25.077 583 1HB HIS 74 HB2 HIS 74 -15.542 0.603 -24.644 584 2HB HIS 74 HB1 HIS 74 -16.632 -0.770 -24.527 585 HD1 HIS 74 HD1 HIS 74 -16.539 2.102 -27.027 586 HD2 HIS 74 HD2 HIS 74 -16.486 -2.031 -26.920 587 HE1 HIS 74 HE1 HIS 74 -16.516 1.390 -29.425 588 H VAL 75 HN VAL 75 -19.990 0.586 -23.675 589 HA VAL 75 HA VAL 75 -19.236 -0.318 -20.955 590 HB VAL 75 HB VAL 75 -21.693 1.244 -21.783 591 1HG1 VAL 75 HG13 VAL 75 -20.876 0.055 -19.138 592 2HG1 VAL 75 HG12 VAL 75 -21.994 1.418 -19.247 593 3HG1 VAL 75 HG11 VAL 75 -22.407 -0.120 -19.999 594 1HG2 VAL 75 HG23 VAL 75 -19.218 2.062 -20.291 595 2HG2 VAL 75 HG22 VAL 75 -19.898 2.776 -21.753 596 3HG2 VAL 75 HG21 VAL 75 -20.724 2.975 -20.204 597 H PHE 76 HN PHE 76 -20.704 -1.922 -20.063 598 HA PHE 76 HA PHE 76 -22.547 -3.223 -21.906 599 1HB PHE 76 HB2 PHE 76 -21.608 -5.445 -21.601 600 2HB PHE 76 HB1 PHE 76 -20.454 -4.383 -22.378 601 HD1 PHE 76 HD2 PHE 76 -21.256 -6.233 -19.310 602 HD2 PHE 76 HD1 PHE 76 -18.370 -3.802 -21.306 603 HE1 PHE 76 HE2 PHE 76 -19.546 -6.912 -17.667 604 HE2 PHE 76 HE1 PHE 76 -16.660 -4.479 -19.668 605 HZ PHE 76 HZ PHE 76 -17.246 -6.033 -17.845 606 H LYS 77 HN LYS 77 -24.199 -4.239 -20.906 607 HA LYS 77 HA LYS 77 -24.528 -3.683 -18.043 608 1HB LYS 77 HB2 LYS 77 -26.288 -3.046 -19.725 609 2HB LYS 77 HB1 LYS 77 -26.541 -4.765 -20.015 610 1HG LYS 77 HG2 LYS 77 -27.433 -5.143 -17.891 611 2HG LYS 77 HG1 LYS 77 -26.680 -3.699 -17.219 612 1HD LYS 77 HD2 LYS 77 -29.001 -3.209 -17.392 613 2HD LYS 77 HD1 LYS 77 -28.219 -2.340 -18.709 614 1HE LYS 77 HE2 LYS 77 -30.256 -3.414 -19.505 615 2HE LYS 77 HE1 LYS 77 -28.850 -4.157 -20.261 616 1HZ LYS 77 HZ3 LYS 77 -29.915 -5.347 -17.799 617 2HZ LYS 77 HZ2 LYS 77 -30.744 -5.608 -19.258 618 3HZ LYS 77 HZ1 LYS 77 -29.113 -6.091 -19.106 619 H LEU 78 HN LEU 78 -23.898 -5.173 -16.705 620 HA LEU 78 HA LEU 78 -23.963 -8.023 -17.447 621 1HB LEU 78 HB2 LEU 78 -21.796 -7.084 -16.751 622 2HB LEU 78 HB1 LEU 78 -22.495 -6.605 -15.211 623 HG LEU 78 HG LEU 78 -22.772 -8.834 -14.537 624 1HD1 LEU 78 HD13 LEU 78 -22.347 -9.536 -17.422 625 2HD1 LEU 78 HD12 LEU 78 -22.065 -10.735 -16.154 626 3HD1 LEU 78 HD11 LEU 78 -23.659 -10.008 -16.342 627 1HD2 LEU 78 HD22 LEU 78 -20.174 -8.055 -15.608 628 2HD2 LEU 78 HD21 LEU 78 -20.615 -8.667 -14.015 629 3HD2 LEU 78 HD23 LEU 78 -20.356 -9.789 -15.351 630 H ARG 79 HN ARG 79 -25.807 -8.948 -16.878 631 HA ARG 79 HA ARG 79 -27.179 -8.198 -14.366 632 1HB ARG 79 HB2 ARG 79 -28.561 -8.041 -16.340 633 2HB ARG 79 HB1 ARG 79 -28.111 -9.663 -16.845 634 1HG ARG 79 HG2 ARG 79 -29.223 -9.732 -14.174 635 2HG ARG 79 HG1 ARG 79 -30.322 -8.900 -15.267 636 1HD ARG 79 HD2 ARG 79 -30.020 -10.860 -16.863 637 2HD ARG 79 HD1 ARG 79 -29.212 -11.706 -15.541 638 HE ARG 79 HE ARG 79 -32.023 -10.719 -15.376 639 1HH1 ARG 79 HH21 ARG 79 -30.213 -12.103 -13.086 640 2HH1 ARG 79 HH22 ARG 79 -30.990 -13.663 -13.034 641 1HH2 ARG 79 HH11 ARG 79 -32.715 -13.206 -16.064 642 2HH2 ARG 79 HH12 ARG 79 -32.440 -14.275 -14.711 643 H LEU 80 HN LEU 80 -26.430 -9.385 -12.740 644 HA LEU 80 HA LEU 80 -25.276 -11.964 -12.997 645 1HB LEU 80 HB2 LEU 80 -26.147 -10.358 -10.599 646 2HB LEU 80 HB1 LEU 80 -25.320 -11.910 -10.486 647 HG LEU 80 HG LEU 80 -23.665 -10.727 -12.170 648 1HD1 LEU 80 HD21 LEU 80 -25.010 -8.462 -10.779 649 2HD1 LEU 80 HD23 LEU 80 -23.367 -8.351 -11.404 650 3HD1 LEU 80 HD22 LEU 80 -24.696 -8.689 -12.501 651 1HD2 LEU 80 HD11 LEU 80 -23.770 -10.675 -9.198 652 2HD2 LEU 80 HD13 LEU 80 -22.645 -11.509 -10.275 653 3HD2 LEU 80 HD12 LEU 80 -22.492 -9.772 -10.012 654 H SER 81 HN SER 81 -25.957 -13.820 -11.744 655 HA SER 81 HA SER 81 -28.712 -14.537 -12.304 656 1HB SER 81 HB2 SER 81 -27.835 -16.787 -11.320 657 2HB SER 81 HB1 SER 81 -27.248 -16.240 -12.885 658 HG SER 81 HG SER 81 -25.404 -16.688 -11.861 659 H ASP 82 HN ASP 82 -28.493 -12.551 -10.338 660 HA ASP 82 HA ASP 82 -29.628 -13.934 -7.989 661 1HB ASP 82 HB2 ASP 82 -27.251 -13.151 -7.570 662 2HB ASP 82 HB1 ASP 82 -27.819 -11.502 -7.784 663 H GLY 83 HN GLY 83 -29.104 -10.478 -8.391 664 1HA GLY 83 HA2 GLY 83 -31.574 -9.777 -9.566 665 2HA GLY 83 HA1 GLY 83 -31.726 -9.706 -7.808 666 H ASN 84 HN ASN 84 -28.964 -8.965 -9.964 667 HA ASN 84 HA ASN 84 -29.065 -6.119 -9.256 668 1HB ASN 84 HB2 ASN 84 -26.444 -7.615 -9.057 669 2HB ASN 84 HB1 ASN 84 -26.829 -5.998 -8.482 670 1HD2 ASN 84 HD22 ASN 84 -27.778 -7.092 -5.298 671 2HD2 ASN 84 HD21 ASN 84 -27.402 -5.773 -6.365 672 H GLU 85 HN GLU 85 -28.279 -4.837 -10.855 673 HA GLU 85 HA GLU 85 -27.096 -6.088 -13.267 674 1HB GLU 85 HB2 GLU 85 -29.394 -4.137 -13.062 675 2HB GLU 85 HB1 GLU 85 -28.438 -4.300 -14.533 676 1HG GLU 85 HG2 GLU 85 -28.980 -6.789 -14.450 677 2HG GLU 85 HG1 GLU 85 -30.149 -6.402 -13.189 678 H TYR 86 HN TYR 86 -25.111 -5.271 -13.451 679 HA TYR 86 HA TYR 86 -24.616 -2.458 -12.648 680 1HB TYR 86 HB2 TYR 86 -22.477 -4.562 -12.888 681 2HB TYR 86 HB1 TYR 86 -22.406 -3.015 -12.062 682 HD1 TYR 86 HD1 TYR 86 -24.323 -2.789 -10.175 683 HD2 TYR 86 HD2 TYR 86 -22.561 -6.429 -11.528 684 HE1 TYR 86 HE1 TYR 86 -24.944 -3.873 -8.054 685 HE2 TYR 86 HE2 TYR 86 -23.182 -7.524 -9.406 686 HH TYR 86 HH TYR 86 -24.761 -7.273 -7.590 687 H LEU 87 HN LEU 87 -23.567 -1.109 -14.001 688 HA LEU 87 HA LEU 87 -23.227 -1.968 -16.802 689 1HB LEU 87 HB2 LEU 87 -23.052 0.838 -15.665 690 2HB LEU 87 HB1 LEU 87 -23.150 0.377 -17.360 691 HG LEU 87 HG LEU 87 -25.288 0.176 -15.254 692 1HD1 LEU 87 HD12 LEU 87 -24.853 2.342 -16.474 693 2HD1 LEU 87 HD11 LEU 87 -25.394 1.521 -17.942 694 3HD1 LEU 87 HD13 LEU 87 -26.498 1.709 -16.577 695 1HD2 LEU 87 HD22 LEU 87 -25.099 -1.170 -17.928 696 2HD2 LEU 87 HD21 LEU 87 -25.659 -1.821 -16.386 697 3HD2 LEU 87 HD23 LEU 87 -26.670 -0.690 -17.284 698 H PHE 88 HN PHE 88 -21.237 -2.601 -17.338 699 HA PHE 88 HA PHE 88 -18.933 -1.621 -15.781 700 1HB PHE 88 HB2 PHE 88 -19.485 -4.118 -17.318 701 2HB PHE 88 HB1 PHE 88 -17.829 -3.632 -16.980 702 HD1 PHE 88 HD1 PHE 88 -17.315 -3.046 -14.469 703 HD2 PHE 88 HD2 PHE 88 -20.621 -5.415 -15.774 704 HE1 PHE 88 HE1 PHE 88 -17.472 -4.067 -12.227 705 HE2 PHE 88 HE2 PHE 88 -20.788 -6.424 -13.551 706 HZ PHE 88 HZ PHE 88 -19.216 -5.753 -11.767 707 H GLN 89 HN GLN 89 -17.659 -0.181 -16.678 708 HA GLN 89 HA GLN 89 -17.741 0.264 -19.594 709 1HB GLN 89 HB2 GLN 89 -18.193 2.183 -18.103 710 2HB GLN 89 HB1 GLN 89 -16.611 1.982 -17.387 711 1HG GLN 89 HG2 GLN 89 -16.009 2.151 -20.080 712 2HG GLN 89 HG1 GLN 89 -17.368 3.255 -19.921 713 1HE2 GLN 89 HE22 GLN 89 -13.751 4.158 -18.294 714 2HE2 GLN 89 HE21 GLN 89 -14.069 2.636 -19.069 715 H ALA 90 HN ALA 90 -16.166 -0.458 -20.809 716 HA ALA 90 HA ALA 90 -13.622 -1.387 -19.648 717 1HB ALA 90 HB3 ALA 90 -14.871 -1.846 -22.379 718 2HB ALA 90 HB2 ALA 90 -13.347 -2.544 -21.829 719 3HB ALA 90 HB1 ALA 90 -14.858 -2.990 -21.035 720 H LYS 91 HN LYS 91 -11.721 -1.082 -21.255 721 HA LYS 91 HA LYS 91 -11.416 1.786 -21.681 722 1HB LYS 91 HB2 LYS 91 -9.540 -0.568 -21.883 723 2HB LYS 91 HB1 LYS 91 -9.082 1.026 -22.471 724 1HG LYS 91 HG2 LYS 91 -8.323 1.278 -20.346 725 2HG LYS 91 HG1 LYS 91 -9.997 1.724 -20.048 726 1HD LYS 91 HD2 LYS 91 -9.458 0.180 -18.346 727 2HD LYS 91 HD1 LYS 91 -10.429 -0.719 -19.508 728 1HE LYS 91 HE2 LYS 91 -8.475 -2.014 -18.730 729 2HE LYS 91 HE1 LYS 91 -8.424 -1.716 -20.462 730 1HZ LYS 91 HZ2 LYS 91 -7.095 0.397 -19.226 731 2HZ LYS 91 HZ1 LYS 91 -6.520 -1.042 -18.506 732 3HZ LYS 91 HZ3 LYS 91 -6.433 -0.836 -20.195 733 H ASP 92 HN ASP 92 -11.321 -1.150 -23.686 734 HA ASP 92 HA ASP 92 -12.161 0.456 -25.998 735 1HB ASP 92 HB2 ASP 92 -9.516 0.041 -25.756 736 2HB ASP 92 HB1 ASP 92 -9.954 -1.468 -26.544 737 H ASP 93 HN ASP 93 -12.261 -1.115 -27.978 738 HA ASP 93 HA ASP 93 -14.445 -2.830 -27.630 739 1HB ASP 93 HB2 ASP 93 -13.816 -1.733 -29.748 740 2HB ASP 93 HB1 ASP 93 -12.426 -2.801 -29.886 741 H GLU 94 HN GLU 94 -11.026 -3.737 -28.182 742 HA GLU 94 HA GLU 94 -11.302 -6.511 -28.194 743 1HB GLU 94 HB2 GLU 94 -8.946 -5.105 -26.927 744 2HB GLU 94 HB1 GLU 94 -8.971 -6.663 -27.733 745 1HG GLU 94 HG2 GLU 94 -8.060 -5.337 -29.390 746 2HG GLU 94 HG1 GLU 94 -9.773 -5.261 -29.807 747 H GLU 95 HN GLU 95 -10.619 -4.414 -25.393 748 HA GLU 95 HA GLU 95 -10.592 -6.423 -23.419 749 1HB GLU 95 HB2 GLU 95 -9.937 -3.878 -23.329 750 2HB GLU 95 HB1 GLU 95 -11.609 -3.671 -22.822 751 1HG GLU 95 HG2 GLU 95 -10.960 -5.661 -21.171 752 2HG GLU 95 HG1 GLU 95 -9.338 -5.025 -21.426 753 H MET 96 HN MET 96 -13.252 -4.324 -24.542 754 HA MET 96 HA MET 96 -15.277 -5.236 -22.823 755 1HB MET 96 HB2 MET 96 -15.348 -3.237 -24.384 756 2HB MET 96 HB1 MET 96 -15.696 -4.365 -25.688 757 1HG MET 96 HG2 MET 96 -17.585 -5.166 -23.969 758 2HG MET 96 HG1 MET 96 -17.399 -3.517 -23.390 759 1HE MET 96 HE3 MET 96 -17.600 -5.711 -26.393 760 2HE MET 96 HE2 MET 96 -18.903 -5.046 -27.378 761 3HE MET 96 HE1 MET 96 -17.264 -4.421 -27.553 762 H ASN 97 HN ASN 97 -14.294 -6.441 -26.032 763 HA ASN 97 HA ASN 97 -16.277 -8.446 -26.301 764 1HB ASN 97 HB2 ASN 97 -14.892 -7.618 -28.175 765 2HB ASN 97 HB1 ASN 97 -13.474 -8.375 -27.460 766 1HD2 ASN 97 HD22 ASN 97 -16.390 -10.993 -28.725 767 2HD2 ASN 97 HD21 ASN 97 -16.822 -9.589 -27.804 768 H THR 98 HN THR 98 -12.970 -8.564 -24.992 769 HA THR 98 HA THR 98 -12.910 -11.324 -24.366 770 HB THR 98 HB THR 98 -11.427 -9.069 -22.999 771 HG1 THR 98 HG1 THR 98 -11.348 -9.927 -25.550 772 1HG2 THR 98 HG22 THR 98 -11.413 -11.820 -22.457 773 2HG2 THR 98 HG21 THR 98 -9.957 -11.535 -23.406 774 3HG2 THR 98 HG23 THR 98 -10.233 -10.624 -21.920 775 H TRP 99 HN TRP 99 -13.914 -8.487 -22.451 776 HA TRP 99 HA TRP 99 -14.351 -9.821 -19.990 777 1HB TRP 99 HB2 TRP 99 -15.281 -7.233 -21.191 778 2HB TRP 99 HB1 TRP 99 -16.050 -7.810 -19.720 779 HD1 TRP 99 HD1 TRP 99 -13.421 -5.506 -20.622 780 HE1 TRP 99 HE1 TRP 99 -11.725 -5.210 -18.730 781 HE3 TRP 99 HE3 TRP 99 -14.642 -9.555 -17.707 782 HZ2 TRP 99 HZ2 TRP 99 -10.993 -6.480 -16.327 783 HZ3 TRP 99 HZ3 TRP 99 -13.406 -9.935 -15.613 784 HH2 TRP 99 HH2 TRP 99 -11.602 -8.416 -14.928 785 H ILE 100 HN ILE 100 -16.694 -8.846 -22.499 786 HA ILE 100 HA ILE 100 -18.983 -9.963 -21.338 787 HB ILE 100 HB ILE 100 -18.280 -9.381 -24.212 788 1HG1 ILE 100 HG12 ILE 100 -20.055 -7.908 -22.257 789 2HG1 ILE 100 HG11 ILE 100 -18.386 -7.476 -22.601 790 1HG2 ILE 100 HG23 ILE 100 -20.700 -10.652 -23.083 791 2HG2 ILE 100 HG22 ILE 100 -20.993 -9.300 -24.175 792 3HG2 ILE 100 HG21 ILE 100 -20.054 -10.686 -24.721 793 1HD1 ILE 100 HD11 ILE 100 -18.981 -7.150 -24.984 794 2HD1 ILE 100 HD13 ILE 100 -20.662 -7.518 -24.594 795 3HD1 ILE 100 HD12 ILE 100 -19.895 -6.083 -23.915 796 H GLN 101 HN GLN 101 -16.808 -11.448 -23.790 797 HA GLN 101 HA GLN 101 -18.248 -13.919 -23.901 798 1HB GLN 101 HB2 GLN 101 -15.479 -13.106 -24.785 799 2HB GLN 101 HB1 GLN 101 -16.073 -14.758 -24.963 800 1HG GLN 101 HG2 GLN 101 -18.110 -13.706 -26.149 801 2HG GLN 101 HG1 GLN 101 -17.151 -12.230 -26.232 802 1HE2 GLN 101 HE22 GLN 101 -15.808 -15.525 -28.302 803 2HE2 GLN 101 HE21 GLN 101 -16.658 -15.713 -26.795 804 H ALA 102 HN ALA 102 -15.545 -12.790 -21.912 805 HA ALA 102 HA ALA 102 -14.912 -15.337 -20.755 806 1HB ALA 102 HB3 ALA 102 -14.414 -12.534 -19.719 807 2HB ALA 102 HB2 ALA 102 -13.714 -14.007 -19.044 808 3HB ALA 102 HB1 ALA 102 -13.302 -13.508 -20.683 809 H ILE 103 HN ILE 103 -17.212 -12.788 -20.029 810 HA ILE 103 HA ILE 103 -17.976 -13.694 -17.426 811 HB ILE 103 HB ILE 103 -19.126 -11.822 -19.468 812 1HG1 ILE 103 HG12 ILE 103 -18.634 -11.186 -16.590 813 2HG1 ILE 103 HG11 ILE 103 -17.251 -11.404 -17.653 814 1HG2 ILE 103 HG23 ILE 103 -20.549 -12.698 -16.952 815 2HG2 ILE 103 HG22 ILE 103 -20.958 -11.261 -17.887 816 3HG2 ILE 103 HG21 ILE 103 -21.128 -12.853 -18.615 817 1HD1 ILE 103 HD11 ILE 103 -18.962 -9.731 -19.083 818 2HD1 ILE 103 HD13 ILE 103 -19.061 -9.157 -17.420 819 3HD1 ILE 103 HD12 ILE 103 -17.495 -9.261 -18.226 820 H SER 104 HN SER 104 -19.113 -14.358 -20.722 821 HA SER 104 HA SER 104 -21.379 -15.938 -20.018 822 1HB SER 104 HB2 SER 104 -19.728 -16.240 -22.532 823 2HB SER 104 HB1 SER 104 -21.443 -16.575 -22.314 824 HG SER 104 HG SER 104 -21.530 -14.189 -21.754 825 H SER 105 HN SER 105 -17.970 -16.669 -20.558 826 HA SER 105 HA SER 105 -18.217 -19.529 -20.385 827 1HB SER 105 HB2 SER 105 -15.700 -17.932 -19.881 828 2HB SER 105 HB1 SER 105 -15.847 -19.577 -20.496 829 HG SER 105 HG SER 105 -16.644 -17.184 -21.845 830 H ALA 106 HN ALA 106 -17.161 -16.969 -18.147 831 HA ALA 106 HA ALA 106 -16.948 -16.843 -15.882 832 1HB ALA 106 HB1 ALA 106 -19.392 -17.468 -16.112 833 2HB ALA 106 HB3 ALA 106 -18.916 -19.125 -15.730 834 3HB ALA 106 HB2 ALA 106 -18.650 -17.838 -14.553 No H/Q in entry = 834 Start of MODEL 49 1 1H MET 1 HT2 MET 1 -8.515 -10.381 -18.987 2 2H MET 1 HT1 MET 1 -9.740 -11.426 -19.532 3 3H MET 1 HT3 MET 1 -10.062 -9.766 -19.371 4 HA MET 1 HA MET 1 -10.883 -10.233 -17.400 5 1HB MET 1 HB2 MET 1 -10.207 -12.472 -16.224 6 2HB MET 1 HB1 MET 1 -11.285 -12.505 -17.609 7 1HG MET 1 HG2 MET 1 -8.317 -12.799 -17.979 8 2HG MET 1 HG1 MET 1 -9.302 -14.179 -17.515 9 1HE MET 1 HE1 MET 1 -7.902 -14.940 -19.470 10 2HE MET 1 HE3 MET 1 -9.283 -15.771 -20.207 11 3HE MET 1 HE2 MET 1 -8.286 -14.682 -21.171 12 H GLU 2 HN GLU 2 -10.215 -10.278 -15.100 13 HA GLU 2 HA GLU 2 -9.013 -9.400 -13.401 14 1HB GLU 2 HB2 GLU 2 -7.007 -11.048 -14.860 15 2HB GLU 2 HB1 GLU 2 -6.522 -10.125 -13.453 16 1HG GLU 2 HG2 GLU 2 -7.080 -12.274 -12.618 17 2HG GLU 2 HG1 GLU 2 -8.473 -11.265 -12.238 18 H GLY 3 HN GLY 3 -9.464 -7.306 -14.156 19 1HA GLY 3 HA2 GLY 3 -7.153 -5.645 -14.486 20 2HA GLY 3 HA1 GLY 3 -8.136 -5.717 -15.948 21 H PHE 4 HN PHE 4 -8.061 -3.327 -15.121 22 HA PHE 4 HA PHE 4 -9.934 -2.646 -13.030 23 1HB PHE 4 HB2 PHE 4 -8.254 -1.091 -14.946 24 2HB PHE 4 HB1 PHE 4 -9.606 -0.287 -14.175 25 HD1 PHE 4 HD1 PHE 4 -9.750 -0.722 -11.529 26 HD2 PHE 4 HD2 PHE 4 -6.214 -0.980 -13.909 27 HE1 PHE 4 HE1 PHE 4 -8.377 -0.351 -9.524 28 HE2 PHE 4 HE2 PHE 4 -4.839 -0.611 -11.903 29 HZ PHE 4 HZ PHE 4 -5.982 -0.293 -9.660 30 H LEU 5 HN LEU 5 -11.946 -1.874 -13.220 31 HA LEU 5 HA LEU 5 -13.229 -1.565 -15.842 32 1HB LEU 5 HB2 LEU 5 -13.720 -3.784 -13.949 33 2HB LEU 5 HB1 LEU 5 -15.172 -2.932 -14.454 34 HG LEU 5 HG LEU 5 -13.133 -4.169 -16.313 35 1HD1 LEU 5 HD11 LEU 5 -15.825 -5.079 -15.319 36 2HD1 LEU 5 HD13 LEU 5 -15.155 -5.657 -16.844 37 3HD1 LEU 5 HD12 LEU 5 -14.298 -5.963 -15.331 38 1HD2 LEU 5 HD23 LEU 5 -15.522 -2.450 -16.740 39 2HD2 LEU 5 HD22 LEU 5 -14.018 -2.552 -17.659 40 3HD2 LEU 5 HD21 LEU 5 -15.260 -3.786 -17.862 41 H ASN 6 HN ASN 6 -14.969 -0.178 -15.786 42 HA ASN 6 HA ASN 6 -15.290 1.432 -13.339 43 1HB ASN 6 HB2 ASN 6 -16.591 1.904 -16.021 44 2HB ASN 6 HB1 ASN 6 -16.405 3.045 -14.714 45 1HD2 ASN 6 HD22 ASN 6 -13.347 4.236 -15.852 46 2HD2 ASN 6 HD21 ASN 6 -14.771 4.447 -14.870 47 H ARG 7 HN ARG 7 -16.859 0.844 -11.955 48 HA ARG 7 HA ARG 7 -19.078 -0.866 -12.934 49 1HB ARG 7 HB2 ARG 7 -17.556 -1.850 -11.263 50 2HB ARG 7 HB1 ARG 7 -17.925 -0.538 -10.150 51 1HG ARG 7 HG2 ARG 7 -20.186 -1.260 -9.900 52 2HG ARG 7 HG1 ARG 7 -20.052 -2.375 -11.260 53 1HD ARG 7 HD2 ARG 7 -18.831 -3.933 -10.048 54 2HD ARG 7 HD1 ARG 7 -18.215 -2.725 -8.917 55 HE ARG 7 HE ARG 7 -21.059 -3.585 -8.893 56 1HH1 ARG 7 HH21 ARG 7 -21.173 -1.844 -6.835 57 2HH1 ARG 7 HH22 ARG 7 -20.446 -2.579 -5.433 58 1HH2 ARG 7 HH11 ARG 7 -18.735 -5.045 -7.295 59 2HH2 ARG 7 HH12 ARG 7 -19.016 -4.403 -5.709 60 H LYS 8 HN LYS 8 -20.967 0.102 -13.160 61 HA LYS 8 HA LYS 8 -21.798 2.211 -11.247 62 1HB LYS 8 HB2 LYS 8 -21.340 3.071 -13.541 63 2HB LYS 8 HB1 LYS 8 -22.593 2.022 -14.160 64 1HG LYS 8 HG2 LYS 8 -23.746 3.440 -11.997 65 2HG LYS 8 HG1 LYS 8 -22.822 4.622 -12.916 66 1HD LYS 8 HD2 LYS 8 -24.163 4.443 -14.772 67 2HD LYS 8 HD1 LYS 8 -24.549 2.751 -14.470 68 1HE LYS 8 HE2 LYS 8 -26.292 3.234 -13.057 69 2HE LYS 8 HE1 LYS 8 -25.565 4.735 -12.503 70 1HZ LYS 8 HZ2 LYS 8 -26.065 5.444 -14.971 71 2HZ LYS 8 HZ1 LYS 8 -27.271 4.240 -14.814 72 3HZ LYS 8 HZ3 LYS 8 -27.239 5.565 -13.743 73 H HIS 9 HN HIS 9 -23.305 1.403 -9.981 74 HA HIS 9 HA HIS 9 -24.893 -0.893 -10.730 75 1HB HIS 9 HB2 HIS 9 -25.858 -0.677 -8.444 76 2HB HIS 9 HB1 HIS 9 -24.114 -0.845 -8.473 77 HD1 HIS 9 HD1 HIS 9 -25.389 0.231 -5.991 78 HD2 HIS 9 HD2 HIS 9 -24.117 2.718 -9.054 79 HE1 HIS 9 HE1 HIS 9 -25.023 2.463 -4.915 80 H GLU 10 HN GLU 10 -26.474 -0.545 -12.161 81 HA GLU 10 HA GLU 10 -28.092 1.885 -12.151 82 1HB GLU 10 HB2 GLU 10 -27.322 0.797 -14.261 83 2HB GLU 10 HB1 GLU 10 -28.320 -0.597 -13.872 84 1HG GLU 10 HG2 GLU 10 -29.609 0.692 -15.382 85 2HG GLU 10 HG1 GLU 10 -30.299 1.018 -13.798 86 H TRP 11 HN TRP 11 -28.436 -1.550 -11.432 87 HA TRP 11 HA TRP 11 -30.844 -1.002 -9.846 88 1HB TRP 11 HB2 TRP 11 -31.639 -1.722 -12.082 89 2HB TRP 11 HB1 TRP 11 -30.682 -3.188 -11.946 90 HD1 TRP 11 HD1 TRP 11 -33.664 -1.479 -10.080 91 HE1 TRP 11 HE1 TRP 11 -35.151 -3.341 -9.152 92 HE3 TRP 11 HE3 TRP 11 -30.903 -5.576 -11.427 93 HZ2 TRP 11 HZ2 TRP 11 -35.180 -6.143 -8.990 94 HZ3 TRP 11 HZ3 TRP 11 -31.722 -7.817 -10.853 95 HH2 TRP 11 HH2 TRP 11 -33.841 -8.105 -9.644 96 H GLU 12 HN GLU 12 -30.656 -1.951 -7.931 97 HA GLU 12 HA GLU 12 -29.115 -4.419 -7.581 98 1HB GLU 12 HB2 GLU 12 -28.131 -3.181 -5.455 99 2HB GLU 12 HB1 GLU 12 -27.339 -3.073 -7.023 100 1HG GLU 12 HG2 GLU 12 -28.006 -0.876 -7.371 101 2HG GLU 12 HG1 GLU 12 -29.413 -1.024 -6.320 102 H ALA 13 HN ALA 13 -31.399 -2.057 -6.378 103 HA ALA 13 HA ALA 13 -32.416 -4.021 -4.407 104 1HB ALA 13 HB2 ALA 13 -32.446 -0.993 -4.258 105 2HB ALA 13 HB1 ALA 13 -33.240 -2.072 -3.107 106 3HB ALA 13 HB3 ALA 13 -31.481 -2.085 -3.261 107 H HIS 14 HN HIS 14 -34.697 -4.104 -4.143 108 HA HIS 14 HA HIS 14 -36.171 -3.821 -6.610 109 1HB HIS 14 HB2 HIS 14 -36.991 -4.731 -3.845 110 2HB HIS 14 HB1 HIS 14 -38.059 -4.749 -5.243 111 HD1 HIS 14 HD1 HIS 14 -37.112 -6.250 -7.316 112 HD2 HIS 14 HD2 HIS 14 -35.513 -7.039 -3.578 113 HE1 HIS 14 HE1 HIS 14 -36.095 -8.528 -7.510 114 H ASN 15 HN ASN 15 -35.784 -1.436 -6.623 115 HA ASN 15 HA ASN 15 -37.970 0.019 -5.229 116 1HB ASN 15 HB2 ASN 15 -35.220 1.068 -5.992 117 2HB ASN 15 HB1 ASN 15 -36.536 2.051 -5.354 118 1HD2 ASN 15 HD22 ASN 15 -36.137 0.982 -2.006 119 2HD2 ASN 15 HD21 ASN 15 -37.179 1.760 -3.161 120 H LYS 16 HN LYS 16 -35.717 0.358 -7.943 121 HA LYS 16 HA LYS 16 -37.474 0.104 -10.051 122 1HB LYS 16 HB2 LYS 16 -37.694 2.503 -10.815 123 2HB LYS 16 HB1 LYS 16 -38.703 2.058 -9.453 124 1HG LYS 16 HG2 LYS 16 -37.878 3.781 -8.306 125 2HG LYS 16 HG1 LYS 16 -36.284 3.045 -8.356 126 1HD LYS 16 HD2 LYS 16 -35.985 4.098 -10.640 127 2HD LYS 16 HD1 LYS 16 -37.474 4.985 -10.343 128 1HE LYS 16 HE2 LYS 16 -35.367 5.135 -8.244 129 2HE LYS 16 HE1 LYS 16 -35.065 5.988 -9.752 130 1HZ LYS 16 HZ1 LYS 16 -37.699 6.384 -8.592 131 2HZ LYS 16 HZ3 LYS 16 -36.396 7.031 -7.707 132 3HZ LYS 16 HZ2 LYS 16 -36.632 7.500 -9.328 133 H LYS 17 HN LYS 17 -35.006 2.525 -9.211 134 HA LYS 17 HA LYS 17 -32.888 1.186 -10.612 135 1HB LYS 17 HB2 LYS 17 -34.173 3.639 -11.831 136 2HB LYS 17 HB1 LYS 17 -32.475 3.261 -12.109 137 1HG LYS 17 HG2 LYS 17 -33.513 0.869 -12.722 138 2HG LYS 17 HG1 LYS 17 -34.914 1.867 -13.096 139 1HD LYS 17 HD2 LYS 17 -32.140 2.118 -14.261 140 2HD LYS 17 HD1 LYS 17 -33.585 1.568 -15.096 141 1HE LYS 17 HE2 LYS 17 -33.686 3.719 -15.805 142 2HE LYS 17 HE1 LYS 17 -34.441 3.989 -14.239 143 1HZ LYS 17 HZ3 LYS 17 -31.521 4.099 -14.369 144 2HZ LYS 17 HZ2 LYS 17 -32.394 5.398 -15.058 145 3HZ LYS 17 HZ1 LYS 17 -32.604 4.999 -13.411 146 H ALA 18 HN ALA 18 -30.866 2.429 -10.399 147 HA ALA 18 HA ALA 18 -30.691 3.659 -7.785 148 1HB ALA 18 HB3 ALA 18 -29.005 2.057 -8.795 149 2HB ALA 18 HB2 ALA 18 -28.484 3.390 -9.828 150 3HB ALA 18 HB1 ALA 18 -28.335 3.522 -8.074 151 H SER 19 HN SER 19 -29.479 5.682 -7.431 152 HA SER 19 HA SER 19 -30.616 7.884 -8.862 153 1HB SER 19 HB2 SER 19 -28.265 8.117 -7.000 154 2HB SER 19 HB1 SER 19 -29.594 9.250 -7.258 155 HG SER 19 HG SER 19 -29.657 6.732 -5.913 156 H SER 20 HN SER 20 -27.832 5.997 -9.423 157 HA SER 20 HA SER 20 -26.196 6.055 -10.987 158 1HB SER 20 HB2 SER 20 -27.578 8.470 -12.079 159 2HB SER 20 HB1 SER 20 -26.345 7.543 -12.901 160 HG SER 20 HG SER 20 -28.907 6.599 -12.082 161 H ARG 21 HN ARG 21 -24.677 8.019 -12.105 162 HA ARG 21 HA ARG 21 -23.067 9.617 -11.745 163 1HB ARG 21 HB2 ARG 21 -24.051 10.003 -8.913 164 2HB ARG 21 HB1 ARG 21 -23.041 11.076 -9.865 165 1HG ARG 21 HG2 ARG 21 -25.122 11.090 -11.491 166 2HG ARG 21 HG1 ARG 21 -25.987 10.626 -10.023 167 1HD ARG 21 HD2 ARG 21 -24.966 12.595 -8.867 168 2HD ARG 21 HD1 ARG 21 -24.278 13.088 -10.415 169 HE ARG 21 HE ARG 21 -27.097 13.226 -9.611 170 1HH1 ARG 21 HH11 ARG 21 -28.170 12.622 -11.907 171 2HH1 ARG 21 HH12 ARG 21 -27.720 13.772 -13.145 172 1HH2 ARG 21 HH21 ARG 21 -24.993 15.059 -11.300 173 2HH2 ARG 21 HH22 ARG 21 -25.910 15.198 -12.779 174 H SER 22 HN SER 22 -23.668 6.985 -9.637 175 HA SER 22 HA SER 22 -21.069 6.938 -8.381 176 1HB SER 22 HB2 SER 22 -23.199 4.796 -8.442 177 2HB SER 22 HB1 SER 22 -21.834 4.906 -7.334 178 HG SER 22 HG SER 22 -23.219 5.955 -6.118 179 H TRP 23 HN TRP 23 -19.634 6.846 -10.114 180 HA TRP 23 HA TRP 23 -19.544 4.317 -11.670 181 1HB TRP 23 HB2 TRP 23 -18.809 7.148 -12.313 182 2HB TRP 23 HB1 TRP 23 -17.749 5.895 -12.945 183 HD1 TRP 23 HD1 TRP 23 -20.932 7.673 -13.767 184 HE1 TRP 23 HE1 TRP 23 -22.096 6.512 -15.729 185 HE3 TRP 23 HE3 TRP 23 -18.218 3.338 -13.960 186 HZ2 TRP 23 HZ2 TRP 23 -21.921 4.084 -17.182 187 HZ3 TRP 23 HZ3 TRP 23 -18.746 1.659 -15.659 188 HH2 TRP 23 HH2 TRP 23 -20.578 2.017 -17.260 189 H HIS 24 HN HIS 24 -18.480 3.044 -10.241 190 HA HIS 24 HA HIS 24 -16.155 4.005 -8.768 191 1HB HIS 24 HB2 HIS 24 -18.147 2.553 -7.905 192 2HB HIS 24 HB1 HIS 24 -17.274 1.217 -8.634 193 HD1 HIS 24 HD1 HIS 24 -17.800 1.947 -5.490 194 HD2 HIS 24 HD2 HIS 24 -14.238 2.109 -7.580 195 HE1 HIS 24 HE1 HIS 24 -16.014 1.803 -3.743 196 H ASN 25 HN ASN 25 -14.143 3.707 -9.401 197 HA ASN 25 HA ASN 25 -13.456 1.933 -11.636 198 1HB ASN 25 HB2 ASN 25 -12.302 3.976 -11.801 199 2HB ASN 25 HB1 ASN 25 -12.052 4.101 -10.065 200 1HD2 ASN 25 HD22 ASN 25 -9.453 1.901 -12.351 201 2HD2 ASN 25 HD21 ASN 25 -11.066 2.219 -12.914 202 H VAL 26 HN VAL 26 -13.473 -0.179 -10.979 203 HA VAL 26 HA VAL 26 -11.885 -0.907 -8.581 204 HB VAL 26 HB VAL 26 -14.412 -0.948 -8.305 205 1HG1 VAL 26 HG13 VAL 26 -14.873 -1.910 -10.568 206 2HG1 VAL 26 HG12 VAL 26 -14.252 -3.454 -9.979 207 3HG1 VAL 26 HG11 VAL 26 -15.684 -2.737 -9.241 208 1HG2 VAL 26 HG22 VAL 26 -12.735 -2.183 -6.895 209 2HG2 VAL 26 HG21 VAL 26 -14.370 -2.842 -6.901 210 3HG2 VAL 26 HG23 VAL 26 -13.107 -3.621 -7.851 211 H TYR 27 HN TYR 27 -11.011 -3.033 -8.584 212 HA TYR 27 HA TYR 27 -10.250 -3.992 -11.263 213 1HB TYR 27 HB2 TYR 27 -8.622 -3.354 -9.326 214 2HB TYR 27 HB1 TYR 27 -9.060 -4.910 -8.655 215 HD1 TYR 27 HD2 TYR 27 -8.694 -6.992 -10.151 216 HD2 TYR 27 HD1 TYR 27 -6.960 -3.169 -10.938 217 HE1 TYR 27 HE2 TYR 27 -6.986 -8.061 -11.581 218 HE2 TYR 27 HE1 TYR 27 -5.257 -4.232 -12.355 219 HH TYR 27 HH TYR 27 -4.837 -7.671 -12.505 220 H CYS 28 HN CYS 28 -11.607 -5.523 -12.002 221 HA CYS 28 HA CYS 28 -12.967 -7.342 -10.139 222 1HB CYS 28 HB2 CYS 28 -13.334 -7.166 -13.130 223 2HB CYS 28 HB1 CYS 28 -14.426 -7.869 -11.941 224 HG CYS 28 HG CYS 28 -13.948 -4.853 -11.618 225 H VAL 29 HN VAL 29 -12.661 -9.518 -10.068 226 HA VAL 29 HA VAL 29 -10.761 -10.806 -11.932 227 HB VAL 29 HB VAL 29 -10.684 -10.996 -8.914 228 1HG1 VAL 29 HG13 VAL 29 -9.592 -12.736 -11.020 229 2HG1 VAL 29 HG12 VAL 29 -8.413 -12.219 -9.813 230 3HG1 VAL 29 HG11 VAL 29 -9.878 -13.060 -9.307 231 1HG2 VAL 29 HG23 VAL 29 -8.984 -9.574 -10.914 232 2HG2 VAL 29 HG22 VAL 29 -9.596 -9.016 -9.356 233 3HG2 VAL 29 HG21 VAL 29 -8.269 -10.174 -9.418 234 H ILE 30 HN ILE 30 -11.517 -12.721 -12.641 235 HA ILE 30 HA ILE 30 -13.865 -13.934 -11.280 236 HB ILE 30 HB ILE 30 -12.961 -14.670 -14.052 237 1HG1 ILE 30 HG12 ILE 30 -14.691 -12.286 -13.333 238 2HG1 ILE 30 HG11 ILE 30 -13.124 -12.239 -14.137 239 1HG2 ILE 30 HG21 ILE 30 -14.732 -15.949 -12.785 240 2HG2 ILE 30 HG23 ILE 30 -15.741 -14.506 -12.889 241 3HG2 ILE 30 HG22 ILE 30 -15.225 -15.335 -14.359 242 1HD1 ILE 30 HD13 ILE 30 -14.165 -13.649 -15.974 243 2HD1 ILE 30 HD12 ILE 30 -15.726 -13.315 -15.215 244 3HD1 ILE 30 HD11 ILE 30 -14.750 -11.988 -15.849 245 H ASN 31 HN ASN 31 -13.794 -16.076 -10.656 246 HA ASN 31 HA ASN 31 -11.372 -17.644 -11.245 247 1HB ASN 31 HB2 ASN 31 -11.246 -16.329 -8.977 248 2HB ASN 31 HB1 ASN 31 -12.372 -17.555 -8.399 249 1HD2 ASN 31 HD22 ASN 31 -9.800 -19.861 -7.855 250 2HD2 ASN 31 HD21 ASN 31 -11.382 -19.248 -7.456 251 H ASN 32 HN ASN 32 -13.593 -18.128 -12.533 252 HA ASN 32 HA ASN 32 -15.066 -19.754 -13.139 253 1HB ASN 32 HB2 ASN 32 -13.484 -21.303 -11.089 254 2HB ASN 32 HB1 ASN 32 -14.829 -22.025 -11.960 255 1HD2 ASN 32 HD22 ASN 32 -11.250 -21.715 -13.721 256 2HD2 ASN 32 HD21 ASN 32 -11.538 -21.368 -12.042 257 H GLN 33 HN GLN 33 -17.128 -19.499 -12.829 258 HA GLN 33 HA GLN 33 -19.217 -19.618 -11.925 259 1HB GLN 33 HB2 GLN 33 -18.079 -21.657 -10.705 260 2HB GLN 33 HB1 GLN 33 -18.237 -20.625 -9.283 261 1HG GLN 33 HG2 GLN 33 -20.675 -20.379 -9.801 262 2HG GLN 33 HG1 GLN 33 -20.468 -21.529 -11.120 263 1HE2 GLN 33 HE22 GLN 33 -20.853 -22.837 -7.320 264 2HE2 GLN 33 HE21 GLN 33 -20.949 -21.155 -7.756 265 H GLU 34 HN GLU 34 -16.704 -18.134 -9.931 266 HA GLU 34 HA GLU 34 -18.618 -16.033 -9.167 267 1HB GLU 34 HB2 GLU 34 -16.658 -17.308 -7.236 268 2HB GLU 34 HB1 GLU 34 -17.782 -15.997 -6.873 269 1HG GLU 34 HG2 GLU 34 -19.593 -17.733 -7.700 270 2HG GLU 34 HG1 GLU 34 -18.342 -18.916 -7.328 271 H MET 35 HN MET 35 -17.504 -14.104 -8.313 272 HA MET 35 HA MET 35 -14.759 -13.718 -9.299 273 1HB MET 35 HB2 MET 35 -15.448 -11.543 -10.314 274 2HB MET 35 HB1 MET 35 -16.127 -12.940 -11.138 275 1HG MET 35 HG2 MET 35 -18.259 -12.609 -9.990 276 2HG MET 35 HG1 MET 35 -17.583 -11.256 -9.089 277 1HE MET 35 HE2 MET 35 -19.229 -9.535 -9.633 278 2HE MET 35 HE1 MET 35 -19.769 -9.041 -11.237 279 3HE MET 35 HE3 MET 35 -20.280 -10.598 -10.566 280 H GLY 36 HN GLY 36 -13.854 -11.644 -8.507 281 1HA GLY 36 HA2 GLY 36 -15.029 -10.746 -5.944 282 2HA GLY 36 HA1 GLY 36 -13.342 -11.242 -6.033 283 H PHE 37 HN PHE 37 -14.791 -8.614 -5.510 284 HA PHE 37 HA PHE 37 -13.610 -6.895 -7.607 285 1HB PHE 37 HB2 PHE 37 -15.592 -6.306 -5.392 286 2HB PHE 37 HB1 PHE 37 -14.922 -5.090 -6.470 287 HD1 PHE 37 HD1 PHE 37 -15.170 -5.668 -9.055 288 HD2 PHE 37 HD2 PHE 37 -17.645 -7.223 -5.940 289 HE1 PHE 37 HE1 PHE 37 -16.935 -6.155 -10.702 290 HE2 PHE 37 HE2 PHE 37 -19.408 -7.707 -7.591 291 HZ PHE 37 HZ PHE 37 -19.086 -7.125 -9.952 292 H TYR 38 HN TYR 38 -11.619 -6.197 -7.203 293 HA TYR 38 HA TYR 38 -10.781 -5.684 -4.400 294 1HB TYR 38 HB2 TYR 38 -9.049 -6.574 -6.720 295 2HB TYR 38 HB1 TYR 38 -8.523 -6.310 -5.061 296 HD1 TYR 38 HD1 TYR 38 -9.178 -7.853 -3.286 297 HD2 TYR 38 HD2 TYR 38 -10.289 -8.552 -7.341 298 HE1 TYR 38 HE1 TYR 38 -9.765 -10.174 -2.718 299 HE2 TYR 38 HE2 TYR 38 -10.874 -10.876 -6.775 300 HH TYR 38 HH TYR 38 -11.590 -11.973 -4.025 301 H LYS 39 HN LYS 39 -8.905 -4.099 -4.311 302 HA LYS 39 HA LYS 39 -9.757 -1.642 -5.511 303 1HB LYS 39 HB2 LYS 39 -8.742 -1.873 -3.225 304 2HB LYS 39 HB1 LYS 39 -7.184 -2.127 -4.003 305 1HG LYS 39 HG2 LYS 39 -7.066 0.056 -4.789 306 2HG LYS 39 HG1 LYS 39 -8.814 0.267 -4.778 307 1HD LYS 39 HD2 LYS 39 -8.477 1.455 -2.904 308 2HD LYS 39 HD1 LYS 39 -8.294 -0.107 -2.115 309 1HE LYS 39 HE2 LYS 39 -6.435 1.365 -1.521 310 2HE LYS 39 HE1 LYS 39 -5.854 0.001 -2.473 311 1HZ LYS 39 HZ3 LYS 39 -6.582 2.231 -4.107 312 2HZ LYS 39 HZ2 LYS 39 -5.367 2.626 -2.971 313 3HZ LYS 39 HZ1 LYS 39 -5.139 1.334 -4.062 314 H ASP 40 HN ASP 40 -6.809 -3.630 -5.945 315 HA ASP 40 HA ASP 40 -6.532 -2.618 -8.669 316 1HB ASP 40 HB2 ASP 40 -4.374 -1.705 -8.440 317 2HB ASP 40 HB1 ASP 40 -5.247 -1.074 -7.050 318 H ALA 41 HN ALA 41 -4.051 -3.590 -9.268 319 HA ALA 41 HA ALA 41 -4.514 -6.357 -9.664 320 1HB ALA 41 HB3 ALA 41 -3.126 -4.883 -11.145 321 2HB ALA 41 HB2 ALA 41 -1.873 -4.898 -9.904 322 3HB ALA 41 HB1 ALA 41 -2.338 -6.401 -10.703 323 H LYS 42 HN LYS 42 -2.486 -4.580 -7.351 324 HA LYS 42 HA LYS 42 -1.185 -6.841 -6.206 325 1HB LYS 42 HB2 LYS 42 -1.773 -4.114 -5.022 326 2HB LYS 42 HB1 LYS 42 -0.687 -5.300 -4.315 327 1HG LYS 42 HG2 LYS 42 -0.271 -4.383 -7.149 328 2HG LYS 42 HG1 LYS 42 0.270 -3.377 -5.811 329 1HD LYS 42 HD2 LYS 42 2.163 -4.577 -5.848 330 2HD LYS 42 HD1 LYS 42 1.230 -5.881 -5.116 331 1HE LYS 42 HE2 LYS 42 0.597 -6.401 -7.634 332 2HE LYS 42 HE1 LYS 42 2.079 -5.510 -7.965 333 1HZ LYS 42 HZ2 LYS 42 2.928 -7.148 -6.053 334 2HZ LYS 42 HZ1 LYS 42 1.711 -8.125 -6.751 335 3HZ LYS 42 HZ3 LYS 42 2.984 -7.533 -7.715 336 H SER 43 HN SER 43 -4.056 -4.969 -5.247 337 HA SER 43 HA SER 43 -4.749 -6.447 -2.939 338 1HB SER 43 HB2 SER 43 -6.624 -4.983 -4.801 339 2HB SER 43 HB1 SER 43 -6.915 -5.392 -3.113 340 HG SER 43 HG SER 43 -4.985 -3.562 -4.157 341 H ALA 44 HN ALA 44 -5.531 -6.932 -6.346 342 HA ALA 44 HA ALA 44 -7.513 -8.905 -6.081 343 1HB ALA 44 HB1 ALA 44 -5.748 -7.926 -8.262 344 2HB ALA 44 HB3 ALA 44 -6.466 -9.521 -8.479 345 3HB ALA 44 HB2 ALA 44 -7.499 -8.115 -8.225 346 H ALA 45 HN ALA 45 -4.016 -9.252 -6.691 347 HA ALA 45 HA ALA 45 -4.018 -12.109 -6.576 348 1HB ALA 45 HB2 ALA 45 -1.753 -10.116 -6.342 349 2HB ALA 45 HB1 ALA 45 -1.547 -11.861 -6.522 350 3HB ALA 45 HB3 ALA 45 -2.305 -10.921 -7.812 351 H SER 46 HN SER 46 -3.021 -9.603 -4.213 352 HA SER 46 HA SER 46 -2.147 -11.303 -2.183 353 1HB SER 46 HB2 SER 46 -3.282 -8.504 -2.086 354 2HB SER 46 HB1 SER 46 -2.285 -9.266 -0.884 355 HG SER 46 HG SER 46 -1.575 -8.295 -3.393 356 H GLY 47 HN GLY 47 -5.363 -10.126 -3.030 357 1HA GLY 47 HA2 GLY 47 -7.422 -10.986 -2.381 358 2HA GLY 47 HA1 GLY 47 -6.609 -12.011 -1.202 359 H ILE 48 HN ILE 48 -6.609 -8.480 -1.679 360 HA ILE 48 HA ILE 48 -7.191 -8.090 1.177 361 HB ILE 48 HB ILE 48 -6.141 -6.281 -0.998 362 1HG1 ILE 48 HG12 ILE 48 -4.872 -6.915 1.658 363 2HG1 ILE 48 HG11 ILE 48 -4.696 -8.004 0.287 364 1HG2 ILE 48 HG23 ILE 48 -7.016 -5.532 1.796 365 2HG2 ILE 48 HG22 ILE 48 -5.913 -4.554 0.827 366 3HG2 ILE 48 HG21 ILE 48 -7.560 -4.843 0.263 367 1HD1 ILE 48 HD13 ILE 48 -3.928 -5.081 0.266 368 2HD1 ILE 48 HD12 ILE 48 -2.809 -6.427 0.484 369 3HD1 ILE 48 HD11 ILE 48 -3.680 -6.245 -1.038 370 HA PRO 49 HA PRO 49 -11.445 -7.414 0.014 371 1HB PRO 49 HB2 PRO 49 -12.374 -6.611 2.444 372 2HB PRO 49 HB1 PRO 49 -12.051 -8.296 2.008 373 1HG PRO 49 HG2 PRO 49 -10.381 -6.390 3.591 374 2HG PRO 49 HG1 PRO 49 -10.675 -8.116 3.859 375 1HD PRO 49 HD2 PRO 49 -8.397 -7.149 2.716 376 2HD PRO 49 HD1 PRO 49 -9.059 -8.755 2.351 377 H TYR 50 HN TYR 50 -12.120 -5.786 -1.137 378 HA TYR 50 HA TYR 50 -11.783 -2.983 -0.228 379 1HB TYR 50 HB2 TYR 50 -10.512 -3.629 -2.298 380 2HB TYR 50 HB1 TYR 50 -12.044 -4.013 -3.069 381 HD1 TYR 50 HD1 TYR 50 -10.623 -1.173 -1.074 382 HD2 TYR 50 HD2 TYR 50 -12.824 -2.401 -4.520 383 HE1 TYR 50 HE1 TYR 50 -10.863 1.179 -1.760 384 HE2 TYR 50 HE2 TYR 50 -13.056 -0.048 -5.208 385 HH TYR 50 HH TYR 50 -12.886 2.407 -3.471 386 H HIS 51 HN HIS 51 -13.624 -2.172 0.449 387 HA HIS 51 HA HIS 51 -15.812 -1.539 0.558 388 1HB HIS 51 HB2 HIS 51 -15.552 -2.184 -2.168 389 2HB HIS 51 HB1 HIS 51 -16.980 -3.061 -1.643 390 HD1 HIS 51 HD1 HIS 51 -19.090 -1.705 -1.536 391 HD2 HIS 51 HD2 HIS 51 -15.702 0.685 -1.520 392 HE1 HIS 51 HE1 HIS 51 -19.955 0.645 -1.653 393 H SER 52 HN SER 52 -18.155 -2.834 0.320 394 HA SER 52 HA SER 52 -17.923 -4.949 2.314 395 1HB SER 52 HB2 SER 52 -20.597 -4.721 1.806 396 2HB SER 52 HB1 SER 52 -19.722 -3.754 2.989 397 HG SER 52 HG SER 52 -20.328 -3.027 0.285 398 H GLU 53 HN GLU 53 -19.308 -4.530 -0.920 399 HA GLU 53 HA GLU 53 -20.017 -7.315 -1.227 400 1HB GLU 53 HB2 GLU 53 -20.760 -6.580 -3.465 401 2HB GLU 53 HB1 GLU 53 -21.409 -5.571 -2.179 402 1HG GLU 53 HG2 GLU 53 -18.849 -4.634 -3.365 403 2HG GLU 53 HG1 GLU 53 -20.247 -4.589 -4.429 404 H VAL 54 HN VAL 54 -17.536 -7.759 -0.736 405 HA VAL 54 HA VAL 54 -15.739 -7.424 -2.957 406 HB VAL 54 HB VAL 54 -15.120 -9.466 -0.885 407 1HG1 VAL 54 HG13 VAL 54 -13.602 -8.610 -2.770 408 2HG1 VAL 54 HG12 VAL 54 -13.442 -7.151 -1.792 409 3HG1 VAL 54 HG11 VAL 54 -12.928 -8.711 -1.144 410 1HG2 VAL 54 HG21 VAL 54 -15.585 -6.561 -0.295 411 2HG2 VAL 54 HG23 VAL 54 -16.042 -7.981 0.655 412 3HG2 VAL 54 HG22 VAL 54 -14.354 -7.471 0.586 413 HA PRO 55 HA PRO 55 -16.603 -11.971 -3.958 414 1HB PRO 55 HB2 PRO 55 -18.094 -13.526 -2.303 415 2HB PRO 55 HB1 PRO 55 -16.373 -13.209 -2.057 416 1HG PRO 55 HG2 PRO 55 -18.656 -12.275 -0.499 417 2HG PRO 55 HG1 PRO 55 -16.934 -12.242 -0.095 418 1HD PRO 55 HD2 PRO 55 -18.612 -10.096 -1.139 419 2HD PRO 55 HD1 PRO 55 -16.976 -10.010 -0.468 420 H VAL 56 HN VAL 56 -17.943 -12.298 -5.671 421 HA VAL 56 HA VAL 56 -20.863 -12.186 -5.313 422 HB VAL 56 HB VAL 56 -19.314 -10.577 -7.361 423 1HG1 VAL 56 HG11 VAL 56 -22.242 -11.245 -7.181 424 2HG1 VAL 56 HG13 VAL 56 -21.670 -9.788 -7.995 425 3HG1 VAL 56 HG12 VAL 56 -21.162 -11.374 -8.570 426 1HG2 VAL 56 HG21 VAL 56 -20.933 -9.867 -4.936 427 2HG2 VAL 56 HG23 VAL 56 -19.375 -9.232 -5.470 428 3HG2 VAL 56 HG22 VAL 56 -20.855 -8.748 -6.297 429 H SER 57 HN SER 57 -21.935 -13.637 -6.586 430 HA SER 57 HA SER 57 -20.404 -15.673 -7.922 431 1HB SER 57 HB2 SER 57 -23.381 -15.436 -7.695 432 2HB SER 57 HB1 SER 57 -22.430 -16.885 -7.928 433 HG SER 57 HG SER 57 -21.532 -16.554 -5.818 434 H LEU 58 HN LEU 58 -20.547 -16.264 -10.066 435 HA LEU 58 HA LEU 58 -21.983 -14.527 -11.967 436 1HB LEU 58 HB2 LEU 58 -19.450 -13.951 -11.566 437 2HB LEU 58 HB1 LEU 58 -19.157 -15.393 -12.531 438 HG LEU 58 HG LEU 58 -20.740 -14.353 -14.257 439 1HD1 LEU 58 HD11 LEU 58 -20.530 -12.165 -12.273 440 2HD1 LEU 58 HD13 LEU 58 -20.479 -11.713 -13.975 441 3HD1 LEU 58 HD12 LEU 58 -21.861 -12.605 -13.342 442 1HD2 LEU 58 HD22 LEU 58 -17.963 -13.954 -13.761 443 2HD2 LEU 58 HD21 LEU 58 -18.819 -13.988 -15.301 444 3HD2 LEU 58 HD23 LEU 58 -18.632 -12.468 -14.435 445 H LYS 59 HN LYS 59 -22.950 -16.930 -11.223 446 HA LYS 59 HA LYS 59 -22.002 -19.014 -13.051 447 1HB LYS 59 HB2 LYS 59 -22.741 -19.321 -10.585 448 2HB LYS 59 HB1 LYS 59 -24.381 -19.225 -11.212 449 1HG LYS 59 HG2 LYS 59 -24.070 -21.152 -12.583 450 2HG LYS 59 HG1 LYS 59 -22.328 -21.144 -12.320 451 1HD LYS 59 HD2 LYS 59 -22.922 -22.793 -10.827 452 2HD LYS 59 HD1 LYS 59 -23.058 -21.388 -9.773 453 1HE LYS 59 HE2 LYS 59 -25.132 -22.175 -9.344 454 2HE LYS 59 HE1 LYS 59 -25.549 -21.454 -10.896 455 1HZ LYS 59 HZ2 LYS 59 -25.015 -23.612 -11.940 456 2HZ LYS 59 HZ1 LYS 59 -24.798 -24.281 -10.387 457 3HZ LYS 59 HZ3 LYS 59 -26.332 -23.683 -10.856 458 H GLU 60 HN GLU 60 -22.575 -18.358 -15.085 459 HA GLU 60 HA GLU 60 -23.847 -18.148 -16.961 460 1HB GLU 60 HB2 GLU 60 -26.194 -19.064 -15.278 461 2HB GLU 60 HB1 GLU 60 -26.075 -19.067 -17.033 462 1HG GLU 60 HG2 GLU 60 -23.975 -20.586 -16.621 463 2HG GLU 60 HG1 GLU 60 -24.714 -20.856 -15.042 464 H ALA 61 HN ALA 61 -23.275 -15.850 -16.079 465 HA ALA 61 HA ALA 61 -25.612 -14.203 -15.438 466 1HB ALA 61 HB3 ALA 61 -23.376 -13.826 -14.374 467 2HB ALA 61 HB2 ALA 61 -22.754 -13.338 -15.953 468 3HB ALA 61 HB1 ALA 61 -24.035 -12.400 -15.177 469 H ILE 62 HN ILE 62 -26.477 -12.650 -16.788 470 HA ILE 62 HA ILE 62 -26.006 -13.041 -19.658 471 HB ILE 62 HB ILE 62 -28.153 -11.374 -18.339 472 1HG1 ILE 62 HG12 ILE 62 -28.373 -13.644 -17.483 473 2HG1 ILE 62 HG11 ILE 62 -29.653 -13.307 -18.645 474 1HG2 ILE 62 HG23 ILE 62 -27.417 -11.980 -21.075 475 2HG2 ILE 62 HG22 ILE 62 -29.080 -12.459 -20.728 476 3HG2 ILE 62 HG21 ILE 62 -28.564 -10.795 -20.454 477 1HD1 ILE 62 HD11 ILE 62 -28.357 -14.498 -20.397 478 2HD1 ILE 62 HD13 ILE 62 -27.133 -14.890 -19.187 479 3HD1 ILE 62 HD12 ILE 62 -28.763 -15.537 -19.029 480 H CYS 63 HN CYS 63 -25.038 -11.568 -20.918 481 HA CYS 63 HA CYS 63 -24.418 -8.892 -19.788 482 1HB CYS 63 HB2 CYS 63 -22.607 -10.945 -20.475 483 2HB CYS 63 HB1 CYS 63 -22.482 -9.757 -21.756 484 HG CYS 63 HG CYS 63 -21.078 -9.435 -19.287 485 H GLU 64 HN GLU 64 -24.958 -7.202 -21.004 486 HA GLU 64 HA GLU 64 -25.677 -7.601 -23.862 487 1HB GLU 64 HB2 GLU 64 -27.076 -6.021 -21.704 488 2HB GLU 64 HB1 GLU 64 -27.330 -5.692 -23.411 489 1HG GLU 64 HG2 GLU 64 -27.581 -8.543 -22.710 490 2HG GLU 64 HG1 GLU 64 -28.755 -7.511 -21.898 491 H VAL 65 HN VAL 65 -24.989 -6.009 -25.260 492 HA VAL 65 HA VAL 65 -22.825 -4.295 -24.313 493 HB VAL 65 HB VAL 65 -23.874 -4.547 -27.130 494 1HG1 VAL 65 HG11 VAL 65 -21.209 -3.762 -25.948 495 2HG1 VAL 65 HG13 VAL 65 -21.468 -4.075 -27.663 496 3HG1 VAL 65 HG12 VAL 65 -22.312 -2.741 -26.875 497 1HG2 VAL 65 HG23 VAL 65 -22.036 -6.378 -25.604 498 2HG2 VAL 65 HG22 VAL 65 -23.466 -6.796 -26.551 499 3HG2 VAL 65 HG21 VAL 65 -21.994 -6.260 -27.362 500 H ALA 66 HN ALA 66 -22.817 -2.127 -24.191 501 HA ALA 66 HA ALA 66 -25.178 -0.569 -25.084 502 1HB ALA 66 HB3 ALA 66 -23.712 -0.322 -22.435 503 2HB ALA 66 HB2 ALA 66 -24.927 0.810 -23.027 504 3HB ALA 66 HB1 ALA 66 -25.377 -0.855 -22.668 505 H LEU 67 HN LEU 67 -24.053 0.087 -26.909 506 HA LEU 67 HA LEU 67 -21.416 1.247 -26.766 507 1HB LEU 67 HB2 LEU 67 -22.878 0.104 -28.759 508 2HB LEU 67 HB1 LEU 67 -23.078 1.809 -29.145 509 HG LEU 67 HG LEU 67 -20.399 0.500 -28.642 510 1HD1 LEU 67 HD12 LEU 67 -22.013 0.764 -31.138 511 2HD1 LEU 67 HD11 LEU 67 -20.259 0.916 -31.230 512 3HD1 LEU 67 HD13 LEU 67 -20.982 -0.561 -30.594 513 1HD2 LEU 67 HD22 LEU 67 -21.283 3.226 -29.501 514 2HD2 LEU 67 HD21 LEU 67 -20.031 2.760 -28.345 515 3HD2 LEU 67 HD23 LEU 67 -19.743 2.589 -30.076 516 H ASP 68 HN ASP 68 -24.725 2.536 -27.102 517 HA ASP 68 HA ASP 68 -23.654 5.293 -26.859 518 1HB ASP 68 HB2 ASP 68 -25.034 4.766 -28.860 519 2HB ASP 68 HB1 ASP 68 -26.387 4.384 -27.799 520 H TYR 69 HN TYR 69 -23.375 4.846 -24.513 521 HA TYR 69 HA TYR 69 -25.859 5.454 -23.049 522 1HB TYR 69 HB2 TYR 69 -25.108 3.063 -22.724 523 2HB TYR 69 HB1 TYR 69 -23.675 3.699 -21.927 524 HD1 TYR 69 HD1 TYR 69 -27.402 3.803 -21.788 525 HD2 TYR 69 HD2 TYR 69 -23.735 4.268 -19.652 526 HE1 TYR 69 HE1 TYR 69 -28.660 4.103 -19.691 527 HE2 TYR 69 HE2 TYR 69 -24.997 4.555 -17.555 528 HH TYR 69 HH TYR 69 -27.725 3.671 -16.883 529 H LYS 70 HN LYS 70 -25.303 7.641 -23.104 530 HA LYS 70 HA LYS 70 -24.402 9.596 -22.362 531 1HB LYS 70 HB2 LYS 70 -23.369 7.934 -20.056 532 2HB LYS 70 HB1 LYS 70 -23.613 9.678 -20.073 533 1HG LYS 70 HG2 LYS 70 -26.086 9.033 -20.696 534 2HG LYS 70 HG1 LYS 70 -25.647 7.478 -20.002 535 1HD LYS 70 HD2 LYS 70 -26.513 8.581 -18.167 536 2HD LYS 70 HD1 LYS 70 -24.790 8.887 -18.008 537 1HE LYS 70 HE2 LYS 70 -25.167 11.084 -19.218 538 2HE LYS 70 HE1 LYS 70 -26.894 10.780 -19.068 539 1HZ LYS 70 HZ1 LYS 70 -26.237 10.458 -16.563 540 2HZ LYS 70 HZ3 LYS 70 -24.943 11.460 -17.008 541 3HZ LYS 70 HZ2 LYS 70 -26.554 12.007 -17.209 542 H LYS 71 HN LYS 71 -22.954 8.852 -24.347 543 HA LYS 71 HA LYS 71 -20.954 9.074 -25.407 544 1HB LYS 71 HB2 LYS 71 -20.031 10.347 -22.819 545 2HB LYS 71 HB1 LYS 71 -19.227 10.467 -24.382 546 1HG LYS 71 HG2 LYS 71 -21.078 11.676 -25.322 547 2HG LYS 71 HG1 LYS 71 -22.048 11.415 -23.878 548 1HD LYS 71 HD2 LYS 71 -20.677 12.864 -22.570 549 2HD LYS 71 HD1 LYS 71 -19.418 12.895 -23.801 550 1HE LYS 71 HE2 LYS 71 -20.856 14.973 -23.656 551 2HE LYS 71 HE1 LYS 71 -20.745 14.242 -25.254 552 1HZ LYS 71 HZ3 LYS 71 -22.934 13.352 -23.553 553 2HZ LYS 71 HZ2 LYS 71 -23.035 14.939 -24.161 554 3HZ LYS 71 HZ1 LYS 71 -22.895 13.621 -25.234 555 H LYS 72 HN LYS 72 -18.600 9.003 -23.109 556 HA LYS 72 HA LYS 72 -17.048 7.463 -22.403 557 1HB LYS 72 HB2 LYS 72 -19.294 5.453 -22.528 558 2HB LYS 72 HB1 LYS 72 -17.819 5.353 -21.577 559 1HG LYS 72 HG2 LYS 72 -18.953 7.777 -20.802 560 2HG LYS 72 HG1 LYS 72 -20.334 6.702 -20.979 561 1HD LYS 72 HD2 LYS 72 -19.675 5.343 -19.248 562 2HD LYS 72 HD1 LYS 72 -17.958 5.646 -19.517 563 1HE LYS 72 HE2 LYS 72 -19.843 7.742 -18.423 564 2HE LYS 72 HE1 LYS 72 -18.938 6.640 -17.389 565 1HZ LYS 72 HZ1 LYS 72 -17.595 8.321 -19.424 566 2HZ LYS 72 HZ3 LYS 72 -17.914 8.893 -17.849 567 3HZ LYS 72 HZ2 LYS 72 -16.910 7.535 -18.079 568 H LYS 73 HN LYS 73 -16.481 4.899 -22.950 569 HA LYS 73 HA LYS 73 -15.856 4.972 -25.825 570 1HB LYS 73 HB2 LYS 73 -14.729 3.127 -23.702 571 2HB LYS 73 HB1 LYS 73 -14.119 3.372 -25.333 572 1HG LYS 73 HG2 LYS 73 -13.661 5.758 -24.733 573 2HG LYS 73 HG1 LYS 73 -14.144 5.395 -23.081 574 1HD LYS 73 HD2 LYS 73 -11.830 5.183 -22.976 575 2HD LYS 73 HD1 LYS 73 -12.358 3.520 -23.200 576 1HE LYS 73 HE2 LYS 73 -10.414 4.110 -24.630 577 2HE LYS 73 HE1 LYS 73 -11.818 3.607 -25.563 578 1HZ LYS 73 HZ3 LYS 73 -11.481 6.460 -25.029 579 2HZ LYS 73 HZ2 LYS 73 -10.444 5.738 -26.181 580 3HZ LYS 73 HZ1 LYS 73 -12.137 5.675 -26.387 581 H HIS 74 HN HIS 74 -16.326 2.205 -23.646 582 HA HIS 74 HA HIS 74 -18.602 1.235 -25.249 583 1HB HIS 74 HB2 HIS 74 -15.896 -0.005 -25.092 584 2HB HIS 74 HB1 HIS 74 -17.259 -1.097 -24.922 585 HD1 HIS 74 HD1 HIS 74 -17.581 1.810 -27.217 586 HD2 HIS 74 HD2 HIS 74 -16.708 -2.225 -27.465 587 HE1 HIS 74 HE1 HIS 74 -17.762 1.261 -29.649 588 H VAL 75 HN VAL 75 -20.167 0.786 -23.834 589 HA VAL 75 HA VAL 75 -19.451 -0.129 -21.103 590 HB VAL 75 HB VAL 75 -21.989 1.246 -22.026 591 1HG1 VAL 75 HG12 VAL 75 -21.035 0.263 -19.365 592 2HG1 VAL 75 HG11 VAL 75 -22.148 1.629 -19.464 593 3HG1 VAL 75 HG13 VAL 75 -22.611 0.066 -20.135 594 1HG2 VAL 75 HG23 VAL 75 -19.667 2.575 -21.895 595 2HG2 VAL 75 HG22 VAL 75 -21.205 3.288 -21.423 596 3HG2 VAL 75 HG21 VAL 75 -20.127 2.641 -20.189 597 H PHE 76 HN PHE 76 -20.784 -1.788 -20.176 598 HA PHE 76 HA PHE 76 -22.669 -3.162 -21.911 599 1HB PHE 76 HB2 PHE 76 -21.679 -5.332 -21.737 600 2HB PHE 76 HB1 PHE 76 -20.512 -4.233 -22.438 601 HD1 PHE 76 HD2 PHE 76 -21.376 -6.219 -19.482 602 HD2 PHE 76 HD1 PHE 76 -18.443 -3.712 -21.307 603 HE1 PHE 76 HE2 PHE 76 -19.710 -6.978 -17.832 604 HE2 PHE 76 HE1 PHE 76 -16.769 -4.478 -19.669 605 HZ PHE 76 HZ PHE 76 -17.397 -6.107 -17.933 606 H LYS 77 HN LYS 77 -24.254 -4.154 -20.828 607 HA LYS 77 HA LYS 77 -24.385 -3.658 -17.934 608 1HB LYS 77 HB2 LYS 77 -26.665 -4.724 -19.548 609 2HB LYS 77 HB1 LYS 77 -26.703 -3.731 -18.100 610 1HG LYS 77 HG2 LYS 77 -25.863 -1.814 -19.403 611 2HG LYS 77 HG1 LYS 77 -25.847 -2.805 -20.859 612 1HD LYS 77 HD2 LYS 77 -28.317 -2.228 -19.219 613 2HD LYS 77 HD1 LYS 77 -27.848 -1.345 -20.672 614 1HE LYS 77 HE2 LYS 77 -29.164 -2.873 -21.724 615 2HE LYS 77 HE1 LYS 77 -27.721 -3.873 -21.625 616 1HZ LYS 77 HZ1 LYS 77 -29.622 -3.930 -19.387 617 2HZ LYS 77 HZ3 LYS 77 -30.025 -4.752 -20.827 618 3HZ LYS 77 HZ2 LYS 77 -28.601 -5.157 -19.977 619 H LEU 78 HN LEU 78 -23.822 -5.238 -16.651 620 HA LEU 78 HA LEU 78 -24.013 -8.044 -17.527 621 1HB LEU 78 HB2 LEU 78 -21.809 -7.284 -16.817 622 2HB LEU 78 HB1 LEU 78 -22.458 -6.747 -15.281 623 HG LEU 78 HG LEU 78 -22.802 -8.900 -14.541 624 1HD1 LEU 78 HD12 LEU 78 -22.676 -9.714 -17.413 625 2HD1 LEU 78 HD11 LEU 78 -22.341 -10.893 -16.149 626 3HD1 LEU 78 HD13 LEU 78 -23.902 -10.083 -16.205 627 1HD2 LEU 78 HD23 LEU 78 -20.241 -8.297 -15.718 628 2HD2 LEU 78 HD22 LEU 78 -20.625 -9.025 -14.158 629 3HD2 LEU 78 HD21 LEU 78 -20.513 -10.035 -15.597 630 H ARG 79 HN ARG 79 -25.920 -8.861 -17.021 631 HA ARG 79 HA ARG 79 -27.326 -8.148 -14.542 632 1HB ARG 79 HB2 ARG 79 -28.471 -8.241 -16.815 633 2HB ARG 79 HB1 ARG 79 -28.276 -9.986 -16.748 634 1HG ARG 79 HG2 ARG 79 -29.386 -9.399 -14.284 635 2HG ARG 79 HG1 ARG 79 -30.184 -8.258 -15.358 636 1HD ARG 79 HD2 ARG 79 -31.537 -10.226 -15.317 637 2HD ARG 79 HD1 ARG 79 -30.721 -10.202 -16.881 638 HE ARG 79 HE ARG 79 -29.086 -11.820 -15.851 639 1HH1 ARG 79 HH21 ARG 79 -30.029 -11.964 -13.065 640 2HH1 ARG 79 HH22 ARG 79 -31.087 -13.347 -13.057 641 1HH2 ARG 79 HH11 ARG 79 -31.519 -13.359 -16.553 642 2HH2 ARG 79 HH12 ARG 79 -31.941 -14.148 -15.050 643 H LEU 80 HN LEU 80 -26.541 -9.212 -12.861 644 HA LEU 80 HA LEU 80 -25.308 -11.776 -12.926 645 1HB LEU 80 HB2 LEU 80 -26.360 -10.058 -10.676 646 2HB LEU 80 HB1 LEU 80 -25.558 -11.598 -10.394 647 HG LEU 80 HG LEU 80 -24.421 -9.076 -11.606 648 1HD1 LEU 80 HD12 LEU 80 -24.449 -9.392 -9.124 649 2HD1 LEU 80 HD11 LEU 80 -23.398 -10.792 -9.346 650 3HD1 LEU 80 HD13 LEU 80 -22.841 -9.187 -9.819 651 1HD2 LEU 80 HD23 LEU 80 -23.376 -11.887 -11.796 652 2HD2 LEU 80 HD22 LEU 80 -23.494 -10.652 -13.053 653 3HD2 LEU 80 HD21 LEU 80 -22.282 -10.505 -11.783 654 H SER 81 HN SER 81 -26.035 -13.758 -12.324 655 HA SER 81 HA SER 81 -28.865 -14.320 -12.527 656 1HB SER 81 HB2 SER 81 -27.816 -16.719 -11.973 657 2HB SER 81 HB1 SER 81 -27.690 -15.994 -13.568 658 HG SER 81 HG SER 81 -25.643 -16.668 -12.986 659 H ASP 82 HN ASP 82 -28.590 -12.693 -10.477 660 HA ASP 82 HA ASP 82 -29.265 -14.305 -8.117 661 1HB ASP 82 HB2 ASP 82 -26.776 -13.482 -8.132 662 2HB ASP 82 HB1 ASP 82 -27.467 -11.898 -7.798 663 H GLY 83 HN GLY 83 -28.801 -10.933 -9.191 664 1HA GLY 83 HA2 GLY 83 -31.252 -9.979 -9.606 665 2HA GLY 83 HA1 GLY 83 -31.253 -10.087 -7.847 666 H ASN 84 HN ASN 84 -28.805 -9.080 -10.280 667 HA ASN 84 HA ASN 84 -28.789 -6.337 -9.293 668 1HB ASN 84 HB2 ASN 84 -26.334 -8.124 -9.097 669 2HB ASN 84 HB1 ASN 84 -26.304 -6.373 -8.947 670 1HD2 ASN 84 HD22 ASN 84 -27.516 -6.318 -5.630 671 2HD2 ASN 84 HD21 ASN 84 -27.175 -5.407 -7.065 672 H GLU 85 HN GLU 85 -27.954 -4.934 -10.833 673 HA GLU 85 HA GLU 85 -26.887 -6.072 -13.346 674 1HB GLU 85 HB2 GLU 85 -29.194 -4.161 -13.015 675 2HB GLU 85 HB1 GLU 85 -28.237 -4.186 -14.491 676 1HG GLU 85 HG2 GLU 85 -28.796 -6.489 -14.900 677 2HG GLU 85 HG1 GLU 85 -29.589 -6.630 -13.331 678 H TYR 86 HN TYR 86 -24.916 -5.228 -13.620 679 HA TYR 86 HA TYR 86 -24.389 -2.460 -12.679 680 1HB TYR 86 HB2 TYR 86 -22.427 -4.750 -12.833 681 2HB TYR 86 HB1 TYR 86 -22.093 -3.125 -12.256 682 HD1 TYR 86 HD1 TYR 86 -23.266 -2.312 -10.165 683 HD2 TYR 86 HD2 TYR 86 -23.252 -6.408 -11.377 684 HE1 TYR 86 HE1 TYR 86 -23.841 -2.997 -7.866 685 HE2 TYR 86 HE2 TYR 86 -23.830 -7.085 -9.082 686 HH TYR 86 HH TYR 86 -24.094 -6.430 -6.977 687 H LEU 87 HN LEU 87 -23.810 -1.063 -14.185 688 HA LEU 87 HA LEU 87 -23.259 -1.764 -16.902 689 1HB LEU 87 HB2 LEU 87 -23.710 0.695 -15.281 690 2HB LEU 87 HB1 LEU 87 -22.768 0.867 -16.751 691 HG LEU 87 HG LEU 87 -24.496 -0.249 -17.972 692 1HD1 LEU 87 HD22 LEU 87 -25.795 -0.406 -15.329 693 2HD1 LEU 87 HD21 LEU 87 -26.775 -0.367 -16.797 694 3HD1 LEU 87 HD23 LEU 87 -25.591 -1.656 -16.558 695 1HD2 LEU 87 HD12 LEU 87 -24.427 2.244 -17.686 696 2HD2 LEU 87 HD11 LEU 87 -26.002 1.584 -18.134 697 3HD2 LEU 87 HD13 LEU 87 -25.684 2.048 -16.460 698 H PHE 88 HN PHE 88 -21.330 -2.602 -17.304 699 HA PHE 88 HA PHE 88 -18.951 -1.636 -15.871 700 1HB PHE 88 HB2 PHE 88 -19.602 -4.121 -17.401 701 2HB PHE 88 HB1 PHE 88 -17.926 -3.663 -17.138 702 HD1 PHE 88 HD1 PHE 88 -17.391 -2.990 -14.609 703 HD2 PHE 88 HD2 PHE 88 -20.559 -5.576 -15.850 704 HE1 PHE 88 HE1 PHE 88 -17.427 -4.019 -12.377 705 HE2 PHE 88 HE2 PHE 88 -20.589 -6.603 -13.614 706 HZ PHE 88 HZ PHE 88 -19.031 -5.826 -11.878 707 H GLN 89 HN GLN 89 -17.605 -0.269 -16.835 708 HA GLN 89 HA GLN 89 -17.745 0.120 -19.764 709 1HB GLN 89 HB2 GLN 89 -18.050 1.995 -17.826 710 2HB GLN 89 HB1 GLN 89 -16.318 2.105 -18.091 711 1HG GLN 89 HG2 GLN 89 -18.029 2.033 -20.523 712 2HG GLN 89 HG1 GLN 89 -18.164 3.472 -19.527 713 1HE2 GLN 89 HE22 GLN 89 -14.488 4.033 -19.967 714 2HE2 GLN 89 HE21 GLN 89 -15.522 3.676 -18.622 715 H ALA 90 HN ALA 90 -16.041 -0.432 -20.967 716 HA ALA 90 HA ALA 90 -13.571 -1.345 -19.628 717 1HB ALA 90 HB1 ALA 90 -14.869 -2.876 -21.171 718 2HB ALA 90 HB3 ALA 90 -14.398 -1.813 -22.499 719 3HB ALA 90 HB2 ALA 90 -13.166 -2.670 -21.567 720 H LYS 91 HN LYS 91 -11.528 -0.940 -20.748 721 HA LYS 91 HA LYS 91 -11.229 1.861 -21.397 722 1HB LYS 91 HB2 LYS 91 -8.813 1.346 -21.405 723 2HB LYS 91 HB1 LYS 91 -9.618 0.821 -19.933 724 1HG LYS 91 HG2 LYS 91 -9.821 -1.462 -21.322 725 2HG LYS 91 HG1 LYS 91 -8.404 -0.801 -22.124 726 1HD LYS 91 HD2 LYS 91 -8.175 -0.529 -19.245 727 2HD LYS 91 HD1 LYS 91 -8.490 -2.203 -19.686 728 1HE LYS 91 HE2 LYS 91 -6.365 -0.557 -21.049 729 2HE LYS 91 HE1 LYS 91 -6.038 -1.464 -19.576 730 1HZ LYS 91 HZ3 LYS 91 -7.103 -3.396 -20.963 731 2HZ LYS 91 HZ2 LYS 91 -6.610 -2.431 -22.281 732 3HZ LYS 91 HZ1 LYS 91 -5.459 -2.976 -21.149 733 H ASP 92 HN ASP 92 -11.087 -1.202 -23.158 734 HA ASP 92 HA ASP 92 -10.946 0.311 -25.693 735 1HB ASP 92 HB2 ASP 92 -8.687 -0.795 -24.847 736 2HB ASP 92 HB1 ASP 92 -9.410 -2.260 -25.499 737 H ASP 93 HN ASP 93 -11.350 -1.189 -27.582 738 HA ASP 93 HA ASP 93 -13.929 -2.372 -27.379 739 1HB ASP 93 HB2 ASP 93 -12.866 -1.312 -29.436 740 2HB ASP 93 HB1 ASP 93 -11.908 -2.779 -29.609 741 H GLU 94 HN GLU 94 -10.673 -3.737 -27.723 742 HA GLU 94 HA GLU 94 -11.370 -6.474 -27.804 743 1HB GLU 94 HB2 GLU 94 -8.836 -5.171 -26.774 744 2HB GLU 94 HB1 GLU 94 -9.022 -6.873 -27.193 745 1HG GLU 94 HG2 GLU 94 -9.649 -6.146 -29.521 746 2HG GLU 94 HG1 GLU 94 -9.224 -4.498 -29.059 747 H GLU 95 HN GLU 95 -10.564 -4.324 -25.107 748 HA GLU 95 HA GLU 95 -10.567 -6.172 -23.000 749 1HB GLU 95 HB2 GLU 95 -9.845 -3.716 -22.981 750 2HB GLU 95 HB1 GLU 95 -11.544 -3.327 -22.774 751 1HG GLU 95 HG2 GLU 95 -10.645 -3.379 -20.581 752 2HG GLU 95 HG1 GLU 95 -11.514 -4.899 -20.766 753 H MET 96 HN MET 96 -13.222 -4.158 -24.272 754 HA MET 96 HA MET 96 -15.262 -4.993 -22.519 755 1HB MET 96 HB2 MET 96 -15.283 -3.061 -24.204 756 2HB MET 96 HB1 MET 96 -15.712 -4.262 -25.415 757 1HG MET 96 HG2 MET 96 -17.528 -4.852 -23.483 758 2HG MET 96 HG1 MET 96 -17.316 -3.132 -23.193 759 1HE MET 96 HE3 MET 96 -17.738 -5.822 -25.699 760 2HE MET 96 HE2 MET 96 -19.182 -5.365 -26.600 761 3HE MET 96 HE1 MET 96 -17.597 -4.840 -27.163 762 H ASN 97 HN ASN 97 -14.217 -6.289 -25.642 763 HA ASN 97 HA ASN 97 -16.196 -8.316 -25.851 764 1HB ASN 97 HB2 ASN 97 -14.510 -7.260 -27.609 765 2HB ASN 97 HB1 ASN 97 -13.502 -8.616 -27.126 766 1HD2 ASN 97 HD22 ASN 97 -15.609 -9.623 -30.031 767 2HD2 ASN 97 HD21 ASN 97 -14.418 -8.404 -29.706 768 H THR 98 HN THR 98 -12.877 -8.286 -24.561 769 HA THR 98 HA THR 98 -12.643 -11.062 -24.044 770 HB THR 98 HB THR 98 -11.306 -8.803 -22.538 771 HG1 THR 98 HG1 THR 98 -10.920 -8.542 -24.748 772 1HG2 THR 98 HG23 THR 98 -10.619 -11.717 -22.926 773 2HG2 THR 98 HG22 THR 98 -9.455 -10.520 -22.358 774 3HG2 THR 98 HG21 THR 98 -10.902 -10.863 -21.411 775 H TRP 99 HN TRP 99 -13.981 -8.393 -22.146 776 HA TRP 99 HA TRP 99 -14.330 -9.865 -19.720 777 1HB TRP 99 HB2 TRP 99 -15.378 -7.253 -20.778 778 2HB TRP 99 HB1 TRP 99 -16.084 -7.940 -19.322 779 HD1 TRP 99 HD1 TRP 99 -13.513 -5.543 -20.220 780 HE1 TRP 99 HE1 TRP 99 -11.784 -5.291 -18.355 781 HE3 TRP 99 HE3 TRP 99 -14.618 -9.685 -17.404 782 HZ2 TRP 99 HZ2 TRP 99 -10.975 -6.611 -16.018 783 HZ3 TRP 99 HZ3 TRP 99 -13.314 -10.123 -15.356 784 HH2 TRP 99 HH2 TRP 99 -11.517 -8.604 -14.672 785 H ILE 100 HN ILE 100 -16.601 -8.946 -22.331 786 HA ILE 100 HA ILE 100 -18.876 -10.243 -21.294 787 HB ILE 100 HB ILE 100 -18.090 -9.478 -24.099 788 1HG1 ILE 100 HG12 ILE 100 -20.090 -8.331 -22.135 789 2HG1 ILE 100 HG11 ILE 100 -18.506 -7.655 -22.492 790 1HG2 ILE 100 HG21 ILE 100 -20.482 -10.996 -23.157 791 2HG2 ILE 100 HG23 ILE 100 -20.731 -9.738 -24.368 792 3HG2 ILE 100 HG22 ILE 100 -19.627 -11.074 -24.699 793 1HD1 ILE 100 HD11 ILE 100 -19.226 -7.406 -24.880 794 2HD1 ILE 100 HD13 ILE 100 -20.841 -7.925 -24.394 795 3HD1 ILE 100 HD12 ILE 100 -20.162 -6.426 -23.750 796 H GLN 101 HN GLN 101 -16.354 -11.459 -23.510 797 HA GLN 101 HA GLN 101 -17.534 -14.026 -23.931 798 1HB GLN 101 HB2 GLN 101 -14.728 -12.971 -24.273 799 2HB GLN 101 HB1 GLN 101 -15.147 -14.650 -24.610 800 1HG GLN 101 HG2 GLN 101 -16.893 -13.851 -26.200 801 2HG GLN 101 HG1 GLN 101 -16.347 -12.201 -25.927 802 1HE2 GLN 101 HE22 GLN 101 -14.086 -12.534 -28.559 803 2HE2 GLN 101 HE21 GLN 101 -15.345 -11.627 -27.769 804 H ALA 102 HN ALA 102 -15.101 -12.833 -21.619 805 HA ALA 102 HA ALA 102 -14.530 -15.332 -20.384 806 1HB ALA 102 HB2 ALA 102 -14.270 -12.516 -19.291 807 2HB ALA 102 HB1 ALA 102 -13.560 -13.960 -18.563 808 3HB ALA 102 HB3 ALA 102 -13.026 -13.422 -20.156 809 H ILE 103 HN ILE 103 -16.945 -12.830 -19.768 810 HA ILE 103 HA ILE 103 -17.921 -13.882 -17.299 811 HB ILE 103 HB ILE 103 -19.006 -11.946 -19.333 812 1HG1 ILE 103 HG12 ILE 103 -18.492 -11.340 -16.449 813 2HG1 ILE 103 HG11 ILE 103 -17.116 -11.520 -17.529 814 1HG2 ILE 103 HG23 ILE 103 -20.413 -13.016 -16.895 815 2HG2 ILE 103 HG22 ILE 103 -20.758 -11.415 -17.544 816 3HG2 ILE 103 HG21 ILE 103 -21.031 -12.840 -18.543 817 1HD1 ILE 103 HD11 ILE 103 -18.677 -9.865 -19.011 818 2HD1 ILE 103 HD13 ILE 103 -19.141 -9.372 -17.386 819 3HD1 ILE 103 HD12 ILE 103 -17.451 -9.298 -17.879 820 H SER 104 HN SER 104 -18.947 -14.226 -20.684 821 HA SER 104 HA SER 104 -21.241 -15.818 -20.280 822 1HB SER 104 HB2 SER 104 -19.350 -15.884 -22.645 823 2HB SER 104 HB1 SER 104 -21.032 -16.413 -22.624 824 HG SER 104 HG SER 104 -19.973 -13.805 -22.600 825 H SER 105 HN SER 105 -17.823 -16.644 -20.513 826 HA SER 105 HA SER 105 -18.402 -19.524 -20.169 827 1HB SER 105 HB2 SER 105 -15.735 -18.230 -20.759 828 2HB SER 105 HB1 SER 105 -16.174 -19.928 -20.930 829 HG SER 105 HG SER 105 -17.092 -19.524 -22.808 830 H ALA 106 HN ALA 106 -18.737 -17.617 -17.966 831 HA ALA 106 HA ALA 106 -16.464 -17.847 -16.200 832 1HB ALA 106 HB3 ALA 106 -17.977 -15.925 -16.062 833 2HB ALA 106 HB2 ALA 106 -19.308 -16.992 -15.619 834 3HB ALA 106 HB1 ALA 106 -17.932 -16.799 -14.532 No H/Q in entry = 834 Start of MODEL 50 1 1H MET 1 HT2 MET 1 -8.435 -12.982 -17.182 2 2H MET 1 HT1 MET 1 -9.446 -12.851 -18.549 3 3H MET 1 HT3 MET 1 -8.694 -11.461 -17.909 4 HA MET 1 HA MET 1 -10.978 -11.461 -17.274 5 1HB MET 1 HB2 MET 1 -11.908 -13.251 -15.869 6 2HB MET 1 HB1 MET 1 -11.432 -13.848 -17.452 7 1HG MET 1 HG2 MET 1 -9.398 -14.040 -15.286 8 2HG MET 1 HG1 MET 1 -10.792 -15.100 -15.161 9 1HE MET 1 HE2 MET 1 -11.653 -16.530 -16.929 10 2HE MET 1 HE1 MET 1 -10.663 -17.393 -18.104 11 3HE MET 1 HE3 MET 1 -10.458 -17.702 -16.375 12 H GLU 2 HN GLU 2 -8.317 -10.606 -16.376 13 HA GLU 2 HA GLU 2 -8.979 -9.917 -13.599 14 1HB GLU 2 HB2 GLU 2 -7.551 -11.844 -13.418 15 2HB GLU 2 HB1 GLU 2 -6.397 -11.174 -14.551 16 1HG GLU 2 HG2 GLU 2 -6.032 -9.318 -12.863 17 2HG GLU 2 HG1 GLU 2 -7.000 -10.272 -11.740 18 H GLY 3 HN GLY 3 -9.209 -7.755 -13.900 19 1HA GLY 3 HA2 GLY 3 -6.985 -6.073 -14.399 20 2HA GLY 3 HA1 GLY 3 -7.964 -6.181 -15.862 21 H PHE 4 HN PHE 4 -7.915 -3.790 -15.140 22 HA PHE 4 HA PHE 4 -9.807 -3.026 -13.070 23 1HB PHE 4 HB2 PHE 4 -8.037 -1.585 -14.994 24 2HB PHE 4 HB1 PHE 4 -9.374 -0.716 -14.266 25 HD1 PHE 4 HD1 PHE 4 -9.578 -1.143 -11.615 26 HD2 PHE 4 HD2 PHE 4 -5.999 -1.426 -13.929 27 HE1 PHE 4 HE1 PHE 4 -8.241 -0.744 -9.593 28 HE2 PHE 4 HE2 PHE 4 -4.660 -1.019 -11.900 29 HZ PHE 4 HZ PHE 4 -5.779 -0.679 -9.733 30 H LEU 5 HN LEU 5 -11.741 -1.924 -13.392 31 HA LEU 5 HA LEU 5 -12.923 -1.661 -16.042 32 1HB LEU 5 HB2 LEU 5 -13.540 -3.895 -14.224 33 2HB LEU 5 HB1 LEU 5 -14.962 -2.977 -14.694 34 HG LEU 5 HG LEU 5 -12.984 -4.270 -16.573 35 1HD1 LEU 5 HD11 LEU 5 -14.453 -5.869 -15.425 36 2HD1 LEU 5 HD13 LEU 5 -15.863 -4.942 -15.940 37 3HD1 LEU 5 HD12 LEU 5 -14.854 -5.748 -17.138 38 1HD2 LEU 5 HD23 LEU 5 -15.222 -2.365 -16.997 39 2HD2 LEU 5 HD22 LEU 5 -13.707 -2.542 -17.882 40 3HD2 LEU 5 HD21 LEU 5 -15.031 -3.678 -18.158 41 H ASN 6 HN ASN 6 -14.688 -0.238 -16.021 42 HA ASN 6 HA ASN 6 -14.990 1.407 -13.613 43 1HB ASN 6 HB2 ASN 6 -15.202 1.862 -16.456 44 2HB ASN 6 HB1 ASN 6 -16.721 2.284 -15.689 45 1HD2 ASN 6 HD22 ASN 6 -13.391 4.533 -15.043 46 2HD2 ASN 6 HD21 ASN 6 -13.328 3.036 -15.924 47 H ARG 7 HN ARG 7 -16.468 0.780 -12.157 48 HA ARG 7 HA ARG 7 -18.755 -0.870 -13.056 49 1HB ARG 7 HB2 ARG 7 -17.149 -1.905 -11.485 50 2HB ARG 7 HB1 ARG 7 -17.515 -0.649 -10.307 51 1HG ARG 7 HG2 ARG 7 -19.833 -1.390 -10.191 52 2HG ARG 7 HG1 ARG 7 -19.547 -2.575 -11.462 53 1HD ARG 7 HD2 ARG 7 -18.052 -3.832 -10.043 54 2HD ARG 7 HD1 ARG 7 -18.087 -2.572 -8.807 55 HE ARG 7 HE ARG 7 -20.541 -4.084 -9.541 56 1HH1 ARG 7 HH21 ARG 7 -20.950 -2.092 -7.388 57 2HH1 ARG 7 HH22 ARG 7 -20.660 -2.994 -5.925 58 1HH2 ARG 7 HH11 ARG 7 -19.043 -5.639 -7.553 59 2HH2 ARG 7 HH12 ARG 7 -19.586 -5.011 -6.027 60 H LYS 8 HN LYS 8 -20.754 -0.286 -12.719 61 HA LYS 8 HA LYS 8 -21.433 1.968 -10.935 62 1HB LYS 8 HB2 LYS 8 -21.304 2.640 -13.386 63 2HB LYS 8 HB1 LYS 8 -22.655 1.564 -13.671 64 1HG LYS 8 HG2 LYS 8 -23.598 3.036 -11.570 65 2HG LYS 8 HG1 LYS 8 -22.592 4.219 -12.398 66 1HD LYS 8 HD2 LYS 8 -24.275 4.572 -13.821 67 2HD LYS 8 HD1 LYS 8 -24.021 2.949 -14.446 68 1HE LYS 8 HE2 LYS 8 -25.651 2.035 -12.941 69 2HE LYS 8 HE1 LYS 8 -25.778 3.552 -12.060 70 1HZ LYS 8 HZ3 LYS 8 -26.326 3.925 -14.822 71 2HZ LYS 8 HZ2 LYS 8 -27.341 2.724 -14.166 72 3HZ LYS 8 HZ1 LYS 8 -27.292 4.285 -13.469 73 H HIS 9 HN HIS 9 -22.670 1.041 -9.427 74 HA HIS 9 HA HIS 9 -24.281 -1.309 -10.039 75 1HB HIS 9 HB2 HIS 9 -24.833 -1.121 -7.521 76 2HB HIS 9 HB1 HIS 9 -23.226 -1.624 -8.005 77 HD1 HIS 9 HD1 HIS 9 -22.890 -0.812 -5.408 78 HD2 HIS 9 HD2 HIS 9 -23.338 2.180 -8.237 79 HE1 HIS 9 HE1 HIS 9 -21.925 1.238 -4.345 80 H GLU 10 HN GLU 10 -25.959 -0.629 -11.291 81 HA GLU 10 HA GLU 10 -27.606 1.648 -10.651 82 1HB GLU 10 HB2 GLU 10 -27.241 0.553 -12.954 83 2HB GLU 10 HB1 GLU 10 -28.431 -0.634 -12.440 84 1HG GLU 10 HG2 GLU 10 -30.134 1.014 -12.228 85 2HG GLU 10 HG1 GLU 10 -28.975 2.337 -12.335 86 H TRP 11 HN TRP 11 -27.457 -1.528 -9.449 87 HA TRP 11 HA TRP 11 -29.588 -1.030 -7.664 88 1HB TRP 11 HB2 TRP 11 -30.936 -1.593 -9.680 89 2HB TRP 11 HB1 TRP 11 -30.182 -3.180 -9.690 90 HD1 TRP 11 HD1 TRP 11 -32.032 -1.027 -6.972 91 HE1 TRP 11 HE1 TRP 11 -33.567 -2.625 -5.685 92 HE3 TRP 11 HE3 TRP 11 -30.911 -5.429 -9.315 93 HZ2 TRP 11 HZ2 TRP 11 -34.220 -5.352 -5.635 94 HZ3 TRP 11 HZ3 TRP 11 -32.027 -7.492 -8.598 95 HH2 TRP 11 HH2 TRP 11 -33.663 -7.463 -6.769 96 H GLU 12 HN GLU 12 -29.002 -1.906 -5.891 97 HA GLU 12 HA GLU 12 -28.043 -4.672 -5.786 98 1HB GLU 12 HB2 GLU 12 -26.206 -3.944 -4.178 99 2HB GLU 12 HB1 GLU 12 -25.947 -3.579 -5.881 100 1HG GLU 12 HG2 GLU 12 -26.627 -1.263 -5.532 101 2HG GLU 12 HG1 GLU 12 -27.021 -1.610 -3.847 102 H ALA 13 HN ALA 13 -30.143 -2.417 -4.757 103 HA ALA 13 HA ALA 13 -31.190 -3.903 -2.609 104 1HB ALA 13 HB2 ALA 13 -29.132 -2.769 -1.513 105 2HB ALA 13 HB1 ALA 13 -30.037 -1.266 -1.678 106 3HB ALA 13 HB3 ALA 13 -30.688 -2.583 -0.706 107 H HIS 14 HN HIS 14 -33.154 -2.898 -1.769 108 HA HIS 14 HA HIS 14 -35.145 -1.775 -1.998 109 1HB HIS 14 HB2 HIS 14 -33.553 0.501 -3.220 110 2HB HIS 14 HB1 HIS 14 -35.109 0.593 -2.412 111 HD1 HIS 14 HD1 HIS 14 -35.105 0.357 0.186 112 HD2 HIS 14 HD2 HIS 14 -31.346 0.685 -1.524 113 HE1 HIS 14 HE1 HIS 14 -33.580 0.973 2.077 114 H ASN 15 HN ASN 15 -35.242 0.331 -4.328 115 HA ASN 15 HA ASN 15 -35.520 -1.502 -6.623 116 1HB ASN 15 HB2 ASN 15 -37.772 -0.907 -5.410 117 2HB ASN 15 HB1 ASN 15 -37.560 0.680 -6.146 118 1HD2 ASN 15 HD22 ASN 15 -39.542 -0.979 -8.648 119 2HD2 ASN 15 HD21 ASN 15 -39.670 -0.112 -7.147 120 H LYS 16 HN LYS 16 -33.896 -0.779 -7.793 121 HA LYS 16 HA LYS 16 -32.595 0.524 -9.125 122 1HB LYS 16 HB2 LYS 16 -34.833 2.481 -8.721 123 2HB LYS 16 HB1 LYS 16 -33.293 3.042 -9.353 124 1HG LYS 16 HG2 LYS 16 -34.544 0.620 -10.584 125 2HG LYS 16 HG1 LYS 16 -35.192 2.209 -10.981 126 1HD LYS 16 HD2 LYS 16 -32.798 2.900 -11.532 127 2HD LYS 16 HD1 LYS 16 -32.382 1.193 -11.425 128 1HE LYS 16 HE2 LYS 16 -34.716 1.580 -13.105 129 2HE LYS 16 HE1 LYS 16 -33.374 2.565 -13.677 130 1HZ LYS 16 HZ2 LYS 16 -33.084 -0.315 -13.047 131 2HZ LYS 16 HZ1 LYS 16 -33.542 0.247 -14.588 132 3HZ LYS 16 HZ3 LYS 16 -32.023 0.683 -13.941 133 H LYS 17 HN LYS 17 -30.691 0.952 -8.355 134 HA LYS 17 HA LYS 17 -30.399 2.641 -5.962 135 1HB LYS 17 HB2 LYS 17 -29.932 0.011 -5.933 136 2HB LYS 17 HB1 LYS 17 -28.359 0.553 -6.505 137 1HG LYS 17 HG2 LYS 17 -29.498 1.987 -4.160 138 2HG LYS 17 HG1 LYS 17 -29.002 0.319 -3.898 139 1HD LYS 17 HD2 LYS 17 -26.786 0.997 -5.022 140 2HD LYS 17 HD1 LYS 17 -27.317 2.658 -4.783 141 1HE LYS 17 HE2 LYS 17 -27.347 2.416 -2.414 142 2HE LYS 17 HE1 LYS 17 -27.172 0.666 -2.518 143 1HZ LYS 17 HZ1 LYS 17 -25.093 2.429 -3.627 144 2HZ LYS 17 HZ3 LYS 17 -25.129 2.091 -1.957 145 3HZ LYS 17 HZ2 LYS 17 -24.965 0.816 -3.083 146 H ALA 18 HN ALA 18 -28.611 3.987 -5.823 147 HA ALA 18 HA ALA 18 -26.973 5.381 -6.570 148 1HB ALA 18 HB1 ALA 18 -26.049 2.995 -7.099 149 2HB ALA 18 HB3 ALA 18 -26.302 3.470 -8.780 150 3HB ALA 18 HB2 ALA 18 -25.229 4.419 -7.753 151 H SER 19 HN SER 19 -29.296 6.290 -7.340 152 HA SER 19 HA SER 19 -29.302 6.807 -10.240 153 1HB SER 19 HB2 SER 19 -31.323 7.877 -8.272 154 2HB SER 19 HB1 SER 19 -31.524 7.517 -9.986 155 HG SER 19 HG SER 19 -31.327 5.703 -7.804 156 H SER 20 HN SER 20 -27.108 7.833 -9.189 157 HA SER 20 HA SER 20 -27.558 10.730 -9.234 158 1HB SER 20 HB2 SER 20 -25.724 10.830 -7.370 159 2HB SER 20 HB1 SER 20 -27.398 10.520 -6.917 160 HG SER 20 HG SER 20 -26.946 8.414 -6.525 161 H ARG 21 HN ARG 21 -24.708 8.786 -8.463 162 HA ARG 21 HA ARG 21 -23.473 9.402 -11.084 163 1HB ARG 21 HB2 ARG 21 -22.249 9.875 -8.347 164 2HB ARG 21 HB1 ARG 21 -21.327 9.887 -9.838 165 1HG ARG 21 HG2 ARG 21 -23.636 11.742 -9.206 166 2HG ARG 21 HG1 ARG 21 -21.938 12.157 -9.033 167 1HD ARG 21 HD2 ARG 21 -23.458 11.601 -11.582 168 2HD ARG 21 HD1 ARG 21 -22.642 13.086 -11.106 169 HE ARG 21 HE ARG 21 -21.471 11.017 -12.569 170 1HH1 ARG 21 HH11 ARG 21 -20.471 13.842 -11.210 171 2HH1 ARG 21 HH12 ARG 21 -18.882 13.312 -10.714 172 1HH2 ARG 21 HH21 ARG 21 -19.574 9.901 -11.234 173 2HH2 ARG 21 HH22 ARG 21 -18.363 11.063 -10.734 174 H SER 22 HN SER 22 -21.725 8.121 -8.396 175 HA SER 22 HA SER 22 -20.713 6.172 -7.941 176 1HB SER 22 HB2 SER 22 -23.183 4.887 -8.996 177 2HB SER 22 HB1 SER 22 -22.120 4.336 -7.717 178 HG SER 22 HG SER 22 -22.993 5.697 -6.321 179 H TRP 23 HN TRP 23 -19.317 6.700 -9.824 180 HA TRP 23 HA TRP 23 -19.154 4.346 -11.616 181 1HB TRP 23 HB2 TRP 23 -19.034 7.238 -12.402 182 2HB TRP 23 HB1 TRP 23 -17.910 6.143 -13.183 183 HD1 TRP 23 HD1 TRP 23 -21.427 7.364 -13.483 184 HE1 TRP 23 HE1 TRP 23 -22.693 5.964 -15.202 185 HE3 TRP 23 HE3 TRP 23 -18.111 3.516 -14.082 186 HZ2 TRP 23 HZ2 TRP 23 -22.360 3.565 -16.644 187 HZ3 TRP 23 HZ3 TRP 23 -18.639 1.706 -15.657 188 HH2 TRP 23 HH2 TRP 23 -20.741 1.731 -16.939 189 H HIS 24 HN HIS 24 -17.625 3.324 -10.404 190 HA HIS 24 HA HIS 24 -15.110 4.791 -9.787 191 1HB HIS 24 HB2 HIS 24 -16.459 4.102 -7.814 192 2HB HIS 24 HB1 HIS 24 -16.338 2.427 -8.339 193 HD1 HIS 24 HD1 HIS 24 -14.335 5.163 -6.759 194 HD2 HIS 24 HD2 HIS 24 -13.858 1.188 -7.828 195 HE1 HIS 24 HE1 HIS 24 -12.207 4.438 -5.652 196 H ASN 25 HN ASN 25 -13.176 3.867 -10.256 197 HA ASN 25 HA ASN 25 -13.120 1.712 -12.229 198 1HB ASN 25 HB2 ASN 25 -11.682 3.939 -12.136 199 2HB ASN 25 HB1 ASN 25 -10.648 2.988 -11.077 200 1HD2 ASN 25 HD22 ASN 25 -10.522 2.446 -15.060 201 2HD2 ASN 25 HD21 ASN 25 -11.447 3.696 -14.285 202 H VAL 26 HN VAL 26 -13.578 -0.175 -11.187 203 HA VAL 26 HA VAL 26 -12.023 -0.934 -8.791 204 HB VAL 26 HB VAL 26 -14.560 -0.874 -8.787 205 1HG1 VAL 26 HG13 VAL 26 -14.838 -1.930 -11.038 206 2HG1 VAL 26 HG12 VAL 26 -14.326 -3.458 -10.322 207 3HG1 VAL 26 HG11 VAL 26 -15.800 -2.671 -9.758 208 1HG2 VAL 26 HG21 VAL 26 -13.049 -2.150 -7.190 209 2HG2 VAL 26 HG23 VAL 26 -14.737 -2.653 -7.280 210 3HG2 VAL 26 HG22 VAL 26 -13.493 -3.592 -8.105 211 H TYR 27 HN TYR 27 -11.172 -3.070 -8.649 212 HA TYR 27 HA TYR 27 -10.236 -4.152 -11.229 213 1HB TYR 27 HB2 TYR 27 -8.759 -3.542 -9.151 214 2HB TYR 27 HB1 TYR 27 -9.311 -5.084 -8.524 215 HD1 TYR 27 HD2 TYR 27 -8.977 -7.154 -10.081 216 HD2 TYR 27 HD1 TYR 27 -6.899 -3.456 -10.535 217 HE1 TYR 27 HE2 TYR 27 -7.209 -8.305 -11.361 218 HE2 TYR 27 HE1 TYR 27 -5.135 -4.595 -11.802 219 HH TYR 27 HH TYR 27 -5.119 -6.911 -13.295 220 H CYS 28 HN CYS 28 -11.216 -5.905 -12.042 221 HA CYS 28 HA CYS 28 -12.842 -7.618 -10.247 222 1HB CYS 28 HB2 CYS 28 -13.159 -7.324 -13.233 223 2HB CYS 28 HB1 CYS 28 -14.273 -8.071 -12.092 224 HG CYS 28 HG CYS 28 -13.775 -5.044 -11.744 225 H VAL 29 HN VAL 29 -12.406 -9.736 -10.116 226 HA VAL 29 HA VAL 29 -10.591 -11.010 -12.080 227 HB VAL 29 HB VAL 29 -10.446 -11.371 -9.074 228 1HG1 VAL 29 HG11 VAL 29 -9.091 -12.682 -11.398 229 2HG1 VAL 29 HG13 VAL 29 -8.185 -12.456 -9.901 230 3HG1 VAL 29 HG12 VAL 29 -9.682 -13.389 -9.892 231 1HG2 VAL 29 HG22 VAL 29 -8.963 -9.598 -10.938 232 2HG2 VAL 29 HG21 VAL 29 -9.399 -9.352 -9.249 233 3HG2 VAL 29 HG23 VAL 29 -8.042 -10.397 -9.666 234 H ILE 30 HN ILE 30 -11.707 -12.631 -12.991 235 HA ILE 30 HA ILE 30 -13.971 -13.859 -11.585 236 HB ILE 30 HB ILE 30 -13.039 -14.579 -14.354 237 1HG1 ILE 30 HG12 ILE 30 -14.849 -12.274 -13.588 238 2HG1 ILE 30 HG11 ILE 30 -13.251 -12.139 -14.315 239 1HG2 ILE 30 HG22 ILE 30 -15.668 -14.710 -12.878 240 2HG2 ILE 30 HG21 ILE 30 -15.526 -14.967 -14.617 241 3HG2 ILE 30 HG23 ILE 30 -14.702 -16.051 -13.494 242 1HD1 ILE 30 HD13 ILE 30 -14.510 -13.808 -16.084 243 2HD1 ILE 30 HD12 ILE 30 -15.835 -12.766 -15.564 244 3HD1 ILE 30 HD11 ILE 30 -14.384 -12.058 -16.270 245 H ASN 31 HN ASN 31 -13.848 -15.719 -10.564 246 HA ASN 31 HA ASN 31 -11.549 -17.524 -11.058 247 1HB ASN 31 HB2 ASN 31 -11.661 -16.362 -8.782 248 2HB ASN 31 HB1 ASN 31 -13.109 -17.316 -8.462 249 1HD2 ASN 31 HD22 ASN 31 -11.225 -20.051 -7.401 250 2HD2 ASN 31 HD21 ASN 31 -12.688 -19.117 -7.327 251 H ASN 32 HN ASN 32 -13.166 -18.116 -12.805 252 HA ASN 32 HA ASN 32 -14.454 -19.708 -13.767 253 1HB ASN 32 HB2 ASN 32 -13.022 -21.161 -12.233 254 2HB ASN 32 HB1 ASN 32 -14.419 -21.241 -11.163 255 1HD2 ASN 32 HD22 ASN 32 -15.198 -24.147 -13.000 256 2HD2 ASN 32 HD21 ASN 32 -14.562 -23.498 -11.522 257 H GLN 33 HN GLN 33 -15.704 -19.920 -10.434 258 HA GLN 33 HA GLN 33 -18.432 -19.475 -11.488 259 1HB GLN 33 HB2 GLN 33 -17.555 -20.707 -8.868 260 2HB GLN 33 HB1 GLN 33 -19.207 -20.598 -9.469 261 1HG GLN 33 HG2 GLN 33 -18.553 -22.008 -11.418 262 2HG GLN 33 HG1 GLN 33 -16.942 -22.176 -10.720 263 1HE2 GLN 33 HE22 GLN 33 -20.107 -24.225 -9.151 264 2HE2 GLN 33 HE21 GLN 33 -20.340 -22.946 -10.303 265 H GLU 34 HN GLU 34 -16.037 -18.112 -9.289 266 HA GLU 34 HA GLU 34 -18.027 -16.125 -8.375 267 1HB GLU 34 HB2 GLU 34 -15.917 -17.683 -7.001 268 2HB GLU 34 HB1 GLU 34 -16.082 -16.008 -6.525 269 1HG GLU 34 HG2 GLU 34 -18.168 -16.311 -5.601 270 2HG GLU 34 HG1 GLU 34 -18.579 -17.619 -6.713 271 H MET 35 HN MET 35 -17.537 -14.012 -8.656 272 HA MET 35 HA MET 35 -14.889 -13.323 -9.779 273 1HB MET 35 HB2 MET 35 -15.896 -11.501 -10.930 274 2HB MET 35 HB1 MET 35 -16.904 -12.906 -11.247 275 1HG MET 35 HG2 MET 35 -18.440 -12.145 -9.421 276 2HG MET 35 HG1 MET 35 -17.476 -10.684 -9.280 277 1HE MET 35 HE3 MET 35 -16.929 -9.174 -11.208 278 2HE MET 35 HE2 MET 35 -16.993 -10.057 -12.733 279 3HE MET 35 HE1 MET 35 -18.105 -8.720 -12.447 280 H GLY 36 HN GLY 36 -13.663 -11.894 -8.678 281 1HA GLY 36 HA2 GLY 36 -14.729 -10.878 -6.110 282 2HA GLY 36 HA1 GLY 36 -13.044 -11.245 -6.443 283 H PHE 37 HN PHE 37 -14.962 -8.770 -5.831 284 HA PHE 37 HA PHE 37 -13.855 -6.858 -7.789 285 1HB PHE 37 HB2 PHE 37 -15.963 -6.552 -5.630 286 2HB PHE 37 HB1 PHE 37 -15.413 -5.251 -6.678 287 HD1 PHE 37 HD1 PHE 37 -15.451 -5.970 -9.306 288 HD2 PHE 37 HD2 PHE 37 -17.959 -7.549 -6.220 289 HE1 PHE 37 HE1 PHE 37 -17.130 -6.621 -10.997 290 HE2 PHE 37 HE2 PHE 37 -19.620 -8.206 -7.911 291 HZ PHE 37 HZ PHE 37 -19.200 -7.738 -10.308 292 H TYR 38 HN TYR 38 -11.854 -6.206 -7.236 293 HA TYR 38 HA TYR 38 -11.259 -5.618 -4.382 294 1HB TYR 38 HB2 TYR 38 -9.321 -6.393 -6.571 295 2HB TYR 38 HB1 TYR 38 -8.950 -6.145 -4.872 296 HD1 TYR 38 HD1 TYR 38 -9.838 -7.708 -3.159 297 HD2 TYR 38 HD2 TYR 38 -10.189 -8.473 -7.341 298 HE1 TYR 38 HE1 TYR 38 -10.307 -10.075 -2.682 299 HE2 TYR 38 HE2 TYR 38 -10.651 -10.845 -6.862 300 HH TYR 38 HH TYR 38 -9.915 -12.414 -4.511 301 H LYS 39 HN LYS 39 -9.338 -4.058 -4.211 302 HA LYS 39 HA LYS 39 -10.125 -1.532 -5.304 303 1HB LYS 39 HB2 LYS 39 -9.002 -2.106 -3.024 304 2HB LYS 39 HB1 LYS 39 -7.495 -1.999 -3.925 305 1HG LYS 39 HG2 LYS 39 -8.674 0.293 -4.729 306 2HG LYS 39 HG1 LYS 39 -9.403 0.134 -3.137 307 1HD LYS 39 HD2 LYS 39 -7.531 1.188 -2.418 308 2HD LYS 39 HD1 LYS 39 -6.788 -0.403 -2.559 309 1HE LYS 39 HE2 LYS 39 -6.173 0.187 -4.928 310 2HE LYS 39 HE1 LYS 39 -6.746 1.819 -4.604 311 1HZ LYS 39 HZ2 LYS 39 -5.109 1.727 -2.634 312 2HZ LYS 39 HZ1 LYS 39 -4.394 0.433 -3.488 313 3HZ LYS 39 HZ3 LYS 39 -4.495 1.967 -4.214 314 H ASP 40 HN ASP 40 -7.175 -3.497 -5.722 315 HA ASP 40 HA ASP 40 -6.815 -2.597 -8.454 316 1HB ASP 40 HB2 ASP 40 -4.645 -1.591 -8.142 317 2HB ASP 40 HB1 ASP 40 -5.772 -0.777 -7.066 318 H ALA 41 HN ALA 41 -4.167 -3.373 -8.785 319 HA ALA 41 HA ALA 41 -4.343 -6.191 -9.017 320 1HB ALA 41 HB2 ALA 41 -1.909 -4.390 -9.134 321 2HB ALA 41 HB1 ALA 41 -1.969 -6.069 -9.678 322 3HB ALA 41 HB3 ALA 41 -2.935 -4.842 -10.496 323 H LYS 42 HN LYS 42 -2.872 -4.105 -6.566 324 HA LYS 42 HA LYS 42 -1.485 -6.159 -5.134 325 1HB LYS 42 HB2 LYS 42 -2.511 -3.487 -4.143 326 2HB LYS 42 HB1 LYS 42 -1.334 -4.508 -3.324 327 1HG LYS 42 HG2 LYS 42 0.195 -4.248 -5.262 328 2HG LYS 42 HG1 LYS 42 -0.978 -3.171 -6.021 329 1HD LYS 42 HD2 LYS 42 -0.807 -1.841 -3.778 330 2HD LYS 42 HD1 LYS 42 0.702 -2.722 -3.558 331 1HE LYS 42 HE2 LYS 42 0.135 -1.222 -6.111 332 2HE LYS 42 HE1 LYS 42 0.763 -0.388 -4.695 333 1HZ LYS 42 HZ1 LYS 42 2.147 -2.828 -5.515 334 2HZ LYS 42 HZ3 LYS 42 2.329 -1.457 -6.511 335 3HZ LYS 42 HZ2 LYS 42 2.773 -1.387 -4.866 336 H SER 43 HN SER 43 -4.618 -4.570 -4.742 337 HA SER 43 HA SER 43 -5.510 -5.996 -2.455 338 1HB SER 43 HB2 SER 43 -6.389 -3.816 -3.542 339 2HB SER 43 HB1 SER 43 -7.320 -4.879 -4.586 340 HG SER 43 HG SER 43 -7.520 -4.468 -1.801 341 H ALA 44 HN ALA 44 -5.857 -6.568 -5.942 342 HA ALA 44 HA ALA 44 -7.619 -8.802 -5.768 343 1HB ALA 44 HB1 ALA 44 -5.749 -7.927 -7.982 344 2HB ALA 44 HB3 ALA 44 -6.989 -9.170 -8.144 345 3HB ALA 44 HB2 ALA 44 -7.453 -7.501 -7.814 346 H ALA 45 HN ALA 45 -4.094 -8.594 -6.302 347 HA ALA 45 HA ALA 45 -3.569 -11.350 -6.471 348 1HB ALA 45 HB3 ALA 45 -1.827 -9.053 -5.567 349 2HB ALA 45 HB2 ALA 45 -1.227 -10.691 -5.827 350 3HB ALA 45 HB1 ALA 45 -1.902 -9.775 -7.174 351 H SER 46 HN SER 46 -3.220 -9.200 -3.618 352 HA SER 46 HA SER 46 -2.560 -11.193 -1.771 353 1HB SER 46 HB2 SER 46 -3.726 -8.418 -1.529 354 2HB SER 46 HB1 SER 46 -3.125 -9.366 -0.204 355 HG SER 46 HG SER 46 -1.072 -9.286 -0.993 356 H GLY 47 HN GLY 47 -5.644 -9.601 -2.583 357 1HA GLY 47 HA2 GLY 47 -7.780 -10.591 -2.510 358 2HA GLY 47 HA1 GLY 47 -7.150 -11.852 -1.453 359 H ILE 48 HN ILE 48 -7.513 -8.306 -1.480 360 HA ILE 48 HA ILE 48 -8.088 -8.310 1.413 361 HB ILE 48 HB ILE 48 -7.604 -5.951 -0.407 362 1HG1 ILE 48 HG12 ILE 48 -5.605 -7.372 -0.437 363 2HG1 ILE 48 HG11 ILE 48 -5.303 -5.893 0.469 364 1HG2 ILE 48 HG21 ILE 48 -7.584 -6.232 2.594 365 2HG2 ILE 48 HG23 ILE 48 -7.042 -4.797 1.724 366 3HG2 ILE 48 HG22 ILE 48 -8.726 -5.306 1.616 367 1HD1 ILE 48 HD13 ILE 48 -6.252 -7.609 2.401 368 2HD1 ILE 48 HD12 ILE 48 -5.273 -8.659 1.374 369 3HD1 ILE 48 HD11 ILE 48 -4.557 -7.224 2.106 370 HA PRO 49 HA PRO 49 -12.404 -7.892 0.332 371 1HB PRO 49 HB2 PRO 49 -13.377 -7.294 2.805 372 2HB PRO 49 HB1 PRO 49 -12.903 -8.919 2.295 373 1HG PRO 49 HG2 PRO 49 -11.398 -6.943 3.949 374 2HG PRO 49 HG1 PRO 49 -11.542 -8.697 4.146 375 1HD PRO 49 HD2 PRO 49 -9.369 -7.483 3.037 376 2HD PRO 49 HD1 PRO 49 -9.885 -9.129 2.616 377 H TYR 50 HN TYR 50 -12.500 -6.111 -0.968 378 HA TYR 50 HA TYR 50 -12.238 -3.389 -0.023 379 1HB TYR 50 HB2 TYR 50 -11.585 -4.246 -2.319 380 2HB TYR 50 HB1 TYR 50 -13.296 -4.399 -2.678 381 HD1 TYR 50 HD1 TYR 50 -11.155 -1.755 -1.102 382 HD2 TYR 50 HD2 TYR 50 -14.045 -2.737 -4.090 383 HE1 TYR 50 HE1 TYR 50 -11.208 0.600 -1.826 384 HE2 TYR 50 HE2 TYR 50 -14.092 -0.384 -4.813 385 HH TYR 50 HH TYR 50 -12.256 2.118 -3.106 386 H HIS 51 HN HIS 51 -13.821 -2.427 1.078 387 HA HIS 51 HA HIS 51 -15.845 -1.703 1.810 388 1HB HIS 51 HB2 HIS 51 -16.732 -2.683 -0.912 389 2HB HIS 51 HB1 HIS 51 -17.868 -2.019 0.250 390 HD1 HIS 51 HD1 HIS 51 -18.251 0.400 -0.008 391 HD2 HIS 51 HD2 HIS 51 -14.502 -0.669 -1.388 392 HE1 HIS 51 HE1 HIS 51 -17.277 2.510 -0.934 393 H SER 52 HN SER 52 -17.412 -4.350 0.121 394 HA SER 52 HA SER 52 -17.309 -6.163 2.369 395 1HB SER 52 HB2 SER 52 -19.979 -4.915 1.662 396 2HB SER 52 HB1 SER 52 -19.704 -6.202 2.831 397 HG SER 52 HG SER 52 -18.088 -4.174 3.463 398 H GLU 53 HN GLU 53 -19.309 -5.347 -0.483 399 HA GLU 53 HA GLU 53 -19.757 -8.101 -1.200 400 1HB GLU 53 HB2 GLU 53 -20.312 -5.511 -2.658 401 2HB GLU 53 HB1 GLU 53 -20.832 -7.098 -3.220 402 1HG GLU 53 HG2 GLU 53 -22.306 -7.390 -1.397 403 2HG GLU 53 HG1 GLU 53 -21.552 -6.098 -0.469 404 H VAL 54 HN VAL 54 -17.455 -8.704 -1.271 405 HA VAL 54 HA VAL 54 -16.037 -7.862 -3.711 406 HB VAL 54 HB VAL 54 -15.137 -9.227 -1.186 407 1HG1 VAL 54 HG12 VAL 54 -13.732 -9.096 -3.841 408 2HG1 VAL 54 HG11 VAL 54 -12.823 -9.156 -2.332 409 3HG1 VAL 54 HG13 VAL 54 -13.910 -10.477 -2.761 410 1HG2 VAL 54 HG23 VAL 54 -15.082 -6.553 -2.213 411 2HG2 VAL 54 HG22 VAL 54 -14.611 -7.155 -0.624 412 3HG2 VAL 54 HG21 VAL 54 -13.441 -7.137 -1.945 413 HA PRO 55 HA PRO 55 -16.200 -12.593 -4.463 414 1HB PRO 55 HB2 PRO 55 -17.323 -14.260 -2.636 415 2HB PRO 55 HB1 PRO 55 -15.611 -13.815 -2.616 416 1HG PRO 55 HG2 PRO 55 -17.859 -12.766 -0.961 417 2HG PRO 55 HG1 PRO 55 -16.192 -13.133 -0.490 418 1HD PRO 55 HD2 PRO 55 -17.102 -10.603 -0.988 419 2HD PRO 55 HD1 PRO 55 -15.418 -11.118 -1.205 420 H VAL 56 HN VAL 56 -17.735 -12.541 -6.025 421 HA VAL 56 HA VAL 56 -20.591 -12.730 -5.255 422 HB VAL 56 HB VAL 56 -19.308 -11.000 -7.373 423 1HG1 VAL 56 HG12 VAL 56 -22.160 -11.908 -7.095 424 2HG1 VAL 56 HG11 VAL 56 -21.770 -10.347 -7.817 425 3HG1 VAL 56 HG13 VAL 56 -21.151 -11.835 -8.541 426 1HG2 VAL 56 HG21 VAL 56 -20.832 -10.511 -4.835 427 2HG2 VAL 56 HG23 VAL 56 -19.333 -9.777 -5.396 428 3HG2 VAL 56 HG22 VAL 56 -20.866 -9.310 -6.131 429 H SER 57 HN SER 57 -21.689 -14.317 -6.227 430 HA SER 57 HA SER 57 -20.332 -16.260 -7.831 431 1HB SER 57 HB2 SER 57 -23.284 -16.229 -7.420 432 2HB SER 57 HB1 SER 57 -22.175 -17.582 -7.457 433 HG SER 57 HG SER 57 -21.547 -17.191 -5.407 434 H LEU 58 HN LEU 58 -20.254 -16.427 -9.977 435 HA LEU 58 HA LEU 58 -21.752 -14.544 -11.663 436 1HB LEU 58 HB2 LEU 58 -19.192 -15.075 -11.756 437 2HB LEU 58 HB1 LEU 58 -19.691 -16.504 -12.652 438 HG LEU 58 HG LEU 58 -21.075 -14.774 -14.053 439 1HD1 LEU 58 HD11 LEU 58 -20.180 -12.974 -12.309 440 2HD1 LEU 58 HD13 LEU 58 -18.847 -12.901 -13.464 441 3HD1 LEU 58 HD12 LEU 58 -20.497 -12.569 -13.997 442 1HD2 LEU 58 HD23 LEU 58 -18.209 -15.533 -14.219 443 2HD2 LEU 58 HD22 LEU 58 -19.538 -15.863 -15.332 444 3HD2 LEU 58 HD21 LEU 58 -18.779 -14.273 -15.314 445 H LYS 59 HN LYS 59 -23.350 -16.533 -10.509 446 HA LYS 59 HA LYS 59 -23.755 -18.688 -12.423 447 1HB LYS 59 HB2 LYS 59 -24.050 -18.827 -9.860 448 2HB LYS 59 HB1 LYS 59 -25.584 -18.005 -10.121 449 1HG LYS 59 HG2 LYS 59 -26.254 -20.217 -10.217 450 2HG LYS 59 HG1 LYS 59 -25.942 -19.894 -11.919 451 1HD LYS 59 HD2 LYS 59 -23.697 -20.887 -11.702 452 2HD LYS 59 HD1 LYS 59 -23.999 -21.206 -9.997 453 1HE LYS 59 HE2 LYS 59 -24.333 -23.145 -11.651 454 2HE LYS 59 HE1 LYS 59 -25.604 -22.858 -10.467 455 1HZ LYS 59 HZ1 LYS 59 -25.736 -21.645 -13.163 456 2HZ LYS 59 HZ3 LYS 59 -26.269 -23.240 -12.888 457 3HZ LYS 59 HZ2 LYS 59 -27.000 -21.945 -12.054 458 H GLU 60 HN GLU 60 -24.823 -18.355 -14.243 459 HA GLU 60 HA GLU 60 -26.302 -17.610 -15.812 460 1HB GLU 60 HB2 GLU 60 -28.166 -16.784 -13.585 461 2HB GLU 60 HB1 GLU 60 -28.572 -17.327 -15.208 462 1HG GLU 60 HG2 GLU 60 -27.527 -18.997 -12.910 463 2HG GLU 60 HG1 GLU 60 -29.090 -19.118 -13.704 464 H ALA 61 HN ALA 61 -24.416 -15.909 -15.706 465 HA ALA 61 HA ALA 61 -25.348 -13.223 -15.013 466 1HB ALA 61 HB2 ALA 61 -22.702 -14.209 -16.103 467 2HB ALA 61 HB1 ALA 61 -23.055 -12.544 -15.634 468 3HB ALA 61 HB3 ALA 61 -23.068 -13.823 -14.420 469 H ILE 62 HN ILE 62 -26.540 -12.161 -16.439 470 HA ILE 62 HA ILE 62 -26.432 -12.724 -19.309 471 HB ILE 62 HB ILE 62 -28.135 -10.826 -17.677 472 1HG1 ILE 62 HG12 ILE 62 -29.624 -12.872 -18.986 473 2HG1 ILE 62 HG11 ILE 62 -28.293 -13.645 -18.137 474 1HG2 ILE 62 HG21 ILE 62 -27.894 -11.284 -20.608 475 2HG2 ILE 62 HG23 ILE 62 -29.511 -11.050 -19.943 476 3HG2 ILE 62 HG22 ILE 62 -28.281 -9.806 -19.724 477 1HD1 ILE 62 HD11 ILE 62 -28.970 -12.350 -16.084 478 2HD1 ILE 62 HD13 ILE 62 -30.399 -11.816 -16.973 479 3HD1 ILE 62 HD12 ILE 62 -30.159 -13.531 -16.635 480 H CYS 63 HN CYS 63 -25.467 -11.422 -20.782 481 HA CYS 63 HA CYS 63 -24.358 -8.836 -19.855 482 1HB CYS 63 HB2 CYS 63 -22.862 -11.116 -20.415 483 2HB CYS 63 HB1 CYS 63 -22.729 -10.158 -21.874 484 HG CYS 63 HG CYS 63 -22.089 -8.688 -19.250 485 H GLU 64 HN GLU 64 -25.139 -7.211 -21.006 486 HA GLU 64 HA GLU 64 -25.864 -7.630 -23.863 487 1HB GLU 64 HB2 GLU 64 -27.094 -5.572 -22.019 488 2HB GLU 64 HB1 GLU 64 -27.616 -6.027 -23.637 489 1HG GLU 64 HG2 GLU 64 -27.921 -8.406 -22.600 490 2HG GLU 64 HG1 GLU 64 -27.897 -7.554 -21.056 491 H VAL 65 HN VAL 65 -25.319 -5.946 -25.306 492 HA VAL 65 HA VAL 65 -22.993 -4.377 -24.458 493 HB VAL 65 HB VAL 65 -24.183 -4.485 -27.223 494 1HG1 VAL 65 HG13 VAL 65 -21.412 -3.954 -26.139 495 2HG1 VAL 65 HG12 VAL 65 -21.782 -4.162 -27.852 496 3HG1 VAL 65 HG11 VAL 65 -22.482 -2.813 -26.958 497 1HG2 VAL 65 HG21 VAL 65 -22.421 -6.511 -25.859 498 2HG2 VAL 65 HG23 VAL 65 -23.944 -6.781 -26.702 499 3HG2 VAL 65 HG22 VAL 65 -22.497 -6.352 -27.613 500 H ALA 66 HN ALA 66 -22.901 -2.218 -24.300 501 HA ALA 66 HA ALA 66 -25.227 -0.541 -25.041 502 1HB ALA 66 HB2 ALA 66 -25.264 -0.982 -22.594 503 2HB ALA 66 HB1 ALA 66 -23.637 -0.313 -22.471 504 3HB ALA 66 HB3 ALA 66 -24.979 0.714 -22.970 505 H LEU 67 HN LEU 67 -23.922 -0.157 -26.934 506 HA LEU 67 HA LEU 67 -21.325 1.073 -26.732 507 1HB LEU 67 HB2 LEU 67 -23.224 0.380 -28.935 508 2HB LEU 67 HB1 LEU 67 -21.941 1.536 -29.260 509 HG LEU 67 HG LEU 67 -21.519 -1.228 -28.130 510 1HD1 LEU 67 HD22 LEU 67 -21.601 -0.214 -30.908 511 2HD1 LEU 67 HD21 LEU 67 -20.297 -1.333 -30.509 512 3HD1 LEU 67 HD23 LEU 67 -21.976 -1.814 -30.268 513 1HD2 LEU 67 HD12 LEU 67 -19.766 1.086 -28.446 514 2HD2 LEU 67 HD11 LEU 67 -19.572 -0.360 -27.457 515 3HD2 LEU 67 HD13 LEU 67 -19.121 -0.391 -29.161 516 H ASP 68 HN ASP 68 -24.480 2.243 -26.353 517 HA ASP 68 HA ASP 68 -23.531 5.026 -26.480 518 1HB ASP 68 HB2 ASP 68 -24.694 4.488 -28.642 519 2HB ASP 68 HB1 ASP 68 -26.154 4.132 -27.724 520 H TYR 69 HN TYR 69 -23.484 4.409 -24.162 521 HA TYR 69 HA TYR 69 -26.129 4.375 -22.863 522 1HB TYR 69 HB2 TYR 69 -24.570 2.656 -22.103 523 2HB TYR 69 HB1 TYR 69 -23.364 3.883 -21.721 524 HD1 TYR 69 HD1 TYR 69 -26.977 3.217 -20.996 525 HD2 TYR 69 HD2 TYR 69 -23.179 4.440 -19.480 526 HE1 TYR 69 HE1 TYR 69 -27.956 3.490 -18.761 527 HE2 TYR 69 HE2 TYR 69 -24.166 4.716 -17.241 528 HH TYR 69 HH TYR 69 -27.624 4.074 -16.658 529 H LYS 70 HN LYS 70 -26.598 6.560 -23.373 530 HA LYS 70 HA LYS 70 -26.889 8.740 -22.805 531 1HB LYS 70 HB2 LYS 70 -24.927 8.319 -20.538 532 2HB LYS 70 HB1 LYS 70 -26.074 9.638 -20.723 533 1HG LYS 70 HG2 LYS 70 -27.633 7.318 -20.911 534 2HG LYS 70 HG1 LYS 70 -26.493 6.997 -19.607 535 1HD LYS 70 HD2 LYS 70 -27.146 9.071 -18.495 536 2HD LYS 70 HD1 LYS 70 -28.244 9.460 -19.815 537 1HE LYS 70 HE2 LYS 70 -28.468 7.029 -18.017 538 2HE LYS 70 HE1 LYS 70 -29.418 8.502 -17.839 539 1HZ LYS 70 HZ3 LYS 70 -29.747 7.766 -20.465 540 2HZ LYS 70 HZ2 LYS 70 -29.807 6.295 -19.600 541 3HZ LYS 70 HZ1 LYS 70 -30.875 7.556 -19.201 542 H LYS 71 HN LYS 71 -23.456 8.258 -21.963 543 HA LYS 71 HA LYS 71 -22.516 9.522 -24.369 544 1HB LYS 71 HB2 LYS 71 -21.309 11.360 -22.971 545 2HB LYS 71 HB1 LYS 71 -22.981 11.606 -23.451 546 1HG LYS 71 HG2 LYS 71 -23.801 11.175 -21.296 547 2HG LYS 71 HG1 LYS 71 -22.313 10.378 -20.789 548 1HD LYS 71 HD2 LYS 71 -21.123 12.482 -20.778 549 2HD LYS 71 HD1 LYS 71 -22.513 13.319 -21.465 550 1HE LYS 71 HE2 LYS 71 -23.821 12.782 -19.435 551 2HE LYS 71 HE1 LYS 71 -22.410 11.983 -18.746 552 1HZ LYS 71 HZ3 LYS 71 -21.456 14.422 -19.435 553 2HZ LYS 71 HZ2 LYS 71 -23.042 14.783 -18.924 554 3HZ LYS 71 HZ1 LYS 71 -21.961 13.968 -17.878 555 H LYS 72 HN LYS 72 -21.776 7.204 -23.987 556 HA LYS 72 HA LYS 72 -19.035 7.270 -22.941 557 1HB LYS 72 HB2 LYS 72 -21.256 5.644 -21.827 558 2HB LYS 72 HB1 LYS 72 -19.756 4.771 -22.134 559 1HG LYS 72 HG2 LYS 72 -18.629 5.837 -20.486 560 2HG LYS 72 HG1 LYS 72 -19.421 7.379 -20.792 561 1HD LYS 72 HD2 LYS 72 -21.315 6.789 -19.499 562 2HD LYS 72 HD1 LYS 72 -20.885 5.080 -19.502 563 1HE LYS 72 HE2 LYS 72 -20.460 6.255 -17.325 564 2HE LYS 72 HE1 LYS 72 -19.049 5.454 -18.008 565 1HZ LYS 72 HZ2 LYS 72 -19.482 8.273 -18.685 566 2HZ LYS 72 HZ1 LYS 72 -18.957 7.909 -17.101 567 3HZ LYS 72 HZ3 LYS 72 -18.022 7.420 -18.433 568 H LYS 73 HN LYS 73 -17.705 5.577 -23.826 569 HA LYS 73 HA LYS 73 -18.374 5.035 -26.582 570 1HB LYS 73 HB2 LYS 73 -15.946 4.630 -24.866 571 2HB LYS 73 HB1 LYS 73 -16.052 3.860 -26.444 572 1HG LYS 73 HG2 LYS 73 -16.475 6.074 -27.473 573 2HG LYS 73 HG1 LYS 73 -16.269 6.819 -25.888 574 1HD LYS 73 HD2 LYS 73 -13.969 6.117 -25.770 575 2HD LYS 73 HD1 LYS 73 -14.152 5.113 -27.206 576 1HE LYS 73 HE2 LYS 73 -12.978 7.212 -27.724 577 2HE LYS 73 HE1 LYS 73 -14.505 7.097 -28.590 578 1HZ LYS 73 HZ3 LYS 73 -14.711 8.389 -26.019 579 2HZ LYS 73 HZ2 LYS 73 -13.712 9.214 -27.123 580 3HZ LYS 73 HZ1 LYS 73 -15.335 8.859 -27.530 581 H HIS 74 HN HIS 74 -16.800 2.670 -24.458 582 HA HIS 74 HA HIS 74 -18.686 0.609 -25.470 583 1HB HIS 74 HB2 HIS 74 -15.762 0.513 -24.739 584 2HB HIS 74 HB1 HIS 74 -16.729 -0.950 -24.845 585 HD1 HIS 74 HD1 HIS 74 -16.140 2.053 -27.097 586 HD2 HIS 74 HD2 HIS 74 -16.489 -2.058 -27.339 587 HE1 HIS 74 HE1 HIS 74 -15.801 1.526 -29.514 588 H VAL 75 HN VAL 75 -20.230 0.488 -23.932 589 HA VAL 75 HA VAL 75 -19.414 -0.309 -21.197 590 HB VAL 75 HB VAL 75 -21.817 1.326 -22.063 591 1HG1 VAL 75 HG13 VAL 75 -21.180 0.017 -19.431 592 2HG1 VAL 75 HG12 VAL 75 -22.209 1.449 -19.524 593 3HG1 VAL 75 HG11 VAL 75 -22.681 -0.035 -20.355 594 1HG2 VAL 75 HG21 VAL 75 -19.495 2.410 -21.764 595 2HG2 VAL 75 HG23 VAL 75 -20.883 3.148 -20.961 596 3HG2 VAL 75 HG22 VAL 75 -19.764 2.141 -20.042 597 H PHE 76 HN PHE 76 -20.815 -1.931 -20.231 598 HA PHE 76 HA PHE 76 -22.756 -3.216 -21.996 599 1HB PHE 76 HB2 PHE 76 -21.826 -5.448 -21.705 600 2HB PHE 76 HB1 PHE 76 -20.702 -4.398 -22.543 601 HD1 PHE 76 HD1 PHE 76 -18.631 -3.648 -21.448 602 HD2 PHE 76 HD2 PHE 76 -21.315 -6.377 -19.559 603 HE1 PHE 76 HE1 PHE 76 -16.848 -4.310 -19.879 604 HE2 PHE 76 HE2 PHE 76 -19.539 -7.037 -17.978 605 HZ PHE 76 HZ PHE 76 -17.307 -6.002 -18.134 606 H LYS 77 HN LYS 77 -24.378 -4.204 -20.954 607 HA LYS 77 HA LYS 77 -24.673 -3.612 -18.112 608 1HB LYS 77 HB2 LYS 77 -26.621 -4.850 -20.073 609 2HB LYS 77 HB1 LYS 77 -27.001 -4.327 -18.438 610 1HG LYS 77 HG2 LYS 77 -25.787 -2.114 -19.737 611 2HG LYS 77 HG1 LYS 77 -26.966 -2.781 -20.861 612 1HD LYS 77 HD2 LYS 77 -27.646 -2.225 -17.982 613 2HD LYS 77 HD1 LYS 77 -27.800 -0.994 -19.233 614 1HE LYS 77 HE2 LYS 77 -29.534 -2.104 -20.297 615 2HE LYS 77 HE1 LYS 77 -29.071 -3.675 -19.649 616 1HZ LYS 77 HZ3 LYS 77 -29.910 -1.621 -17.746 617 2HZ LYS 77 HZ2 LYS 77 -31.119 -2.337 -18.721 618 3HZ LYS 77 HZ1 LYS 77 -30.149 -3.311 -17.715 619 H LEU 78 HN LEU 78 -24.150 -5.046 -16.614 620 HA LEU 78 HA LEU 78 -24.088 -7.921 -17.310 621 1HB LEU 78 HB2 LEU 78 -21.909 -6.832 -16.701 622 2HB LEU 78 HB1 LEU 78 -22.560 -6.532 -15.100 623 HG LEU 78 HG LEU 78 -22.614 -8.782 -14.577 624 1HD1 LEU 78 HD12 LEU 78 -22.523 -9.276 -17.525 625 2HD1 LEU 78 HD11 LEU 78 -22.028 -10.535 -16.400 626 3HD1 LEU 78 HD13 LEU 78 -23.664 -9.889 -16.324 627 1HD2 LEU 78 HD23 LEU 78 -20.178 -8.218 -16.222 628 2HD2 LEU 78 HD22 LEU 78 -20.365 -8.100 -14.476 629 3HD2 LEU 78 HD21 LEU 78 -20.350 -9.680 -15.254 630 H ARG 79 HN ARG 79 -25.909 -8.798 -16.658 631 HA ARG 79 HA ARG 79 -27.188 -7.987 -14.125 632 1HB ARG 79 HB2 ARG 79 -28.185 -8.592 -16.701 633 2HB ARG 79 HB1 ARG 79 -28.654 -9.942 -15.681 634 1HG ARG 79 HG2 ARG 79 -29.098 -7.139 -14.720 635 2HG ARG 79 HG1 ARG 79 -30.204 -7.842 -15.893 636 1HD ARG 79 HD2 ARG 79 -30.218 -9.866 -14.182 637 2HD ARG 79 HD1 ARG 79 -29.731 -8.611 -13.040 638 HE ARG 79 HE ARG 79 -31.986 -7.773 -14.608 639 1HH1 ARG 79 HH11 ARG 79 -32.398 -10.674 -13.309 640 2HH1 ARG 79 HH12 ARG 79 -33.340 -10.217 -11.911 641 1HH2 ARG 79 HH21 ARG 79 -32.618 -6.789 -12.209 642 2HH2 ARG 79 HH22 ARG 79 -33.470 -8.005 -11.287 643 H LEU 80 HN LEU 80 -27.047 -9.304 -12.392 644 HA LEU 80 HA LEU 80 -25.571 -11.792 -12.546 645 1HB LEU 80 HB2 LEU 80 -26.923 -10.287 -10.301 646 2HB LEU 80 HB1 LEU 80 -26.151 -11.843 -10.052 647 HG LEU 80 HG LEU 80 -24.911 -9.201 -10.689 648 1HD1 LEU 80 HD12 LEU 80 -25.151 -10.740 -8.409 649 2HD1 LEU 80 HD11 LEU 80 -23.515 -11.096 -8.963 650 3HD1 LEU 80 HD13 LEU 80 -24.001 -9.430 -8.651 651 1HD2 LEU 80 HD22 LEU 80 -23.762 -11.890 -11.409 652 2HD2 LEU 80 HD21 LEU 80 -23.913 -10.452 -12.423 653 3HD2 LEU 80 HD23 LEU 80 -22.747 -10.485 -11.102 654 H SER 81 HN SER 81 -26.932 -13.274 -10.572 655 HA SER 81 HA SER 81 -28.650 -14.871 -12.057 656 1HB SER 81 HB2 SER 81 -27.537 -14.844 -9.458 657 2HB SER 81 HB1 SER 81 -29.264 -15.033 -9.249 658 HG SER 81 HG SER 81 -27.671 -16.598 -11.024 659 H ASP 82 HN ASP 82 -29.389 -12.239 -9.770 660 HA ASP 82 HA ASP 82 -31.714 -11.443 -11.147 661 1HB ASP 82 HB2 ASP 82 -32.661 -13.553 -10.219 662 2HB ASP 82 HB1 ASP 82 -32.333 -12.959 -8.596 663 H GLY 83 HN GLY 83 -30.864 -11.734 -7.699 664 1HA GLY 83 HA2 GLY 83 -31.692 -9.086 -7.054 665 2HA GLY 83 HA1 GLY 83 -30.832 -10.197 -6.009 666 H ASN 84 HN ASN 84 -29.721 -8.754 -9.113 667 HA ASN 84 HA ASN 84 -28.166 -6.709 -7.951 668 1HB ASN 84 HB2 ASN 84 -26.905 -9.335 -7.891 669 2HB ASN 84 HB1 ASN 84 -25.974 -8.216 -8.875 670 1HD2 ASN 84 HD22 ASN 84 -25.613 -5.903 -6.010 671 2HD2 ASN 84 HD21 ASN 84 -26.284 -5.822 -7.602 672 H GLU 85 HN GLU 85 -27.484 -5.310 -9.455 673 HA GLU 85 HA GLU 85 -27.243 -6.130 -12.281 674 1HB GLU 85 HB2 GLU 85 -29.012 -3.932 -11.190 675 2HB GLU 85 HB1 GLU 85 -28.553 -4.050 -12.885 676 1HG GLU 85 HG2 GLU 85 -29.516 -6.416 -12.821 677 2HG GLU 85 HG1 GLU 85 -30.212 -5.990 -11.263 678 H TYR 86 HN TYR 86 -25.452 -5.241 -13.186 679 HA TYR 86 HA TYR 86 -24.317 -2.741 -12.068 680 1HB TYR 86 HB2 TYR 86 -22.667 -5.169 -12.796 681 2HB TYR 86 HB1 TYR 86 -22.075 -3.655 -12.137 682 HD1 TYR 86 HD1 TYR 86 -23.366 -3.063 -9.774 683 HD2 TYR 86 HD2 TYR 86 -22.600 -6.942 -11.368 684 HE1 TYR 86 HE1 TYR 86 -23.418 -4.005 -7.499 685 HE2 TYR 86 HE2 TYR 86 -22.653 -7.879 -9.098 686 HH TYR 86 HH TYR 86 -23.545 -5.952 -6.300 687 H LEU 87 HN LEU 87 -23.239 -1.449 -13.543 688 HA LEU 87 HA LEU 87 -23.322 -2.258 -16.406 689 1HB LEU 87 HB2 LEU 87 -23.056 0.558 -15.317 690 2HB LEU 87 HB1 LEU 87 -23.278 0.085 -16.990 691 HG LEU 87 HG LEU 87 -25.268 0.054 -14.750 692 1HD1 LEU 87 HD11 LEU 87 -25.055 1.327 -17.467 693 2HD1 LEU 87 HD13 LEU 87 -26.605 1.189 -16.638 694 3HD1 LEU 87 HD12 LEU 87 -25.286 2.096 -15.897 695 1HD2 LEU 87 HD23 LEU 87 -25.327 -1.566 -17.277 696 2HD2 LEU 87 HD22 LEU 87 -25.746 -2.051 -15.634 697 3HD2 LEU 87 HD21 LEU 87 -26.814 -0.978 -16.538 698 H PHE 88 HN PHE 88 -21.357 -2.508 -17.375 699 HA PHE 88 HA PHE 88 -18.966 -1.601 -15.873 700 1HB PHE 88 HB2 PHE 88 -19.510 -4.152 -17.350 701 2HB PHE 88 HB1 PHE 88 -17.863 -3.597 -17.076 702 HD1 PHE 88 HD1 PHE 88 -17.081 -3.218 -14.724 703 HD2 PHE 88 HD2 PHE 88 -20.742 -5.207 -15.629 704 HE1 PHE 88 HE1 PHE 88 -17.116 -4.181 -12.462 705 HE2 PHE 88 HE2 PHE 88 -20.776 -6.171 -13.363 706 HZ PHE 88 HZ PHE 88 -18.971 -5.653 -11.776 707 H GLN 89 HN GLN 89 -17.593 -0.325 -16.874 708 HA GLN 89 HA GLN 89 -17.852 0.105 -19.800 709 1HB GLN 89 HB2 GLN 89 -18.410 2.038 -18.281 710 2HB GLN 89 HB1 GLN 89 -16.747 2.021 -17.747 711 1HG GLN 89 HG2 GLN 89 -16.595 2.057 -20.555 712 2HG GLN 89 HG1 GLN 89 -17.889 3.181 -20.147 713 1HE2 GLN 89 HE22 GLN 89 -14.021 4.087 -19.282 714 2HE2 GLN 89 HE21 GLN 89 -14.485 2.557 -19.956 715 H ALA 90 HN ALA 90 -16.162 -0.427 -21.015 716 HA ALA 90 HA ALA 90 -13.606 -1.168 -19.739 717 1HB ALA 90 HB3 ALA 90 -14.703 -1.701 -22.512 718 2HB ALA 90 HB2 ALA 90 -13.139 -2.260 -21.914 719 3HB ALA 90 HB1 ALA 90 -14.625 -2.854 -21.178 720 H LYS 91 HN LYS 91 -11.610 -0.601 -21.044 721 HA LYS 91 HA LYS 91 -11.663 2.259 -21.641 722 1HB LYS 91 HB2 LYS 91 -9.297 2.195 -21.541 723 2HB LYS 91 HB1 LYS 91 -9.875 1.157 -20.246 724 1HG LYS 91 HG2 LYS 91 -9.563 -0.789 -21.887 725 2HG LYS 91 HG1 LYS 91 -8.654 0.345 -22.881 726 1HD LYS 91 HD2 LYS 91 -7.204 0.792 -20.866 727 2HD LYS 91 HD1 LYS 91 -8.025 -0.541 -20.058 728 1HE LYS 91 HE2 LYS 91 -6.486 -0.747 -22.659 729 2HE LYS 91 HE1 LYS 91 -5.885 -1.245 -21.080 730 1HZ LYS 91 HZ3 LYS 91 -8.113 -2.629 -21.130 731 2HZ LYS 91 HZ2 LYS 91 -7.861 -2.507 -22.818 732 3HZ LYS 91 HZ1 LYS 91 -6.667 -3.210 -21.818 733 H ASP 92 HN ASP 92 -11.033 -0.774 -23.357 734 HA ASP 92 HA ASP 92 -11.302 0.660 -25.923 735 1HB ASP 92 HB2 ASP 92 -9.526 -0.619 -26.911 736 2HB ASP 92 HB1 ASP 92 -8.914 0.139 -25.449 737 H ASP 93 HN ASP 93 -11.636 -0.958 -27.749 738 HA ASP 93 HA ASP 93 -14.071 -2.345 -27.304 739 1HB ASP 93 HB2 ASP 93 -13.861 -3.025 -29.681 740 2HB ASP 93 HB1 ASP 93 -13.638 -1.296 -29.435 741 H GLU 94 HN GLU 94 -10.749 -3.531 -27.741 742 HA GLU 94 HA GLU 94 -11.420 -6.288 -27.917 743 1HB GLU 94 HB2 GLU 94 -9.173 -5.097 -28.479 744 2HB GLU 94 HB1 GLU 94 -8.815 -5.309 -26.769 745 1HG GLU 94 HG2 GLU 94 -7.877 -7.175 -27.982 746 2HG GLU 94 HG1 GLU 94 -9.241 -7.759 -27.030 747 H GLU 95 HN GLU 95 -10.560 -4.181 -25.199 748 HA GLU 95 HA GLU 95 -10.497 -6.134 -23.152 749 1HB GLU 95 HB2 GLU 95 -9.697 -3.762 -22.979 750 2HB GLU 95 HB1 GLU 95 -11.377 -3.253 -22.884 751 1HG GLU 95 HG2 GLU 95 -11.659 -4.613 -20.848 752 2HG GLU 95 HG1 GLU 95 -9.970 -5.108 -20.947 753 H MET 96 HN MET 96 -13.147 -4.050 -24.305 754 HA MET 96 HA MET 96 -15.182 -4.916 -22.564 755 1HB MET 96 HB2 MET 96 -15.200 -2.936 -24.187 756 2HB MET 96 HB1 MET 96 -15.622 -4.097 -25.439 757 1HG MET 96 HG2 MET 96 -17.487 -4.768 -23.632 758 2HG MET 96 HG1 MET 96 -17.232 -3.102 -23.134 759 1HE MET 96 HE3 MET 96 -17.597 -5.434 -25.993 760 2HE MET 96 HE2 MET 96 -19.335 -5.173 -26.134 761 3HE MET 96 HE1 MET 96 -18.242 -4.484 -27.333 762 H ASN 97 HN ASN 97 -14.275 -6.101 -25.797 763 HA ASN 97 HA ASN 97 -16.266 -8.109 -26.014 764 1HB ASN 97 HB2 ASN 97 -14.892 -7.158 -27.896 765 2HB ASN 97 HB1 ASN 97 -13.526 -8.105 -27.314 766 1HD2 ASN 97 HD22 ASN 97 -14.622 -11.087 -28.778 767 2HD2 ASN 97 HD21 ASN 97 -13.392 -10.222 -27.902 768 H THR 98 HN THR 98 -12.906 -8.218 -24.838 769 HA THR 98 HA THR 98 -12.722 -10.993 -24.380 770 HB THR 98 HB THR 98 -11.340 -8.717 -22.939 771 HG1 THR 98 HG1 THR 98 -10.787 -8.555 -25.044 772 1HG2 THR 98 HG21 THR 98 -10.890 -11.685 -22.966 773 2HG2 THR 98 HG23 THR 98 -9.526 -10.581 -22.760 774 3HG2 THR 98 HG22 THR 98 -10.855 -10.557 -21.605 775 H TRP 99 HN TRP 99 -13.869 -8.360 -22.267 776 HA TRP 99 HA TRP 99 -14.223 -9.928 -19.923 777 1HB TRP 99 HB2 TRP 99 -15.282 -7.278 -20.858 778 2HB TRP 99 HB1 TRP 99 -15.957 -8.016 -19.412 779 HD1 TRP 99 HD1 TRP 99 -13.390 -5.617 -20.313 780 HE1 TRP 99 HE1 TRP 99 -11.611 -5.414 -18.489 781 HE3 TRP 99 HE3 TRP 99 -14.441 -9.806 -17.564 782 HZ2 TRP 99 HZ2 TRP 99 -10.751 -6.781 -16.214 783 HZ3 TRP 99 HZ3 TRP 99 -13.092 -10.297 -15.568 784 HH2 TRP 99 HH2 TRP 99 -11.265 -8.802 -14.895 785 H ILE 100 HN ILE 100 -16.561 -8.890 -22.414 786 HA ILE 100 HA ILE 100 -18.817 -10.222 -21.380 787 HB ILE 100 HB ILE 100 -18.099 -9.354 -24.181 788 1HG1 ILE 100 HG12 ILE 100 -20.064 -8.231 -22.174 789 2HG1 ILE 100 HG11 ILE 100 -18.436 -7.613 -22.424 790 1HG2 ILE 100 HG23 ILE 100 -20.598 -10.687 -23.168 791 2HG2 ILE 100 HG22 ILE 100 -20.657 -9.555 -24.516 792 3HG2 ILE 100 HG21 ILE 100 -19.683 -11.018 -24.642 793 1HD1 ILE 100 HD11 ILE 100 -19.109 -7.293 -24.879 794 2HD1 ILE 100 HD13 ILE 100 -20.767 -7.557 -24.334 795 3HD1 ILE 100 HD12 ILE 100 -19.837 -6.202 -23.701 796 H GLN 101 HN GLN 101 -16.313 -11.339 -23.648 797 HA GLN 101 HA GLN 101 -17.518 -13.856 -24.243 798 1HB GLN 101 HB2 GLN 101 -14.689 -12.818 -24.480 799 2HB GLN 101 HB1 GLN 101 -15.123 -14.459 -24.940 800 1HG GLN 101 HG2 GLN 101 -16.453 -11.987 -26.073 801 2HG GLN 101 HG1 GLN 101 -15.102 -12.813 -26.842 802 1HE2 GLN 101 HE22 GLN 101 -18.760 -14.082 -27.590 803 2HE2 GLN 101 HE21 GLN 101 -18.307 -12.504 -27.024 804 H ALA 102 HN ALA 102 -15.039 -12.864 -21.890 805 HA ALA 102 HA ALA 102 -14.511 -15.428 -20.816 806 1HB ALA 102 HB1 ALA 102 -13.054 -13.456 -20.466 807 2HB ALA 102 HB3 ALA 102 -14.288 -12.745 -19.423 808 3HB ALA 102 HB2 ALA 102 -13.484 -14.243 -18.948 809 H ILE 103 HN ILE 103 -16.830 -12.911 -19.907 810 HA ILE 103 HA ILE 103 -17.842 -14.274 -17.601 811 HB ILE 103 HB ILE 103 -18.929 -11.996 -19.264 812 1HG1 ILE 103 HG12 ILE 103 -17.938 -11.793 -16.437 813 2HG1 ILE 103 HG11 ILE 103 -16.787 -11.851 -17.764 814 1HG2 ILE 103 HG23 ILE 103 -20.136 -13.415 -16.941 815 2HG2 ILE 103 HG22 ILE 103 -20.268 -11.660 -16.995 816 3HG2 ILE 103 HG21 ILE 103 -20.913 -12.632 -18.320 817 1HD1 ILE 103 HD12 ILE 103 -18.261 -9.952 -18.789 818 2HD1 ILE 103 HD11 ILE 103 -18.827 -9.752 -17.133 819 3HD1 ILE 103 HD13 ILE 103 -17.115 -9.569 -17.505 820 H SER 104 HN SER 104 -18.689 -14.297 -21.028 821 HA SER 104 HA SER 104 -21.227 -15.565 -20.791 822 1HB SER 104 HB2 SER 104 -19.206 -15.456 -23.042 823 2HB SER 104 HB1 SER 104 -20.781 -16.225 -23.195 824 HG SER 104 HG SER 104 -20.194 -13.485 -22.715 825 H SER 105 HN SER 105 -17.919 -16.790 -21.124 826 HA SER 105 HA SER 105 -18.704 -19.573 -21.199 827 1HB SER 105 HB2 SER 105 -15.944 -18.472 -20.616 828 2HB SER 105 HB1 SER 105 -16.369 -20.047 -21.277 829 HG SER 105 HG SER 105 -15.657 -18.129 -22.717 830 H ALA 106 HN ALA 106 -16.528 -17.941 -18.885 831 HA ALA 106 HA ALA 106 -17.825 -18.161 -16.507 832 1HB ALA 106 HB1 ALA 106 -16.688 -20.796 -17.378 833 2HB ALA 106 HB3 ALA 106 -16.626 -20.360 -15.673 834 3HB ALA 106 HB2 ALA 106 -18.178 -20.463 -16.498 No H/Q in entry = 834
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