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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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12229 |
1soy ![]() ![]() |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 7.156 -21.074 -13.701 2 1HB MET 1 2HB MET 1 7.286 -22.307 -10.884 3 2HB MET 1 1HB MET 1 5.867 -22.422 -11.980 4 1HG MET 1 2HG MET 1 8.661 -23.569 -12.489 5 2HG MET 1 1HG MET 1 7.224 -24.470 -11.950 6 1HE MET 1 1HE MET 1 9.083 -25.282 -14.119 7 2HE MET 1 2HE MET 1 8.002 -25.850 -15.433 8 3HE MET 1 3HE MET 1 7.597 -26.213 -13.720 9 H ASN 2 H ASN 2 6.212 -20.773 -10.364 10 HA ASN 2 HA ASN 2 4.848 -18.341 -11.097 11 1HB ASN 2 2HB ASN 2 3.525 -18.878 -8.972 12 2HB ASN 2 1HB ASN 2 3.347 -19.918 -10.421 13 1HD2 ASN 2 1HD2 ASN 2 2.483 -21.552 -9.114 14 2HD2 ASN 2 2HD2 ASN 2 3.440 -22.510 -8.032 15 H ASP 3 H ASP 3 6.780 -19.459 -8.317 16 HA ASP 3 HA ASP 3 6.781 -17.184 -6.871 17 1HB ASP 3 2HB ASP 3 7.514 -19.511 -6.268 18 2HB ASP 3 1HB ASP 3 9.011 -19.280 -7.240 19 H SER 4 H SER 4 9.000 -17.992 -9.544 20 HA SER 4 HA SER 4 10.618 -15.720 -9.320 21 1HB SER 4 2HB SER 4 11.212 -16.420 -11.756 22 2HB SER 4 1HB SER 4 11.529 -17.574 -10.424 23 HG SER 4 HG SER 4 9.576 -17.687 -12.424 24 H GLU 5 H GLU 5 7.637 -16.380 -11.119 25 HA GLU 5 HA GLU 5 7.728 -14.057 -12.709 26 1HB GLU 5 2HB GLU 5 6.354 -16.292 -12.981 27 2HB GLU 5 1HB GLU 5 5.205 -15.560 -11.858 28 1HG GLU 5 2HG GLU 5 4.308 -15.048 -13.946 29 2HG GLU 5 1HG GLU 5 5.153 -13.516 -13.547 30 H PHE 6 H PHE 6 5.818 -14.934 -9.811 31 HA PHE 6 HA PHE 6 4.786 -12.596 -9.085 32 1HB PHE 6 2HB PHE 6 4.579 -14.967 -8.054 33 2HB PHE 6 1HB PHE 6 6.090 -14.641 -7.159 34 HD1 PHE 6 1HD PHE 6 2.845 -13.011 -7.977 35 HD2 PHE 6 2HD PHE 6 5.769 -13.778 -4.997 36 HE1 PHE 6 1HE PHE 6 1.483 -11.802 -6.332 37 HE2 PHE 6 2HE PHE 6 4.385 -12.630 -3.336 38 HZ PHE 6 HZ PHE 6 2.206 -11.661 -4.006 39 H HIS 7 H HIS 7 8.064 -13.703 -8.128 40 HA HIS 7 HA HIS 7 8.640 -11.381 -6.691 41 1HB HIS 7 2HB HIS 7 10.294 -13.652 -7.809 42 2HB HIS 7 1HB HIS 7 11.135 -12.196 -7.198 43 HD1 HIS 7 1HD HIS 7 10.577 -11.390 -4.787 44 HD2 HIS 7 2HD HIS 7 9.580 -15.388 -5.590 45 HE1 HIS 7 1HE HIS 7 10.316 -12.549 -2.565 46 H ARG 8 H ARG 8 9.319 -12.044 -10.184 47 HA ARG 8 HA ARG 8 10.766 -9.632 -10.358 48 1HB ARG 8 2HB ARG 8 10.633 -11.789 -11.939 49 2HB ARG 8 1HB ARG 8 9.400 -10.831 -12.776 50 1HG ARG 8 2HG ARG 8 11.190 -9.991 -13.923 51 2HG ARG 8 1HG ARG 8 11.355 -8.899 -12.527 52 1HD ARG 8 2HD ARG 8 12.912 -11.483 -13.122 53 2HD ARG 8 1HD ARG 8 13.568 -9.809 -13.115 54 HE ARG 8 HE ARG 8 12.946 -11.522 -10.734 55 1HH1 ARG 8 1HH1 ARG 8 13.813 -8.159 -11.688 56 2HH1 ARG 8 2HH1 ARG 8 14.060 -7.738 -10.025 57 1HH2 ARG 8 1HH2 ARG 8 13.243 -10.883 -8.727 58 2HH2 ARG 8 2HH2 ARG 8 13.313 -9.227 -8.313 59 H LEU 9 H LEU 9 7.364 -10.415 -10.952 60 HA LEU 9 HA LEU 9 6.540 -7.877 -11.750 61 1HB LEU 9 2HB LEU 9 5.182 -10.178 -10.272 62 2HB LEU 9 1HB LEU 9 4.307 -8.695 -10.740 63 HG LEU 9 HG LEU 9 5.758 -10.530 -12.723 64 1HD1 LEU 9 1HD1 LEU 9 2.765 -10.385 -11.992 65 2HD1 LEU 9 2HD1 LEU 9 3.897 -11.738 -11.609 66 3HD1 LEU 9 3HD1 LEU 9 3.481 -11.365 -13.325 67 1HD2 LEU 9 1HD2 LEU 9 3.742 -8.228 -13.157 68 2HD2 LEU 9 2HD2 LEU 9 4.341 -9.337 -14.438 69 3HD2 LEU 9 3HD2 LEU 9 5.486 -8.216 -13.617 70 H ALA 10 H ALA 10 6.700 -9.320 -8.449 71 HA ALA 10 HA ALA 10 5.809 -7.128 -7.082 72 1HB ALA 10 1HB ALA 10 6.963 -8.123 -5.107 73 2HB ALA 10 2HB ALA 10 7.900 -9.204 -6.205 74 3HB ALA 10 3HB ALA 10 6.110 -9.384 -6.062 75 H ASP 11 H ASP 11 9.237 -7.917 -7.845 76 HA ASP 11 HA ASP 11 10.359 -5.665 -6.789 77 1HB ASP 11 2HB ASP 11 11.047 -7.747 -8.835 78 2HB ASP 11 1HB ASP 11 11.915 -6.197 -9.079 79 H GLN 12 H GLN 12 9.017 -5.903 -10.136 80 HA GLN 12 HA GLN 12 9.840 -3.242 -10.603 81 1HB GLN 12 2HB GLN 12 8.670 -3.226 -12.645 82 2HB GLN 12 1HB GLN 12 9.585 -4.744 -12.469 83 1HG GLN 12 2HG GLN 12 7.568 -6.037 -12.037 84 2HG GLN 12 1HG GLN 12 6.549 -4.569 -11.875 85 1HE2 GLN 12 1HE2 GLN 12 6.464 -3.097 -13.822 86 2HE2 GLN 12 2HE2 GLN 12 6.357 -3.860 -15.376 87 H LEU 13 H LEU 13 6.718 -4.482 -9.251 88 HA LEU 13 HA LEU 13 5.352 -2.067 -9.487 89 1HB LEU 13 2HB LEU 13 5.303 -4.473 -7.591 90 2HB LEU 13 1HB LEU 13 4.055 -3.175 -7.543 91 HG LEU 13 HG LEU 13 4.783 -4.934 -9.899 92 1HD1 LEU 13 1HD1 LEU 13 2.452 -5.247 -7.892 93 2HD1 LEU 13 2HD1 LEU 13 3.870 -6.345 -8.086 94 3HD1 LEU 13 3HD1 LEU 13 2.638 -6.228 -9.396 95 1HD2 LEU 13 1HD2 LEU 13 3.634 -2.845 -10.673 96 2HD2 LEU 13 2HD2 LEU 13 2.308 -3.111 -9.476 97 3HD2 LEU 13 3HD2 LEU 13 2.510 -4.236 -10.866 98 H TRP 14 H TRP 14 6.961 -3.647 -6.798 99 HA TRP 14 HA TRP 14 6.713 -1.689 -4.894 100 1HB TRP 14 2HB TRP 14 8.549 -4.032 -5.325 101 2HB TRP 14 1HB TRP 14 9.136 -2.817 -4.184 102 HD1 TRP 14 HD TRP 14 8.688 -3.235 -1.869 103 HE1 TRP 14 1HE TRP 14 6.821 -4.285 -0.417 104 HE3 TRP 14 3HE TRP 14 5.611 -4.761 -5.582 105 HZ2 TRP 14 2HZ TRP 14 4.355 -5.589 -0.863 106 HZ3 TRP 14 3HZ TRP 14 3.530 -5.900 -5.025 107 HH2 TRP 14 HH TRP 14 2.903 -6.308 -2.701 108 H LEU 15 H LEU 15 9.492 -2.092 -7.117 109 HA LEU 15 HA LEU 15 10.855 0.160 -6.211 110 1HB LEU 15 2HB LEU 15 11.898 -1.655 -7.498 111 2HB LEU 15 1HB LEU 15 10.875 -1.284 -8.906 112 HG LEU 15 HG LEU 15 11.990 0.904 -9.199 113 1HD1 LEU 15 1HD1 LEU 15 12.563 1.502 -6.845 114 2HD1 LEU 15 2HD1 LEU 15 14.025 1.503 -7.886 115 3HD1 LEU 15 3HD1 LEU 15 13.724 0.119 -6.767 116 1HD2 LEU 15 1HD2 LEU 15 13.974 -1.433 -8.859 117 2HD2 LEU 15 2HD2 LEU 15 14.239 0.053 -9.847 118 3HD2 LEU 15 3HD2 LEU 15 12.938 -1.119 -10.303 119 H THR 16 H THR 16 8.801 -0.132 -9.191 120 HA THR 16 HA THR 16 9.203 2.540 -9.803 121 HB THR 16 HB THR 16 7.120 0.583 -10.757 122 HG1 THR 16 1HG THR 16 8.604 0.502 -12.470 123 1HG2 THR 16 1HG2 THR 16 6.345 2.948 -11.277 124 2HG2 THR 16 2HG2 THR 16 6.910 2.095 -12.750 125 3HG2 THR 16 3HG2 THR 16 7.972 3.313 -11.964 126 H ILE 17 H ILE 17 6.552 1.078 -7.910 127 HA ILE 17 HA ILE 17 5.043 3.433 -7.787 128 HB ILE 17 HB ILE 17 5.142 1.021 -5.973 129 1HG1 ILE 17 2HG1 ILE 17 3.070 1.896 -8.078 130 2HG1 ILE 17 1HG1 ILE 17 4.403 0.760 -8.435 131 1HG2 ILE 17 1HG2 ILE 17 4.259 2.936 -4.671 132 2HG2 ILE 17 2HG2 ILE 17 2.916 1.862 -5.143 133 3HG2 ILE 17 3HG2 ILE 17 3.172 3.397 -6.041 134 1HD1 ILE 17 1HD1 ILE 17 2.426 -0.575 -7.939 135 2HD1 ILE 17 2HD1 ILE 17 2.149 0.288 -6.384 136 3HD1 ILE 17 3HD1 ILE 17 3.594 -0.762 -6.589 137 H GLU 18 H GLU 18 7.422 2.057 -5.445 138 HA GLU 18 HA GLU 18 7.246 4.120 -3.624 139 1HB GLU 18 2HB GLU 18 8.396 1.920 -3.292 140 2HB GLU 18 1HB GLU 18 9.639 2.399 -4.450 141 1HG GLU 18 2HG GLU 18 9.524 4.464 -2.366 142 2HG GLU 18 1HG GLU 18 9.578 2.850 -1.582 143 H GLU 19 H GLU 19 9.518 3.742 -6.304 144 HA GLU 19 HA GLU 19 10.883 6.112 -6.111 145 1HB GLU 19 2HB GLU 19 11.434 4.151 -7.530 146 2HB GLU 19 1HB GLU 19 10.045 4.513 -8.583 147 1HG GLU 19 2HG GLU 19 11.163 6.723 -9.239 148 2HG GLU 19 1HG GLU 19 12.546 6.297 -8.166 149 H ARG 20 H ARG 20 7.844 5.548 -7.969 150 HA ARG 20 HA ARG 20 7.719 8.064 -9.088 151 1HB ARG 20 2HB ARG 20 6.368 6.148 -9.845 152 2HB ARG 20 1HB ARG 20 5.500 6.140 -8.297 153 1HG ARG 20 2HG ARG 20 4.059 7.078 -9.855 154 2HG ARG 20 1HG ARG 20 4.556 8.474 -8.877 155 1HD ARG 20 2HD ARG 20 5.707 7.713 -11.650 156 2HD ARG 20 1HD ARG 20 4.332 8.856 -11.373 157 HE ARG 20 HE ARG 20 6.529 9.783 -9.783 158 1HH1 ARG 20 1HH1 ARG 20 5.447 9.520 -13.190 159 2HH1 ARG 20 2HH1 ARG 20 6.677 10.608 -13.735 160 1HH2 ARG 20 1HH2 ARG 20 8.106 11.470 -10.720 161 2HH2 ARG 20 2HH2 ARG 20 7.743 11.964 -12.314 162 H LEU 21 H LEU 21 6.308 6.923 -5.983 163 HA LEU 21 HA LEU 21 5.167 9.531 -5.583 164 1HB LEU 21 2HB LEU 21 4.118 8.617 -3.594 165 2HB LEU 21 1HB LEU 21 3.847 7.655 -5.070 166 HG LEU 21 HG LEU 21 5.975 6.250 -4.154 167 1HD1 LEU 21 1HD1 LEU 21 4.704 7.444 -1.608 168 2HD1 LEU 21 2HD1 LEU 21 6.433 7.551 -2.110 169 3HD1 LEU 21 3HD1 LEU 21 5.717 5.952 -1.664 170 1HD2 LEU 21 1HD2 LEU 21 3.744 5.365 -4.734 171 2HD2 LEU 21 2HD2 LEU 21 3.064 5.993 -3.184 172 3HD2 LEU 21 3HD2 LEU 21 4.313 4.682 -3.167 173 H ASP 22 H ASP 22 8.066 7.880 -4.228 174 HA ASP 22 HA ASP 22 8.707 9.963 -2.538 175 1HB ASP 22 2HB ASP 22 9.739 7.631 -2.830 176 2HB ASP 22 1HB ASP 22 10.628 8.271 -4.238 177 H ASP 23 H ASP 23 9.055 9.719 -6.049 178 HA ASP 23 HA ASP 23 10.641 11.993 -6.384 179 1HB ASP 23 2HB ASP 23 10.376 10.008 -7.931 180 2HB ASP 23 1HB ASP 23 8.721 10.565 -8.322 181 H TRP 24 H TRP 24 7.097 11.590 -6.871 182 HA TRP 24 HA TRP 24 6.827 14.247 -7.758 183 1HB TRP 24 2HB TRP 24 5.457 12.158 -8.329 184 2HB TRP 24 1HB TRP 24 4.646 12.353 -6.757 185 HD1 TRP 24 HD TRP 24 2.767 14.411 -6.692 186 HE1 TRP 24 1HE TRP 24 1.555 15.626 -8.603 187 HE3 TRP 24 3HE TRP 24 5.824 13.068 -10.505 188 HZ2 TRP 24 2HZ TRP 24 1.834 15.876 -11.404 189 HZ3 TRP 24 3HZ TRP 24 5.230 13.721 -12.788 190 HH2 TRP 24 HH TRP 24 3.270 15.099 -13.231 191 H ASP 25 H ASP 25 6.154 16.131 -6.726 192 HA ASP 25 HA ASP 25 6.070 16.001 -3.848 193 1HB ASP 25 2HB ASP 25 5.867 18.406 -5.726 194 2HB ASP 25 1HB ASP 25 6.050 18.463 -3.927 195 H GLY 26 H GLY 26 4.109 18.484 -4.007 196 1HA GLY 26 2HA GLY 26 1.625 17.604 -4.672 197 2HA GLY 26 1HA GLY 26 2.008 16.794 -3.112 198 H ASP 27 H ASP 27 0.029 17.904 -2.525 199 HA ASP 27 HA ASP 27 0.401 20.659 -1.651 200 1HB ASP 27 2HB ASP 27 -1.832 19.894 -2.536 201 2HB ASP 27 1HB ASP 27 -1.894 18.613 -1.283 202 H SER 28 H SER 28 -0.137 17.402 -0.473 203 HA SER 28 HA SER 28 0.574 18.065 2.254 204 1HB SER 28 2HB SER 28 -1.340 16.491 1.475 205 2HB SER 28 1HB SER 28 -0.070 15.295 1.112 206 HG SER 28 HG SER 28 -1.104 16.189 3.494 207 H ASP 29 H ASP 29 1.974 15.987 3.177 208 HA ASP 29 HA ASP 29 4.462 16.055 1.605 209 1HB ASP 29 2HB ASP 29 4.352 16.944 4.047 210 2HB ASP 29 1HB ASP 29 4.185 15.222 4.537 211 H ILE 30 H ILE 30 5.751 13.837 2.255 212 HA ILE 30 HA ILE 30 4.052 11.570 2.012 213 HB ILE 30 HB ILE 30 4.012 12.375 -0.265 214 1HG1 ILE 30 2HG1 ILE 30 4.952 10.406 -1.435 215 2HG1 ILE 30 1HG1 ILE 30 5.767 9.873 0.055 216 1HG2 ILE 30 1HG2 ILE 30 6.134 13.704 -0.268 217 2HG2 ILE 30 2HG2 ILE 30 6.025 12.560 -1.650 218 3HG2 ILE 30 3HG2 ILE 30 7.086 12.166 -0.266 219 1HD1 ILE 30 1HD1 ILE 30 3.540 8.710 -0.395 220 2HD1 ILE 30 2HD1 ILE 30 2.704 10.292 -0.229 221 3HD1 ILE 30 3HD1 ILE 30 3.551 9.563 1.185 222 H ASP 31 H ASP 31 4.931 10.135 3.177 223 HA ASP 31 HA ASP 31 7.789 9.630 2.842 224 1HB ASP 31 2HB ASP 31 7.409 10.672 5.125 225 2HB ASP 31 1HB ASP 31 6.387 9.251 5.548 226 H CYS 32 H CYS 32 8.008 7.775 1.733 227 HA CYS 32 HA CYS 32 6.023 5.740 1.896 228 1HB CYS 32 2HB CYS 32 7.198 4.936 -0.043 229 2HB CYS 32 1HB CYS 32 7.144 6.684 -0.091 230 HG CYS 32 HG CYS 32 9.526 7.207 0.495 231 H GLU 33 H GLU 33 6.058 3.977 3.104 232 HA GLU 33 HA GLU 33 8.433 3.362 4.720 233 1HB GLU 33 2HB GLU 33 5.531 2.463 4.788 234 2HB GLU 33 1HB GLU 33 6.769 1.650 5.760 235 1HG GLU 33 2HG GLU 33 6.313 4.684 6.019 236 2HG GLU 33 1HG GLU 33 5.288 3.497 6.891 237 H ILE 34 H ILE 34 9.619 1.439 4.391 238 HA ILE 34 HA ILE 34 8.589 -0.458 2.491 239 HB ILE 34 HB ILE 34 10.111 0.771 1.278 240 1HG1 ILE 34 2HG1 ILE 34 12.103 -0.758 1.005 241 2HG1 ILE 34 1HG1 ILE 34 11.602 -1.610 2.496 242 1HG2 ILE 34 1HG2 ILE 34 11.180 2.161 3.018 243 2HG2 ILE 34 2HG2 ILE 34 12.433 1.324 2.056 244 3HG2 ILE 34 3HG2 ILE 34 12.039 0.718 3.694 245 1HD1 ILE 34 1HD1 ILE 34 9.455 -2.328 1.343 246 2HD1 ILE 34 2HD1 ILE 34 10.895 -2.803 0.372 247 3HD1 ILE 34 3HD1 ILE 34 9.927 -1.370 -0.110 248 H ASN 35 H ASN 35 8.204 -2.119 3.496 249 HA ASN 35 HA ASN 35 10.004 -3.073 5.620 250 1HB ASN 35 2HB ASN 35 7.527 -2.098 6.226 251 2HB ASN 35 1HB ASN 35 7.068 -3.796 5.863 252 1HD2 ASN 35 1HD2 ASN 35 7.912 -1.768 8.354 253 2HD2 ASN 35 2HD2 ASN 35 8.593 -2.941 9.452 254 H GLY 36 H GLY 36 9.254 -5.585 5.975 255 1HA GLY 36 2HA GLY 36 10.437 -6.674 3.694 256 2HA GLY 36 1HA GLY 36 9.799 -7.544 5.121 257 H GLY 37 H GLY 37 9.130 -6.406 1.886 258 1HA GLY 37 2HA GLY 37 7.765 -7.201 0.316 259 2HA GLY 37 1HA GLY 37 7.051 -8.365 1.484 260 H VAL 38 H VAL 38 7.300 -4.954 2.287 261 HA VAL 38 HA VAL 38 4.429 -4.614 1.784 262 HB VAL 38 HB VAL 38 5.899 -4.021 4.364 263 1HG1 VAL 38 1HG1 VAL 38 4.063 -2.381 3.979 264 2HG1 VAL 38 2HG1 VAL 38 3.609 -3.536 5.269 265 3HG1 VAL 38 3HG1 VAL 38 2.911 -3.731 3.620 266 1HG2 VAL 38 1HG2 VAL 38 4.363 -5.783 5.359 267 2HG2 VAL 38 2HG2 VAL 38 5.585 -6.451 4.228 268 3HG2 VAL 38 3HG2 VAL 38 3.872 -6.241 3.690 269 H LEU 39 H LEU 39 3.910 -2.554 1.047 270 HA LEU 39 HA LEU 39 5.807 -0.428 1.645 271 1HB LEU 39 2HB LEU 39 4.146 -0.959 -0.861 272 2HB LEU 39 1HB LEU 39 4.629 0.696 -0.428 273 HG LEU 39 HG LEU 39 6.541 -1.638 -0.937 274 1HD1 LEU 39 1HD1 LEU 39 5.840 0.833 -2.691 275 2HD1 LEU 39 2HD1 LEU 39 5.391 -0.882 -3.010 276 3HD1 LEU 39 3HD1 LEU 39 7.124 -0.388 -3.038 277 1HD2 LEU 39 1HD2 LEU 39 8.337 0.171 -1.047 278 2HD2 LEU 39 2HD2 LEU 39 7.690 -0.185 0.585 279 3HD2 LEU 39 3HD2 LEU 39 7.167 1.304 -0.269 280 H THR 40 H THR 40 4.967 1.382 2.468 281 HA THR 40 HA THR 40 2.060 1.559 2.638 282 HB THR 40 HB THR 40 3.467 2.274 5.189 283 HG1 THR 40 1HG THR 40 2.935 -0.324 4.268 284 1HG2 THR 40 1HG2 THR 40 0.814 0.837 4.477 285 2HG2 THR 40 2HG2 THR 40 0.961 2.619 4.737 286 3HG2 THR 40 3HG2 THR 40 1.287 1.468 6.090 287 H ILE 41 H ILE 41 1.474 3.303 1.781 288 HA ILE 41 HA ILE 41 3.502 5.335 1.314 289 HB ILE 41 HB ILE 41 0.773 4.715 0.151 290 1HG1 ILE 41 2HG1 ILE 41 3.518 4.313 -1.129 291 2HG1 ILE 41 1HG1 ILE 41 2.683 3.013 -0.252 292 1HG2 ILE 41 1HG2 ILE 41 1.320 7.169 -0.073 293 2HG2 ILE 41 2HG2 ILE 41 1.377 6.342 -1.655 294 3HG2 ILE 41 3HG2 ILE 41 2.915 6.724 -0.801 295 1HD1 ILE 41 1HD1 ILE 41 0.751 3.068 -1.797 296 2HD1 ILE 41 2HD1 ILE 41 2.295 2.814 -2.681 297 3HD1 ILE 41 3HD1 ILE 41 1.500 4.424 -2.717 298 H THR 42 H THR 42 3.525 6.962 2.887 299 HA THR 42 HA THR 42 0.947 7.439 4.214 300 HB THR 42 HB THR 42 3.688 7.764 5.430 301 HG1 THR 42 1HG THR 42 3.398 5.637 4.929 302 1HG2 THR 42 1HG2 THR 42 2.340 7.567 7.542 303 2HG2 THR 42 2HG2 THR 42 0.816 7.474 6.581 304 3HG2 THR 42 3HG2 THR 42 1.811 8.982 6.584 305 H PHE 43 H PHE 43 0.142 9.433 4.371 306 HA PHE 43 HA PHE 43 1.762 11.628 3.365 307 1HB PHE 43 2HB PHE 43 -1.166 11.979 4.030 308 2HB PHE 43 1HB PHE 43 -0.171 12.709 2.723 309 HD1 PHE 43 1HD PHE 43 -2.470 10.198 3.651 310 HD2 PHE 43 2HD PHE 43 0.568 11.099 0.823 311 HE1 PHE 43 1HE PHE 43 -3.226 8.331 2.246 312 HE2 PHE 43 2HE PHE 43 -0.239 9.298 -0.621 313 HZ PHE 43 HZ PHE 43 -2.149 7.881 0.129 314 H GLU 44 H GLU 44 1.174 13.914 4.508 315 HA GLU 44 HA GLU 44 2.033 13.663 7.124 316 1HB GLU 44 2HB GLU 44 2.627 15.795 6.653 317 2HB GLU 44 1HB GLU 44 2.159 15.350 5.027 318 1HG GLU 44 2HG GLU 44 0.983 17.160 4.974 319 2HG GLU 44 1HG GLU 44 -0.314 16.251 5.783 320 H ASN 45 H ASN 45 -1.035 13.725 5.678 321 HA ASN 45 HA ASN 45 -2.660 14.472 7.851 322 1HB ASN 45 2HB ASN 45 -3.332 14.441 5.451 323 2HB ASN 45 1HB ASN 45 -3.059 12.673 5.381 324 1HD2 ASN 45 1HD2 ASN 45 -5.257 15.224 6.664 325 2HD2 ASN 45 2HD2 ASN 45 -6.472 14.123 7.227 326 H GLY 46 H GLY 46 -0.772 11.577 7.357 327 1HA GLY 46 2HA GLY 46 -0.476 9.969 8.886 328 2HA GLY 46 1HA GLY 46 -1.980 10.445 9.737 329 H SER 47 H SER 47 -3.157 10.323 6.830 330 HA SER 47 HA SER 47 -3.938 7.553 6.931 331 1HB SER 47 2HB SER 47 -4.632 9.905 5.109 332 2HB SER 47 1HB SER 47 -5.146 8.229 4.726 333 HG SER 47 HG SER 47 -5.785 9.722 7.053 334 H LYS 48 H LYS 48 -3.932 6.299 4.656 335 HA LYS 48 HA LYS 48 -1.460 6.493 3.371 336 1HB LYS 48 2HB LYS 48 -0.286 4.617 4.535 337 2HB LYS 48 1HB LYS 48 -0.573 5.995 5.616 338 1HG LYS 48 2HG LYS 48 -2.714 4.755 6.456 339 2HG LYS 48 1HG LYS 48 -2.121 3.358 5.517 340 1HD LYS 48 2HD LYS 48 -1.318 2.939 7.688 341 2HD LYS 48 1HD LYS 48 0.116 3.660 6.881 342 1HE LYS 48 2HE LYS 48 -0.554 5.917 7.937 343 2HE LYS 48 1HE LYS 48 -1.893 5.059 8.795 344 1HZ LYS 48 1HZ LYS 48 -0.072 5.189 10.233 345 2HZ LYS 48 2HZ LYS 48 1.030 4.672 9.058 346 3HZ LYS 48 3HZ LYS 48 -0.051 3.567 9.717 347 H ILE 49 H ILE 49 -0.935 4.714 2.061 348 HA ILE 49 HA ILE 49 -3.183 2.940 1.417 349 HB ILE 49 HB ILE 49 -0.629 3.142 -0.172 350 1HG1 ILE 49 2HG1 ILE 49 -1.255 5.420 0.028 351 2HG1 ILE 49 1HG1 ILE 49 -1.496 4.814 -1.633 352 1HG2 ILE 49 1HG2 ILE 49 -2.159 2.466 -2.029 353 2HG2 ILE 49 2HG2 ILE 49 -3.539 2.403 -0.876 354 3HG2 ILE 49 3HG2 ILE 49 -2.158 1.265 -0.697 355 1HD1 ILE 49 1HD1 ILE 49 -3.384 6.312 -1.017 356 2HD1 ILE 49 2HD1 ILE 49 -3.774 5.282 0.402 357 3HD1 ILE 49 3HD1 ILE 49 -3.977 4.640 -1.274 358 H ILE 50 H ILE 50 -2.925 0.760 1.659 359 HA ILE 50 HA ILE 50 -0.444 -0.162 2.951 360 HB ILE 50 HB ILE 50 -3.124 -1.511 2.913 361 1HG1 ILE 50 2HG1 ILE 50 -3.595 0.641 3.975 362 2HG1 ILE 50 1HG1 ILE 50 -3.611 -0.694 5.155 363 1HG2 ILE 50 1HG2 ILE 50 -1.247 -2.985 3.501 364 2HG2 ILE 50 2HG2 ILE 50 -2.263 -2.639 4.946 365 3HG2 ILE 50 3HG2 ILE 50 -0.674 -1.808 4.755 366 1HD1 ILE 50 1HD1 ILE 50 -1.347 1.365 4.799 367 2HD1 ILE 50 2HD1 ILE 50 -1.280 -0.038 5.936 368 3HD1 ILE 50 3HD1 ILE 50 -2.509 1.249 6.163 369 H ILE 51 H ILE 51 0.820 -1.273 1.547 370 HA ILE 51 HA ILE 51 -0.474 -3.127 -0.351 371 HB ILE 51 HB ILE 51 2.110 -1.651 -0.817 372 1HG1 ILE 51 2HG1 ILE 51 -0.810 -1.043 -1.375 373 2HG1 ILE 51 1HG1 ILE 51 0.450 0.022 -0.771 374 1HG2 ILE 51 1HG2 ILE 51 1.882 -3.905 -1.941 375 2HG2 ILE 51 2HG2 ILE 51 1.762 -2.578 -3.121 376 3HG2 ILE 51 3HG2 ILE 51 0.261 -3.412 -2.575 377 1HD1 ILE 51 1HD1 ILE 51 -0.077 0.646 -3.127 378 2HD1 ILE 51 2HD1 ILE 51 0.130 -1.062 -3.660 379 3HD1 ILE 51 3HD1 ILE 51 1.566 -0.111 -3.125 380 H ASN 52 H ASN 52 -0.004 -5.147 -0.200 381 HA ASN 52 HA ASN 52 2.397 -6.214 0.798 382 1HB ASN 52 2HB ASN 52 1.569 -5.524 2.948 383 2HB ASN 52 1HB ASN 52 -0.094 -6.100 2.600 384 1HD2 ASN 52 1HD2 ASN 52 -0.286 -7.601 4.291 385 2HD2 ASN 52 2HD2 ASN 52 0.837 -8.914 4.570 386 H ARG 53 H ARG 53 1.830 -8.727 0.991 387 HA ARG 53 HA ARG 53 0.287 -9.290 -1.445 388 1HB ARG 53 2HB ARG 53 2.550 -10.533 -2.002 389 2HB ARG 53 1HB ARG 53 2.313 -8.745 -2.294 390 1HG ARG 53 2HG ARG 53 3.590 -8.158 -0.362 391 2HG ARG 53 1HG ARG 53 3.676 -9.837 0.240 392 1HD ARG 53 2HD ARG 53 4.894 -9.060 -2.497 393 2HD ARG 53 1HD ARG 53 5.716 -8.643 -0.940 394 HE ARG 53 HE ARG 53 4.808 -11.458 -1.083 395 1HH1 ARG 53 1HH1 ARG 53 7.530 -9.256 -1.884 396 2HH1 ARG 53 2HH1 ARG 53 8.730 -10.441 -1.553 397 1HH2 ARG 53 1HH2 ARG 53 6.480 -12.910 -0.406 398 2HH2 ARG 53 2HH2 ARG 53 8.128 -12.421 -0.529 399 H GLN 54 H GLN 54 -0.175 -11.449 -1.963 400 HA GLN 54 HA GLN 54 -0.709 -12.921 0.482 401 1HB GLN 54 2HB GLN 54 -2.004 -12.552 -2.268 402 2HB GLN 54 1HB GLN 54 -2.601 -13.758 -1.085 403 1HG GLN 54 2HG GLN 54 -2.427 -10.742 -0.432 404 2HG GLN 54 1HG GLN 54 -3.812 -11.488 -1.294 405 1HE2 GLN 54 1HE2 GLN 54 -5.474 -11.899 0.020 406 2HE2 GLN 54 2HE2 GLN 54 -5.369 -12.282 1.714 407 H GLU 55 H GLU 55 -1.335 -14.461 -2.509 408 HA GLU 55 HA GLU 55 0.309 -16.552 -1.654 409 1HB GLU 55 2HB GLU 55 -1.174 -16.319 -4.318 410 2HB GLU 55 1HB GLU 55 -0.615 -17.826 -3.543 411 1HG GLU 55 2HG GLU 55 -2.833 -15.948 -2.492 412 2HG GLU 55 1HG GLU 55 -3.070 -17.480 -3.389 413 HA PRO 56 HA PRO 56 3.500 -15.737 -4.786 414 1HB PRO 56 2HB PRO 56 5.166 -17.864 -4.337 415 2HB PRO 56 1HB PRO 56 5.068 -16.460 -3.221 416 1HG PRO 56 2HG PRO 56 3.606 -19.144 -2.930 417 2HG PRO 56 1HG PRO 56 4.601 -18.270 -1.687 418 1HD PRO 56 2HD PRO 56 1.820 -18.058 -1.869 419 2HD PRO 56 1HD PRO 56 2.854 -16.657 -1.321 420 H LEU 57 H LEU 57 1.294 -16.250 -5.775 421 HA LEU 57 HA LEU 57 1.895 -18.205 -7.885 422 1HB LEU 57 2HB LEU 57 -0.914 -17.264 -7.010 423 2HB LEU 57 1HB LEU 57 -0.545 -18.282 -8.458 424 HG LEU 57 HG LEU 57 0.038 -18.895 -5.555 425 1HD1 LEU 57 1HD1 LEU 57 -1.943 -20.459 -5.619 426 2HD1 LEU 57 2HD1 LEU 57 -2.278 -19.949 -7.316 427 3HD1 LEU 57 3HD1 LEU 57 -2.425 -18.758 -5.966 428 1HD2 LEU 57 1HD2 LEU 57 1.536 -20.234 -7.026 429 2HD2 LEU 57 2HD2 LEU 57 0.124 -20.772 -8.026 430 3HD2 LEU 57 3HD2 LEU 57 0.291 -21.314 -6.316 431 H HIS 58 H HIS 58 -0.679 -16.102 -8.157 432 HA HIS 58 HA HIS 58 0.914 -13.687 -8.644 433 1HB HIS 58 2HB HIS 58 -1.475 -14.569 -10.373 434 2HB HIS 58 1HB HIS 58 -0.797 -12.909 -10.365 435 HD1 HIS 58 1HD HIS 58 -0.842 -13.748 -12.990 436 HD2 HIS 58 2HD HIS 58 2.216 -15.310 -10.567 437 HE1 HIS 58 1HE HIS 58 0.990 -14.535 -14.512 438 H GLN 59 H GLN 59 0.178 -13.117 -6.332 439 HA GLN 59 HA GLN 59 -2.397 -11.870 -6.568 440 1HB GLN 59 2HB GLN 59 -2.681 -14.344 -5.702 441 2HB GLN 59 1HB GLN 59 -1.982 -13.655 -4.194 442 1HG GLN 59 2HG GLN 59 -3.892 -12.095 -3.950 443 2HG GLN 59 1HG GLN 59 -4.565 -12.606 -5.540 444 1HE2 GLN 59 1HE2 GLN 59 -5.424 -14.754 -5.759 445 2HE2 GLN 59 2HE2 GLN 59 -5.785 -15.748 -4.362 446 H VAL 60 H VAL 60 -2.295 -10.019 -5.761 447 HA VAL 60 HA VAL 60 -0.747 -9.406 -3.349 448 HB VAL 60 HB VAL 60 -0.631 -7.894 -5.969 449 1HG1 VAL 60 1HG1 VAL 60 -0.610 -6.201 -4.110 450 2HG1 VAL 60 2HG1 VAL 60 1.020 -6.395 -4.815 451 3HG1 VAL 60 3HG1 VAL 60 0.646 -7.170 -3.236 452 1HG2 VAL 60 1HG2 VAL 60 1.377 -9.505 -4.264 453 2HG2 VAL 60 2HG2 VAL 60 1.879 -8.384 -5.590 454 3HG2 VAL 60 3HG2 VAL 60 0.867 -9.828 -5.960 455 H TRP 61 H TRP 61 -1.454 -7.337 -2.302 456 HA TRP 61 HA TRP 61 -4.333 -7.047 -2.554 457 1HB TRP 61 2HB TRP 61 -4.452 -7.773 -0.462 458 2HB TRP 61 1HB TRP 61 -2.697 -8.024 -0.445 459 HD1 TRP 61 HD TRP 61 -1.579 -5.203 -0.095 460 HE1 TRP 61 1HE TRP 61 -2.292 -3.586 1.747 461 HE3 TRP 61 3HE TRP 61 -5.693 -7.634 1.527 462 HZ2 TRP 61 2HZ TRP 61 -4.013 -3.721 4.074 463 HZ3 TRP 61 3HZ TRP 61 -6.818 -6.871 3.561 464 HH2 TRP 61 HH TRP 61 -5.992 -4.950 4.806 465 H LEU 62 H LEU 62 -5.219 -4.744 -2.165 466 HA LEU 62 HA LEU 62 -3.307 -3.196 -0.976 467 1HB LEU 62 2HB LEU 62 -2.972 -1.342 -2.231 468 2HB LEU 62 1HB LEU 62 -2.646 -2.731 -3.314 469 HG LEU 62 HG LEU 62 -5.300 -1.206 -3.396 470 1HD1 LEU 62 1HD1 LEU 62 -3.461 0.433 -3.754 471 2HD1 LEU 62 2HD1 LEU 62 -4.232 0.075 -5.339 472 3HD1 LEU 62 3HD1 LEU 62 -2.656 -0.678 -4.920 473 1HD2 LEU 62 1HD2 LEU 62 -5.310 -2.115 -5.754 474 2HD2 LEU 62 2HD2 LEU 62 -5.316 -3.418 -4.499 475 3HD2 LEU 62 3HD2 LEU 62 -3.784 -3.013 -5.379 476 H ALA 63 H ALA 63 -4.013 -1.883 0.348 477 HA ALA 63 HA ALA 63 -6.906 -1.328 0.423 478 1HB ALA 63 1HB ALA 63 -6.892 -1.497 2.865 479 2HB ALA 63 2HB ALA 63 -5.120 -1.834 2.855 480 3HB ALA 63 3HB ALA 63 -6.275 -3.007 2.117 481 H THR 64 H THR 64 -7.656 0.466 1.422 482 HA THR 64 HA THR 64 -6.043 2.740 1.837 483 HB THR 64 HB THR 64 -5.756 2.614 -0.531 484 HG1 THR 64 1HG THR 64 -5.837 4.698 0.307 485 1HG2 THR 64 1HG2 THR 64 -8.823 2.937 -0.756 486 2HG2 THR 64 2HG2 THR 64 -7.886 1.440 -1.134 487 3HG2 THR 64 3HG2 THR 64 -7.628 2.929 -2.094 488 H LYS 65 H LYS 65 -8.159 4.530 0.883 489 HA LYS 65 HA LYS 65 -9.399 5.018 3.268 490 1HB LYS 65 2HB LYS 65 -8.829 6.452 1.129 491 2HB LYS 65 1HB LYS 65 -10.521 6.162 0.689 492 1HG LYS 65 2HG LYS 65 -9.477 7.393 3.322 493 2HG LYS 65 1HG LYS 65 -10.065 8.299 1.898 494 1HD LYS 65 2HD LYS 65 -12.329 7.204 2.198 495 2HD LYS 65 1HD LYS 65 -11.763 6.516 3.746 496 1HE LYS 65 2HE LYS 65 -11.812 9.531 3.053 497 2HE LYS 65 1HE LYS 65 -13.087 8.668 3.996 498 1HZ LYS 65 1HZ LYS 65 -11.529 9.761 5.447 499 2HZ LYS 65 2HZ LYS 65 -10.219 8.947 4.774 500 3HZ LYS 65 3HZ LYS 65 -11.418 8.101 5.638 501 H GLN 66 H GLN 66 -10.934 3.807 0.237 502 HA GLN 66 HA GLN 66 -13.462 3.542 1.552 503 1HB GLN 66 2HB GLN 66 -12.929 4.263 -0.881 504 2HB GLN 66 1HB GLN 66 -12.646 2.536 -1.209 505 1HG GLN 66 2HG GLN 66 -15.084 2.144 -0.330 506 2HG GLN 66 1HG GLN 66 -15.248 3.930 -0.281 507 1HE2 GLN 66 1HE2 GLN 66 -16.112 4.795 -2.172 508 2HE2 GLN 66 2HE2 GLN 66 -15.988 4.049 -3.751 509 H GLY 67 H GLY 67 -10.775 1.787 1.841 510 1HA GLY 67 2HA GLY 67 -10.870 -0.237 3.075 511 2HA GLY 67 1HA GLY 67 -12.147 -0.832 1.942 512 H GLY 68 H GLY 68 -11.496 -0.720 -0.388 513 1HA GLY 68 2HA GLY 68 -9.850 -0.919 -2.019 514 2HA GLY 68 1HA GLY 68 -8.670 -1.471 -0.779 515 H TYR 69 H TYR 69 -8.285 -3.139 -2.497 516 HA TYR 69 HA TYR 69 -9.717 -5.496 -1.987 517 1HB TYR 69 2HB TYR 69 -11.010 -3.878 -3.891 518 2HB TYR 69 1HB TYR 69 -9.985 -4.910 -4.933 519 HD1 TYR 69 1HD TYR 69 -10.312 -7.354 -4.866 520 HD2 TYR 69 2HD TYR 69 -12.783 -4.753 -2.594 521 HE1 TYR 69 1HE TYR 69 -11.924 -9.170 -4.532 522 HE2 TYR 69 2HE TYR 69 -14.403 -6.554 -2.277 523 HH TYR 69 HH TYR 69 -14.944 -8.723 -2.756 524 H HIS 70 H HIS 70 -8.768 -7.295 -3.441 525 HA HIS 70 HA HIS 70 -5.994 -6.707 -3.767 526 1HB HIS 70 2HB HIS 70 -5.773 -9.144 -4.419 527 2HB HIS 70 1HB HIS 70 -6.351 -8.709 -2.785 528 HD1 HIS 70 1HD HIS 70 -7.694 -9.861 -6.230 529 HD2 HIS 70 2HD HIS 70 -8.807 -9.969 -2.177 530 HE1 HIS 70 1HE HIS 70 -9.859 -11.105 -6.089 531 H PHE 71 H PHE 71 -4.747 -7.565 -5.498 532 HA PHE 71 HA PHE 71 -5.442 -5.814 -7.728 533 1HB PHE 71 2HB PHE 71 -3.810 -5.227 -5.815 534 2HB PHE 71 1HB PHE 71 -2.881 -6.693 -6.182 535 HD1 PHE 71 1HD PHE 71 -4.077 -3.514 -7.667 536 HD2 PHE 71 2HD PHE 71 -1.046 -6.487 -7.602 537 HE1 PHE 71 1HE PHE 71 -2.670 -2.098 -9.081 538 HE2 PHE 71 2HE PHE 71 0.378 -5.077 -9.001 539 HZ PHE 71 HZ PHE 71 -0.409 -2.891 -9.747 540 H ASP 72 H ASP 72 -5.763 -7.005 -9.616 541 HA ASP 72 HA ASP 72 -4.051 -9.334 -10.003 542 1HB ASP 72 2HB ASP 72 -7.098 -9.395 -10.370 543 2HB ASP 72 1HB ASP 72 -5.919 -10.700 -10.767 544 H LEU 73 H LEU 73 -3.952 -10.123 -12.196 545 HA LEU 73 HA LEU 73 -3.516 -7.693 -13.796 546 1HB LEU 73 2HB LEU 73 -1.663 -9.112 -13.079 547 2HB LEU 73 1HB LEU 73 -2.323 -10.480 -14.010 548 HG LEU 73 HG LEU 73 -1.844 -7.832 -15.446 549 1HD1 LEU 73 1HD1 LEU 73 0.566 -8.388 -15.779 550 2HD1 LEU 73 2HD1 LEU 73 0.411 -9.772 -14.636 551 3HD1 LEU 73 3HD1 LEU 73 0.193 -8.083 -14.040 552 1HD2 LEU 73 1HD2 LEU 73 -1.255 -10.760 -16.239 553 2HD2 LEU 73 2HD2 LEU 73 -1.186 -9.328 -17.321 554 3HD2 LEU 73 3HD2 LEU 73 -2.773 -9.893 -16.681 555 H LYS 74 H LYS 74 -4.509 -7.204 -15.643 556 HA LYS 74 HA LYS 74 -6.246 -9.220 -16.850 557 1HB LYS 74 2HB LYS 74 -7.242 -7.115 -16.112 558 2HB LYS 74 1HB LYS 74 -6.050 -6.158 -17.039 559 1HG LYS 74 2HG LYS 74 -6.945 -7.043 -19.147 560 2HG LYS 74 1HG LYS 74 -8.043 -8.166 -18.258 561 1HD LYS 74 2HD LYS 74 -9.011 -6.044 -17.097 562 2HD LYS 74 1HD LYS 74 -8.194 -5.091 -18.367 563 1HE LYS 74 2HE LYS 74 -10.391 -7.255 -18.743 564 2HE LYS 74 1HE LYS 74 -10.583 -5.466 -18.911 565 1HZ LYS 74 1HZ LYS 74 -9.131 -7.352 -20.677 566 2HZ LYS 74 2HZ LYS 74 -8.780 -5.696 -20.683 567 3HZ LYS 74 3HZ LYS 74 -10.352 -6.226 -21.032 568 H GLY 75 H GLY 75 -3.898 -6.654 -17.747 569 1HA GLY 75 2HA GLY 75 -2.528 -8.515 -19.448 570 2HA GLY 75 1HA GLY 75 -3.421 -7.205 -20.319 571 H ASP 76 H ASP 76 -2.513 -5.163 -20.369 572 HA ASP 76 HA ASP 76 0.195 -4.922 -19.411 573 1HB ASP 76 2HB ASP 76 -1.604 -2.881 -20.848 574 2HB ASP 76 1HB ASP 76 0.188 -2.840 -20.724 575 H GLU 77 H GLU 77 -2.263 -4.900 -17.454 576 HA GLU 77 HA GLU 77 -1.834 -2.512 -15.974 577 1HB GLU 77 2HB GLU 77 -3.054 -1.683 -18.053 578 2HB GLU 77 1HB GLU 77 -4.402 -2.765 -17.635 579 1HG GLU 77 2HG GLU 77 -4.811 -1.471 -15.541 580 2HG GLU 77 1HG GLU 77 -3.319 -0.489 -15.828 581 H TRP 78 H TRP 78 -2.434 -3.022 -13.988 582 HA TRP 78 HA TRP 78 -3.740 -5.597 -13.572 583 1HB TRP 78 2HB TRP 78 -2.409 -3.621 -11.642 584 2HB TRP 78 1HB TRP 78 -3.222 -5.140 -11.154 585 HD1 TRP 78 HD TRP 78 -0.157 -4.052 -13.419 586 HE1 TRP 78 1HE TRP 78 1.721 -5.737 -12.947 587 HE3 TRP 78 3HE TRP 78 -2.671 -7.126 -10.290 588 HZ2 TRP 78 2HZ TRP 78 2.080 -8.043 -11.357 589 HZ3 TRP 78 3HZ TRP 78 -1.493 -9.025 -9.271 590 HH2 TRP 78 HH TRP 78 0.831 -9.454 -9.752 591 H ILE 79 H ILE 79 -5.785 -5.752 -12.507 592 HA ILE 79 HA ILE 79 -7.303 -3.252 -12.455 593 HB ILE 79 HB ILE 79 -9.269 -4.526 -12.629 594 1HG1 ILE 79 2HG1 ILE 79 -7.490 -7.008 -12.452 595 2HG1 ILE 79 1HG1 ILE 79 -8.783 -6.518 -11.333 596 1HG2 ILE 79 1HG2 ILE 79 -7.964 -3.853 -14.671 597 2HG2 ILE 79 2HG2 ILE 79 -8.980 -5.303 -14.945 598 3HG2 ILE 79 3HG2 ILE 79 -7.201 -5.487 -14.713 599 1HD1 ILE 79 1HD1 ILE 79 -9.621 -8.323 -12.733 600 2HD1 ILE 79 2HD1 ILE 79 -9.153 -7.472 -14.242 601 3HD1 ILE 79 3HD1 ILE 79 -10.481 -6.816 -13.214 602 H CYS 80 H CYS 80 -8.863 -3.195 -10.551 603 HA CYS 80 HA CYS 80 -7.790 -4.731 -8.351 604 1HB CYS 80 2HB CYS 80 -9.727 -2.441 -8.464 605 2HB CYS 80 1HB CYS 80 -10.057 -3.642 -7.214 606 HG CYS 80 HG CYS 80 -8.717 -1.601 -6.176 607 H ASP 81 H ASP 81 -9.008 -6.676 -7.718 608 HA ASP 81 HA ASP 81 -10.530 -7.838 -9.655 609 1HB ASP 81 2HB ASP 81 -9.124 -8.926 -7.929 610 2HB ASP 81 1HB ASP 81 -10.321 -8.486 -6.666 611 H ARG 82 H ARG 82 -11.641 -6.168 -6.820 612 HA ARG 82 HA ARG 82 -13.921 -6.415 -6.110 613 1HB ARG 82 2HB ARG 82 -12.397 -4.415 -6.043 614 2HB ARG 82 1HB ARG 82 -13.262 -3.739 -7.429 615 1HG ARG 82 2HG ARG 82 -14.608 -4.521 -4.739 616 2HG ARG 82 1HG ARG 82 -13.782 -2.978 -5.051 617 1HD ARG 82 2HD ARG 82 -15.440 -2.722 -7.104 618 2HD ARG 82 1HD ARG 82 -16.413 -3.987 -6.280 619 HE ARG 82 HE ARG 82 -16.757 -2.451 -4.409 620 1HH1 ARG 82 1HH1 ARG 82 -14.857 -0.728 -6.863 621 2HH1 ARG 82 2HH1 ARG 82 -14.287 0.447 -5.723 622 1HH2 ARG 82 1HH2 ARG 82 -16.452 -0.743 -3.189 623 2HH2 ARG 82 2HH2 ARG 82 -15.390 0.580 -3.623 624 H SER 83 H SER 83 -14.555 -4.196 -8.898 625 HA SER 83 HA SER 83 -16.294 -6.305 -9.971 626 1HB SER 83 2HB SER 83 -16.351 -3.272 -10.411 627 2HB SER 83 1HB SER 83 -17.310 -4.466 -11.347 628 HG SER 83 HG SER 83 -18.500 -3.601 -9.680 629 H GLY 84 H GLY 84 -13.275 -4.727 -10.247 630 1HA GLY 84 2HA GLY 84 -11.819 -5.500 -11.966 631 2HA GLY 84 1HA GLY 84 -13.160 -5.282 -13.146 632 H GLU 85 H GLU 85 -11.049 -3.608 -10.883 633 HA GLU 85 HA GLU 85 -11.823 -1.076 -12.186 634 1HB GLU 85 2HB GLU 85 -10.212 -0.945 -9.667 635 2HB GLU 85 1HB GLU 85 -11.395 0.183 -10.371 636 1HG GLU 85 2HG GLU 85 -11.971 -2.474 -8.918 637 2HG GLU 85 1HG GLU 85 -12.139 -0.818 -8.252 638 H THR 86 H THR 86 -9.034 -0.167 -10.827 639 HA THR 86 HA THR 86 -7.342 -1.199 -12.918 640 HB THR 86 HB THR 86 -8.124 1.768 -12.651 641 HG1 THR 86 1HG THR 86 -9.098 1.620 -14.543 642 1HG2 THR 86 1HG2 THR 86 -6.765 2.055 -14.811 643 2HG2 THR 86 2HG2 THR 86 -6.259 0.338 -14.681 644 3HG2 THR 86 3HG2 THR 86 -5.723 1.543 -13.447 645 H PHE 87 H PHE 87 -5.266 -1.255 -12.245 646 HA PHE 87 HA PHE 87 -4.143 -0.576 -10.020 647 1HB PHE 87 2HB PHE 87 -3.201 -1.787 -11.929 648 2HB PHE 87 1HB PHE 87 -3.004 -0.283 -12.860 649 HD1 PHE 87 1HD PHE 87 -1.960 0.310 -9.406 650 HD2 PHE 87 2HD PHE 87 -0.876 -1.544 -13.100 651 HE1 PHE 87 1HE PHE 87 0.338 0.366 -8.752 652 HE2 PHE 87 2HE PHE 87 1.457 -1.558 -12.388 653 HZ PHE 87 HZ PHE 87 2.082 -0.633 -10.210 654 H TRP 88 H TRP 88 -2.964 1.584 -12.542 655 HA TRP 88 HA TRP 88 -2.095 3.374 -10.732 656 1HB TRP 88 2HB TRP 88 -2.738 3.947 -13.681 657 2HB TRP 88 1HB TRP 88 -1.450 4.668 -12.670 658 HD1 TRP 88 HD TRP 88 -1.965 1.946 -15.187 659 HE1 TRP 88 1HE TRP 88 0.318 0.770 -15.530 660 HE3 TRP 88 3HE TRP 88 0.373 3.492 -10.960 661 HZ2 TRP 88 2HZ TRP 88 2.754 0.574 -14.185 662 HZ3 TRP 88 3HZ TRP 88 2.676 2.783 -10.548 663 HH2 TRP 88 HH TRP 88 3.856 1.353 -12.138 664 H ASP 89 H ASP 89 -5.092 3.311 -12.426 665 HA ASP 89 HA ASP 89 -5.744 6.060 -11.973 666 1HB ASP 89 2HB ASP 89 -6.415 4.740 -14.012 667 2HB ASP 89 1HB ASP 89 -7.507 3.748 -12.972 668 H LEU 90 H LEU 90 -6.830 2.953 -10.400 669 HA LEU 90 HA LEU 90 -8.645 4.420 -8.830 670 1HB LEU 90 2HB LEU 90 -8.925 2.013 -9.408 671 2HB LEU 90 1HB LEU 90 -7.522 1.618 -8.372 672 HG LEU 90 HG LEU 90 -8.627 2.562 -6.415 673 1HD1 LEU 90 1HD1 LEU 90 -10.216 4.232 -7.373 674 2HD1 LEU 90 2HD1 LEU 90 -11.176 2.995 -6.494 675 3HD1 LEU 90 3HD1 LEU 90 -11.076 2.932 -8.287 676 1HD2 LEU 90 1HD2 LEU 90 -8.830 0.134 -6.938 677 2HD2 LEU 90 2HD2 LEU 90 -10.381 0.452 -7.823 678 3HD2 LEU 90 3HD2 LEU 90 -10.280 0.738 -6.043 679 H LEU 91 H LEU 91 -5.474 3.043 -8.418 680 HA LEU 91 HA LEU 91 -4.804 3.871 -5.876 681 1HB LEU 91 2HB LEU 91 -3.452 2.353 -7.301 682 2HB LEU 91 1HB LEU 91 -3.015 3.734 -8.347 683 HG LEU 91 HG LEU 91 -1.822 4.792 -6.415 684 1HD1 LEU 91 1HD1 LEU 91 -1.282 3.425 -4.388 685 2HD1 LEU 91 2HD1 LEU 91 -2.438 2.158 -4.936 686 3HD1 LEU 91 3HD1 LEU 91 -3.040 3.800 -4.481 687 1HD2 LEU 91 1HD2 LEU 91 -0.937 1.910 -7.062 688 2HD2 LEU 91 2HD2 LEU 91 0.117 3.231 -6.433 689 3HD2 LEU 91 3HD2 LEU 91 -0.619 3.373 -8.070 690 H GLU 92 H GLU 92 -4.627 5.818 -8.889 691 HA GLU 92 HA GLU 92 -3.804 8.165 -7.691 692 1HB GLU 92 2HB GLU 92 -3.889 7.874 -10.087 693 2HB GLU 92 1HB GLU 92 -5.663 7.793 -10.086 694 1HG GLU 92 2HG GLU 92 -4.291 10.251 -8.879 695 2HG GLU 92 1HG GLU 92 -4.253 10.032 -10.653 696 H GLN 93 H GLN 93 -7.302 7.172 -8.243 697 HA GLN 93 HA GLN 93 -8.360 9.268 -6.895 698 1HB GLN 93 2HB GLN 93 -9.291 6.359 -7.108 699 2HB GLN 93 1HB GLN 93 -10.289 7.707 -6.485 700 1HG GLN 93 2HG GLN 93 -9.956 8.901 -8.747 701 2HG GLN 93 1HG GLN 93 -9.214 7.385 -9.360 702 1HE2 GLN 93 1HE2 GLN 93 -12.157 8.621 -7.653 703 2HE2 GLN 93 2HE2 GLN 93 -13.259 7.464 -8.337 704 H ALA 94 H ALA 94 -7.252 6.211 -5.463 705 HA ALA 94 HA ALA 94 -8.038 6.636 -2.836 706 1HB ALA 94 1HB ALA 94 -5.687 5.125 -4.126 707 2HB ALA 94 2HB ALA 94 -7.319 4.469 -3.750 708 3HB ALA 94 3HB ALA 94 -6.203 4.922 -2.414 709 H ALA 95 H ALA 95 -4.794 7.236 -4.301 710 HA ALA 95 HA ALA 95 -3.756 8.407 -1.994 711 1HB ALA 95 1HB ALA 95 -2.890 8.610 -4.933 712 2HB ALA 95 2HB ALA 95 -2.391 7.332 -3.776 713 3HB ALA 95 3HB ALA 95 -1.859 9.031 -3.503 714 H THR 96 H THR 96 -4.959 10.004 -5.007 715 HA THR 96 HA THR 96 -4.799 12.569 -4.323 716 HB THR 96 HB THR 96 -6.979 11.052 -5.797 717 HG1 THR 96 1HG THR 96 -5.773 11.497 -7.506 718 1HG2 THR 96 1HG2 THR 96 -7.382 13.260 -6.977 719 2HG2 THR 96 2HG2 THR 96 -6.344 14.087 -5.761 720 3HG2 THR 96 3HG2 THR 96 -7.901 13.306 -5.266 721 H GLN 97 H GLN 97 -7.509 10.395 -3.349 722 HA GLN 97 HA GLN 97 -8.820 12.598 -2.132 723 1HB GLN 97 2HB GLN 97 -10.552 11.272 -1.504 724 2HB GLN 97 1HB GLN 97 -9.994 10.677 -3.088 725 1HG GLN 97 2HG GLN 97 -8.752 8.794 -1.837 726 2HG GLN 97 1HG GLN 97 -9.558 9.316 -0.319 727 1HE2 GLN 97 1HE2 GLN 97 -10.090 8.092 -3.619 728 2HE2 GLN 97 2HE2 GLN 97 -11.615 7.308 -3.276 729 H GLN 98 H GLN 98 -6.522 10.197 -0.819 730 HA GLN 98 HA GLN 98 -7.033 11.185 1.831 731 1HB GLN 98 2HB GLN 98 -4.868 9.333 0.776 732 2HB GLN 98 1HB GLN 98 -5.218 9.715 2.504 733 1HG GLN 98 2HG GLN 98 -7.652 8.916 2.004 734 2HG GLN 98 1HG GLN 98 -7.021 8.246 0.479 735 1HE2 GLN 98 1HE2 GLN 98 -7.449 7.670 3.851 736 2HE2 GLN 98 2HE2 GLN 98 -6.660 6.108 3.859 737 H ALA 99 H ALA 99 -4.532 11.810 -0.653 738 HA ALA 99 HA ALA 99 -3.031 13.444 1.095 739 1HB ALA 99 1HB ALA 99 -1.642 13.850 -0.904 740 2HB ALA 99 2HB ALA 99 -2.925 13.120 -1.956 741 3HB ALA 99 3HB ALA 99 -2.046 12.107 -0.767 742 H GLY 100 H GLY 100 -5.369 14.186 -1.521 743 1HA GLY 100 2HA GLY 100 -6.736 15.994 -1.352 744 2HA GLY 100 1HA GLY 100 -5.501 16.908 -0.446 745 H GLU 101 H GLU 101 -4.521 15.247 -3.345 746 HA GLU 101 HA GLU 101 -5.033 17.324 -5.176 747 1HB GLU 101 2HB GLU 101 -3.235 18.590 -4.247 748 2HB GLU 101 1HB GLU 101 -2.287 17.126 -3.861 749 1HG GLU 101 2HG GLU 101 -1.650 16.751 -6.130 750 2HG GLU 101 1HG GLU 101 -2.882 17.889 -6.767 751 H THR 102 H THR 102 -4.434 16.493 -7.344 752 HA THR 102 HA THR 102 -4.595 13.816 -7.672 753 HB THR 102 HB THR 102 -3.248 15.740 -9.573 754 HG1 THR 102 1HG THR 102 -5.226 16.015 -10.358 755 1HG2 THR 102 1HG2 THR 102 -4.634 12.972 -9.905 756 2HG2 THR 102 2HG2 THR 102 -2.902 13.330 -10.235 757 3HG2 THR 102 3HG2 THR 102 -4.170 14.054 -11.269 758 H VAL 103 H VAL 103 -3.275 12.280 -6.912 759 HA VAL 103 HA VAL 103 -0.406 12.677 -6.948 760 HB VAL 103 HB VAL 103 -2.044 10.332 -6.021 761 1HG1 VAL 103 1HG1 VAL 103 0.951 11.083 -5.678 762 2HG1 VAL 103 2HG1 VAL 103 0.317 9.689 -6.636 763 3HG1 VAL 103 3HG1 VAL 103 0.132 9.717 -4.847 764 1HG2 VAL 103 1HG2 VAL 103 -0.751 12.718 -4.522 765 2HG2 VAL 103 2HG2 VAL 103 -1.410 11.251 -3.713 766 3HG2 VAL 103 3HG2 VAL 103 -2.510 12.338 -4.628 767 H SER 104 H SER 104 0.617 12.317 -8.687 768 HA SER 104 HA SER 104 -0.809 11.049 -10.877 769 1HB SER 104 2HB SER 104 1.760 12.696 -10.930 770 2HB SER 104 1HB SER 104 0.865 12.105 -12.368 771 HG SER 104 HG SER 104 0.030 13.971 -10.415 772 H PHE 105 H PHE 105 -0.581 8.780 -10.765 773 HA PHE 105 HA PHE 105 2.076 7.709 -10.722 774 1HB PHE 105 2HB PHE 105 -0.746 6.482 -10.944 775 2HB PHE 105 1HB PHE 105 0.814 5.553 -10.907 776 HD1 PHE 105 1HD PHE 105 2.300 5.714 -8.980 777 HD2 PHE 105 2HD PHE 105 -1.612 7.367 -8.907 778 HE1 PHE 105 1HE PHE 105 2.398 5.828 -6.537 779 HE2 PHE 105 2HE PHE 105 -1.527 7.476 -6.470 780 HZ PHE 105 HZ PHE 105 0.483 6.713 -5.271 781 H ARG 106 H ARG 106 -0.418 8.427 -13.152 782 HA ARG 106 HA ARG 106 1.186 7.108 -15.212 783 1HB ARG 106 2HB ARG 106 -1.507 8.548 -15.191 784 2HB ARG 106 1HB ARG 106 -0.674 8.125 -16.702 785 1HG ARG 106 2HG ARG 106 -1.532 6.021 -14.628 786 2HG ARG 106 1HG ARG 106 -2.548 6.612 -15.988 787 1HD ARG 106 2HD ARG 106 -0.674 5.964 -17.597 788 2HD ARG 106 1HD ARG 106 0.128 5.111 -16.223 789 HE ARG 106 HE ARG 106 -2.619 4.188 -16.385 790 1HH1 ARG 106 1HH1 ARG 106 0.339 4.152 -18.434 791 2HH1 ARG 106 2HH1 ARG 106 -0.229 2.711 -19.267 792 1HH2 ARG 106 1HH2 ARG 106 -3.113 2.112 -17.519 793 2HH2 ARG 106 2HH2 ARG 106 -1.968 1.648 -18.744 Start of MODEL 2 1 HA MET 1 HA MET 1 8.150 -18.870 -13.108 2 1HB MET 1 2HB MET 1 6.684 -21.552 -12.794 3 2HB MET 1 1HB MET 1 6.383 -20.390 -14.119 4 1HG MET 1 2HG MET 1 9.011 -21.873 -13.588 5 2HG MET 1 1HG MET 1 7.798 -22.260 -14.833 6 1HE MET 1 1HE MET 1 10.830 -21.986 -15.259 7 2HE MET 1 2HE MET 1 10.847 -21.169 -16.855 8 3HE MET 1 3HE MET 1 9.610 -22.423 -16.507 9 H ASN 2 H ASN 2 6.778 -19.803 -10.082 10 HA ASN 2 HA ASN 2 4.331 -18.244 -10.645 11 1HB ASN 2 2HB ASN 2 4.889 -20.535 -8.659 12 2HB ASN 2 1HB ASN 2 3.370 -19.551 -8.696 13 1HD2 ASN 2 1HD2 ASN 2 4.624 -22.452 -9.757 14 2HD2 ASN 2 2HD2 ASN 2 3.547 -22.686 -11.113 15 H ASP 3 H ASP 3 6.014 -19.147 -7.608 16 HA ASP 3 HA ASP 3 5.746 -16.754 -6.341 17 1HB ASP 3 2HB ASP 3 8.013 -18.848 -6.156 18 2HB ASP 3 1HB ASP 3 7.668 -17.582 -4.927 19 H SER 4 H SER 4 8.431 -17.985 -8.346 20 HA SER 4 HA SER 4 10.085 -15.802 -8.158 21 1HB SER 4 2HB SER 4 9.753 -17.730 -10.514 22 2HB SER 4 1HB SER 4 11.145 -16.612 -10.261 23 HG SER 4 HG SER 4 11.725 -18.518 -9.385 24 H GLU 5 H GLU 5 7.404 -16.322 -10.459 25 HA GLU 5 HA GLU 5 7.958 -14.047 -12.015 26 1HB GLU 5 2HB GLU 5 6.603 -15.811 -12.904 27 2HB GLU 5 1HB GLU 5 5.399 -15.649 -11.592 28 1HG GLU 5 2HG GLU 5 4.640 -13.483 -12.426 29 2HG GLU 5 1HG GLU 5 6.030 -13.353 -13.557 30 H PHE 6 H PHE 6 5.462 -14.488 -9.396 31 HA PHE 6 HA PHE 6 5.017 -11.719 -9.418 32 1HB PHE 6 2HB PHE 6 4.002 -14.067 -7.909 33 2HB PHE 6 1HB PHE 6 4.026 -12.559 -6.933 34 HD1 PHE 6 1HD PHE 6 3.153 -13.643 -10.433 35 HD2 PHE 6 2HD PHE 6 2.262 -11.158 -7.103 36 HE1 PHE 6 1HE PHE 6 1.299 -12.651 -11.676 37 HE2 PHE 6 2HE PHE 6 0.385 -10.180 -8.341 38 HZ PHE 6 HZ PHE 6 -0.097 -10.907 -10.620 39 H HIS 7 H HIS 7 7.479 -13.479 -7.611 40 HA HIS 7 HA HIS 7 8.169 -11.349 -5.946 41 1HB HIS 7 2HB HIS 7 9.140 -13.429 -5.434 42 2HB HIS 7 1HB HIS 7 9.459 -13.779 -7.151 43 HD1 HIS 7 1HD HIS 7 11.107 -11.750 -4.368 44 HD2 HIS 7 2HD HIS 7 11.871 -13.574 -8.058 45 HE1 HIS 7 1HE HIS 7 13.588 -11.541 -4.782 46 H ARG 8 H ARG 8 9.101 -12.018 -9.357 47 HA ARG 8 HA ARG 8 10.837 -9.762 -9.407 48 1HB ARG 8 2HB ARG 8 10.869 -11.960 -10.818 49 2HB ARG 8 1HB ARG 8 9.657 -11.160 -11.835 50 1HG ARG 8 2HG ARG 8 11.434 -10.357 -12.977 51 2HG ARG 8 1HG ARG 8 11.603 -9.153 -11.677 52 1HD ARG 8 2HD ARG 8 13.087 -11.870 -11.891 53 2HD ARG 8 1HD ARG 8 13.753 -10.239 -12.306 54 HE ARG 8 HE ARG 8 12.768 -10.258 -9.546 55 1HH1 ARG 8 1HH1 ARG 8 15.570 -11.350 -11.501 56 2HH1 ARG 8 2HH1 ARG 8 16.630 -11.260 -10.125 57 1HH2 ARG 8 1HH2 ARG 8 14.164 -10.180 -7.880 58 2HH2 ARG 8 2HH2 ARG 8 15.887 -10.311 -8.158 59 H LEU 9 H LEU 9 7.538 -10.389 -10.686 60 HA LEU 9 HA LEU 9 7.134 -7.844 -11.702 61 1HB LEU 9 2HB LEU 9 5.185 -9.907 -10.546 62 2HB LEU 9 1HB LEU 9 4.675 -8.415 -11.389 63 HG LEU 9 HG LEU 9 6.292 -10.694 -12.645 64 1HD1 LEU 9 1HD1 LEU 9 4.195 -11.129 -13.915 65 2HD1 LEU 9 2HD1 LEU 9 3.359 -9.802 -13.026 66 3HD1 LEU 9 3HD1 LEU 9 3.910 -11.272 -12.138 67 1HD2 LEU 9 1HD2 LEU 9 6.911 -8.562 -13.749 68 2HD2 LEU 9 2HD2 LEU 9 5.172 -8.098 -13.889 69 3HD2 LEU 9 3HD2 LEU 9 5.814 -9.503 -14.817 70 H ALA 10 H ALA 10 6.428 -9.081 -8.358 71 HA ALA 10 HA ALA 10 5.416 -6.684 -7.459 72 1HB ALA 10 1HB ALA 10 6.999 -8.793 -5.888 73 2HB ALA 10 2HB ALA 10 5.219 -8.773 -6.149 74 3HB ALA 10 3HB ALA 10 5.987 -7.475 -5.171 75 H ASP 11 H ASP 11 8.878 -7.696 -7.650 76 HA ASP 11 HA ASP 11 9.865 -5.437 -6.414 77 1HB ASP 11 2HB ASP 11 10.870 -7.741 -7.531 78 2HB ASP 11 1HB ASP 11 11.477 -6.542 -8.708 79 H GLN 12 H GLN 12 8.891 -5.882 -9.819 80 HA GLN 12 HA GLN 12 9.727 -3.325 -10.626 81 1HB GLN 12 2HB GLN 12 7.677 -5.274 -11.730 82 2HB GLN 12 1HB GLN 12 7.952 -3.687 -12.487 83 1HG GLN 12 2HG GLN 12 10.156 -5.795 -12.069 84 2HG GLN 12 1HG GLN 12 9.216 -5.554 -13.585 85 1HE2 GLN 12 1HE2 GLN 12 11.959 -5.328 -13.770 86 2HE2 GLN 12 2HE2 GLN 12 12.522 -3.684 -13.623 87 H LEU 13 H LEU 13 6.422 -4.340 -9.407 88 HA LEU 13 HA LEU 13 5.301 -1.844 -9.613 89 1HB LEU 13 2HB LEU 13 4.892 -4.041 -7.509 90 2HB LEU 13 1HB LEU 13 3.749 -2.719 -7.922 91 HG LEU 13 HG LEU 13 4.635 -5.023 -9.685 92 1HD1 LEU 13 1HD1 LEU 13 3.148 -5.724 -7.808 93 2HD1 LEU 13 2HD1 LEU 13 2.283 -5.874 -9.383 94 3HD1 LEU 13 3HD1 LEU 13 1.929 -4.482 -8.294 95 1HD2 LEU 13 1HD2 LEU 13 2.505 -2.838 -10.251 96 2HD2 LEU 13 2HD2 LEU 13 2.765 -4.306 -11.261 97 3HD2 LEU 13 3HD2 LEU 13 4.061 -3.063 -11.142 98 H TRP 14 H TRP 14 6.899 -3.470 -6.949 99 HA TRP 14 HA TRP 14 6.749 -1.682 -4.940 100 1HB TRP 14 2HB TRP 14 8.732 -3.810 -5.732 101 2HB TRP 14 1HB TRP 14 9.323 -2.638 -4.559 102 HD1 TRP 14 HD TRP 14 9.615 -3.995 -2.586 103 HE1 TRP 14 1HE TRP 14 8.008 -4.850 -0.775 104 HE3 TRP 14 3HE TRP 14 5.302 -3.865 -5.260 105 HZ2 TRP 14 2HZ TRP 14 5.250 -5.442 -0.562 106 HZ3 TRP 14 3HZ TRP 14 3.227 -4.547 -4.195 107 HH2 TRP 14 HH TRP 14 3.189 -5.288 -1.862 108 H LEU 15 H LEU 15 9.571 -1.882 -7.139 109 HA LEU 15 HA LEU 15 10.774 0.462 -6.408 110 1HB LEU 15 2HB LEU 15 11.734 -1.368 -7.797 111 2HB LEU 15 1HB LEU 15 10.625 -0.960 -9.126 112 HG LEU 15 HG LEU 15 11.740 1.302 -9.326 113 1HD1 LEU 15 1HD1 LEU 15 13.704 0.148 -7.238 114 2HD1 LEU 15 2HD1 LEU 15 12.637 1.587 -7.018 115 3HD1 LEU 15 3HD1 LEU 15 13.970 1.635 -8.223 116 1HD2 LEU 15 1HD2 LEU 15 12.414 -0.633 -10.760 117 2HD2 LEU 15 2HD2 LEU 15 13.623 -1.131 -9.515 118 3HD2 LEU 15 3HD2 LEU 15 13.818 0.436 -10.382 119 H THR 16 H THR 16 8.518 0.001 -9.147 120 HA THR 16 HA THR 16 8.806 2.579 -10.072 121 HB THR 16 HB THR 16 6.426 0.750 -10.519 122 HG1 THR 16 1HG THR 16 8.174 -0.328 -11.100 123 1HG2 THR 16 1HG2 THR 16 6.362 1.935 -12.746 124 2HG2 THR 16 2HG2 THR 16 7.681 3.033 -12.209 125 3HG2 THR 16 3HG2 THR 16 6.062 3.086 -11.401 126 H ILE 17 H ILE 17 6.216 1.357 -7.877 127 HA ILE 17 HA ILE 17 5.030 3.969 -7.981 128 HB ILE 17 HB ILE 17 4.088 1.763 -6.194 129 1HG1 ILE 17 2HG1 ILE 17 3.533 2.380 -9.170 130 2HG1 ILE 17 1HG1 ILE 17 4.311 0.890 -8.549 131 1HG2 ILE 17 1HG2 ILE 17 2.805 4.225 -7.555 132 2HG2 ILE 17 2HG2 ILE 17 3.229 4.097 -5.805 133 3HG2 ILE 17 3HG2 ILE 17 1.965 3.041 -6.486 134 1HD1 ILE 17 1HD1 ILE 17 2.214 0.284 -7.325 135 2HD1 ILE 17 2HD1 ILE 17 2.019 0.372 -9.115 136 3HD1 ILE 17 3HD1 ILE 17 1.382 1.696 -8.084 137 H GLU 18 H GLU 18 7.279 2.272 -5.820 138 HA GLU 18 HA GLU 18 7.140 4.119 -3.737 139 1HB GLU 18 2HB GLU 18 8.444 1.963 -3.677 140 2HB GLU 18 1HB GLU 18 9.593 2.678 -4.821 141 1HG GLU 18 2HG GLU 18 9.673 4.616 -2.847 142 2HG GLU 18 1HG GLU 18 9.260 3.180 -1.865 143 H GLU 19 H GLU 19 9.185 3.995 -6.658 144 HA GLU 19 HA GLU 19 10.405 6.424 -6.496 145 1HB GLU 19 2HB GLU 19 9.489 4.851 -8.942 146 2HB GLU 19 1HB GLU 19 10.448 6.359 -9.052 147 1HG GLU 19 2HG GLU 19 12.267 5.323 -7.688 148 2HG GLU 19 1HG GLU 19 11.386 3.767 -7.670 149 H ARG 20 H ARG 20 7.209 5.873 -8.150 150 HA ARG 20 HA ARG 20 7.098 8.556 -8.849 151 1HB ARG 20 2HB ARG 20 5.594 6.442 -9.684 152 2HB ARG 20 1HB ARG 20 4.500 7.081 -8.468 153 1HG ARG 20 2HG ARG 20 4.008 7.994 -10.693 154 2HG ARG 20 1HG ARG 20 4.546 9.308 -9.601 155 1HD ARG 20 2HD ARG 20 5.418 9.472 -11.980 156 2HD ARG 20 1HD ARG 20 6.713 9.451 -10.724 157 HE ARG 20 HE ARG 20 5.817 6.845 -11.953 158 1HH1 ARG 20 1HH1 ARG 20 8.596 9.078 -11.365 159 2HH1 ARG 20 2HH1 ARG 20 9.722 7.779 -11.496 160 1HH2 ARG 20 1HH2 ARG 20 7.291 5.304 -12.178 161 2HH2 ARG 20 2HH2 ARG 20 9.021 5.684 -12.076 162 H LEU 21 H LEU 21 5.555 6.965 -6.041 163 HA LEU 21 HA LEU 21 4.486 9.308 -5.025 164 1HB LEU 21 2HB LEU 21 5.367 6.714 -3.660 165 2HB LEU 21 1HB LEU 21 4.400 7.993 -2.846 166 HG LEU 21 HG LEU 21 3.524 6.463 -5.360 167 1HD1 LEU 21 1HD1 LEU 21 2.488 6.234 -2.467 168 2HD1 LEU 21 2HD1 LEU 21 3.587 5.040 -3.266 169 3HD1 LEU 21 3HD1 LEU 21 1.911 5.322 -3.906 170 1HD2 LEU 21 1HD2 LEU 21 1.291 7.495 -4.916 171 2HD2 LEU 21 2HD2 LEU 21 2.516 8.768 -5.249 172 3HD2 LEU 21 3HD2 LEU 21 2.000 8.451 -3.556 173 H ASP 22 H ASP 22 7.672 7.837 -4.072 174 HA ASP 22 HA ASP 22 8.311 9.843 -2.339 175 1HB ASP 22 2HB ASP 22 9.349 7.533 -2.824 176 2HB ASP 22 1HB ASP 22 10.261 8.310 -4.153 177 H ASP 23 H ASP 23 8.723 9.820 -5.872 178 HA ASP 23 HA ASP 23 9.961 12.412 -5.827 179 1HB ASP 23 2HB ASP 23 10.614 10.369 -7.264 180 2HB ASP 23 1HB ASP 23 9.112 10.687 -8.197 181 H TRP 24 H TRP 24 7.068 12.084 -4.984 182 HA TRP 24 HA TRP 24 5.470 13.257 -6.929 183 1HB TRP 24 2HB TRP 24 4.590 12.038 -5.032 184 2HB TRP 24 1HB TRP 24 5.279 13.215 -3.890 185 HD1 TRP 24 HD TRP 24 3.276 14.663 -6.902 186 HE1 TRP 24 1HE TRP 24 1.195 15.778 -5.903 187 HE3 TRP 24 3HE TRP 24 3.581 12.795 -2.197 188 HZ2 TRP 24 2HZ TRP 24 -0.217 15.728 -3.462 189 HZ3 TRP 24 3HZ TRP 24 1.818 13.336 -0.586 190 HH2 TRP 24 HH TRP 24 -0.052 14.773 -1.208 191 H ASP 25 H ASP 25 6.594 14.987 -4.000 192 HA ASP 25 HA ASP 25 7.597 16.832 -3.719 193 1HB ASP 25 2HB ASP 25 8.797 16.403 -5.900 194 2HB ASP 25 1HB ASP 25 7.611 17.478 -6.692 195 H GLY 26 H GLY 26 7.372 19.221 -3.930 196 1HA GLY 26 2HA GLY 26 5.943 21.031 -4.397 197 2HA GLY 26 1HA GLY 26 4.518 19.959 -4.161 198 H ASP 27 H ASP 27 3.450 20.793 -2.487 199 HA ASP 27 HA ASP 27 4.679 22.161 -0.353 200 1HB ASP 27 2HB ASP 27 1.910 21.224 -1.325 201 2HB ASP 27 1HB ASP 27 2.084 22.050 0.253 202 H SER 28 H SER 28 3.608 18.958 -1.008 203 HA SER 28 HA SER 28 3.009 18.170 1.646 204 1HB SER 28 2HB SER 28 2.562 15.951 0.617 205 2HB SER 28 1HB SER 28 1.788 17.291 -0.273 206 HG SER 28 HG SER 28 2.813 15.869 -1.672 207 H ASP 29 H ASP 29 3.801 16.046 2.536 208 HA ASP 29 HA ASP 29 6.509 15.409 1.784 209 1HB ASP 29 2HB ASP 29 6.297 16.826 4.004 210 2HB ASP 29 1HB ASP 29 5.624 15.336 4.732 211 H ILE 30 H ILE 30 6.978 13.086 2.475 212 HA ILE 30 HA ILE 30 4.785 11.379 2.681 213 HB ILE 30 HB ILE 30 4.309 12.102 0.458 214 1HG1 ILE 30 2HG1 ILE 30 5.454 9.270 0.316 215 2HG1 ILE 30 1HG1 ILE 30 3.999 9.689 1.276 216 1HG2 ILE 30 1HG2 ILE 30 7.107 11.088 -0.348 217 2HG2 ILE 30 2HG2 ILE 30 6.609 12.821 -0.243 218 3HG2 ILE 30 3HG2 ILE 30 5.836 11.734 -1.435 219 1HD1 ILE 30 1HD1 ILE 30 3.286 8.882 -0.953 220 2HD1 ILE 30 2HD1 ILE 30 4.323 10.105 -1.768 221 3HD1 ILE 30 3HD1 ILE 30 2.901 10.629 -0.797 222 H ASP 31 H ASP 31 5.468 9.759 3.656 223 HA ASP 31 HA ASP 31 8.284 8.939 3.569 224 1HB ASP 31 2HB ASP 31 7.154 10.013 5.676 225 2HB ASP 31 1HB ASP 31 6.211 8.505 5.809 226 H CYS 32 H CYS 32 8.219 7.309 1.930 227 HA CYS 32 HA CYS 32 6.241 5.269 2.112 228 1HB CYS 32 2HB CYS 32 7.171 4.642 -0.044 229 2HB CYS 32 1HB CYS 32 6.948 6.379 0.041 230 HG CYS 32 HG CYS 32 9.360 7.083 0.255 231 H GLU 33 H GLU 33 6.544 3.219 2.939 232 HA GLU 33 HA GLU 33 9.226 2.665 4.018 233 1HB GLU 33 2HB GLU 33 6.552 2.140 5.413 234 2HB GLU 33 1HB GLU 33 8.153 1.490 5.894 235 1HG GLU 33 2HG GLU 33 8.824 4.097 5.844 236 2HG GLU 33 1HG GLU 33 7.071 4.324 6.150 237 H ILE 34 H ILE 34 10.079 0.704 3.631 238 HA ILE 34 HA ILE 34 8.431 -1.302 2.387 239 HB ILE 34 HB ILE 34 9.970 -0.593 0.829 240 1HG1 ILE 34 2HG1 ILE 34 11.625 -2.462 0.640 241 2HG1 ILE 34 1HG1 ILE 34 11.196 -2.977 2.295 242 1HG2 ILE 34 1HG2 ILE 34 11.452 0.853 2.202 243 2HG2 ILE 34 2HG2 ILE 34 12.430 -0.344 1.294 244 3HG2 ILE 34 3HG2 ILE 34 12.135 -0.596 3.038 245 1HD1 ILE 34 1HD1 ILE 34 9.243 -2.806 -0.117 246 2HD1 ILE 34 2HD1 ILE 34 8.817 -3.427 1.527 247 3HD1 ILE 34 3HD1 ILE 34 10.000 -4.318 0.513 248 H ASN 35 H ASN 35 7.885 -2.611 3.712 249 HA ASN 35 HA ASN 35 9.656 -3.581 5.874 250 1HB ASN 35 2HB ASN 35 6.587 -3.295 5.900 251 2HB ASN 35 1HB ASN 35 7.533 -4.182 7.157 252 1HD2 ASN 35 1HD2 ASN 35 6.585 -0.992 5.985 253 2HD2 ASN 35 2HD2 ASN 35 7.429 -0.091 7.217 254 H GLY 36 H GLY 36 8.536 -5.962 6.529 255 1HA GLY 36 2HA GLY 36 9.669 -7.373 4.403 256 2HA GLY 36 1HA GLY 36 8.906 -8.023 5.884 257 H GLY 37 H GLY 37 8.523 -7.289 2.539 258 1HA GLY 37 2HA GLY 37 7.164 -8.219 1.001 259 2HA GLY 37 1HA GLY 37 6.188 -8.986 2.300 260 H VAL 38 H VAL 38 6.803 -5.633 2.751 261 HA VAL 38 HA VAL 38 4.057 -5.031 1.900 262 HB VAL 38 HB VAL 38 5.335 -4.460 4.595 263 1HG1 VAL 38 1HG1 VAL 38 3.707 -2.687 3.927 264 2HG1 VAL 38 2HG1 VAL 38 3.006 -3.729 5.208 265 3HG1 VAL 38 3HG1 VAL 38 2.486 -3.946 3.498 266 1HG2 VAL 38 1HG2 VAL 38 4.818 -6.852 4.497 267 2HG2 VAL 38 2HG2 VAL 38 3.213 -6.525 3.746 268 3HG2 VAL 38 3HG2 VAL 38 3.545 -6.035 5.456 269 H LEU 39 H LEU 39 3.937 -3.103 0.747 270 HA LEU 39 HA LEU 39 5.774 -1.006 1.623 271 1HB LEU 39 2HB LEU 39 4.499 -1.614 -1.002 272 2HB LEU 39 1HB LEU 39 4.756 0.108 -0.659 273 HG LEU 39 HG LEU 39 7.003 -1.954 -0.418 274 1HD1 LEU 39 1HD1 LEU 39 6.067 -1.738 -2.804 275 2HD1 LEU 39 2HD1 LEU 39 7.789 -1.191 -2.633 276 3HD1 LEU 39 3HD1 LEU 39 6.466 0.027 -2.716 277 1HD2 LEU 39 1HD2 LEU 39 6.980 1.145 -0.600 278 2HD2 LEU 39 2HD2 LEU 39 8.464 0.127 -0.659 279 3HD2 LEU 39 3HD2 LEU 39 7.459 0.162 0.838 280 H THR 40 H THR 40 5.042 0.451 2.760 281 HA THR 40 HA THR 40 2.153 1.041 2.931 282 HB THR 40 HB THR 40 2.992 1.819 5.359 283 HG1 THR 40 1HG THR 40 5.134 1.127 4.852 284 1HG2 THR 40 1HG2 THR 40 2.243 -0.397 6.276 285 2HG2 THR 40 2HG2 THR 40 2.466 -1.152 4.654 286 3HG2 THR 40 3HG2 THR 40 1.213 0.115 4.891 287 H ILE 41 H ILE 41 1.775 3.071 2.335 288 HA ILE 41 HA ILE 41 4.120 4.815 2.432 289 HB ILE 41 HB ILE 41 1.993 4.914 0.267 290 1HG1 ILE 41 2HG1 ILE 41 4.172 4.341 -1.119 291 2HG1 ILE 41 1HG1 ILE 41 4.723 3.552 0.382 292 1HG2 ILE 41 1HG2 ILE 41 3.711 6.491 -0.749 293 2HG2 ILE 41 2HG2 ILE 41 4.634 6.441 0.794 294 3HG2 ILE 41 3HG2 ILE 41 2.960 7.121 0.740 295 1HD1 ILE 41 1HD1 ILE 41 2.658 2.053 0.299 296 2HD1 ILE 41 2HD1 ILE 41 3.588 1.974 -1.229 297 3HD1 ILE 41 3HD1 ILE 41 2.090 2.957 -1.151 298 H THR 42 H THR 42 3.921 6.672 3.449 299 HA THR 42 HA THR 42 1.201 7.416 4.308 300 HB THR 42 HB THR 42 1.981 7.934 6.549 301 HG1 THR 42 1HG THR 42 4.359 6.954 5.486 302 1HG2 THR 42 1HG2 THR 42 1.898 5.624 7.354 303 2HG2 THR 42 2HG2 THR 42 2.404 4.980 5.749 304 3HG2 THR 42 3HG2 THR 42 0.801 5.780 5.938 305 H PHE 43 H PHE 43 0.678 9.491 4.191 306 HA PHE 43 HA PHE 43 2.890 11.364 3.738 307 1HB PHE 43 2HB PHE 43 1.293 12.634 2.189 308 2HB PHE 43 1HB PHE 43 2.123 11.175 1.614 309 HD1 PHE 43 1HD PHE 43 -1.038 12.715 2.004 310 HD2 PHE 43 2HD PHE 43 0.939 8.979 1.562 311 HE1 PHE 43 1HE PHE 43 -3.066 11.749 1.031 312 HE2 PHE 43 2HE PHE 43 -1.088 8.006 0.631 313 HZ PHE 43 HZ PHE 43 -3.067 9.401 0.271 314 H GLU 44 H GLU 44 2.047 13.761 3.895 315 HA GLU 44 HA GLU 44 2.269 13.983 6.528 316 1HB GLU 44 2HB GLU 44 2.748 16.189 5.920 317 2HB GLU 44 1HB GLU 44 2.995 15.225 4.449 318 1HG GLU 44 2HG GLU 44 1.936 16.905 3.444 319 2HG GLU 44 1HG GLU 44 0.489 15.927 3.808 320 H ASN 45 H ASN 45 -0.668 14.147 4.727 321 HA ASN 45 HA ASN 45 -2.293 15.380 6.636 322 1HB ASN 45 2HB ASN 45 -2.969 13.188 4.566 323 2HB ASN 45 1HB ASN 45 -4.192 14.219 5.396 324 1HD2 ASN 45 1HD2 ASN 45 -3.880 16.634 5.159 325 2HD2 ASN 45 2HD2 ASN 45 -3.176 17.237 3.672 326 H GLY 46 H GLY 46 -0.855 12.266 6.844 327 1HA GLY 46 2HA GLY 46 -1.141 10.657 8.408 328 2HA GLY 46 1HA GLY 46 -2.568 11.527 9.069 329 H SER 47 H SER 47 -1.755 10.426 5.813 330 HA SER 47 HA SER 47 -4.166 8.750 5.695 331 1HB SER 47 2HB SER 47 -2.966 10.638 3.592 332 2HB SER 47 1HB SER 47 -4.236 9.408 3.231 333 HG SER 47 HG SER 47 -5.028 11.542 3.634 334 H LYS 48 H LYS 48 -3.882 6.980 3.918 335 HA LYS 48 HA LYS 48 -1.103 6.176 3.865 336 1HB LYS 48 2HB LYS 48 -1.531 4.183 5.257 337 2HB LYS 48 1HB LYS 48 -1.740 5.708 6.157 338 1HG LYS 48 2HG LYS 48 -4.220 5.581 5.866 339 2HG LYS 48 1HG LYS 48 -4.049 4.019 5.022 340 1HD LYS 48 2HD LYS 48 -3.178 4.595 7.922 341 2HD LYS 48 1HD LYS 48 -4.730 3.863 7.412 342 1HE LYS 48 2HE LYS 48 -3.431 1.946 6.331 343 2HE LYS 48 1HE LYS 48 -1.915 2.639 7.040 344 1HZ LYS 48 1HZ LYS 48 -2.737 1.003 8.482 345 2HZ LYS 48 2HZ LYS 48 -4.319 1.652 8.501 346 3HZ LYS 48 3HZ LYS 48 -3.045 2.472 9.241 347 H ILE 49 H ILE 49 -0.538 4.671 2.491 348 HA ILE 49 HA ILE 49 -2.637 3.127 1.137 349 HB ILE 49 HB ILE 49 0.245 3.194 0.262 350 1HG1 ILE 49 2HG1 ILE 49 -0.214 5.503 0.351 351 2HG1 ILE 49 1HG1 ILE 49 -0.099 4.932 -1.325 352 1HG2 ILE 49 1HG2 ILE 49 -0.768 2.597 -1.918 353 2HG2 ILE 49 2HG2 ILE 49 -2.422 2.720 -1.219 354 3HG2 ILE 49 3HG2 ILE 49 -1.291 1.442 -0.645 355 1HD1 ILE 49 1HD1 ILE 49 -1.906 6.604 -1.148 356 2HD1 ILE 49 2HD1 ILE 49 -2.748 5.634 0.104 357 3HD1 ILE 49 3HD1 ILE 49 -2.603 5.006 -1.583 358 H ILE 50 H ILE 50 -2.645 0.839 1.669 359 HA ILE 50 HA ILE 50 -0.169 -0.138 2.818 360 HB ILE 50 HB ILE 50 -1.479 0.072 4.633 361 1HG1 ILE 50 2HG1 ILE 50 -2.203 -2.293 5.233 362 2HG1 ILE 50 1HG1 ILE 50 -1.942 -2.733 3.517 363 1HG2 ILE 50 1HG2 ILE 50 -3.900 -0.723 4.749 364 2HG2 ILE 50 2HG2 ILE 50 -3.848 -0.974 2.966 365 3HG2 ILE 50 3HG2 ILE 50 -3.669 0.683 3.657 366 1HD1 ILE 50 1HD1 ILE 50 0.091 -3.356 4.844 367 2HD1 ILE 50 2HD1 ILE 50 0.140 -1.713 5.577 368 3HD1 ILE 50 3HD1 ILE 50 0.549 -1.921 3.851 369 H ILE 51 H ILE 51 0.754 -1.445 1.606 370 HA ILE 51 HA ILE 51 -0.765 -3.231 -0.161 371 HB ILE 51 HB ILE 51 2.009 -2.190 -0.698 372 1HG1 ILE 51 2HG1 ILE 51 -0.782 -1.080 -1.269 373 2HG1 ILE 51 1HG1 ILE 51 0.639 -0.239 -0.602 374 1HG2 ILE 51 1HG2 ILE 51 -0.180 -3.467 -2.468 375 2HG2 ILE 51 2HG2 ILE 51 1.150 -4.425 -1.732 376 3HG2 ILE 51 3HG2 ILE 51 1.528 -3.137 -2.919 377 1HD1 ILE 51 1HD1 ILE 51 0.257 -1.313 -3.459 378 2HD1 ILE 51 2HD1 ILE 51 1.819 -0.612 -2.862 379 3HD1 ILE 51 3HD1 ILE 51 0.327 0.430 -2.968 380 H ASN 52 H ASN 52 -0.875 -4.873 1.007 381 HA ASN 52 HA ASN 52 1.543 -6.310 1.878 382 1HB ASN 52 2HB ASN 52 -1.363 -7.160 2.314 383 2HB ASN 52 1HB ASN 52 0.105 -7.960 2.998 384 1HD2 ASN 52 1HD2 ASN 52 1.415 -6.628 4.585 385 2HD2 ASN 52 2HD2 ASN 52 0.528 -5.529 5.610 386 H ARG 53 H ARG 53 1.904 -8.412 1.084 387 HA ARG 53 HA ARG 53 0.617 -9.080 -1.458 388 1HB ARG 53 2HB ARG 53 1.929 -7.194 -2.033 389 2HB ARG 53 1HB ARG 53 3.248 -7.657 -1.000 390 1HG ARG 53 2HG ARG 53 2.440 -9.436 -3.397 391 2HG ARG 53 1HG ARG 53 3.295 -7.911 -3.719 392 1HD ARG 53 2HD ARG 53 4.408 -10.135 -1.895 393 2HD ARG 53 1HD ARG 53 4.804 -9.947 -3.651 394 HE ARG 53 HE ARG 53 5.316 -7.405 -2.658 395 1HH1 ARG 53 1HH1 ARG 53 6.400 -10.467 -1.187 396 2HH1 ARG 53 2HH1 ARG 53 8.003 -9.910 -1.083 397 1HH2 ARG 53 1HH2 ARG 53 7.562 -6.774 -2.409 398 2HH2 ARG 53 2HH2 ARG 53 8.707 -8.027 -2.069 399 H GLN 54 H GLN 54 0.812 -10.939 -2.173 400 HA GLN 54 HA GLN 54 2.347 -12.921 -0.682 401 1HB GLN 54 2HB GLN 54 0.656 -14.484 -1.856 402 2HB GLN 54 1HB GLN 54 0.094 -13.547 -0.449 403 1HG GLN 54 2HG GLN 54 -0.335 -12.539 -3.324 404 2HG GLN 54 1HG GLN 54 -1.433 -13.731 -2.575 405 1HE2 GLN 54 1HE2 GLN 54 -2.430 -13.127 -0.418 406 2HE2 GLN 54 2HE2 GLN 54 -2.871 -11.456 -0.213 407 H GLU 55 H GLU 55 3.939 -13.796 -1.666 408 HA GLU 55 HA GLU 55 4.528 -13.525 -4.405 409 1HB GLU 55 2HB GLU 55 5.574 -15.639 -2.490 410 2HB GLU 55 1HB GLU 55 6.252 -15.240 -4.098 411 1HG GLU 55 2HG GLU 55 6.872 -12.951 -3.295 412 2HG GLU 55 1HG GLU 55 6.119 -13.304 -1.696 413 HA PRO 56 HA PRO 56 2.669 -17.566 -5.518 414 1HB PRO 56 2HB PRO 56 1.124 -19.106 -3.847 415 2HB PRO 56 1HB PRO 56 2.925 -19.127 -3.764 416 1HG PRO 56 2HG PRO 56 1.026 -17.418 -2.037 417 2HG PRO 56 1HG PRO 56 2.301 -18.587 -1.465 418 1HD PRO 56 2HD PRO 56 2.847 -15.908 -1.753 419 2HD PRO 56 1HD PRO 56 4.081 -17.164 -2.237 420 H LEU 57 H LEU 57 0.179 -18.468 -5.677 421 HA LEU 57 HA LEU 57 -1.881 -18.155 -6.051 422 1HB LEU 57 2HB LEU 57 -1.948 -15.541 -4.525 423 2HB LEU 57 1HB LEU 57 -3.344 -16.575 -4.986 424 HG LEU 57 HG LEU 57 -1.011 -17.348 -3.212 425 1HD1 LEU 57 1HD1 LEU 57 -2.436 -15.594 -2.142 426 2HD1 LEU 57 2HD1 LEU 57 -2.629 -17.158 -1.276 427 3HD1 LEU 57 3HD1 LEU 57 -3.909 -16.597 -2.416 428 1HD2 LEU 57 1HD2 LEU 57 -1.997 -19.405 -4.214 429 2HD2 LEU 57 2HD2 LEU 57 -3.658 -18.869 -3.745 430 3HD2 LEU 57 3HD2 LEU 57 -2.459 -19.318 -2.479 431 H HIS 58 H HIS 58 -0.196 -15.226 -6.360 432 HA HIS 58 HA HIS 58 0.500 -14.158 -8.196 433 1HB HIS 58 2HB HIS 58 -1.660 -15.397 -9.933 434 2HB HIS 58 1HB HIS 58 -0.264 -14.403 -10.460 435 HD1 HIS 58 1HD HIS 58 0.621 -16.242 -11.963 436 HD2 HIS 58 2HD HIS 58 0.434 -17.394 -7.947 437 HE1 HIS 58 1HE HIS 58 1.723 -18.497 -11.790 438 H GLN 59 H GLN 59 -1.036 -12.792 -6.333 439 HA GLN 59 HA GLN 59 -2.136 -10.770 -7.980 440 1HB GLN 59 2HB GLN 59 -4.203 -10.531 -6.489 441 2HB GLN 59 1HB GLN 59 -4.172 -11.755 -7.769 442 1HG GLN 59 2HG GLN 59 -5.232 -12.878 -6.098 443 2HG GLN 59 1HG GLN 59 -3.574 -13.525 -5.957 444 1HE2 GLN 59 1HE2 GLN 59 -4.848 -14.150 -3.875 445 2HE2 GLN 59 2HE2 GLN 59 -4.566 -13.079 -2.526 446 H VAL 60 H VAL 60 -2.359 -8.766 -6.637 447 HA VAL 60 HA VAL 60 -0.929 -9.023 -4.063 448 HB VAL 60 HB VAL 60 -0.704 -6.836 -6.150 449 1HG1 VAL 60 1HG1 VAL 60 0.374 -7.076 -3.266 450 2HG1 VAL 60 2HG1 VAL 60 -0.576 -5.721 -3.964 451 3HG1 VAL 60 3HG1 VAL 60 1.115 -5.972 -4.501 452 1HG2 VAL 60 1HG2 VAL 60 0.669 -8.737 -6.787 453 2HG2 VAL 60 2HG2 VAL 60 1.234 -8.973 -5.091 454 3HG2 VAL 60 3HG2 VAL 60 1.756 -7.515 -6.028 455 H TRP 61 H TRP 61 -1.699 -7.468 -2.365 456 HA TRP 61 HA TRP 61 -4.489 -6.826 -2.843 457 1HB TRP 61 2HB TRP 61 -4.763 -7.628 -0.819 458 2HB TRP 61 1HB TRP 61 -3.007 -7.846 -0.651 459 HD1 TRP 61 HD TRP 61 -1.894 -5.127 -0.201 460 HE1 TRP 61 1HE TRP 61 -2.742 -3.407 1.542 461 HE3 TRP 61 3HE TRP 61 -6.295 -7.287 1.002 462 HZ2 TRP 61 2HZ TRP 61 -4.680 -3.396 3.623 463 HZ3 TRP 61 3HZ TRP 61 -7.596 -6.401 2.879 464 HH2 TRP 61 HH TRP 61 -6.799 -4.499 4.174 465 H LEU 62 H LEU 62 -5.379 -4.602 -2.517 466 HA LEU 62 HA LEU 62 -3.300 -2.581 -2.211 467 1HB LEU 62 2HB LEU 62 -3.819 -3.362 -4.617 468 2HB LEU 62 1HB LEU 62 -5.472 -2.743 -4.392 469 HG LEU 62 HG LEU 62 -4.059 -1.385 -5.741 470 1HD1 LEU 62 1HD1 LEU 62 -5.834 -0.221 -4.351 471 2HD1 LEU 62 2HD1 LEU 62 -4.477 0.868 -4.811 472 3HD1 LEU 62 3HD1 LEU 62 -4.576 0.208 -3.133 473 1HD2 LEU 62 1HD2 LEU 62 -1.826 -1.885 -4.677 474 2HD2 LEU 62 2HD2 LEU 62 -2.260 -0.835 -3.277 475 3HD2 LEU 62 3HD2 LEU 62 -2.068 -0.112 -4.913 476 H ALA 63 H ALA 63 -4.115 -1.772 -0.215 477 HA ALA 63 HA ALA 63 -6.797 -0.590 -0.536 478 1HB ALA 63 1HB ALA 63 -7.137 -0.853 1.894 479 2HB ALA 63 2HB ALA 63 -5.506 -1.619 2.039 480 3HB ALA 63 3HB ALA 63 -6.797 -2.450 1.128 481 H THR 64 H THR 64 -7.091 1.495 -0.293 482 HA THR 64 HA THR 64 -5.219 2.969 1.366 483 HB THR 64 HB THR 64 -4.190 3.733 -0.401 484 HG1 THR 64 1HG THR 64 -5.050 5.632 0.186 485 1HG2 THR 64 1HG2 THR 64 -6.731 3.289 -2.082 486 2HG2 THR 64 2HG2 THR 64 -5.202 2.320 -2.114 487 3HG2 THR 64 3HG2 THR 64 -5.206 4.025 -2.677 488 H LYS 65 H LYS 65 -8.073 3.963 -0.562 489 HA LYS 65 HA LYS 65 -9.026 5.154 1.861 490 1HB LYS 65 2HB LYS 65 -9.055 6.142 -0.465 491 2HB LYS 65 1HB LYS 65 -10.639 5.341 -0.639 492 1HG LYS 65 2HG LYS 65 -9.715 7.161 1.682 493 2HG LYS 65 1HG LYS 65 -10.596 7.742 0.253 494 1HD LYS 65 2HD LYS 65 -12.598 6.529 0.800 495 2HD LYS 65 1HD LYS 65 -11.820 5.617 2.120 496 1HE LYS 65 2HE LYS 65 -12.292 8.661 2.160 497 2HE LYS 65 1HE LYS 65 -13.297 7.407 2.984 498 1HZ LYS 65 1HZ LYS 65 -10.405 7.941 3.524 499 2HZ LYS 65 2HZ LYS 65 -11.346 6.766 4.288 500 3HZ LYS 65 3HZ LYS 65 -11.699 8.417 4.449 501 H GLN 66 H GLN 66 -11.105 3.274 -0.407 502 HA GLN 66 HA GLN 66 -12.164 1.907 2.000 503 1HB GLN 66 2HB GLN 66 -13.522 3.934 1.290 504 2HB GLN 66 1HB GLN 66 -13.771 3.151 -0.292 505 1HG GLN 66 2HG GLN 66 -14.928 1.201 0.954 506 2HG GLN 66 1HG GLN 66 -14.690 2.117 2.483 507 1HE2 GLN 66 1HE2 GLN 66 -16.115 2.394 -0.839 508 2HE2 GLN 66 2HE2 GLN 66 -17.477 3.348 -0.330 509 H GLY 67 H GLY 67 -11.427 1.894 -1.428 510 1HA GLY 67 2HA GLY 67 -12.512 -0.767 -1.781 511 2HA GLY 67 1HA GLY 67 -11.754 0.327 -2.993 512 H GLY 68 H GLY 68 -10.922 -1.369 -0.010 513 1HA GLY 68 2HA GLY 68 -8.291 -2.031 -0.939 514 2HA GLY 68 1HA GLY 68 -9.101 -2.727 0.493 515 H TYR 69 H TYR 69 -8.310 -3.154 -2.848 516 HA TYR 69 HA TYR 69 -9.747 -5.723 -2.891 517 1HB TYR 69 2HB TYR 69 -9.135 -3.795 -5.211 518 2HB TYR 69 1HB TYR 69 -10.116 -5.304 -5.301 519 HD1 TYR 69 1HD TYR 69 -10.674 -2.399 -6.108 520 HD2 TYR 69 2HD TYR 69 -11.804 -4.710 -2.726 521 HE1 TYR 69 1HE TYR 69 -12.681 -1.061 -5.874 522 HE2 TYR 69 2HE TYR 69 -13.771 -3.322 -2.423 523 HH TYR 69 HH TYR 69 -14.471 -0.605 -4.631 524 H HIS 70 H HIS 70 -8.595 -7.427 -4.044 525 HA HIS 70 HA HIS 70 -5.782 -6.734 -4.522 526 1HB HIS 70 2HB HIS 70 -5.466 -9.240 -4.793 527 2HB HIS 70 1HB HIS 70 -5.913 -8.694 -3.155 528 HD1 HIS 70 1HD HIS 70 -7.611 -10.277 -6.191 529 HD2 HIS 70 2HD HIS 70 -7.929 -10.130 -2.015 530 HE1 HIS 70 1HE HIS 70 -9.579 -11.714 -5.552 531 H PHE 71 H PHE 71 -4.699 -7.528 -6.384 532 HA PHE 71 HA PHE 71 -6.440 -6.972 -8.671 533 1HB PHE 71 2HB PHE 71 -5.000 -5.234 -9.388 534 2HB PHE 71 1HB PHE 71 -5.561 -4.960 -7.681 535 HD1 PHE 71 1HD PHE 71 -2.776 -5.138 -9.872 536 HD2 PHE 71 2HD PHE 71 -4.013 -5.158 -5.829 537 HE1 PHE 71 1HE PHE 71 -0.520 -4.470 -9.205 538 HE2 PHE 71 2HE PHE 71 -1.798 -4.367 -5.145 539 HZ PHE 71 HZ PHE 71 -0.025 -4.077 -6.823 540 H ASP 72 H ASP 72 -5.959 -7.561 -10.678 541 HA ASP 72 HA ASP 72 -3.863 -9.595 -10.967 542 1HB ASP 72 2HB ASP 72 -6.670 -9.609 -12.239 543 2HB ASP 72 1HB ASP 72 -5.355 -10.808 -12.536 544 H LEU 73 H LEU 73 -3.093 -9.859 -13.113 545 HA LEU 73 HA LEU 73 -2.873 -7.343 -14.566 546 1HB LEU 73 2HB LEU 73 -0.889 -8.674 -13.911 547 2HB LEU 73 1HB LEU 73 -1.548 -10.087 -14.772 548 HG LEU 73 HG LEU 73 -1.328 -8.871 -16.948 549 1HD1 LEU 73 1HD1 LEU 73 0.062 -6.698 -15.251 550 2HD1 LEU 73 2HD1 LEU 73 -1.479 -6.485 -16.163 551 3HD1 LEU 73 3HD1 LEU 73 0.056 -6.783 -17.054 552 1HD2 LEU 73 1HD2 LEU 73 1.248 -9.010 -15.263 553 2HD2 LEU 73 2HD2 LEU 73 1.152 -9.011 -17.065 554 3HD2 LEU 73 3HD2 LEU 73 0.463 -10.387 -16.125 555 H LYS 74 H LYS 74 -3.790 -6.891 -16.493 556 HA LYS 74 HA LYS 74 -4.909 -9.143 -18.019 557 1HB LYS 74 2HB LYS 74 -5.352 -6.132 -18.273 558 2HB LYS 74 1HB LYS 74 -6.008 -7.359 -19.402 559 1HG LYS 74 2HG LYS 74 -6.575 -7.226 -16.392 560 2HG LYS 74 1HG LYS 74 -7.625 -6.497 -17.629 561 1HD LYS 74 2HD LYS 74 -7.026 -9.444 -18.025 562 2HD LYS 74 1HD LYS 74 -7.889 -9.017 -16.529 563 1HE LYS 74 2HE LYS 74 -9.506 -9.594 -18.268 564 2HE LYS 74 1HE LYS 74 -9.680 -7.851 -17.821 565 1HZ LYS 74 1HZ LYS 74 -9.737 -8.324 -20.207 566 2HZ LYS 74 2HZ LYS 74 -8.105 -8.823 -20.163 567 3HZ LYS 74 3HZ LYS 74 -8.533 -7.230 -19.792 568 H GLY 75 H GLY 75 -3.367 -6.047 -18.962 569 1HA GLY 75 2HA GLY 75 -1.289 -7.588 -20.312 570 2HA GLY 75 1HA GLY 75 -2.407 -6.572 -21.292 571 H ASP 76 H ASP 76 -2.402 -4.264 -20.887 572 HA ASP 76 HA ASP 76 -0.026 -3.258 -19.465 573 1HB ASP 76 2HB ASP 76 -1.710 -2.002 -21.710 574 2HB ASP 76 1HB ASP 76 -0.284 -1.232 -20.915 575 H GLU 77 H GLU 77 -2.214 -4.087 -17.927 576 HA GLU 77 HA GLU 77 -2.942 -1.817 -16.517 577 1HB GLU 77 2HB GLU 77 -4.558 -1.708 -18.633 578 2HB GLU 77 1HB GLU 77 -5.354 -3.098 -17.875 579 1HG GLU 77 2HG GLU 77 -6.541 -1.107 -17.189 580 2HG GLU 77 1HG GLU 77 -5.622 -1.622 -15.734 581 H TRP 78 H TRP 78 -3.396 -2.570 -14.498 582 HA TRP 78 HA TRP 78 -4.067 -5.433 -14.279 583 1HB TRP 78 2HB TRP 78 -2.979 -3.494 -12.169 584 2HB TRP 78 1HB TRP 78 -3.580 -5.154 -11.860 585 HD1 TRP 78 HD TRP 78 -0.715 -3.452 -13.983 586 HE1 TRP 78 1HE TRP 78 1.449 -4.771 -13.465 587 HE3 TRP 78 3HE TRP 78 -2.676 -7.036 -10.984 588 HZ2 TRP 78 2HZ TRP 78 2.197 -6.949 -11.871 589 HZ3 TRP 78 3HZ TRP 78 -1.186 -8.615 -9.889 590 HH2 TRP 78 HH TRP 78 1.208 -8.556 -10.278 591 H ILE 79 H ILE 79 -6.098 -5.908 -13.305 592 HA ILE 79 HA ILE 79 -7.825 -3.571 -12.942 593 HB ILE 79 HB ILE 79 -9.687 -4.929 -13.341 594 1HG1 ILE 79 2HG1 ILE 79 -7.754 -7.276 -13.412 595 2HG1 ILE 79 1HG1 ILE 79 -9.097 -7.009 -12.275 596 1HG2 ILE 79 1HG2 ILE 79 -9.335 -5.377 -15.733 597 2HG2 ILE 79 2HG2 ILE 79 -7.547 -5.469 -15.494 598 3HG2 ILE 79 3HG2 ILE 79 -8.409 -3.912 -15.258 599 1HD1 ILE 79 1HD1 ILE 79 -10.776 -7.232 -14.105 600 2HD1 ILE 79 2HD1 ILE 79 -9.767 -8.709 -13.904 601 3HD1 ILE 79 3HD1 ILE 79 -9.457 -7.590 -15.281 602 H CYS 80 H CYS 80 -9.344 -3.717 -11.133 603 HA CYS 80 HA CYS 80 -8.227 -5.125 -8.893 604 1HB CYS 80 2HB CYS 80 -10.903 -3.647 -9.119 605 2HB CYS 80 1HB CYS 80 -10.100 -4.146 -7.614 606 HG CYS 80 HG CYS 80 -7.960 -2.640 -7.948 607 H ASP 81 H ASP 81 -9.045 -7.225 -8.193 608 HA ASP 81 HA ASP 81 -10.594 -8.693 -9.963 609 1HB ASP 81 2HB ASP 81 -8.907 -9.645 -8.471 610 2HB ASP 81 1HB ASP 81 -9.797 -9.069 -7.018 611 H ARG 82 H ARG 82 -11.366 -7.104 -6.940 612 HA ARG 82 HA ARG 82 -13.962 -8.060 -6.615 613 1HB ARG 82 2HB ARG 82 -12.265 -7.112 -4.950 614 2HB ARG 82 1HB ARG 82 -12.630 -5.494 -5.602 615 1HG ARG 82 2HG ARG 82 -13.720 -5.879 -3.479 616 2HG ARG 82 1HG ARG 82 -14.966 -5.679 -4.743 617 1HD ARG 82 2HD ARG 82 -15.337 -8.212 -4.723 618 2HD ARG 82 1HD ARG 82 -13.981 -8.372 -3.545 619 HE ARG 82 HE ARG 82 -15.309 -7.291 -1.855 620 1HH1 ARG 82 1HH1 ARG 82 -17.289 -7.344 -4.828 621 2HH1 ARG 82 2HH1 ARG 82 -18.460 -6.273 -4.118 622 1HH2 ARG 82 1HH2 ARG 82 -16.810 -6.093 -1.010 623 2HH2 ARG 82 2HH2 ARG 82 -18.189 -5.513 -1.903 624 H SER 83 H SER 83 -15.402 -7.792 -8.170 625 HA SER 83 HA SER 83 -16.911 -6.945 -9.409 626 1HB SER 83 2HB SER 83 -16.004 -4.081 -8.967 627 2HB SER 83 1HB SER 83 -17.504 -4.637 -9.780 628 HG SER 83 HG SER 83 -16.949 -4.335 -7.180 629 H GLY 84 H GLY 84 -13.693 -5.582 -9.981 630 1HA GLY 84 2HA GLY 84 -12.621 -6.130 -12.031 631 2HA GLY 84 1HA GLY 84 -14.196 -5.962 -12.869 632 H GLU 85 H GLU 85 -11.544 -4.218 -11.353 633 HA GLU 85 HA GLU 85 -12.666 -1.734 -12.482 634 1HB GLU 85 2HB GLU 85 -11.549 -1.665 -9.681 635 2HB GLU 85 1HB GLU 85 -12.268 -0.355 -10.669 636 1HG GLU 85 2HG GLU 85 -14.423 -1.840 -10.727 637 2HG GLU 85 1HG GLU 85 -13.670 -2.750 -9.376 638 H THR 86 H THR 86 -10.113 -0.459 -11.031 639 HA THR 86 HA THR 86 -8.273 -1.375 -13.096 640 HB THR 86 HB THR 86 -9.169 1.538 -12.755 641 HG1 THR 86 1HG THR 86 -10.711 0.908 -13.983 642 1HG2 THR 86 1HG2 THR 86 -7.391 0.103 -14.869 643 2HG2 THR 86 2HG2 THR 86 -6.791 1.262 -13.630 644 3HG2 THR 86 3HG2 THR 86 -7.889 1.833 -14.928 645 H PHE 87 H PHE 87 -6.145 -1.297 -12.396 646 HA PHE 87 HA PHE 87 -5.764 -0.941 -9.739 647 1HB PHE 87 2HB PHE 87 -4.522 -2.463 -11.058 648 2HB PHE 87 1HB PHE 87 -3.952 -1.171 -12.162 649 HD1 PHE 87 1HD PHE 87 -1.715 -1.231 -12.062 650 HD2 PHE 87 2HD PHE 87 -3.858 -1.445 -8.388 651 HE1 PHE 87 1HE PHE 87 0.387 -1.105 -10.835 652 HE2 PHE 87 2HE PHE 87 -1.756 -1.295 -7.160 653 HZ PHE 87 HZ PHE 87 0.383 -1.171 -8.385 654 H TRP 88 H TRP 88 -3.671 1.051 -11.905 655 HA TRP 88 HA TRP 88 -3.097 2.650 -9.781 656 1HB TRP 88 2HB TRP 88 -2.441 4.025 -12.292 657 2HB TRP 88 1HB TRP 88 -1.496 3.450 -10.957 658 HD1 TRP 88 HD TRP 88 -3.230 1.371 -13.851 659 HE1 TRP 88 1HE TRP 88 -1.346 0.078 -15.023 660 HE3 TRP 88 3HE TRP 88 0.689 2.947 -11.026 661 HZ2 TRP 88 2HZ TRP 88 1.412 -0.360 -14.654 662 HZ3 TRP 88 3HZ TRP 88 2.916 2.097 -11.525 663 HH2 TRP 88 HH TRP 88 3.279 0.465 -13.300 664 H ASP 89 H ASP 89 -5.368 3.082 -12.324 665 HA ASP 89 HA ASP 89 -6.171 5.701 -11.823 666 1HB ASP 89 2HB ASP 89 -6.685 4.322 -13.868 667 2HB ASP 89 1HB ASP 89 -7.832 3.346 -12.872 668 H LEU 90 H LEU 90 -7.584 2.687 -10.301 669 HA LEU 90 HA LEU 90 -9.421 4.229 -8.908 670 1HB LEU 90 2HB LEU 90 -9.705 1.818 -9.346 671 2HB LEU 90 1HB LEU 90 -8.331 1.451 -8.282 672 HG LEU 90 HG LEU 90 -9.505 2.444 -6.352 673 1HD1 LEU 90 1HD1 LEU 90 -11.929 2.705 -8.260 674 2HD1 LEU 90 2HD1 LEU 90 -11.061 4.066 -7.451 675 3HD1 LEU 90 3HD1 LEU 90 -11.998 2.885 -6.470 676 1HD2 LEU 90 1HD2 LEU 90 -11.158 0.262 -7.779 677 2HD2 LEU 90 2HD2 LEU 90 -11.136 0.608 -6.007 678 3HD2 LEU 90 3HD2 LEU 90 -9.648 -0.002 -6.824 679 H LEU 91 H LEU 91 -6.311 2.849 -8.103 680 HA LEU 91 HA LEU 91 -5.823 3.792 -5.566 681 1HB LEU 91 2HB LEU 91 -4.314 2.273 -6.693 682 2HB LEU 91 1HB LEU 91 -4.033 3.451 -7.997 683 HG LEU 91 HG LEU 91 -2.824 4.956 -6.374 684 1HD1 LEU 91 1HD1 LEU 91 -3.043 2.536 -4.466 685 2HD1 LEU 91 2HD1 LEU 91 -3.756 4.178 -4.212 686 3HD1 LEU 91 3HD1 LEU 91 -1.969 3.964 -4.240 687 1HD2 LEU 91 1HD2 LEU 91 -1.779 2.100 -6.803 688 2HD2 LEU 91 2HD2 LEU 91 -0.762 3.536 -6.350 689 3HD2 LEU 91 3HD2 LEU 91 -1.626 3.494 -7.931 690 H GLU 92 H GLU 92 -5.324 5.626 -8.620 691 HA GLU 92 HA GLU 92 -4.511 7.972 -7.424 692 1HB GLU 92 2HB GLU 92 -4.304 7.437 -9.816 693 2HB GLU 92 1HB GLU 92 -6.056 7.629 -10.042 694 1HG GLU 92 2HG GLU 92 -4.605 9.968 -8.725 695 2HG GLU 92 1HG GLU 92 -4.118 9.591 -10.407 696 H GLN 93 H GLN 93 -7.941 7.034 -8.283 697 HA GLN 93 HA GLN 93 -9.106 9.299 -7.301 698 1HB GLN 93 2HB GLN 93 -9.999 6.375 -7.346 699 2HB GLN 93 1HB GLN 93 -11.076 7.737 -6.922 700 1HG GLN 93 2HG GLN 93 -10.779 8.744 -9.176 701 2HG GLN 93 1HG GLN 93 -9.624 7.449 -9.629 702 1HE2 GLN 93 1HE2 GLN 93 -12.989 7.711 -8.219 703 2HE2 GLN 93 2HE2 GLN 93 -13.614 6.365 -9.117 704 H ALA 94 H ALA 94 -8.229 6.357 -5.465 705 HA ALA 94 HA ALA 94 -9.221 7.191 -3.001 706 1HB ALA 94 1HB ALA 94 -6.938 5.294 -3.750 707 2HB ALA 94 2HB ALA 94 -8.677 4.859 -3.599 708 3HB ALA 94 3HB ALA 94 -7.744 5.372 -2.140 709 H ALA 95 H ALA 95 -5.906 7.562 -4.368 710 HA ALA 95 HA ALA 95 -4.900 8.804 -2.057 711 1HB ALA 95 1HB ALA 95 -2.922 9.237 -3.485 712 2HB ALA 95 2HB ALA 95 -3.905 8.873 -4.962 713 3HB ALA 95 3HB ALA 95 -3.556 7.574 -3.770 714 H THR 96 H THR 96 -6.020 10.162 -5.173 715 HA THR 96 HA THR 96 -5.634 12.807 -4.663 716 HB THR 96 HB THR 96 -7.692 11.366 -6.359 717 HG1 THR 96 1HG THR 96 -6.211 11.586 -7.892 718 1HG2 THR 96 1HG2 THR 96 -6.790 14.334 -6.389 719 2HG2 THR 96 2HG2 THR 96 -8.463 13.729 -6.065 720 3HG2 THR 96 3HG2 THR 96 -7.736 13.527 -7.693 721 H GLN 97 H GLN 97 -8.154 10.701 -3.598 722 HA GLN 97 HA GLN 97 -9.903 12.649 -2.495 723 1HB GLN 97 2HB GLN 97 -10.489 10.303 -2.871 724 2HB GLN 97 1HB GLN 97 -9.311 9.735 -1.679 725 1HG GLN 97 2HG GLN 97 -11.833 11.317 -1.175 726 2HG GLN 97 1HG GLN 97 -11.552 9.536 -0.842 727 1HE2 GLN 97 1HE2 GLN 97 -11.496 12.737 0.538 728 2HE2 GLN 97 2HE2 GLN 97 -10.949 12.184 2.105 729 H GLN 98 H GLN 98 -7.953 10.399 -0.713 730 HA GLN 98 HA GLN 98 -8.042 11.873 1.592 731 1HB GLN 98 2HB GLN 98 -6.808 10.153 2.667 732 2HB GLN 98 1HB GLN 98 -7.920 9.444 1.464 733 1HG GLN 98 2HG GLN 98 -5.993 9.201 -0.169 734 2HG GLN 98 1HG GLN 98 -4.902 9.859 1.092 735 1HE2 GLN 98 1HE2 GLN 98 -7.310 7.878 2.634 736 2HE2 GLN 98 2HE2 GLN 98 -6.391 6.392 2.605 737 H ALA 99 H ALA 99 -5.666 12.352 -0.861 738 HA ALA 99 HA ALA 99 -4.061 13.990 0.923 739 1HB ALA 99 1HB ALA 99 -2.999 12.727 -0.981 740 2HB ALA 99 2HB ALA 99 -2.779 14.504 -1.147 741 3HB ALA 99 3HB ALA 99 -4.014 13.634 -2.139 742 H GLY 100 H GLY 100 -6.384 14.429 -1.796 743 1HA GLY 100 2HA GLY 100 -7.899 16.151 -1.784 744 2HA GLY 100 1HA GLY 100 -6.730 17.217 -0.946 745 H GLU 101 H GLU 101 -5.224 15.435 -3.407 746 HA GLU 101 HA GLU 101 -5.791 17.107 -5.588 747 1HB GLU 101 2HB GLU 101 -3.569 18.204 -5.779 748 2HB GLU 101 1HB GLU 101 -4.457 18.770 -4.340 749 1HG GLU 101 2HG GLU 101 -3.087 17.321 -2.859 750 2HG GLU 101 1HG GLU 101 -2.237 16.623 -4.281 751 H THR 102 H THR 102 -4.121 16.453 -7.420 752 HA THR 102 HA THR 102 -4.202 13.646 -7.293 753 HB THR 102 HB THR 102 -2.960 15.342 -9.443 754 HG1 THR 102 1HG THR 102 -5.346 13.846 -9.310 755 1HG2 THR 102 1HG2 THR 102 -2.011 13.006 -9.574 756 2HG2 THR 102 2HG2 THR 102 -3.244 13.226 -10.839 757 3HG2 THR 102 3HG2 THR 102 -3.648 12.309 -9.353 758 H VAL 103 H VAL 103 -2.942 12.229 -6.604 759 HA VAL 103 HA VAL 103 -0.190 12.812 -5.909 760 HB VAL 103 HB VAL 103 -2.175 10.610 -5.268 761 1HG1 VAL 103 1HG1 VAL 103 -0.435 9.818 -3.618 762 2HG1 VAL 103 2HG1 VAL 103 0.736 11.034 -4.252 763 3HG1 VAL 103 3HG1 VAL 103 0.177 9.664 -5.286 764 1HG2 VAL 103 1HG2 VAL 103 -2.019 11.566 -2.950 765 2HG2 VAL 103 2HG2 VAL 103 -2.706 12.738 -4.125 766 3HG2 VAL 103 3HG2 VAL 103 -0.989 12.904 -3.585 767 H SER 104 H SER 104 1.316 12.192 -7.140 768 HA SER 104 HA SER 104 1.026 11.013 -9.614 769 1HB SER 104 2HB SER 104 3.587 11.455 -7.995 770 2HB SER 104 1HB SER 104 3.498 11.203 -9.776 771 HG SER 104 HG SER 104 2.965 13.175 -10.002 772 H PHE 105 H PHE 105 1.134 8.884 -10.427 773 HA PHE 105 HA PHE 105 1.893 6.863 -8.502 774 1HB PHE 105 2HB PHE 105 -0.388 5.953 -8.760 775 2HB PHE 105 1HB PHE 105 -0.378 7.640 -8.143 776 HD1 PHE 105 1HD PHE 105 -0.670 9.548 -10.030 777 HD2 PHE 105 2HD PHE 105 -1.805 5.487 -10.396 778 HE1 PHE 105 1HE PHE 105 -1.805 10.086 -12.080 779 HE2 PHE 105 2HE PHE 105 -3.124 6.048 -12.414 780 HZ PHE 105 HZ PHE 105 -3.100 8.346 -13.282 781 H ARG 106 H ARG 106 0.688 7.417 -11.881 782 HA ARG 106 HA ARG 106 1.886 4.896 -12.645 783 1HB ARG 106 2HB ARG 106 -0.551 5.336 -12.898 784 2HB ARG 106 1HB ARG 106 -0.181 6.804 -13.860 785 1HG ARG 106 2HG ARG 106 0.953 5.359 -15.541 786 2HG ARG 106 1HG ARG 106 0.443 3.882 -14.613 787 1HD ARG 106 2HD ARG 106 -1.987 4.846 -14.834 788 2HD ARG 106 1HD ARG 106 -1.332 5.915 -16.135 789 HE ARG 106 HE ARG 106 -0.401 3.544 -17.061 790 1HH1 ARG 106 1HH1 ARG 106 -3.652 3.972 -15.533 791 2HH1 ARG 106 2HH1 ARG 106 -4.035 2.310 -15.965 792 1HH2 ARG 106 1HH2 ARG 106 -1.241 1.710 -17.917 793 2HH2 ARG 106 2HH2 ARG 106 -2.920 1.276 -17.604 Start of MODEL 3 1 HA MET 1 HA MET 1 7.769 -19.183 -12.897 2 1HB MET 1 2HB MET 1 5.444 -21.162 -12.663 3 2HB MET 1 1HB MET 1 5.346 -19.581 -13.511 4 1HG MET 1 2HG MET 1 7.266 -20.321 -14.983 5 2HG MET 1 1HG MET 1 7.167 -21.941 -14.246 6 1HE MET 1 1HE MET 1 3.810 -23.405 -15.399 7 2HE MET 1 2HE MET 1 4.045 -22.515 -13.861 8 3HE MET 1 3HE MET 1 5.338 -23.599 -14.482 9 H ASN 2 H ASN 2 4.977 -20.183 -10.951 10 HA ASN 2 HA ASN 2 4.001 -17.911 -10.628 11 1HB ASN 2 2HB ASN 2 3.985 -20.139 -8.536 12 2HB ASN 2 1HB ASN 2 2.844 -18.747 -8.518 13 1HD2 ASN 2 1HD2 ASN 2 0.927 -19.756 -8.990 14 2HD2 ASN 2 2HD2 ASN 2 0.639 -20.665 -10.448 15 H ASP 3 H ASP 3 5.838 -18.920 -7.648 16 HA ASP 3 HA ASP 3 5.473 -16.341 -6.620 17 1HB ASP 3 2HB ASP 3 6.811 -17.204 -4.718 18 2HB ASP 3 1HB ASP 3 5.494 -18.322 -5.195 19 H SER 4 H SER 4 7.949 -17.740 -8.596 20 HA SER 4 HA SER 4 9.973 -15.851 -7.954 21 1HB SER 4 2HB SER 4 9.709 -17.586 -10.466 22 2HB SER 4 1HB SER 4 11.163 -16.683 -9.924 23 HG SER 4 HG SER 4 11.510 -18.579 -9.089 24 H GLU 5 H GLU 5 7.733 -16.268 -10.707 25 HA GLU 5 HA GLU 5 8.283 -13.897 -12.024 26 1HB GLU 5 2HB GLU 5 5.811 -15.687 -11.870 27 2HB GLU 5 1HB GLU 5 5.921 -14.298 -12.991 28 1HG GLU 5 2HG GLU 5 7.937 -16.641 -12.964 29 2HG GLU 5 1HG GLU 5 6.507 -16.537 -14.054 30 H PHE 6 H PHE 6 5.551 -14.550 -9.694 31 HA PHE 6 HA PHE 6 4.722 -12.002 -9.634 32 1HB PHE 6 2HB PHE 6 3.587 -14.080 -8.760 33 2HB PHE 6 1HB PHE 6 4.695 -14.046 -7.347 34 HD1 PHE 6 1HD PHE 6 3.141 -13.719 -5.691 35 HD2 PHE 6 2HD PHE 6 2.976 -11.137 -9.069 36 HE1 PHE 6 1HE PHE 6 1.572 -12.246 -4.506 37 HE2 PHE 6 2HE PHE 6 1.468 -9.660 -7.883 38 HZ PHE 6 HZ PHE 6 0.786 -10.188 -5.572 39 H HIS 7 H HIS 7 7.466 -13.334 -7.689 40 HA HIS 7 HA HIS 7 7.640 -10.870 -6.326 41 1HB HIS 7 2HB HIS 7 9.367 -11.494 -5.129 42 2HB HIS 7 1HB HIS 7 8.644 -13.072 -5.527 43 HD1 HIS 7 1HD HIS 7 11.529 -10.763 -6.610 44 HD2 HIS 7 2HD HIS 7 10.576 -14.852 -6.418 45 HE1 HIS 7 1HE HIS 7 13.586 -12.030 -7.262 46 H ARG 8 H ARG 8 9.208 -11.952 -9.354 47 HA ARG 8 HA ARG 8 10.987 -9.875 -9.637 48 1HB ARG 8 2HB ARG 8 9.313 -11.433 -11.674 49 2HB ARG 8 1HB ARG 8 10.593 -10.283 -12.164 50 1HG ARG 8 2HG ARG 8 12.335 -11.598 -11.239 51 2HG ARG 8 1HG ARG 8 11.207 -12.711 -10.394 52 1HD ARG 8 2HD ARG 8 10.325 -13.580 -12.539 53 2HD ARG 8 1HD ARG 8 11.259 -12.329 -13.458 54 HE ARG 8 HE ARG 8 13.160 -13.750 -11.864 55 1HH1 ARG 8 1HH1 ARG 8 11.012 -14.669 -14.604 56 2HH1 ARG 8 2HH1 ARG 8 12.402 -15.021 -15.603 57 1HH2 ARG 8 1HH2 ARG 8 14.670 -14.757 -12.906 58 2HH2 ARG 8 2HH2 ARG 8 14.451 -15.546 -14.441 59 H LEU 9 H LEU 9 7.578 -10.022 -11.020 60 HA LEU 9 HA LEU 9 7.637 -7.492 -11.974 61 1HB LEU 9 2HB LEU 9 5.368 -7.868 -12.380 62 2HB LEU 9 1HB LEU 9 6.304 -9.372 -12.665 63 HG LEU 9 HG LEU 9 5.432 -10.221 -10.412 64 1HD1 LEU 9 1HD1 LEU 9 2.931 -9.198 -10.138 65 2HD1 LEU 9 2HD1 LEU 9 3.747 -7.688 -10.693 66 3HD1 LEU 9 3HD1 LEU 9 4.292 -8.532 -9.192 67 1HD2 LEU 9 1HD2 LEU 9 3.322 -10.998 -11.552 68 2HD2 LEU 9 2HD2 LEU 9 4.754 -11.034 -12.643 69 3HD2 LEU 9 3HD2 LEU 9 3.548 -9.708 -12.798 70 H ALA 10 H ALA 10 6.502 -8.753 -8.921 71 HA ALA 10 HA ALA 10 5.639 -6.417 -7.741 72 1HB ALA 10 1HB ALA 10 6.898 -8.803 -6.339 73 2HB ALA 10 2HB ALA 10 5.157 -8.544 -6.708 74 3HB ALA 10 3HB ALA 10 5.987 -7.461 -5.533 75 H ASP 11 H ASP 11 9.047 -7.659 -7.652 76 HA ASP 11 HA ASP 11 10.051 -5.589 -6.139 77 1HB ASP 11 2HB ASP 11 11.279 -7.460 -8.240 78 2HB ASP 11 1HB ASP 11 12.251 -6.263 -7.314 79 H GLN 12 H GLN 12 9.585 -5.725 -9.707 80 HA GLN 12 HA GLN 12 10.835 -3.175 -9.930 81 1HB GLN 12 2HB GLN 12 10.261 -3.046 -12.201 82 2HB GLN 12 1HB GLN 12 10.968 -4.626 -11.798 83 1HG GLN 12 2HG GLN 12 8.735 -5.697 -11.861 84 2HG GLN 12 1HG GLN 12 7.945 -4.113 -12.214 85 1HE2 GLN 12 1HE2 GLN 12 7.314 -4.187 -14.378 86 2HE2 GLN 12 2HE2 GLN 12 8.291 -4.848 -15.656 87 H LEU 13 H LEU 13 7.291 -4.023 -9.636 88 HA LEU 13 HA LEU 13 6.663 -1.307 -9.938 89 1HB LEU 13 2HB LEU 13 4.458 -1.944 -9.172 90 2HB LEU 13 1HB LEU 13 5.060 -2.841 -10.613 91 HG LEU 13 HG LEU 13 5.687 -4.653 -8.719 92 1HD1 LEU 13 1HD1 LEU 13 3.823 -4.812 -7.025 93 2HD1 LEU 13 2HD1 LEU 13 3.263 -3.169 -7.508 94 3HD1 LEU 13 3HD1 LEU 13 4.888 -3.384 -6.755 95 1HD2 LEU 13 1HD2 LEU 13 2.890 -4.204 -9.943 96 2HD2 LEU 13 2HD2 LEU 13 3.486 -5.760 -9.251 97 3HD2 LEU 13 3HD2 LEU 13 4.277 -5.060 -10.715 98 H TRP 14 H TRP 14 7.296 -3.297 -7.068 99 HA TRP 14 HA TRP 14 6.865 -1.442 -5.103 100 1HB TRP 14 2HB TRP 14 9.201 -3.401 -5.436 101 2HB TRP 14 1HB TRP 14 8.942 -2.444 -3.959 102 HD1 TRP 14 HD TRP 14 9.409 -5.273 -3.637 103 HE1 TRP 14 1HE TRP 14 7.694 -6.753 -2.416 104 HE3 TRP 14 3HE TRP 14 5.186 -2.663 -4.749 105 HZ2 TRP 14 2HZ TRP 14 4.945 -6.645 -1.811 106 HZ3 TRP 14 3HZ TRP 14 3.061 -3.464 -3.925 107 HH2 TRP 14 HH TRP 14 2.919 -5.403 -2.449 108 H LEU 15 H LEU 15 9.867 -1.808 -7.023 109 HA LEU 15 HA LEU 15 11.168 0.394 -5.966 110 1HB LEU 15 2HB LEU 15 12.229 -1.416 -7.273 111 2HB LEU 15 1HB LEU 15 11.325 -0.926 -8.728 112 HG LEU 15 HG LEU 15 12.542 1.256 -8.765 113 1HD1 LEU 15 1HD1 LEU 15 14.049 0.117 -6.320 114 2HD1 LEU 15 2HD1 LEU 15 13.026 1.613 -6.368 115 3HD1 LEU 15 3HD1 LEU 15 14.566 1.547 -7.287 116 1HD2 LEU 15 1HD2 LEU 15 14.392 -1.201 -8.566 117 2HD2 LEU 15 2HD2 LEU 15 14.764 0.343 -9.416 118 3HD2 LEU 15 3HD2 LEU 15 13.433 -0.719 -10.019 119 H THR 16 H THR 16 9.087 0.176 -8.816 120 HA THR 16 HA THR 16 9.254 2.801 -9.635 121 HB THR 16 HB THR 16 6.840 0.968 -9.866 122 HG1 THR 16 1HG THR 16 8.647 0.070 -10.800 123 1HG2 THR 16 1HG2 THR 16 6.412 2.379 -11.928 124 2HG2 THR 16 2HG2 THR 16 7.737 3.492 -11.428 125 3HG2 THR 16 3HG2 THR 16 6.246 3.341 -10.424 126 H ILE 17 H ILE 17 6.511 1.461 -7.669 127 HA ILE 17 HA ILE 17 5.407 3.795 -6.930 128 HB ILE 17 HB ILE 17 5.654 1.171 -5.487 129 1HG1 ILE 17 2HG1 ILE 17 3.327 2.370 -7.097 130 2HG1 ILE 17 1HG1 ILE 17 4.553 1.299 -7.834 131 1HG2 ILE 17 1HG2 ILE 17 3.579 1.930 -4.231 132 2HG2 ILE 17 2HG2 ILE 17 3.786 3.575 -4.933 133 3HG2 ILE 17 3HG2 ILE 17 5.013 2.894 -3.804 134 1HD1 ILE 17 1HD1 ILE 17 3.995 -0.511 -6.176 135 2HD1 ILE 17 2HD1 ILE 17 2.628 -0.056 -7.259 136 3HD1 ILE 17 3HD1 ILE 17 2.646 0.513 -5.551 137 H GLU 18 H GLU 18 8.257 2.283 -5.157 138 HA GLU 18 HA GLU 18 8.315 4.112 -3.146 139 1HB GLU 18 2HB GLU 18 10.302 2.349 -4.598 140 2HB GLU 18 1HB GLU 18 10.914 3.635 -3.533 141 1HG GLU 18 2HG GLU 18 9.460 2.672 -1.639 142 2HG GLU 18 1HG GLU 18 9.271 1.207 -2.684 143 H GLU 19 H GLU 19 10.279 4.189 -6.179 144 HA GLU 19 HA GLU 19 11.398 6.660 -5.612 145 1HB GLU 19 2HB GLU 19 11.100 5.135 -8.244 146 2HB GLU 19 1HB GLU 19 12.086 6.617 -8.043 147 1HG GLU 19 2HG GLU 19 13.456 5.459 -6.286 148 2HG GLU 19 1HG GLU 19 12.566 3.933 -6.616 149 H ARG 20 H ARG 20 8.625 5.840 -7.701 150 HA ARG 20 HA ARG 20 8.425 8.466 -8.702 151 1HB ARG 20 2HB ARG 20 7.750 6.190 -9.762 152 2HB ARG 20 1HB ARG 20 6.251 6.358 -8.825 153 1HG ARG 20 2HG ARG 20 5.737 7.237 -10.969 154 2HG ARG 20 1HG ARG 20 6.007 8.693 -9.967 155 1HD ARG 20 2HD ARG 20 8.443 8.717 -10.942 156 2HD ARG 20 1HD ARG 20 7.894 7.417 -12.070 157 HE ARG 20 HE ARG 20 6.448 10.096 -11.815 158 1HH1 ARG 20 1HH1 ARG 20 8.132 7.826 -14.075 159 2HH1 ARG 20 2HH1 ARG 20 7.589 8.747 -15.430 160 1HH2 ARG 20 1HH2 ARG 20 6.018 11.252 -13.498 161 2HH2 ARG 20 2HH2 ARG 20 6.499 10.818 -15.118 162 H LEU 21 H LEU 21 7.000 6.946 -5.832 163 HA LEU 21 HA LEU 21 5.205 9.215 -5.596 164 1HB LEU 21 2HB LEU 21 4.912 6.660 -4.852 165 2HB LEU 21 1HB LEU 21 5.632 7.286 -3.348 166 HG LEU 21 HG LEU 21 3.258 7.277 -3.139 167 1HD1 LEU 21 1HD1 LEU 21 2.605 9.591 -2.708 168 2HD1 LEU 21 2HD1 LEU 21 3.853 10.222 -3.832 169 3HD1 LEU 21 3HD1 LEU 21 4.357 9.421 -2.300 170 1HD2 LEU 21 1HD2 LEU 21 2.666 7.058 -5.545 171 2HD2 LEU 21 2HD2 LEU 21 3.008 8.808 -5.801 172 3HD2 LEU 21 3HD2 LEU 21 1.658 8.301 -4.720 173 H ASP 22 H ASP 22 8.107 7.951 -3.814 174 HA ASP 22 HA ASP 22 8.177 9.981 -2.010 175 1HB ASP 22 2HB ASP 22 9.332 7.764 -1.905 176 2HB ASP 22 1HB ASP 22 10.570 8.391 -3.049 177 H ASP 23 H ASP 23 10.008 9.872 -5.155 178 HA ASP 23 HA ASP 23 10.585 12.709 -4.723 179 1HB ASP 23 2HB ASP 23 12.460 11.155 -5.545 180 2HB ASP 23 1HB ASP 23 11.472 11.046 -7.068 181 H TRP 24 H TRP 24 8.958 13.889 -5.168 182 HA TRP 24 HA TRP 24 7.707 13.812 -7.786 183 1HB TRP 24 2HB TRP 24 6.378 12.371 -6.204 184 2HB TRP 24 1HB TRP 24 6.128 13.777 -5.137 185 HD1 TRP 24 HD TRP 24 5.598 13.482 -9.054 186 HE1 TRP 24 1HE TRP 24 3.200 14.143 -9.563 187 HE3 TRP 24 3HE TRP 24 3.995 14.243 -4.292 188 HZ2 TRP 24 2HZ TRP 24 0.845 14.754 -8.091 189 HZ3 TRP 24 3HZ TRP 24 1.662 14.862 -3.917 190 HH2 TRP 24 HH TRP 24 0.108 15.109 -5.774 191 H ASP 25 H ASP 25 6.147 15.876 -7.873 192 HA ASP 25 HA ASP 25 7.592 18.102 -6.604 193 1HB ASP 25 2HB ASP 25 5.624 18.008 -8.968 194 2HB ASP 25 1HB ASP 25 6.329 19.514 -8.268 195 H GLY 26 H GLY 26 6.683 18.618 -4.618 196 1HA GLY 26 2HA GLY 26 4.024 19.534 -4.701 197 2HA GLY 26 1HA GLY 26 4.137 17.930 -3.886 198 H ASP 27 H ASP 27 3.115 20.070 -2.522 199 HA ASP 27 HA ASP 27 5.138 21.217 -0.832 200 1HB ASP 27 2HB ASP 27 2.070 21.331 -1.264 201 2HB ASP 27 1HB ASP 27 2.870 22.170 0.116 202 H SER 28 H SER 28 2.668 18.684 -0.882 203 HA SER 28 HA SER 28 2.723 18.262 1.917 204 1HB SER 28 2HB SER 28 1.239 16.306 1.357 205 2HB SER 28 1HB SER 28 0.691 17.881 0.698 206 HG SER 28 HG SER 28 0.559 16.552 -0.986 207 H ASP 29 H ASP 29 3.504 16.474 3.109 208 HA ASP 29 HA ASP 29 5.956 15.478 2.018 209 1HB ASP 29 2HB ASP 29 5.406 16.668 4.326 210 2HB ASP 29 1HB ASP 29 4.957 15.015 4.856 211 H ILE 30 H ILE 30 6.507 13.201 2.983 212 HA ILE 30 HA ILE 30 4.567 11.192 2.530 213 HB ILE 30 HB ILE 30 6.657 11.924 0.477 214 1HG1 ILE 30 2HG1 ILE 30 4.302 12.551 0.024 215 2HG1 ILE 30 1HG1 ILE 30 4.963 11.394 -1.154 216 1HG2 ILE 30 1HG2 ILE 30 7.373 9.651 0.966 217 2HG2 ILE 30 2HG2 ILE 30 6.391 9.602 -0.524 218 3HG2 ILE 30 3HG2 ILE 30 5.669 9.059 1.030 219 1HD1 ILE 30 1HD1 ILE 30 3.735 9.500 -0.079 220 2HD1 ILE 30 2HD1 ILE 30 2.607 10.824 -0.526 221 3HD1 ILE 30 3HD1 ILE 30 3.102 10.598 1.191 222 H ASP 31 H ASP 31 5.080 9.828 4.016 223 HA ASP 31 HA ASP 31 7.916 9.022 4.252 224 1HB ASP 31 2HB ASP 31 5.651 8.678 6.295 225 2HB ASP 31 1HB ASP 31 7.262 7.874 6.411 226 H CYS 32 H CYS 32 8.012 7.581 2.488 227 HA CYS 32 HA CYS 32 6.046 5.538 2.299 228 1HB CYS 32 2HB CYS 32 7.141 5.050 0.287 229 2HB CYS 32 1HB CYS 32 7.143 6.793 0.474 230 HG CYS 32 HG CYS 32 9.612 7.101 1.116 231 H GLU 33 H GLU 33 6.055 3.663 3.274 232 HA GLU 33 HA GLU 33 8.343 2.981 4.974 233 1HB GLU 33 2HB GLU 33 5.540 1.828 4.826 234 2HB GLU 33 1HB GLU 33 6.766 1.289 5.988 235 1HG GLU 33 2HG GLU 33 5.806 4.225 5.913 236 2HG GLU 33 1HG GLU 33 4.921 2.935 6.789 237 H ILE 34 H ILE 34 9.491 1.054 4.765 238 HA ILE 34 HA ILE 34 8.580 -0.847 2.762 239 HB ILE 34 HB ILE 34 11.503 -0.253 3.174 240 1HG1 ILE 34 2HG1 ILE 34 11.367 0.302 0.647 241 2HG1 ILE 34 1HG1 ILE 34 9.631 0.595 0.889 242 1HG2 ILE 34 1HG2 ILE 34 10.831 -2.650 2.603 243 2HG2 ILE 34 2HG2 ILE 34 11.725 -1.843 1.265 244 3HG2 ILE 34 3HG2 ILE 34 9.943 -2.023 1.172 245 1HD1 ILE 34 1HD1 ILE 34 10.169 2.449 2.494 246 2HD1 ILE 34 2HD1 ILE 34 11.091 2.689 0.963 247 3HD1 ILE 34 3HD1 ILE 34 11.919 2.018 2.421 248 H ASN 35 H ASN 35 8.041 -2.389 3.800 249 HA ASN 35 HA ASN 35 9.690 -3.578 5.937 250 1HB ASN 35 2HB ASN 35 6.647 -3.177 5.851 251 2HB ASN 35 1HB ASN 35 7.372 -4.490 6.856 252 1HD2 ASN 35 1HD2 ASN 35 6.414 -1.216 6.913 253 2HD2 ASN 35 2HD2 ASN 35 7.379 -0.710 8.274 254 H GLY 36 H GLY 36 8.946 -5.985 6.193 255 1HA GLY 36 2HA GLY 36 9.950 -7.108 3.881 256 2HA GLY 36 1HA GLY 36 9.269 -7.961 5.304 257 H GLY 37 H GLY 37 8.605 -6.697 2.109 258 1HA GLY 37 2HA GLY 37 7.228 -7.513 0.528 259 2HA GLY 37 1HA GLY 37 6.438 -8.586 1.738 260 H VAL 38 H VAL 38 6.883 -5.283 2.602 261 HA VAL 38 HA VAL 38 4.047 -4.699 2.123 262 HB VAL 38 HB VAL 38 5.631 -4.456 4.702 263 1HG1 VAL 38 1HG1 VAL 38 4.082 -2.511 4.503 264 2HG1 VAL 38 2HG1 VAL 38 3.369 -3.695 5.644 265 3HG1 VAL 38 3HG1 VAL 38 2.755 -3.602 3.951 266 1HG2 VAL 38 1HG2 VAL 38 4.884 -6.800 4.323 267 2HG2 VAL 38 2HG2 VAL 38 3.188 -6.207 4.065 268 3HG2 VAL 38 3HG2 VAL 38 3.982 -6.015 5.661 269 H LEU 39 H LEU 39 3.857 -2.707 1.109 270 HA LEU 39 HA LEU 39 5.809 -0.672 1.871 271 1HB LEU 39 2HB LEU 39 4.071 -0.920 -0.645 272 2HB LEU 39 1HB LEU 39 5.131 0.470 -0.243 273 HG LEU 39 HG LEU 39 6.068 -2.403 -0.755 274 1HD1 LEU 39 1HD1 LEU 39 6.969 -1.398 -2.893 275 2HD1 LEU 39 2HD1 LEU 39 6.226 0.191 -2.451 276 3HD1 LEU 39 3HD1 LEU 39 5.162 -1.218 -2.787 277 1HD2 LEU 39 1HD2 LEU 39 7.654 -1.261 0.777 278 2HD2 LEU 39 2HD2 LEU 39 7.715 0.169 -0.330 279 3HD2 LEU 39 3HD2 LEU 39 8.375 -1.418 -0.868 280 H THR 40 H THR 40 4.995 1.232 2.687 281 HA THR 40 HA THR 40 2.061 1.493 2.688 282 HB THR 40 HB THR 40 3.439 2.354 5.198 283 HG1 THR 40 1HG THR 40 2.771 -0.320 4.581 284 1HG2 THR 40 1HG2 THR 40 1.223 1.592 6.112 285 2HG2 THR 40 2HG2 THR 40 0.782 0.945 4.488 286 3HG2 THR 40 3HG2 THR 40 0.965 2.729 4.726 287 H ILE 41 H ILE 41 1.415 3.285 1.926 288 HA ILE 41 HA ILE 41 3.399 5.389 1.605 289 HB ILE 41 HB ILE 41 0.721 4.851 0.304 290 1HG1 ILE 41 2HG1 ILE 41 3.543 4.847 -0.894 291 2HG1 ILE 41 1HG1 ILE 41 2.664 3.381 -0.375 292 1HG2 ILE 41 1HG2 ILE 41 0.971 7.289 0.523 293 2HG2 ILE 41 2HG2 ILE 41 1.311 6.851 -1.173 294 3HG2 ILE 41 3HG2 ILE 41 2.674 7.221 -0.053 295 1HD1 ILE 41 1HD1 ILE 41 2.390 3.629 -2.784 296 2HD1 ILE 41 2HD1 ILE 41 1.776 5.307 -2.609 297 3HD1 ILE 41 3HD1 ILE 41 0.798 3.919 -1.994 298 H THR 42 H THR 42 3.377 6.925 3.139 299 HA THR 42 HA THR 42 0.784 7.560 4.387 300 HB THR 42 HB THR 42 3.399 7.906 5.847 301 HG1 THR 42 1HG THR 42 3.360 5.801 5.412 302 1HG2 THR 42 1HG2 THR 42 1.299 9.029 6.699 303 2HG2 THR 42 2HG2 THR 42 1.823 7.703 7.791 304 3HG2 THR 42 3HG2 THR 42 0.438 7.441 6.661 305 H PHE 43 H PHE 43 0.185 9.599 4.060 306 HA PHE 43 HA PHE 43 2.268 11.593 3.465 307 1HB PHE 43 2HB PHE 43 0.185 12.802 2.264 308 2HB PHE 43 1HB PHE 43 1.314 11.708 1.443 309 HD1 PHE 43 1HD PHE 43 -2.053 11.954 2.905 310 HD2 PHE 43 2HD PHE 43 0.685 9.626 0.648 311 HE1 PHE 43 1HE PHE 43 -3.896 10.533 2.143 312 HE2 PHE 43 2HE PHE 43 -1.148 8.175 -0.095 313 HZ PHE 43 HZ PHE 43 -3.429 8.614 0.642 314 H GLU 44 H GLU 44 1.285 13.902 3.756 315 HA GLU 44 HA GLU 44 1.641 14.050 6.431 316 1HB GLU 44 2HB GLU 44 2.397 16.081 5.790 317 2HB GLU 44 1HB GLU 44 2.235 15.327 4.216 318 1HG GLU 44 2HG GLU 44 1.124 17.064 3.502 319 2HG GLU 44 1HG GLU 44 -0.313 16.477 4.373 320 H ASN 45 H ASN 45 -1.329 14.288 4.676 321 HA ASN 45 HA ASN 45 -2.914 15.311 6.745 322 1HB ASN 45 2HB ASN 45 -3.527 14.966 4.254 323 2HB ASN 45 1HB ASN 45 -3.792 13.239 4.637 324 1HD2 ASN 45 1HD2 ASN 45 -4.770 16.612 5.613 325 2HD2 ASN 45 2HD2 ASN 45 -6.381 16.186 6.061 326 H GLY 46 H GLY 46 -1.319 12.272 6.495 327 1HA GLY 46 2HA GLY 46 -1.007 10.933 8.229 328 2HA GLY 46 1HA GLY 46 -2.540 11.468 8.991 329 H SER 47 H SER 47 -3.007 10.693 5.742 330 HA SER 47 HA SER 47 -4.359 8.270 6.599 331 1HB SER 47 2HB SER 47 -5.400 10.185 5.140 332 2HB SER 47 1HB SER 47 -4.585 9.348 3.784 333 HG SER 47 HG SER 47 -6.655 8.541 5.479 334 H LYS 48 H LYS 48 -4.509 6.530 4.728 335 HA LYS 48 HA LYS 48 -1.697 5.653 4.514 336 1HB LYS 48 2HB LYS 48 -2.891 5.169 6.715 337 2HB LYS 48 1HB LYS 48 -4.086 4.222 5.800 338 1HG LYS 48 2HG LYS 48 -2.098 2.718 5.035 339 2HG LYS 48 1HG LYS 48 -1.099 3.650 6.200 340 1HD LYS 48 2HD LYS 48 -2.912 3.046 7.975 341 2HD LYS 48 1HD LYS 48 -3.562 1.893 6.763 342 1HE LYS 48 2HE LYS 48 -1.243 0.762 6.719 343 2HE LYS 48 1HE LYS 48 -0.737 1.904 8.021 344 1HZ LYS 48 1HZ LYS 48 -1.376 0.018 9.099 345 2HZ LYS 48 2HZ LYS 48 -2.741 -0.289 8.151 346 3HZ LYS 48 3HZ LYS 48 -2.773 0.933 9.283 347 H ILE 49 H ILE 49 -1.227 4.639 2.630 348 HA ILE 49 HA ILE 49 -3.309 2.848 1.558 349 HB ILE 49 HB ILE 49 -0.787 3.301 0.016 350 1HG1 ILE 49 2HG1 ILE 49 -1.324 5.567 0.522 351 2HG1 ILE 49 1HG1 ILE 49 -1.481 5.158 -1.202 352 1HG2 ILE 49 1HG2 ILE 49 -3.731 2.811 -0.735 353 2HG2 ILE 49 2HG2 ILE 49 -2.453 1.553 -0.599 354 3HG2 ILE 49 3HG2 ILE 49 -2.328 2.833 -1.859 355 1HD1 ILE 49 1HD1 ILE 49 -3.983 5.077 -1.041 356 2HD1 ILE 49 2HD1 ILE 49 -3.338 6.674 -0.549 357 3HD1 ILE 49 3HD1 ILE 49 -3.886 5.502 0.705 358 H ILE 50 H ILE 50 -2.845 0.633 2.011 359 HA ILE 50 HA ILE 50 -0.079 0.063 2.700 360 HB ILE 50 HB ILE 50 -1.082 0.196 4.703 361 1HG1 ILE 50 2HG1 ILE 50 -1.357 -2.201 5.496 362 2HG1 ILE 50 1HG1 ILE 50 -1.265 -2.699 3.776 363 1HG2 ILE 50 1HG2 ILE 50 -3.302 -0.918 5.277 364 2HG2 ILE 50 2HG2 ILE 50 -3.554 -1.161 3.510 365 3HG2 ILE 50 3HG2 ILE 50 -3.430 0.503 4.189 366 1HD1 ILE 50 1HD1 ILE 50 1.091 -1.640 3.671 367 2HD1 ILE 50 2HD1 ILE 50 0.977 -2.865 4.996 368 3HD1 ILE 50 3HD1 ILE 50 0.894 -1.110 5.373 369 H ILE 51 H ILE 51 0.843 -1.163 1.431 370 HA ILE 51 HA ILE 51 -0.716 -2.903 -0.335 371 HB ILE 51 HB ILE 51 1.922 -1.548 -0.951 372 1HG1 ILE 51 2HG1 ILE 51 -0.983 -0.672 -1.328 373 2HG1 ILE 51 1HG1 ILE 51 0.321 0.200 -0.502 374 1HG2 ILE 51 1HG2 ILE 51 -0.256 -2.869 -2.719 375 2HG2 ILE 51 2HG2 ILE 51 1.297 -3.668 -2.259 376 3HG2 ILE 51 3HG2 ILE 51 1.311 -2.198 -3.272 377 1HD1 ILE 51 1HD1 ILE 51 1.570 0.378 -2.743 378 2HD1 ILE 51 2HD1 ILE 51 -0.030 1.229 -2.739 379 3HD1 ILE 51 3HD1 ILE 51 0.136 -0.381 -3.533 380 H ASN 52 H ASN 52 -0.176 -4.926 -0.522 381 HA ASN 52 HA ASN 52 2.295 -6.041 0.289 382 1HB ASN 52 2HB ASN 52 1.669 -5.608 2.521 383 2HB ASN 52 1HB ASN 52 -0.035 -5.978 2.221 384 1HD2 ASN 52 1HD2 ASN 52 3.211 -7.680 2.180 385 2HD2 ASN 52 2HD2 ASN 52 2.589 -9.122 2.928 386 H ARG 53 H ARG 53 2.095 -8.426 0.348 387 HA ARG 53 HA ARG 53 0.570 -9.377 -1.974 388 1HB ARG 53 2HB ARG 53 2.141 -7.816 -2.960 389 2HB ARG 53 1HB ARG 53 3.313 -8.228 -1.707 390 1HG ARG 53 2HG ARG 53 2.948 -10.662 -3.276 391 2HG ARG 53 1HG ARG 53 2.956 -9.299 -4.423 392 1HD ARG 53 2HD ARG 53 5.240 -10.184 -4.193 393 2HD ARG 53 1HD ARG 53 5.169 -8.515 -3.482 394 HE ARG 53 HE ARG 53 4.595 -10.486 -1.425 395 1HH1 ARG 53 1HH1 ARG 53 7.442 -9.212 -3.297 396 2HH1 ARG 53 2HH1 ARG 53 8.501 -9.607 -2.046 397 1HH2 ARG 53 1HH2 ARG 53 6.243 -11.161 0.100 398 2HH2 ARG 53 2HH2 ARG 53 7.818 -10.462 -0.069 399 H GLN 54 H GLN 54 0.119 -11.326 -1.637 400 HA GLN 54 HA GLN 54 1.797 -13.045 0.044 401 1HB GLN 54 2HB GLN 54 -1.148 -12.909 -0.780 402 2HB GLN 54 1HB GLN 54 -0.468 -14.389 -0.079 403 1HG GLN 54 2HG GLN 54 -0.388 -11.636 1.345 404 2HG GLN 54 1HG GLN 54 -1.749 -12.793 1.493 405 1HE2 GLN 54 1HE2 GLN 54 -0.962 -12.364 3.848 406 2HE2 GLN 54 2HE2 GLN 54 0.068 -13.619 4.459 407 H GLU 55 H GLU 55 2.968 -14.445 -1.058 408 HA GLU 55 HA GLU 55 3.092 -14.584 -3.752 409 1HB GLU 55 2HB GLU 55 4.106 -16.453 -1.621 410 2HB GLU 55 1HB GLU 55 4.502 -16.710 -3.342 411 1HG GLU 55 2HG GLU 55 5.758 -14.699 -3.539 412 2HG GLU 55 1HG GLU 55 5.074 -13.995 -2.029 413 HA PRO 56 HA PRO 56 0.756 -18.502 -4.388 414 1HB PRO 56 2HB PRO 56 -1.311 -18.365 -2.148 415 2HB PRO 56 1HB PRO 56 -0.616 -19.824 -2.966 416 1HG PRO 56 2HG PRO 56 0.258 -19.082 -0.473 417 2HG PRO 56 1HG PRO 56 1.483 -19.555 -1.735 418 1HD PRO 56 2HD PRO 56 0.568 -16.703 -0.993 419 2HD PRO 56 1HD PRO 56 2.261 -17.362 -1.144 420 H LEU 57 H LEU 57 -0.283 -17.852 -6.217 421 HA LEU 57 HA LEU 57 -1.428 -16.833 -7.560 422 1HB LEU 57 2HB LEU 57 -3.418 -16.004 -5.444 423 2HB LEU 57 1HB LEU 57 -3.540 -15.628 -7.186 424 HG LEU 57 HG LEU 57 -3.049 -18.219 -7.480 425 1HD1 LEU 57 1HD1 LEU 57 -2.873 -18.869 -5.096 426 2HD1 LEU 57 2HD1 LEU 57 -4.369 -19.580 -5.789 427 3HD1 LEU 57 3HD1 LEU 57 -4.475 -18.115 -4.740 428 1HD2 LEU 57 1HD2 LEU 57 -5.026 -16.991 -8.366 429 2HD2 LEU 57 2HD2 LEU 57 -5.810 -17.045 -6.738 430 3HD2 LEU 57 3HD2 LEU 57 -5.531 -18.577 -7.664 431 H HIS 58 H HIS 58 -1.262 -15.248 -8.731 432 HA HIS 58 HA HIS 58 0.675 -13.293 -8.127 433 1HB HIS 58 2HB HIS 58 -1.124 -13.531 -10.571 434 2HB HIS 58 1HB HIS 58 0.384 -12.555 -10.456 435 HD1 HIS 58 1HD HIS 58 0.481 -14.425 -12.675 436 HD2 HIS 58 2HD HIS 58 1.435 -15.743 -8.793 437 HE1 HIS 58 1HE HIS 58 1.934 -16.445 -12.913 438 H GLN 59 H GLN 59 -1.473 -12.554 -6.311 439 HA GLN 59 HA GLN 59 -2.753 -10.287 -7.644 440 1HB GLN 59 2HB GLN 59 -3.717 -12.150 -5.410 441 2HB GLN 59 1HB GLN 59 -4.479 -10.571 -5.787 442 1HG GLN 59 2HG GLN 59 -4.915 -11.376 -8.151 443 2HG GLN 59 1HG GLN 59 -4.314 -13.000 -7.672 444 1HE2 GLN 59 1HE2 GLN 59 -7.136 -11.658 -8.370 445 2HE2 GLN 59 2HE2 GLN 59 -8.160 -12.355 -7.160 446 H VAL 60 H VAL 60 -2.576 -8.333 -6.684 447 HA VAL 60 HA VAL 60 -0.982 -8.233 -4.181 448 HB VAL 60 HB VAL 60 -1.368 -6.177 -6.358 449 1HG1 VAL 60 1HG1 VAL 60 0.409 -6.170 -3.808 450 2HG1 VAL 60 2HG1 VAL 60 -0.959 -5.037 -4.165 451 3HG1 VAL 60 3HG1 VAL 60 0.530 -4.980 -5.150 452 1HG2 VAL 60 1HG2 VAL 60 1.052 -7.950 -5.633 453 2HG2 VAL 60 2HG2 VAL 60 1.090 -6.583 -6.792 454 3HG2 VAL 60 3HG2 VAL 60 0.079 -8.026 -7.158 455 H TRP 61 H TRP 61 -1.865 -6.634 -2.500 456 HA TRP 61 HA TRP 61 -4.672 -6.042 -3.088 457 1HB TRP 61 2HB TRP 61 -5.263 -6.112 -0.956 458 2HB TRP 61 1HB TRP 61 -4.237 -7.574 -1.126 459 HD1 TRP 61 HD TRP 61 -1.615 -5.418 -0.513 460 HE1 TRP 61 1HE TRP 61 -1.728 -4.003 1.686 461 HE3 TRP 61 3HE TRP 61 -6.025 -6.984 1.344 462 HZ2 TRP 61 2HZ TRP 61 -2.893 -4.490 4.274 463 HZ3 TRP 61 3HZ TRP 61 -6.531 -6.609 3.714 464 HH2 TRP 61 HH TRP 61 -4.993 -5.392 5.150 465 H LEU 62 H LEU 62 -5.496 -3.973 -2.919 466 HA LEU 62 HA LEU 62 -3.556 -1.916 -2.071 467 1HB LEU 62 2HB LEU 62 -5.857 -1.824 -4.085 468 2HB LEU 62 1HB LEU 62 -5.428 -0.364 -3.142 469 HG LEU 62 HG LEU 62 -3.566 -1.768 -5.100 470 1HD1 LEU 62 1HD1 LEU 62 -3.941 0.347 -6.425 471 2HD1 LEU 62 2HD1 LEU 62 -5.177 0.867 -5.220 472 3HD1 LEU 62 3HD1 LEU 62 -5.449 -0.617 -6.210 473 1HD2 LEU 62 1HD2 LEU 62 -3.204 0.769 -3.370 474 2HD2 LEU 62 2HD2 LEU 62 -2.144 0.304 -4.755 475 3HD2 LEU 62 3HD2 LEU 62 -2.227 -0.749 -3.304 476 H ALA 63 H ALA 63 -4.013 -2.218 0.127 477 HA ALA 63 HA ALA 63 -6.794 -1.799 0.898 478 1HB ALA 63 1HB ALA 63 -4.346 -2.637 2.471 479 2HB ALA 63 2HB ALA 63 -5.831 -3.568 2.140 480 3HB ALA 63 3HB ALA 63 -5.910 -2.152 3.255 481 H THR 64 H THR 64 -7.587 0.054 1.608 482 HA THR 64 HA THR 64 -5.920 2.412 1.466 483 HB THR 64 HB THR 64 -6.095 1.592 -0.836 484 HG1 THR 64 1HG THR 64 -6.410 3.444 -1.545 485 1HG2 THR 64 1HG2 THR 64 -8.355 1.606 -1.961 486 2HG2 THR 64 2HG2 THR 64 -9.156 1.755 -0.370 487 3HG2 THR 64 3HG2 THR 64 -8.183 0.278 -0.758 488 H LYS 65 H LYS 65 -7.942 4.219 0.961 489 HA LYS 65 HA LYS 65 -9.127 4.396 3.418 490 1HB LYS 65 2HB LYS 65 -8.699 6.228 1.624 491 2HB LYS 65 1HB LYS 65 -10.295 5.788 0.974 492 1HG LYS 65 2HG LYS 65 -10.605 7.653 2.505 493 2HG LYS 65 1HG LYS 65 -11.261 6.197 3.313 494 1HD LYS 65 2HD LYS 65 -8.646 6.120 4.174 495 2HD LYS 65 1HD LYS 65 -8.823 7.874 3.966 496 1HE LYS 65 2HE LYS 65 -10.627 6.041 5.718 497 2HE LYS 65 1HE LYS 65 -9.293 7.108 6.310 498 1HZ LYS 65 1HZ LYS 65 -11.888 7.912 5.119 499 2HZ LYS 65 2HZ LYS 65 -10.578 8.975 5.229 500 3HZ LYS 65 3HZ LYS 65 -11.236 8.284 6.632 501 H GLN 66 H GLN 66 -10.626 3.296 0.425 502 HA GLN 66 HA GLN 66 -13.206 3.021 1.475 503 1HB GLN 66 2HB GLN 66 -11.690 1.942 -0.938 504 2HB GLN 66 1HB GLN 66 -13.401 1.509 -0.673 505 1HG GLN 66 2HG GLN 66 -14.091 3.884 -0.699 506 2HG GLN 66 1HG GLN 66 -12.375 4.414 -0.848 507 1HE2 GLN 66 1HE2 GLN 66 -13.772 5.459 -2.714 508 2HE2 GLN 66 2HE2 GLN 66 -13.466 4.683 -4.248 509 H GLY 67 H GLY 67 -10.505 0.836 1.705 510 1HA GLY 67 2HA GLY 67 -11.193 -0.653 3.643 511 2HA GLY 67 1HA GLY 67 -12.319 -1.375 2.439 512 H GLY 68 H GLY 68 -10.664 -1.367 0.182 513 1HA GLY 68 2HA GLY 68 -8.529 -2.111 -0.300 514 2HA GLY 68 1HA GLY 68 -8.612 -3.338 1.010 515 H TYR 69 H TYR 69 -8.522 -2.974 -2.228 516 HA TYR 69 HA TYR 69 -10.045 -5.453 -2.722 517 1HB TYR 69 2HB TYR 69 -9.493 -3.053 -4.540 518 2HB TYR 69 1HB TYR 69 -10.372 -4.536 -5.030 519 HD1 TYR 69 1HD TYR 69 -12.035 -4.420 -2.172 520 HD2 TYR 69 2HD TYR 69 -11.213 -1.830 -5.438 521 HE1 TYR 69 1HE TYR 69 -14.036 -3.149 -1.660 522 HE2 TYR 69 2HE TYR 69 -13.227 -0.558 -4.941 523 HH TYR 69 HH TYR 69 -14.950 -0.286 -3.572 524 H HIS 70 H HIS 70 -8.809 -7.117 -3.441 525 HA HIS 70 HA HIS 70 -6.144 -6.528 -4.341 526 1HB HIS 70 2HB HIS 70 -5.768 -8.945 -4.368 527 2HB HIS 70 1HB HIS 70 -6.307 -8.306 -2.795 528 HD1 HIS 70 1HD HIS 70 -8.109 -10.049 -5.766 529 HD2 HIS 70 2HD HIS 70 -8.082 -9.876 -1.562 530 HE1 HIS 70 1HE HIS 70 -9.759 -11.715 -4.951 531 H PHE 71 H PHE 71 -5.155 -7.502 -6.213 532 HA PHE 71 HA PHE 71 -6.961 -7.347 -8.501 533 1HB PHE 71 2HB PHE 71 -5.839 -5.391 -9.345 534 2HB PHE 71 1HB PHE 71 -6.520 -5.098 -7.695 535 HD1 PHE 71 1HD PHE 71 -5.004 -4.850 -5.737 536 HD2 PHE 71 2HD PHE 71 -3.691 -5.094 -9.739 537 HE1 PHE 71 1HE PHE 71 -2.883 -3.786 -5.095 538 HE2 PHE 71 2HE PHE 71 -1.570 -3.947 -9.130 539 HZ PHE 71 HZ PHE 71 -1.188 -3.307 -6.781 540 H ASP 72 H ASP 72 -6.195 -7.791 -10.517 541 HA ASP 72 HA ASP 72 -3.946 -9.658 -10.545 542 1HB ASP 72 2HB ASP 72 -6.616 -9.614 -12.081 543 2HB ASP 72 1HB ASP 72 -5.294 -10.786 -12.425 544 H LEU 73 H LEU 73 -3.342 -10.132 -12.905 545 HA LEU 73 HA LEU 73 -2.833 -7.586 -14.296 546 1HB LEU 73 2HB LEU 73 -0.903 -8.802 -13.289 547 2HB LEU 73 1HB LEU 73 -1.350 -10.274 -14.190 548 HG LEU 73 HG LEU 73 -0.869 -9.101 -16.351 549 1HD1 LEU 73 1HD1 LEU 73 -0.179 -6.765 -14.463 550 2HD1 LEU 73 2HD1 LEU 73 -1.368 -6.739 -15.814 551 3HD1 LEU 73 3HD1 LEU 73 0.407 -6.849 -16.157 552 1HD2 LEU 73 1HD2 LEU 73 1.594 -8.992 -16.087 553 2HD2 LEU 73 2HD2 LEU 73 0.916 -10.399 -15.189 554 3HD2 LEU 73 3HD2 LEU 73 1.418 -8.914 -14.295 555 H LYS 74 H LYS 74 -4.218 -7.331 -15.990 556 HA LYS 74 HA LYS 74 -4.844 -9.489 -17.724 557 1HB LYS 74 2HB LYS 74 -5.339 -6.593 -17.553 558 2HB LYS 74 1HB LYS 74 -4.958 -7.033 -19.218 559 1HG LYS 74 2HG LYS 74 -7.141 -8.305 -17.496 560 2HG LYS 74 1HG LYS 74 -7.384 -7.090 -18.776 561 1HD LYS 74 2HD LYS 74 -6.356 -9.981 -19.214 562 2HD LYS 74 1HD LYS 74 -8.009 -9.375 -19.401 563 1HE LYS 74 2HE LYS 74 -7.428 -9.337 -21.576 564 2HE LYS 74 1HE LYS 74 -6.949 -7.654 -21.160 565 1HZ LYS 74 1HZ LYS 74 -5.026 -9.935 -21.068 566 2HZ LYS 74 2HZ LYS 74 -4.702 -8.262 -21.228 567 3HZ LYS 74 3HZ LYS 74 -5.419 -9.135 -22.483 568 H GLY 75 H GLY 75 -2.293 -7.027 -17.659 569 1HA GLY 75 2HA GLY 75 -0.369 -8.521 -18.772 570 2HA GLY 75 1HA GLY 75 -1.234 -7.826 -20.201 571 H ASP 76 H ASP 76 -1.611 -5.408 -20.083 572 HA ASP 76 HA ASP 76 0.809 -4.101 -19.128 573 1HB ASP 76 2HB ASP 76 0.342 -2.542 -20.983 574 2HB ASP 76 1HB ASP 76 0.486 -4.242 -21.545 575 H GLU 77 H GLU 77 -2.094 -4.643 -17.850 576 HA GLU 77 HA GLU 77 -2.245 -2.154 -16.392 577 1HB GLU 77 2HB GLU 77 -3.551 -1.742 -18.519 578 2HB GLU 77 1HB GLU 77 -4.647 -3.062 -18.036 579 1HG GLU 77 2HG GLU 77 -5.358 -1.813 -16.037 580 2HG GLU 77 1HG GLU 77 -4.000 -0.637 -16.209 581 H TRP 78 H TRP 78 -2.688 -2.577 -14.464 582 HA TRP 78 HA TRP 78 -3.411 -5.300 -13.701 583 1HB TRP 78 2HB TRP 78 -2.237 -2.903 -12.184 584 2HB TRP 78 1HB TRP 78 -2.963 -4.318 -11.364 585 HD1 TRP 78 HD TRP 78 0.127 -3.409 -13.572 586 HE1 TRP 78 1HE TRP 78 1.848 -5.302 -13.290 587 HE3 TRP 78 3HE TRP 78 -2.627 -6.579 -10.701 588 HZ2 TRP 78 2HZ TRP 78 2.019 -7.751 -11.951 589 HZ3 TRP 78 3HZ TRP 78 -1.599 -8.624 -9.874 590 HH2 TRP 78 HH TRP 78 0.670 -9.217 -10.461 591 H ILE 79 H ILE 79 -5.391 -5.761 -12.784 592 HA ILE 79 HA ILE 79 -7.435 -3.709 -13.064 593 HB ILE 79 HB ILE 79 -7.812 -4.621 -15.058 594 1HG1 ILE 79 2HG1 ILE 79 -8.716 -7.075 -13.520 595 2HG1 ILE 79 1HG1 ILE 79 -9.679 -5.544 -13.507 596 1HG2 ILE 79 1HG2 ILE 79 -7.012 -6.907 -15.764 597 2HG2 ILE 79 2HG2 ILE 79 -6.332 -7.163 -14.126 598 3HG2 ILE 79 3HG2 ILE 79 -5.688 -5.855 -15.211 599 1HD1 ILE 79 1HD1 ILE 79 -9.045 -7.225 -16.020 600 2HD1 ILE 79 2HD1 ILE 79 -9.917 -5.653 -16.001 601 3HD1 ILE 79 3HD1 ILE 79 -10.625 -7.088 -15.175 602 H CYS 80 H CYS 80 -9.080 -3.913 -11.569 603 HA CYS 80 HA CYS 80 -8.231 -5.352 -9.300 604 1HB CYS 80 2HB CYS 80 -10.765 -3.718 -9.688 605 2HB CYS 80 1HB CYS 80 -10.149 -4.304 -8.126 606 HG CYS 80 HG CYS 80 -8.191 -2.818 -7.850 607 H ASP 81 H ASP 81 -9.132 -7.227 -8.340 608 HA ASP 81 HA ASP 81 -10.763 -8.904 -9.937 609 1HB ASP 81 2HB ASP 81 -8.924 -9.705 -8.455 610 2HB ASP 81 1HB ASP 81 -9.766 -9.020 -7.021 611 H ARG 82 H ARG 82 -11.095 -7.341 -6.789 612 HA ARG 82 HA ARG 82 -13.873 -7.839 -6.538 613 1HB ARG 82 2HB ARG 82 -12.100 -7.679 -4.744 614 2HB ARG 82 1HB ARG 82 -11.940 -5.939 -5.100 615 1HG ARG 82 2HG ARG 82 -13.144 -6.300 -3.076 616 2HG ARG 82 1HG ARG 82 -14.256 -5.548 -4.251 617 1HD ARG 82 2HD ARG 82 -15.650 -7.473 -4.369 618 2HD ARG 82 1HD ARG 82 -14.271 -8.588 -4.047 619 HE ARG 82 HE ARG 82 -14.866 -8.505 -1.791 620 1HH1 ARG 82 1HH1 ARG 82 -16.310 -5.491 -3.098 621 2HH1 ARG 82 2HH1 ARG 82 -16.616 -4.929 -1.496 622 1HH2 ARG 82 1HH2 ARG 82 -14.871 -7.363 0.233 623 2HH2 ARG 82 2HH2 ARG 82 -15.664 -5.835 0.259 624 H SER 83 H SER 83 -15.528 -6.676 -7.230 625 HA SER 83 HA SER 83 -16.774 -5.146 -8.099 626 1HB SER 83 2HB SER 83 -15.661 -3.331 -6.808 627 2HB SER 83 1HB SER 83 -14.510 -3.102 -8.156 628 HG SER 83 HG SER 83 -16.055 -1.740 -8.640 629 H GLY 84 H GLY 84 -13.557 -4.805 -9.555 630 1HA GLY 84 2HA GLY 84 -13.062 -5.665 -11.678 631 2HA GLY 84 1HA GLY 84 -14.765 -5.399 -12.192 632 H GLU 85 H GLU 85 -11.780 -3.810 -11.199 633 HA GLU 85 HA GLU 85 -12.437 -1.458 -12.792 634 1HB GLU 85 2HB GLU 85 -11.741 -1.332 -9.826 635 2HB GLU 85 1HB GLU 85 -11.853 0.076 -10.942 636 1HG GLU 85 2HG GLU 85 -14.231 -0.505 -11.456 637 2HG GLU 85 1HG GLU 85 -14.152 -1.841 -10.264 638 H THR 86 H THR 86 -9.943 -0.289 -11.253 639 HA THR 86 HA THR 86 -8.076 -1.419 -13.222 640 HB THR 86 HB THR 86 -8.933 1.523 -12.862 641 HG1 THR 86 1HG THR 86 -10.489 0.789 -13.975 642 1HG2 THR 86 1HG2 THR 86 -7.652 1.854 -15.042 643 2HG2 THR 86 2HG2 THR 86 -7.049 0.166 -14.927 644 3HG2 THR 86 3HG2 THR 86 -6.578 1.387 -13.690 645 H PHE 87 H PHE 87 -5.849 -1.273 -12.465 646 HA PHE 87 HA PHE 87 -5.544 -0.545 -9.848 647 1HB PHE 87 2HB PHE 87 -4.186 -2.177 -10.931 648 2HB PHE 87 1HB PHE 87 -3.604 -0.991 -12.148 649 HD1 PHE 87 1HD PHE 87 -1.421 -0.527 -11.863 650 HD2 PHE 87 2HD PHE 87 -3.790 -1.115 -8.375 651 HE1 PHE 87 1HE PHE 87 0.513 -0.015 -10.465 652 HE2 PHE 87 2HE PHE 87 -1.853 -0.584 -6.973 653 HZ PHE 87 HZ PHE 87 0.308 -0.055 -8.024 654 H TRP 88 H TRP 88 -3.646 1.304 -12.354 655 HA TRP 88 HA TRP 88 -2.905 3.118 -10.541 656 1HB TRP 88 2HB TRP 88 -3.190 3.610 -13.538 657 2HB TRP 88 1HB TRP 88 -2.037 4.383 -12.406 658 HD1 TRP 88 HD TRP 88 -2.381 1.474 -14.752 659 HE1 TRP 88 1HE TRP 88 -0.102 0.236 -14.847 660 HE3 TRP 88 3HE TRP 88 -0.102 3.655 -10.778 661 HZ2 TRP 88 2HZ TRP 88 2.281 0.205 -13.423 662 HZ3 TRP 88 3HZ TRP 88 2.205 2.948 -10.197 663 HH2 TRP 88 HH TRP 88 3.362 1.306 -11.515 664 H ASP 89 H ASP 89 -5.774 3.203 -12.501 665 HA ASP 89 HA ASP 89 -6.377 5.931 -11.918 666 1HB ASP 89 2HB ASP 89 -6.987 4.631 -14.055 667 2HB ASP 89 1HB ASP 89 -8.312 3.868 -13.098 668 H LEU 90 H LEU 90 -7.406 2.770 -10.458 669 HA LEU 90 HA LEU 90 -9.379 4.037 -8.926 670 1HB LEU 90 2HB LEU 90 -9.373 1.612 -9.364 671 2HB LEU 90 1HB LEU 90 -7.865 1.436 -8.431 672 HG LEU 90 HG LEU 90 -9.049 2.355 -6.415 673 1HD1 LEU 90 1HD1 LEU 90 -10.946 3.588 -7.427 674 2HD1 LEU 90 2HD1 LEU 90 -11.577 2.295 -6.350 675 3HD1 LEU 90 3HD1 LEU 90 -11.589 2.047 -8.130 676 1HD2 LEU 90 1HD2 LEU 90 -8.746 -0.134 -6.810 677 2HD2 LEU 90 2HD2 LEU 90 -10.358 -0.176 -7.617 678 3HD2 LEU 90 3HD2 LEU 90 -10.245 0.240 -5.872 679 H LEU 91 H LEU 91 -6.057 3.070 -8.451 680 HA LEU 91 HA LEU 91 -5.526 4.038 -5.922 681 1HB LEU 91 2HB LEU 91 -4.085 2.558 -7.323 682 2HB LEU 91 1HB LEU 91 -3.724 3.933 -8.395 683 HG LEU 91 HG LEU 91 -2.521 5.088 -6.564 684 1HD1 LEU 91 1HD1 LEU 91 -1.984 3.883 -4.431 685 2HD1 LEU 91 2HD1 LEU 91 -3.162 2.594 -4.865 686 3HD1 LEU 91 3HD1 LEU 91 -3.731 4.290 -4.549 687 1HD2 LEU 91 1HD2 LEU 91 -1.635 2.161 -6.959 688 2HD2 LEU 91 2HD2 LEU 91 -0.585 3.536 -6.441 689 3HD2 LEU 91 3HD2 LEU 91 -1.315 3.530 -8.087 690 H GLU 92 H GLU 92 -5.500 5.861 -8.995 691 HA GLU 92 HA GLU 92 -4.748 8.311 -7.949 692 1HB GLU 92 2HB GLU 92 -4.912 7.637 -10.370 693 2HB GLU 92 1HB GLU 92 -6.689 7.736 -10.238 694 1HG GLU 92 2HG GLU 92 -6.425 10.220 -9.612 695 2HG GLU 92 1HG GLU 92 -4.659 10.036 -9.923 696 H GLN 93 H GLN 93 -8.059 7.064 -8.486 697 HA GLN 93 HA GLN 93 -9.483 9.104 -7.377 698 1HB GLN 93 2HB GLN 93 -10.392 7.260 -8.654 699 2HB GLN 93 1HB GLN 93 -9.994 6.077 -7.401 700 1HG GLN 93 2HG GLN 93 -11.974 8.398 -6.926 701 2HG GLN 93 1HG GLN 93 -12.448 6.818 -7.625 702 1HE2 GLN 93 1HE2 GLN 93 -12.693 8.396 -4.818 703 2HE2 GLN 93 2HE2 GLN 93 -12.523 7.070 -3.700 704 H ALA 94 H ALA 94 -8.416 6.193 -5.712 705 HA ALA 94 HA ALA 94 -9.228 6.631 -3.147 706 1HB ALA 94 1HB ALA 94 -7.366 5.079 -2.546 707 2HB ALA 94 2HB ALA 94 -6.618 5.335 -4.168 708 3HB ALA 94 3HB ALA 94 -8.211 4.525 -4.038 709 H ALA 95 H ALA 95 -5.982 7.404 -4.439 710 HA ALA 95 HA ALA 95 -5.097 8.738 -2.179 711 1HB ALA 95 1HB ALA 95 -3.633 7.784 -3.953 712 2HB ALA 95 2HB ALA 95 -3.243 9.507 -3.631 713 3HB ALA 95 3HB ALA 95 -4.207 9.046 -5.098 714 H THR 96 H THR 96 -6.583 10.188 -5.141 715 HA THR 96 HA THR 96 -6.409 12.787 -4.148 716 HB THR 96 HB THR 96 -8.315 11.618 -6.197 717 HG1 THR 96 1HG THR 96 -5.812 12.894 -6.219 718 1HG2 THR 96 1HG2 THR 96 -8.358 14.031 -7.054 719 2HG2 THR 96 2HG2 THR 96 -7.526 14.554 -5.545 720 3HG2 THR 96 3HG2 THR 96 -9.187 13.847 -5.485 721 H GLN 97 H GLN 97 -8.521 10.280 -3.295 722 HA GLN 97 HA GLN 97 -10.514 11.986 -2.070 723 1HB GLN 97 2HB GLN 97 -11.483 10.025 -2.597 724 2HB GLN 97 1HB GLN 97 -9.982 9.109 -2.445 725 1HG GLN 97 2HG GLN 97 -11.684 8.312 -0.910 726 2HG GLN 97 1HG GLN 97 -10.265 8.797 -0.014 727 1HE2 GLN 97 1HE2 GLN 97 -10.895 9.664 1.904 728 2HE2 GLN 97 2HE2 GLN 97 -12.190 10.803 2.132 729 H GLN 98 H GLN 98 -8.177 9.696 -0.643 730 HA GLN 98 HA GLN 98 -8.579 10.942 1.848 731 1HB GLN 98 2HB GLN 98 -7.223 9.230 2.786 732 2HB GLN 98 1HB GLN 98 -8.349 8.582 1.561 733 1HG GLN 98 2HG GLN 98 -6.355 8.687 -0.144 734 2HG GLN 98 1HG GLN 98 -5.319 8.972 1.304 735 1HE2 GLN 98 1HE2 GLN 98 -5.929 7.251 3.190 736 2HE2 GLN 98 2HE2 GLN 98 -5.731 5.630 2.559 737 H ALA 99 H ALA 99 -5.960 11.472 -0.499 738 HA ALA 99 HA ALA 99 -4.538 13.091 1.424 739 1HB ALA 99 1HB ALA 99 -2.989 13.534 -0.423 740 2HB ALA 99 2HB ALA 99 -4.099 12.762 -1.603 741 3HB ALA 99 3HB ALA 99 -3.303 11.767 -0.342 742 H GLY 100 H GLY 100 -6.560 13.559 -1.485 743 1HA GLY 100 2HA GLY 100 -7.906 15.346 -1.872 744 2HA GLY 100 1HA GLY 100 -7.054 16.301 -0.634 745 H GLU 101 H GLU 101 -5.486 14.604 -3.351 746 HA GLU 101 HA GLU 101 -5.349 16.963 -4.927 747 1HB GLU 101 2HB GLU 101 -2.944 17.357 -4.863 748 2HB GLU 101 1HB GLU 101 -3.666 17.575 -3.253 749 1HG GLU 101 2HG GLU 101 -2.880 15.168 -2.684 750 2HG GLU 101 1HG GLU 101 -1.920 15.229 -4.206 751 H THR 102 H THR 102 -4.072 16.514 -7.015 752 HA THR 102 HA THR 102 -4.708 13.850 -7.755 753 HB THR 102 HB THR 102 -3.450 15.982 -9.440 754 HG1 THR 102 1HG THR 102 -6.055 14.875 -9.250 755 1HG2 THR 102 1HG2 THR 102 -4.273 14.445 -11.307 756 2HG2 THR 102 2HG2 THR 102 -4.633 13.172 -10.087 757 3HG2 THR 102 3HG2 THR 102 -2.941 13.707 -10.390 758 H VAL 103 H VAL 103 -3.465 12.659 -6.391 759 HA VAL 103 HA VAL 103 -0.674 12.275 -6.998 760 HB VAL 103 HB VAL 103 -2.704 10.633 -5.476 761 1HG1 VAL 103 1HG1 VAL 103 -0.627 9.312 -6.161 762 2HG1 VAL 103 2HG1 VAL 103 -0.625 9.629 -4.391 763 3HG1 VAL 103 3HG1 VAL 103 0.410 10.617 -5.471 764 1HG2 VAL 103 1HG2 VAL 103 -2.487 12.860 -4.392 765 2HG2 VAL 103 2HG2 VAL 103 -0.687 12.763 -4.489 766 3HG2 VAL 103 3HG2 VAL 103 -1.598 11.645 -3.417 767 H SER 104 H SER 104 -0.403 11.669 -8.993 768 HA SER 104 HA SER 104 -1.724 9.278 -10.056 769 1HB SER 104 2HB SER 104 -3.066 11.253 -10.855 770 2HB SER 104 1HB SER 104 -1.584 11.974 -11.537 771 HG SER 104 HG SER 104 -3.243 10.083 -12.515 772 H PHE 105 H PHE 105 -0.427 8.247 -11.723 773 HA PHE 105 HA PHE 105 2.302 9.322 -11.877 774 1HB PHE 105 2HB PHE 105 3.042 7.458 -11.128 775 2HB PHE 105 1HB PHE 105 1.403 6.823 -10.967 776 HD1 PHE 105 1HD PHE 105 4.512 6.610 -12.719 777 HD2 PHE 105 2HD PHE 105 0.399 5.580 -12.906 778 HE1 PHE 105 1HE PHE 105 5.034 4.844 -14.339 779 HE2 PHE 105 2HE PHE 105 0.914 3.840 -14.564 780 HZ PHE 105 HZ PHE 105 3.228 3.464 -15.271 781 H ARG 106 H ARG 106 -0.520 8.900 -13.756 782 HA ARG 106 HA ARG 106 0.959 8.137 -16.109 783 1HB ARG 106 2HB ARG 106 -2.026 8.619 -15.718 784 2HB ARG 106 1HB ARG 106 -1.228 7.966 -17.178 785 1HG ARG 106 2HG ARG 106 -0.223 6.206 -15.351 786 2HG ARG 106 1HG ARG 106 -1.696 6.678 -14.466 787 1HD ARG 106 2HD ARG 106 -2.154 4.647 -15.773 788 2HD ARG 106 1HD ARG 106 -3.050 6.009 -16.578 789 HE ARG 106 HE ARG 106 -0.506 6.032 -17.786 790 1HH1 ARG 106 1HH1 ARG 106 -3.011 3.434 -17.559 791 2HH1 ARG 106 2HH1 ARG 106 -2.444 2.702 -18.984 792 1HH2 ARG 106 1HH2 ARG 106 0.237 4.966 -19.463 793 2HH2 ARG 106 2HH2 ARG 106 -0.394 3.415 -19.982 Start of MODEL 4 1 HA MET 1 HA MET 1 6.441 -19.970 -14.351 2 1HB MET 1 2HB MET 1 9.011 -21.066 -13.100 3 2HB MET 1 1HB MET 1 7.495 -22.008 -13.214 4 1HG MET 1 2HG MET 1 7.528 -21.977 -15.634 5 2HG MET 1 1HG MET 1 8.871 -20.811 -15.674 6 1HE MET 1 1HE MET 1 7.672 -24.411 -14.866 7 2HE MET 1 2HE MET 1 8.450 -24.042 -13.285 8 3HE MET 1 3HE MET 1 9.165 -25.273 -14.368 9 H ASN 2 H ASN 2 5.307 -18.406 -13.066 10 HA ASN 2 HA ASN 2 4.209 -17.726 -11.362 11 1HB ASN 2 2HB ASN 2 5.081 -20.201 -9.800 12 2HB ASN 2 1HB ASN 2 3.715 -19.103 -9.391 13 1HD2 ASN 2 1HD2 ASN 2 2.274 -18.785 -11.712 14 2HD2 ASN 2 2HD2 ASN 2 1.844 -20.333 -12.385 15 H ASP 3 H ASP 3 6.725 -19.143 -9.326 16 HA ASP 3 HA ASP 3 6.743 -17.064 -7.571 17 1HB ASP 3 2HB ASP 3 7.689 -19.640 -7.678 18 2HB ASP 3 1HB ASP 3 9.243 -18.797 -7.933 19 H SER 4 H SER 4 9.084 -17.740 -10.185 20 HA SER 4 HA SER 4 10.760 -15.619 -9.800 21 1HB SER 4 2HB SER 4 9.970 -16.818 -12.512 22 2HB SER 4 1HB SER 4 11.518 -16.005 -12.079 23 HG SER 4 HG SER 4 11.723 -18.222 -12.035 24 H GLU 5 H GLU 5 7.742 -15.783 -11.655 25 HA GLU 5 HA GLU 5 8.059 -13.259 -12.883 26 1HB GLU 5 2HB GLU 5 6.648 -15.429 -13.525 27 2HB GLU 5 1HB GLU 5 5.393 -14.676 -12.529 28 1HG GLU 5 2HG GLU 5 4.925 -13.981 -14.751 29 2HG GLU 5 1HG GLU 5 5.704 -12.531 -14.029 30 H PHE 6 H PHE 6 5.971 -14.432 -10.171 31 HA PHE 6 HA PHE 6 5.088 -12.067 -9.285 32 1HB PHE 6 2HB PHE 6 4.658 -14.520 -8.448 33 2HB PHE 6 1HB PHE 6 6.079 -14.288 -7.394 34 HD1 PHE 6 1HD PHE 6 3.139 -12.216 -8.473 35 HD2 PHE 6 2HD PHE 6 5.346 -13.835 -5.223 36 HE1 PHE 6 1HE PHE 6 1.657 -11.081 -6.912 37 HE2 PHE 6 2HE PHE 6 3.806 -12.771 -3.653 38 HZ PHE 6 HZ PHE 6 1.933 -11.390 -4.506 39 H HIS 7 H HIS 7 8.234 -13.501 -8.226 40 HA HIS 7 HA HIS 7 8.857 -11.325 -6.619 41 1HB HIS 7 2HB HIS 7 10.650 -13.367 -8.014 42 2HB HIS 7 1HB HIS 7 11.283 -12.135 -6.861 43 HD1 HIS 7 1HD HIS 7 10.591 -15.531 -6.528 44 HD2 HIS 7 2HD HIS 7 9.030 -12.166 -4.551 45 HE1 HIS 7 1HE HIS 7 9.582 -16.343 -4.410 46 H ARG 8 H ARG 8 9.757 -11.761 -10.071 47 HA ARG 8 HA ARG 8 11.172 -9.401 -10.273 48 1HB ARG 8 2HB ARG 8 9.525 -11.013 -12.256 49 2HB ARG 8 1HB ARG 8 10.332 -9.488 -12.740 50 1HG ARG 8 2HG ARG 8 12.537 -10.345 -12.111 51 2HG ARG 8 1HG ARG 8 11.812 -11.863 -11.505 52 1HD ARG 8 2HD ARG 8 12.812 -12.224 -13.763 53 2HD ARG 8 1HD ARG 8 11.029 -12.449 -13.786 54 HE ARG 8 HE ARG 8 10.808 -10.565 -15.159 55 1HH1 ARG 8 1HH1 ARG 8 14.291 -10.861 -14.407 56 2HH1 ARG 8 2HH1 ARG 8 14.658 -9.314 -15.108 57 1HH2 ARG 8 1HH2 ARG 8 11.392 -8.489 -16.038 58 2HH2 ARG 8 2HH2 ARG 8 13.062 -8.229 -16.387 59 H LEU 9 H LEU 9 7.649 -9.880 -10.984 60 HA LEU 9 HA LEU 9 7.230 -7.175 -11.502 61 1HB LEU 9 2HB LEU 9 5.422 -9.532 -10.825 62 2HB LEU 9 1HB LEU 9 4.767 -7.911 -11.215 63 HG LEU 9 HG LEU 9 6.565 -9.534 -13.103 64 1HD1 LEU 9 1HD1 LEU 9 4.462 -10.744 -12.826 65 2HD1 LEU 9 2HD1 LEU 9 4.435 -9.900 -14.409 66 3HD1 LEU 9 3HD1 LEU 9 3.496 -9.216 -13.038 67 1HD2 LEU 9 1HD2 LEU 9 4.875 -6.984 -13.558 68 2HD2 LEU 9 2HD2 LEU 9 5.727 -7.924 -14.835 69 3HD2 LEU 9 3HD2 LEU 9 6.679 -7.086 -13.566 70 H ALA 10 H ALA 10 6.790 -9.030 -8.450 71 HA ALA 10 HA ALA 10 5.482 -6.995 -7.106 72 1HB ALA 10 1HB ALA 10 6.080 -8.258 -5.051 73 2HB ALA 10 2HB ALA 10 7.262 -9.236 -6.000 74 3HB ALA 10 3HB ALA 10 5.501 -9.364 -6.346 75 H ASP 11 H ASP 11 9.042 -7.765 -7.149 76 HA ASP 11 HA ASP 11 9.659 -5.570 -5.526 77 1HB ASP 11 2HB ASP 11 11.213 -7.346 -7.470 78 2HB ASP 11 1HB ASP 11 11.995 -5.978 -6.600 79 H GLN 12 H GLN 12 9.359 -5.851 -9.084 80 HA GLN 12 HA GLN 12 10.193 -3.223 -9.557 81 1HB GLN 12 2HB GLN 12 8.355 -5.117 -11.068 82 2HB GLN 12 1HB GLN 12 8.679 -3.474 -11.673 83 1HG GLN 12 2HG GLN 12 10.837 -5.612 -11.150 84 2HG GLN 12 1HG GLN 12 10.152 -5.181 -12.751 85 1HE2 GLN 12 1HE2 GLN 12 10.213 -2.546 -13.024 86 2HE2 GLN 12 2HE2 GLN 12 11.735 -1.814 -12.587 87 H LEU 13 H LEU 13 6.786 -4.395 -8.921 88 HA LEU 13 HA LEU 13 5.818 -1.824 -9.240 89 1HB LEU 13 2HB LEU 13 3.793 -2.622 -8.740 90 2HB LEU 13 1HB LEU 13 4.615 -3.975 -9.593 91 HG LEU 13 HG LEU 13 4.963 -4.762 -6.981 92 1HD1 LEU 13 1HD1 LEU 13 2.322 -3.141 -7.041 93 2HD1 LEU 13 2HD1 LEU 13 3.745 -2.771 -6.004 94 3HD1 LEU 13 3HD1 LEU 13 2.811 -4.290 -5.743 95 1HD2 LEU 13 1HD2 LEU 13 2.417 -5.124 -8.689 96 2HD2 LEU 13 2HD2 LEU 13 2.910 -6.175 -7.309 97 3HD2 LEU 13 3HD2 LEU 13 3.923 -6.107 -8.800 98 H TRP 14 H TRP 14 6.745 -3.561 -6.369 99 HA TRP 14 HA TRP 14 6.399 -1.797 -4.331 100 1HB TRP 14 2HB TRP 14 8.568 -3.723 -5.125 101 2HB TRP 14 1HB TRP 14 9.036 -2.545 -3.888 102 HD1 TRP 14 HD TRP 14 9.556 -4.264 -2.169 103 HE1 TRP 14 1HE TRP 14 8.112 -5.635 -0.546 104 HE3 TRP 14 3HE TRP 14 5.059 -3.739 -4.483 105 HZ2 TRP 14 2HZ TRP 14 5.433 -6.472 -0.366 106 HZ3 TRP 14 3HZ TRP 14 3.117 -4.863 -3.555 107 HH2 TRP 14 HH TRP 14 3.280 -6.207 -1.528 108 H LEU 15 H LEU 15 9.313 -1.813 -6.381 109 HA LEU 15 HA LEU 15 10.289 0.615 -5.518 110 1HB LEU 15 2HB LEU 15 11.577 -1.178 -6.683 111 2HB LEU 15 1HB LEU 15 10.690 -0.835 -8.191 112 HG LEU 15 HG LEU 15 11.647 1.500 -8.183 113 1HD1 LEU 15 1HD1 LEU 15 13.247 0.458 -5.749 114 2HD1 LEU 15 2HD1 LEU 15 12.097 1.847 -5.764 115 3HD1 LEU 15 3HD1 LEU 15 13.642 1.950 -6.672 116 1HD2 LEU 15 1HD2 LEU 15 12.737 -0.334 -9.479 117 2HD2 LEU 15 2HD2 LEU 15 13.737 -0.759 -8.039 118 3HD2 LEU 15 3HD2 LEU 15 13.957 0.837 -8.845 119 H THR 16 H THR 16 8.357 -0.083 -8.408 120 HA THR 16 HA THR 16 8.319 2.449 -9.465 121 HB THR 16 HB THR 16 6.005 0.499 -9.640 122 HG1 THR 16 1HG THR 16 7.959 -0.413 -10.315 123 1HG2 THR 16 1HG2 THR 16 7.028 2.800 -11.457 124 2HG2 THR 16 2HG2 THR 16 5.475 2.810 -10.540 125 3HG2 THR 16 3HG2 THR 16 5.710 1.653 -11.886 126 H ILE 17 H ILE 17 5.853 1.092 -7.176 127 HA ILE 17 HA ILE 17 4.368 3.473 -7.194 128 HB ILE 17 HB ILE 17 4.428 1.216 -5.189 129 1HG1 ILE 17 2HG1 ILE 17 2.464 1.990 -7.431 130 2HG1 ILE 17 1HG1 ILE 17 3.710 0.721 -7.635 131 1HG2 ILE 17 1HG2 ILE 17 2.440 3.558 -5.535 132 2HG2 ILE 17 2HG2 ILE 17 3.539 3.299 -4.130 133 3HG2 ILE 17 3HG2 ILE 17 2.225 2.143 -4.444 134 1HD1 ILE 17 1HD1 ILE 17 2.624 -0.662 -5.859 135 2HD1 ILE 17 2HD1 ILE 17 1.487 -0.258 -7.188 136 3HD1 ILE 17 3HD1 ILE 17 1.366 0.607 -5.622 137 H GLU 18 H GLU 18 6.922 2.271 -4.995 138 HA GLU 18 HA GLU 18 6.780 4.384 -3.221 139 1HB GLU 18 2HB GLU 18 8.092 2.206 -2.980 140 2HB GLU 18 1HB GLU 18 9.334 2.935 -4.020 141 1HG GLU 18 2HG GLU 18 8.706 4.865 -1.924 142 2HG GLU 18 1HG GLU 18 8.890 3.265 -1.143 143 H GLU 19 H GLU 19 8.968 4.009 -6.047 144 HA GLU 19 HA GLU 19 10.141 6.487 -5.896 145 1HB GLU 19 2HB GLU 19 10.985 4.583 -7.171 146 2HB GLU 19 1HB GLU 19 9.655 4.707 -8.340 147 1HG GLU 19 2HG GLU 19 11.416 7.176 -7.869 148 2HG GLU 19 1HG GLU 19 12.149 5.773 -8.697 149 H ARG 20 H ARG 20 7.282 5.570 -7.880 150 HA ARG 20 HA ARG 20 7.025 8.007 -9.129 151 1HB ARG 20 2HB ARG 20 5.922 5.771 -9.683 152 2HB ARG 20 1HB ARG 20 4.762 6.120 -8.377 153 1HG ARG 20 2HG ARG 20 3.571 6.849 -10.153 154 2HG ARG 20 1HG ARG 20 4.360 8.399 -9.812 155 1HD ARG 20 2HD ARG 20 5.289 6.319 -11.935 156 2HD ARG 20 1HD ARG 20 4.224 7.738 -12.255 157 HE ARG 20 HE ARG 20 6.075 9.224 -11.471 158 1HH1 ARG 20 1HH1 ARG 20 7.291 5.952 -12.402 159 2HH1 ARG 20 2HH1 ARG 20 8.799 6.314 -11.574 160 1HH2 ARG 20 1HH2 ARG 20 8.039 9.638 -10.922 161 2HH2 ARG 20 2HH2 ARG 20 9.296 8.435 -10.935 162 H LEU 21 H LEU 21 5.743 7.006 -5.965 163 HA LEU 21 HA LEU 21 4.425 9.555 -5.733 164 1HB LEU 21 2HB LEU 21 3.425 7.401 -5.103 165 2HB LEU 21 1HB LEU 21 4.611 7.210 -3.792 166 HG LEU 21 HG LEU 21 3.590 8.868 -2.482 167 1HD1 LEU 21 1HD1 LEU 21 3.409 10.833 -3.950 168 2HD1 LEU 21 2HD1 LEU 21 1.758 10.461 -3.343 169 3HD1 LEU 21 3HD1 LEU 21 2.230 9.985 -5.017 170 1HD2 LEU 21 1HD2 LEU 21 1.192 7.815 -4.111 171 2HD2 LEU 21 2HD2 LEU 21 1.222 8.273 -2.368 172 3HD2 LEU 21 3HD2 LEU 21 2.128 6.808 -2.939 173 H ASP 22 H ASP 22 7.346 8.040 -4.276 174 HA ASP 22 HA ASP 22 7.940 10.103 -2.562 175 1HB ASP 22 2HB ASP 22 8.914 7.814 -2.554 176 2HB ASP 22 1HB ASP 22 9.774 8.174 -4.088 177 H ASP 23 H ASP 23 8.403 9.894 -6.045 178 HA ASP 23 HA ASP 23 10.119 11.998 -6.460 179 1HB ASP 23 2HB ASP 23 9.232 10.241 -8.083 180 2HB ASP 23 1HB ASP 23 7.640 11.070 -8.041 181 H TRP 24 H TRP 24 6.678 12.064 -5.615 182 HA TRP 24 HA TRP 24 6.324 14.651 -6.774 183 1HB TRP 24 2HB TRP 24 4.663 12.810 -6.978 184 2HB TRP 24 1HB TRP 24 4.400 12.877 -5.212 185 HD1 TRP 24 HD TRP 24 3.888 15.145 -8.392 186 HE1 TRP 24 1HE TRP 24 1.954 16.781 -7.862 187 HE3 TRP 24 3HE TRP 24 3.240 14.024 -3.489 188 HZ2 TRP 24 2HZ TRP 24 0.456 17.547 -5.603 189 HZ3 TRP 24 3HZ TRP 24 1.575 15.270 -2.193 190 HH2 TRP 24 HH TRP 24 0.212 16.993 -3.229 191 H ASP 25 H ASP 25 5.979 16.576 -5.814 192 HA ASP 25 HA ASP 25 6.072 16.684 -2.889 193 1HB ASP 25 2HB ASP 25 8.355 17.064 -4.050 194 2HB ASP 25 1HB ASP 25 7.658 18.557 -4.761 195 H GLY 26 H GLY 26 4.561 17.989 -2.043 196 1HA GLY 26 2HA GLY 26 3.277 19.996 -3.784 197 2HA GLY 26 1HA GLY 26 2.407 18.907 -2.648 198 H ASP 27 H ASP 27 1.569 20.662 -1.342 199 HA ASP 27 HA ASP 27 3.540 22.045 0.272 200 1HB ASP 27 2HB ASP 27 0.545 22.091 -0.299 201 2HB ASP 27 1HB ASP 27 1.098 22.649 1.315 202 H SER 28 H SER 28 1.477 19.210 0.249 203 HA SER 28 HA SER 28 2.272 18.465 2.927 204 1HB SER 28 2HB SER 28 1.072 16.371 2.497 205 2HB SER 28 1HB SER 28 0.056 17.792 2.136 206 HG SER 28 HG SER 28 0.345 17.465 -0.014 207 H ASP 29 H ASP 29 3.380 16.337 3.285 208 HA ASP 29 HA ASP 29 5.423 15.845 1.253 209 1HB ASP 29 2HB ASP 29 6.131 17.122 3.352 210 2HB ASP 29 1HB ASP 29 5.765 15.643 4.294 211 H ILE 30 H ILE 30 6.391 13.447 2.087 212 HA ILE 30 HA ILE 30 4.248 11.626 2.120 213 HB ILE 30 HB ILE 30 3.779 12.633 -0.002 214 1HG1 ILE 30 2HG1 ILE 30 3.993 10.677 -1.502 215 2HG1 ILE 30 1HG1 ILE 30 4.970 9.814 -0.285 216 1HG2 ILE 30 1HG2 ILE 30 6.621 11.868 -0.898 217 2HG2 ILE 30 2HG2 ILE 30 6.038 13.541 -0.560 218 3HG2 ILE 30 3HG2 ILE 30 5.323 12.585 -1.899 219 1HD1 ILE 30 1HD1 ILE 30 2.469 9.224 -0.285 220 2HD1 ILE 30 2HD1 ILE 30 2.105 10.910 0.211 221 3HD1 ILE 30 3HD1 ILE 30 3.039 9.829 1.312 222 H ASP 31 H ASP 31 5.047 10.039 3.110 223 HA ASP 31 HA ASP 31 7.895 9.329 2.819 224 1HB ASP 31 2HB ASP 31 7.196 10.862 4.730 225 2HB ASP 31 1HB ASP 31 6.126 9.561 5.335 226 H CYS 32 H CYS 32 7.724 7.370 1.666 227 HA CYS 32 HA CYS 32 5.739 5.465 2.558 228 1HB CYS 32 2HB CYS 32 6.472 5.681 0.086 229 2HB CYS 32 1HB CYS 32 8.018 5.057 0.635 230 HG CYS 32 HG CYS 32 7.016 2.746 1.542 231 H GLU 33 H GLU 33 5.997 3.755 3.865 232 HA GLU 33 HA GLU 33 8.549 3.333 5.165 233 1HB GLU 33 2HB GLU 33 5.915 1.800 5.369 234 2HB GLU 33 1HB GLU 33 7.366 1.492 6.363 235 1HG GLU 33 2HG GLU 33 7.182 3.892 7.239 236 2HG GLU 33 1HG GLU 33 5.550 3.980 6.472 237 H ILE 34 H ILE 34 9.874 1.634 4.834 238 HA ILE 34 HA ILE 34 9.023 -0.518 3.049 239 HB ILE 34 HB ILE 34 11.865 0.070 3.825 240 1HG1 ILE 34 2HG1 ILE 34 11.202 2.140 2.739 241 2HG1 ILE 34 1HG1 ILE 34 12.338 1.188 1.766 242 1HG2 ILE 34 1HG2 ILE 34 12.347 -1.300 1.802 243 2HG2 ILE 34 2HG2 ILE 34 10.585 -1.510 1.507 244 3HG2 ILE 34 3HG2 ILE 34 11.346 -2.199 2.991 245 1HD1 ILE 34 1HD1 ILE 34 9.305 1.460 1.244 246 2HD1 ILE 34 2HD1 ILE 34 10.434 0.429 0.276 247 3HD1 ILE 34 3HD1 ILE 34 10.645 2.210 0.312 248 H ASN 35 H ASN 35 8.201 -1.857 4.426 249 HA ASN 35 HA ASN 35 9.644 -2.563 6.912 250 1HB ASN 35 2HB ASN 35 7.528 -1.257 7.227 251 2HB ASN 35 1HB ASN 35 6.622 -2.506 6.338 252 1HD2 ASN 35 1HD2 ASN 35 6.418 -4.646 7.404 253 2HD2 ASN 35 2HD2 ASN 35 6.346 -4.671 9.148 254 H GLY 36 H GLY 36 10.791 -3.981 5.246 255 1HA GLY 36 2HA GLY 36 11.247 -6.001 4.562 256 2HA GLY 36 1HA GLY 36 9.951 -6.585 5.654 257 H GLY 37 H GLY 37 7.890 -6.902 4.823 258 1HA GLY 37 2HA GLY 37 7.754 -7.250 1.890 259 2HA GLY 37 1HA GLY 37 6.986 -8.305 3.123 260 H VAL 38 H VAL 38 6.741 -5.177 4.226 261 HA VAL 38 HA VAL 38 4.155 -4.742 2.903 262 HB VAL 38 HB VAL 38 5.013 -3.911 5.698 263 1HG1 VAL 38 1HG1 VAL 38 3.330 -2.366 4.692 264 2HG1 VAL 38 2HG1 VAL 38 2.546 -3.405 5.925 265 3HG1 VAL 38 3HG1 VAL 38 2.322 -3.771 4.175 266 1HG2 VAL 38 1HG2 VAL 38 3.216 -6.225 4.750 267 2HG2 VAL 38 2HG2 VAL 38 3.319 -5.632 6.449 268 3HG2 VAL 38 3HG2 VAL 38 4.760 -6.369 5.669 269 H LEU 39 H LEU 39 4.024 -2.781 1.768 270 HA LEU 39 HA LEU 39 5.913 -0.696 2.566 271 1HB LEU 39 2HB LEU 39 4.405 -1.156 -0.061 272 2HB LEU 39 1HB LEU 39 5.384 0.282 0.285 273 HG LEU 39 HG LEU 39 6.356 -2.603 -0.063 274 1HD1 LEU 39 1HD1 LEU 39 5.948 -1.292 -2.158 275 2HD1 LEU 39 2HD1 LEU 39 7.723 -1.542 -1.911 276 3HD1 LEU 39 3HD1 LEU 39 6.987 0.057 -1.526 277 1HD2 LEU 39 1HD2 LEU 39 7.978 -0.181 0.907 278 2HD2 LEU 39 2HD2 LEU 39 8.708 -1.690 0.230 279 3HD2 LEU 39 3HD2 LEU 39 7.750 -1.764 1.750 280 H THR 40 H THR 40 5.049 1.042 3.469 281 HA THR 40 HA THR 40 2.126 1.390 3.248 282 HB THR 40 HB THR 40 2.738 2.357 5.769 283 HG1 THR 40 1HG THR 40 4.160 1.182 6.633 284 1HG2 THR 40 1HG2 THR 40 1.429 0.318 6.524 285 2HG2 THR 40 2HG2 THR 40 1.691 -0.433 4.911 286 3HG2 THR 40 3HG2 THR 40 0.690 1.064 5.053 287 H ILE 41 H ILE 41 1.630 3.116 2.312 288 HA ILE 41 HA ILE 41 3.720 5.104 2.009 289 HB ILE 41 HB ILE 41 0.999 4.841 0.728 290 1HG1 ILE 41 2HG1 ILE 41 3.760 4.193 -0.442 291 2HG1 ILE 41 1HG1 ILE 41 2.656 2.954 0.228 292 1HG2 ILE 41 1HG2 ILE 41 1.853 7.218 0.761 293 2HG2 ILE 41 2HG2 ILE 41 1.862 6.524 -0.881 294 3HG2 ILE 41 3HG2 ILE 41 3.412 6.658 0.034 295 1HD1 ILE 41 1HD1 ILE 41 2.369 2.961 -2.166 296 2HD1 ILE 41 2HD1 ILE 41 2.099 4.737 -2.215 297 3HD1 ILE 41 3HD1 ILE 41 0.878 3.657 -1.444 298 H THR 42 H THR 42 3.833 6.788 3.388 299 HA THR 42 HA THR 42 1.383 7.384 4.907 300 HB THR 42 HB THR 42 4.175 8.054 5.811 301 HG1 THR 42 1HG THR 42 3.848 5.791 5.449 302 1HG2 THR 42 1HG2 THR 42 1.456 7.610 7.233 303 2HG2 THR 42 2HG2 THR 42 2.244 9.215 6.964 304 3HG2 THR 42 3HG2 THR 42 3.012 8.002 8.042 305 H PHE 43 H PHE 43 0.496 9.385 4.830 306 HA PHE 43 HA PHE 43 1.983 11.479 3.384 307 1HB PHE 43 2HB PHE 43 -1.038 11.250 3.852 308 2HB PHE 43 1HB PHE 43 -0.181 12.377 2.762 309 HD1 PHE 43 1HD PHE 43 -0.534 11.951 0.571 310 HD2 PHE 43 2HD PHE 43 -0.592 8.640 3.248 311 HE1 PHE 43 1HE PHE 43 -1.372 10.511 -1.207 312 HE2 PHE 43 2HE PHE 43 -1.486 7.239 1.521 313 HZ PHE 43 HZ PHE 43 -1.931 8.144 -0.712 314 H GLU 44 H GLU 44 1.943 13.626 4.339 315 HA GLU 44 HA GLU 44 1.634 13.735 7.084 316 1HB GLU 44 2HB GLU 44 1.921 15.811 4.864 317 2HB GLU 44 1HB GLU 44 1.702 16.251 6.568 318 1HG GLU 44 2HG GLU 44 3.682 14.284 6.819 319 2HG GLU 44 1HG GLU 44 4.080 14.930 5.198 320 H ASN 45 H ASN 45 -0.802 14.183 4.645 321 HA ASN 45 HA ASN 45 -2.670 15.518 6.150 322 1HB ASN 45 2HB ASN 45 -3.153 13.195 4.183 323 2HB ASN 45 1HB ASN 45 -4.401 14.365 4.740 324 1HD2 ASN 45 1HD2 ASN 45 -4.708 14.635 2.421 325 2HD2 ASN 45 2HD2 ASN 45 -3.718 15.783 1.579 326 H GLY 46 H GLY 46 -1.436 12.383 6.820 327 1HA GLY 46 2HA GLY 46 -1.945 11.252 8.732 328 2HA GLY 46 1HA GLY 46 -3.621 11.899 8.712 329 H SER 47 H SER 47 -3.048 11.230 5.690 330 HA SER 47 HA SER 47 -4.589 8.907 5.461 331 1HB SER 47 2HB SER 47 -2.874 10.561 3.508 332 2HB SER 47 1HB SER 47 -4.016 9.297 2.983 333 HG SER 47 HG SER 47 -4.842 11.493 3.013 334 H LYS 48 H LYS 48 -3.891 7.014 3.914 335 HA LYS 48 HA LYS 48 -1.215 6.197 4.206 336 1HB LYS 48 2HB LYS 48 -2.099 6.157 6.610 337 2HB LYS 48 1HB LYS 48 -3.249 4.902 6.106 338 1HG LYS 48 2HG LYS 48 -1.311 3.404 5.519 339 2HG LYS 48 1HG LYS 48 -0.166 4.727 5.919 340 1HD LYS 48 2HD LYS 48 -1.013 4.798 8.249 341 2HD LYS 48 1HD LYS 48 -2.219 3.527 7.867 342 1HE LYS 48 2HE LYS 48 -0.385 1.870 7.416 343 2HE LYS 48 1HE LYS 48 0.858 3.146 7.731 344 1HZ LYS 48 1HZ LYS 48 0.174 3.276 9.974 345 2HZ LYS 48 2HZ LYS 48 0.414 1.653 9.588 346 3HZ LYS 48 3HZ LYS 48 -1.166 2.257 9.737 347 H ILE 49 H ILE 49 -0.783 4.566 2.818 348 HA ILE 49 HA ILE 49 -3.017 2.895 1.875 349 HB ILE 49 HB ILE 49 -0.377 3.134 0.443 350 1HG1 ILE 49 2HG1 ILE 49 -1.021 5.391 0.634 351 2HG1 ILE 49 1HG1 ILE 49 -1.189 4.815 -1.043 352 1HG2 ILE 49 1HG2 ILE 49 -1.844 1.262 -0.236 353 2HG2 ILE 49 2HG2 ILE 49 -1.819 2.521 -1.516 354 3HG2 ILE 49 3HG2 ILE 49 -3.240 2.384 -0.412 355 1HD1 ILE 49 1HD1 ILE 49 -3.665 4.638 -0.841 356 2HD1 ILE 49 2HD1 ILE 49 -3.112 6.306 -0.476 357 3HD1 ILE 49 3HD1 ILE 49 -3.597 5.211 0.863 358 H ILE 50 H ILE 50 -2.673 0.637 1.869 359 HA ILE 50 HA ILE 50 -0.285 -0.289 3.297 360 HB ILE 50 HB ILE 50 -2.871 -1.775 3.179 361 1HG1 ILE 50 2HG1 ILE 50 -3.588 0.424 4.016 362 2HG1 ILE 50 1HG1 ILE 50 -3.707 -0.914 5.165 363 1HG2 ILE 50 1HG2 ILE 50 -0.549 -1.712 5.197 364 2HG2 ILE 50 2HG2 ILE 50 -0.876 -2.987 3.956 365 3HG2 ILE 50 3HG2 ILE 50 -2.042 -2.715 5.304 366 1HD1 ILE 50 1HD1 ILE 50 -1.644 -0.089 6.377 367 2HD1 ILE 50 2HD1 ILE 50 -2.882 1.215 6.253 368 3HD1 ILE 50 3HD1 ILE 50 -1.455 1.223 5.157 369 H ILE 51 H ILE 51 1.005 -1.435 1.910 370 HA ILE 51 HA ILE 51 -0.304 -3.129 -0.106 371 HB ILE 51 HB ILE 51 2.362 -1.779 -0.437 372 1HG1 ILE 51 2HG1 ILE 51 -0.502 -0.943 -1.053 373 2HG1 ILE 51 1HG1 ILE 51 0.764 -0.014 -0.242 374 1HG2 ILE 51 1HG2 ILE 51 2.027 -2.508 -2.784 375 2HG2 ILE 51 2HG2 ILE 51 0.405 -3.180 -2.386 376 3HG2 ILE 51 3HG2 ILE 51 1.905 -3.940 -1.727 377 1HD1 ILE 51 1HD1 ILE 51 2.060 0.072 -2.460 378 2HD1 ILE 51 2HD1 ILE 51 0.436 0.873 -2.550 379 3HD1 ILE 51 3HD1 ILE 51 0.677 -0.778 -3.239 380 H ASN 52 H ASN 52 0.067 -5.145 -0.049 381 HA ASN 52 HA ASN 52 2.479 -6.357 0.797 382 1HB ASN 52 2HB ASN 52 1.339 -5.839 2.979 383 2HB ASN 52 1HB ASN 52 -0.058 -6.862 2.485 384 1HD2 ASN 52 1HD2 ASN 52 0.707 -7.641 4.720 385 2HD2 ASN 52 2HD2 ASN 52 1.924 -8.887 4.773 386 H ARG 53 H ARG 53 2.113 -8.785 0.664 387 HA ARG 53 HA ARG 53 0.499 -9.324 -1.730 388 1HB ARG 53 2HB ARG 53 2.719 -10.406 -2.481 389 2HB ARG 53 1HB ARG 53 2.567 -8.591 -2.471 390 1HG ARG 53 2HG ARG 53 3.904 -8.421 -0.450 391 2HG ARG 53 1HG ARG 53 3.928 -10.185 -0.217 392 1HD ARG 53 2HD ARG 53 5.149 -8.814 -2.712 393 2HD ARG 53 1HD ARG 53 6.047 -9.015 -1.151 394 HE ARG 53 HE ARG 53 5.070 -11.550 -1.580 395 1HH1 ARG 53 1HH1 ARG 53 7.538 -9.386 -2.998 396 2HH1 ARG 53 2HH1 ARG 53 8.600 -10.671 -3.312 397 1HH2 ARG 53 1HH2 ARG 53 6.260 -13.245 -2.424 398 2HH2 ARG 53 2HH2 ARG 53 7.892 -12.948 -2.863 399 H GLN 54 H GLN 54 -0.218 -11.475 -2.060 400 HA GLN 54 HA GLN 54 0.332 -13.306 0.150 401 1HB GLN 54 2HB GLN 54 -2.226 -12.421 -1.283 402 2HB GLN 54 1HB GLN 54 -2.143 -13.962 -0.404 403 1HG GLN 54 2HG GLN 54 -1.667 -11.156 0.799 404 2HG GLN 54 1HG GLN 54 -3.207 -12.071 0.881 405 1HE2 GLN 54 1HE2 GLN 54 0.251 -12.135 1.910 406 2HE2 GLN 54 2HE2 GLN 54 -0.078 -12.941 3.424 407 H GLU 55 H GLU 55 -1.349 -13.444 -3.058 408 HA GLU 55 HA GLU 55 -0.859 -16.166 -2.952 409 1HB GLU 55 2HB GLU 55 -1.776 -14.601 -5.387 410 2HB GLU 55 1HB GLU 55 -1.926 -16.360 -5.145 411 1HG GLU 55 2HG GLU 55 -3.356 -14.198 -3.461 412 2HG GLU 55 1HG GLU 55 -4.052 -15.125 -4.830 413 HA PRO 56 HA PRO 56 3.070 -15.730 -5.023 414 1HB PRO 56 2HB PRO 56 4.084 -18.242 -4.768 415 2HB PRO 56 1HB PRO 56 3.640 -17.293 -3.310 416 1HG PRO 56 2HG PRO 56 1.837 -19.348 -4.740 417 2HG PRO 56 1HG PRO 56 2.349 -19.355 -2.996 418 1HD PRO 56 2HD PRO 56 -0.022 -18.150 -3.828 419 2HD PRO 56 1HD PRO 56 1.000 -17.435 -2.493 420 H LEU 57 H LEU 57 0.770 -15.908 -6.635 421 HA LEU 57 HA LEU 57 1.816 -17.305 -9.001 422 1HB LEU 57 2HB LEU 57 -1.101 -16.465 -8.491 423 2HB LEU 57 1HB LEU 57 -0.459 -17.252 -9.983 424 HG LEU 57 HG LEU 57 -0.433 -18.307 -7.146 425 1HD1 LEU 57 1HD1 LEU 57 -2.772 -18.102 -8.015 426 2HD1 LEU 57 2HD1 LEU 57 -2.322 -19.840 -7.806 427 3HD1 LEU 57 3HD1 LEU 57 -2.336 -19.103 -9.450 428 1HD2 LEU 57 1HD2 LEU 57 0.019 -20.601 -8.178 429 2HD2 LEU 57 2HD2 LEU 57 1.356 -19.434 -8.460 430 3HD2 LEU 57 3HD2 LEU 57 0.186 -19.806 -9.786 431 H HIS 58 H HIS 58 -0.668 -15.017 -9.195 432 HA HIS 58 HA HIS 58 1.138 -12.699 -9.335 433 1HB HIS 58 2HB HIS 58 -1.105 -13.328 -11.340 434 2HB HIS 58 1HB HIS 58 -0.169 -11.787 -11.283 435 HD1 HIS 58 1HD HIS 58 -0.289 -13.451 -13.821 436 HD2 HIS 58 2HD HIS 58 2.718 -13.857 -10.933 437 HE1 HIS 58 1HE HIS 58 1.714 -14.435 -14.992 438 H GLN 59 H GLN 59 0.006 -12.384 -6.992 439 HA GLN 59 HA GLN 59 -2.149 -10.572 -7.580 440 1HB GLN 59 2HB GLN 59 -3.164 -12.950 -7.061 441 2HB GLN 59 1HB GLN 59 -2.565 -12.610 -5.396 442 1HG GLN 59 2HG GLN 59 -3.992 -10.473 -5.393 443 2HG GLN 59 1HG GLN 59 -4.709 -11.047 -6.941 444 1HE2 GLN 59 1HE2 GLN 59 -4.731 -11.373 -3.451 445 2HE2 GLN 59 2HE2 GLN 59 -5.882 -12.676 -3.381 446 H VAL 60 H VAL 60 -2.139 -8.861 -6.298 447 HA VAL 60 HA VAL 60 -0.827 -8.983 -3.682 448 HB VAL 60 HB VAL 60 -0.293 -7.031 -5.925 449 1HG1 VAL 60 1HG1 VAL 60 -0.183 -5.763 -3.738 450 2HG1 VAL 60 2HG1 VAL 60 1.446 -6.019 -4.422 451 3HG1 VAL 60 3HG1 VAL 60 0.899 -7.053 -3.059 452 1HG2 VAL 60 1HG2 VAL 60 1.412 -9.193 -4.535 453 2HG2 VAL 60 2HG2 VAL 60 2.132 -7.891 -5.556 454 3HG2 VAL 60 3HG2 VAL 60 0.992 -9.082 -6.280 455 H TRP 61 H TRP 61 -1.518 -6.944 -2.334 456 HA TRP 61 HA TRP 61 -4.214 -6.256 -3.161 457 1HB TRP 61 2HB TRP 61 -4.925 -6.083 -1.040 458 2HB TRP 61 1HB TRP 61 -4.026 -7.624 -1.076 459 HD1 TRP 61 HD TRP 61 -1.437 -5.071 -0.446 460 HE1 TRP 61 1HE TRP 61 -1.570 -4.029 1.908 461 HE3 TRP 61 3HE TRP 61 -5.540 -7.476 1.236 462 HZ2 TRP 61 2HZ TRP 61 -2.839 -4.739 4.371 463 HZ3 TRP 61 3HZ TRP 61 -6.127 -7.325 3.607 464 HH2 TRP 61 HH TRP 61 -4.811 -5.971 5.147 465 H LEU 62 H LEU 62 -5.077 -4.159 -2.865 466 HA LEU 62 HA LEU 62 -3.126 -2.129 -2.039 467 1HB LEU 62 2HB LEU 62 -5.390 -1.987 -4.108 468 2HB LEU 62 1HB LEU 62 -4.622 -0.526 -3.392 469 HG LEU 62 HG LEU 62 -3.251 -2.627 -5.141 470 1HD1 LEU 62 1HD1 LEU 62 -4.841 -1.194 -6.405 471 2HD1 LEU 62 2HD1 LEU 62 -3.134 -0.784 -6.825 472 3HD1 LEU 62 3HD1 LEU 62 -4.067 0.291 -5.723 473 1HD2 LEU 62 1HD2 LEU 62 -2.127 -0.017 -3.932 474 2HD2 LEU 62 2HD2 LEU 62 -1.316 -1.011 -5.202 475 3HD2 LEU 62 3HD2 LEU 62 -1.586 -1.699 -3.564 476 H ALA 63 H ALA 63 -3.790 -2.166 0.178 477 HA ALA 63 HA ALA 63 -6.645 -1.674 0.590 478 1HB ALA 63 1HB ALA 63 -5.904 -3.512 1.923 479 2HB ALA 63 2HB ALA 63 -6.111 -2.098 3.019 480 3HB ALA 63 3HB ALA 63 -4.461 -2.624 2.481 481 H THR 64 H THR 64 -7.314 0.194 1.667 482 HA THR 64 HA THR 64 -5.457 2.412 1.599 483 HB THR 64 HB THR 64 -5.776 1.756 -0.736 484 HG1 THR 64 1HG THR 64 -5.602 3.667 -1.272 485 1HG2 THR 64 1HG2 THR 64 -7.838 2.268 -1.925 486 2HG2 THR 64 2HG2 THR 64 -8.667 2.809 -0.428 487 3HG2 THR 64 3HG2 THR 64 -8.197 1.072 -0.628 488 H LYS 65 H LYS 65 -7.350 4.351 0.986 489 HA LYS 65 HA LYS 65 -8.397 4.977 3.436 490 1HB LYS 65 2HB LYS 65 -7.934 6.572 1.657 491 2HB LYS 65 1HB LYS 65 -9.287 5.974 0.683 492 1HG LYS 65 2HG LYS 65 -9.734 8.109 1.879 493 2HG LYS 65 1HG LYS 65 -10.935 6.842 2.274 494 1HD LYS 65 2HD LYS 65 -9.975 6.499 4.477 495 2HD LYS 65 1HD LYS 65 -8.512 7.428 4.062 496 1HE LYS 65 2HE LYS 65 -9.990 9.521 3.823 497 2HE LYS 65 1HE LYS 65 -11.374 8.535 4.435 498 1HZ LYS 65 1HZ LYS 65 -9.880 8.048 6.410 499 2HZ LYS 65 2HZ LYS 65 -10.454 9.622 6.261 500 3HZ LYS 65 3HZ LYS 65 -8.864 9.290 5.849 501 H GLN 66 H GLN 66 -10.345 4.068 0.553 502 HA GLN 66 HA GLN 66 -12.736 4.035 2.047 503 1HB GLN 66 2HB GLN 66 -12.375 4.764 -0.327 504 2HB GLN 66 1HB GLN 66 -11.974 3.082 -0.760 505 1HG GLN 66 2HG GLN 66 -14.367 2.411 -0.071 506 2HG GLN 66 1HG GLN 66 -14.728 4.155 0.191 507 1HE2 GLN 66 1HE2 GLN 66 -14.431 5.625 -1.755 508 2HE2 GLN 66 2HE2 GLN 66 -14.702 4.929 -3.322 509 H GLY 67 H GLY 67 -10.369 1.659 1.313 510 1HA GLY 67 2HA GLY 67 -10.992 -0.323 2.899 511 2HA GLY 67 1HA GLY 67 -12.138 -0.626 1.529 512 H GLY 68 H GLY 68 -11.044 -0.296 -0.680 513 1HA GLY 68 2HA GLY 68 -9.478 -0.846 -2.145 514 2HA GLY 68 1HA GLY 68 -8.338 -1.233 -0.818 515 H TYR 69 H TYR 69 -8.017 -2.832 -2.816 516 HA TYR 69 HA TYR 69 -9.316 -5.310 -2.253 517 1HB TYR 69 2HB TYR 69 -10.638 -3.505 -4.037 518 2HB TYR 69 1HB TYR 69 -9.850 -4.702 -5.111 519 HD1 TYR 69 1HD TYR 69 -10.468 -6.996 -4.988 520 HD2 TYR 69 2HD TYR 69 -12.287 -4.191 -2.380 521 HE1 TYR 69 1HE TYR 69 -12.309 -8.583 -4.574 522 HE2 TYR 69 2HE TYR 69 -14.109 -5.764 -1.945 523 HH TYR 69 HH TYR 69 -14.766 -7.965 -2.177 524 H HIS 70 H HIS 70 -8.503 -7.088 -3.679 525 HA HIS 70 HA HIS 70 -5.776 -6.557 -4.288 526 1HB HIS 70 2HB HIS 70 -5.422 -8.864 -4.611 527 2HB HIS 70 1HB HIS 70 -6.381 -8.581 -3.139 528 HD1 HIS 70 1HD HIS 70 -7.105 -9.851 -6.822 529 HD2 HIS 70 2HD HIS 70 -8.466 -10.216 -2.845 530 HE1 HIS 70 1HE HIS 70 -8.807 -11.570 -6.816 531 H PHE 71 H PHE 71 -4.607 -7.256 -6.116 532 HA PHE 71 HA PHE 71 -6.083 -6.675 -8.559 533 1HB PHE 71 2HB PHE 71 -4.242 -5.402 -9.392 534 2HB PHE 71 1HB PHE 71 -4.922 -4.747 -7.855 535 HD1 PHE 71 1HD PHE 71 -1.998 -5.628 -9.587 536 HD2 PHE 71 2HD PHE 71 -3.667 -4.902 -5.764 537 HE1 PHE 71 1HE PHE 71 0.210 -5.009 -8.769 538 HE2 PHE 71 2HE PHE 71 -1.463 -4.202 -4.942 539 HZ PHE 71 HZ PHE 71 0.477 -4.261 -6.424 540 H ASP 72 H ASP 72 -5.844 -7.777 -10.301 541 HA ASP 72 HA ASP 72 -3.850 -9.927 -10.369 542 1HB ASP 72 2HB ASP 72 -6.747 -10.110 -11.382 543 2HB ASP 72 1HB ASP 72 -5.504 -11.400 -11.413 544 H LEU 73 H LEU 73 -3.207 -10.476 -12.520 545 HA LEU 73 HA LEU 73 -3.131 -8.062 -14.137 546 1HB LEU 73 2HB LEU 73 -1.236 -9.720 -13.332 547 2HB LEU 73 1HB LEU 73 -1.654 -10.620 -14.809 548 HG LEU 73 HG LEU 73 -0.763 -7.679 -14.562 549 1HD1 LEU 73 1HD1 LEU 73 0.730 -10.162 -15.619 550 2HD1 LEU 73 2HD1 LEU 73 1.028 -9.318 -14.050 551 3HD1 LEU 73 3HD1 LEU 73 1.357 -8.470 -15.604 552 1HD2 LEU 73 1HD2 LEU 73 -1.309 -9.306 -17.124 553 2HD2 LEU 73 2HD2 LEU 73 -0.457 -7.723 -17.058 554 3HD2 LEU 73 3HD2 LEU 73 -2.180 -7.815 -16.573 555 H LYS 74 H LYS 74 -4.755 -7.678 -15.649 556 HA LYS 74 HA LYS 74 -5.575 -9.986 -17.254 557 1HB LYS 74 2HB LYS 74 -6.861 -7.374 -16.399 558 2HB LYS 74 1HB LYS 74 -7.605 -8.448 -17.628 559 1HG LYS 74 2HG LYS 74 -7.023 -9.216 -14.706 560 2HG LYS 74 1HG LYS 74 -8.606 -8.713 -15.359 561 1HD LYS 74 2HD LYS 74 -8.679 -10.705 -16.846 562 2HD LYS 74 1HD LYS 74 -7.050 -11.194 -16.287 563 1HE LYS 74 2HE LYS 74 -8.611 -12.572 -15.114 564 2HE LYS 74 1HE LYS 74 -7.940 -11.398 -13.916 565 1HZ LYS 74 1HZ LYS 74 -10.265 -10.278 -15.059 566 2HZ LYS 74 2HZ LYS 74 -10.008 -10.810 -13.475 567 3HZ LYS 74 3HZ LYS 74 -10.623 -11.850 -14.641 568 H GLY 75 H GLY 75 -3.453 -9.583 -18.436 569 1HA GLY 75 2HA GLY 75 -2.953 -9.242 -20.586 570 2HA GLY 75 1HA GLY 75 -4.128 -7.899 -20.711 571 H ASP 76 H ASP 76 -3.441 -5.829 -20.352 572 HA ASP 76 HA ASP 76 -0.590 -5.457 -19.711 573 1HB ASP 76 2HB ASP 76 -2.509 -3.977 -21.605 574 2HB ASP 76 1HB ASP 76 -0.909 -3.302 -21.103 575 H GLU 77 H GLU 77 -3.278 -5.435 -17.975 576 HA GLU 77 HA GLU 77 -2.392 -3.265 -16.359 577 1HB GLU 77 2HB GLU 77 -3.912 -2.068 -17.979 578 2HB GLU 77 1HB GLU 77 -5.209 -3.206 -17.531 579 1HG GLU 77 2HG GLU 77 -5.510 -1.055 -16.381 580 2HG GLU 77 1HG GLU 77 -5.153 -2.321 -15.165 581 H TRP 78 H TRP 78 -3.113 -3.540 -14.261 582 HA TRP 78 HA TRP 78 -4.115 -6.251 -13.799 583 1HB TRP 78 2HB TRP 78 -2.892 -4.349 -11.747 584 2HB TRP 78 1HB TRP 78 -3.508 -5.998 -11.473 585 HD1 TRP 78 HD TRP 78 -0.748 -4.333 -13.786 586 HE1 TRP 78 1HE TRP 78 1.442 -5.588 -13.315 587 HE3 TRP 78 3HE TRP 78 -2.530 -7.804 -10.556 588 HZ2 TRP 78 2HZ TRP 78 2.300 -7.677 -11.630 589 HZ3 TRP 78 3HZ TRP 78 -0.977 -9.329 -9.465 590 HH2 TRP 78 HH TRP 78 1.398 -9.245 -9.936 591 H ILE 79 H ILE 79 -6.154 -6.585 -13.300 592 HA ILE 79 HA ILE 79 -7.954 -4.362 -12.918 593 HB ILE 79 HB ILE 79 -7.990 -7.221 -13.755 594 1HG1 ILE 79 2HG1 ILE 79 -8.867 -4.489 -14.706 595 2HG1 ILE 79 1HG1 ILE 79 -7.768 -5.633 -15.484 596 1HG2 ILE 79 1HG2 ILE 79 -10.494 -7.357 -13.638 597 2HG2 ILE 79 2HG2 ILE 79 -10.485 -5.950 -12.512 598 3HG2 ILE 79 3HG2 ILE 79 -9.647 -7.473 -12.079 599 1HD1 ILE 79 1HD1 ILE 79 -9.755 -7.104 -16.110 600 2HD1 ILE 79 2HD1 ILE 79 -9.872 -5.443 -16.780 601 3HD1 ILE 79 3HD1 ILE 79 -10.855 -5.899 -15.350 602 H CYS 80 H CYS 80 -9.116 -4.010 -11.182 603 HA CYS 80 HA CYS 80 -8.138 -5.223 -8.789 604 1HB CYS 80 2HB CYS 80 -10.122 -2.982 -9.270 605 2HB CYS 80 1HB CYS 80 -10.105 -3.768 -7.681 606 HG CYS 80 HG CYS 80 -7.491 -3.444 -7.287 607 H ASP 81 H ASP 81 -9.489 -6.782 -7.524 608 HA ASP 81 HA ASP 81 -11.487 -8.015 -9.062 609 1HB ASP 81 2HB ASP 81 -9.763 -9.148 -7.739 610 2HB ASP 81 1HB ASP 81 -10.560 -8.655 -6.218 611 H ARG 82 H ARG 82 -11.885 -5.277 -7.261 612 HA ARG 82 HA ARG 82 -14.578 -5.891 -6.397 613 1HB ARG 82 2HB ARG 82 -14.714 -3.583 -5.703 614 2HB ARG 82 1HB ARG 82 -13.221 -4.288 -5.095 615 1HG ARG 82 2HG ARG 82 -11.880 -2.824 -6.252 616 2HG ARG 82 1HG ARG 82 -12.867 -2.932 -7.744 617 1HD ARG 82 2HD ARG 82 -14.638 -1.502 -6.515 618 2HD ARG 82 1HD ARG 82 -13.369 -1.169 -5.268 619 HE ARG 82 HE ARG 82 -12.418 -0.689 -8.024 620 1HH1 ARG 82 1HH1 ARG 82 -14.757 0.643 -5.680 621 2HH1 ARG 82 2HH1 ARG 82 -14.794 2.173 -6.478 622 1HH2 ARG 82 1HH2 ARG 82 -12.389 1.499 -8.911 623 2HH2 ARG 82 2HH2 ARG 82 -13.303 2.712 -8.124 624 H SER 83 H SER 83 -16.376 -4.233 -7.162 625 HA SER 83 HA SER 83 -16.465 -4.199 -9.987 626 1HB SER 83 2HB SER 83 -18.242 -2.760 -7.970 627 2HB SER 83 1HB SER 83 -18.555 -2.915 -9.737 628 HG SER 83 HG SER 83 -19.657 -4.476 -8.742 629 H GLY 84 H GLY 84 -14.212 -3.021 -9.868 630 1HA GLY 84 2HA GLY 84 -14.564 -0.852 -11.476 631 2HA GLY 84 1HA GLY 84 -14.204 -0.212 -9.818 632 H GLU 85 H GLU 85 -12.773 -1.534 -12.742 633 HA GLU 85 HA GLU 85 -10.971 -3.189 -11.230 634 1HB GLU 85 2HB GLU 85 -11.003 -4.297 -13.486 635 2HB GLU 85 1HB GLU 85 -12.459 -4.485 -12.450 636 1HG GLU 85 2HG GLU 85 -13.753 -2.799 -13.675 637 2HG GLU 85 1HG GLU 85 -12.331 -2.359 -14.678 638 H THR 86 H THR 86 -9.412 -1.553 -10.982 639 HA THR 86 HA THR 86 -7.515 -1.580 -13.119 640 HB THR 86 HB THR 86 -7.360 1.170 -12.739 641 HG1 THR 86 1HG THR 86 -9.253 2.043 -12.536 642 1HG2 THR 86 1HG2 THR 86 -7.686 -0.048 -14.977 643 2HG2 THR 86 2HG2 THR 86 -8.534 1.532 -14.808 644 3HG2 THR 86 3HG2 THR 86 -9.464 0.008 -14.657 645 H PHE 87 H PHE 87 -5.495 -1.700 -12.467 646 HA PHE 87 HA PHE 87 -4.666 -1.206 -9.950 647 1HB PHE 87 2HB PHE 87 -3.670 -2.625 -11.721 648 2HB PHE 87 1HB PHE 87 -3.125 -1.182 -12.620 649 HD1 PHE 87 1HD PHE 87 -0.920 -1.781 -12.659 650 HD2 PHE 87 2HD PHE 87 -2.869 -1.595 -8.874 651 HE1 PHE 87 1HE PHE 87 1.233 -1.949 -11.532 652 HE2 PHE 87 2HE PHE 87 -0.732 -1.680 -7.755 653 HZ PHE 87 HZ PHE 87 1.349 -1.931 -9.066 654 H TRP 88 H TRP 88 -2.929 0.715 -12.410 655 HA TRP 88 HA TRP 88 -2.176 2.573 -10.595 656 1HB TRP 88 2HB TRP 88 -2.449 2.906 -13.634 657 2HB TRP 88 1HB TRP 88 -1.361 3.810 -12.541 658 HD1 TRP 88 HD TRP 88 -1.223 0.915 -14.863 659 HE1 TRP 88 1HE TRP 88 1.013 -0.287 -14.573 660 HE3 TRP 88 3HE TRP 88 0.180 2.966 -10.438 661 HZ2 TRP 88 2HZ TRP 88 3.161 -0.272 -12.730 662 HZ3 TRP 88 3HZ TRP 88 2.344 2.362 -9.486 663 HH2 TRP 88 HH TRP 88 3.783 0.718 -10.571 664 H ASP 89 H ASP 89 -4.982 2.423 -12.517 665 HA ASP 89 HA ASP 89 -5.743 5.184 -12.218 666 1HB ASP 89 2HB ASP 89 -6.200 4.371 -14.291 667 2HB ASP 89 1HB ASP 89 -6.754 2.783 -13.721 668 H LEU 90 H LEU 90 -6.802 2.116 -10.484 669 HA LEU 90 HA LEU 90 -8.583 3.714 -9.012 670 1HB LEU 90 2HB LEU 90 -8.811 1.265 -9.133 671 2HB LEU 90 1HB LEU 90 -7.278 1.059 -8.254 672 HG LEU 90 HG LEU 90 -8.140 2.130 -6.275 673 1HD1 LEU 90 1HD1 LEU 90 -9.701 3.824 -7.005 674 2HD1 LEU 90 2HD1 LEU 90 -10.693 2.635 -6.093 675 3HD1 LEU 90 3HD1 LEU 90 -10.699 2.623 -7.903 676 1HD2 LEU 90 1HD2 LEU 90 -10.061 -0.040 -7.333 677 2HD2 LEU 90 2HD2 LEU 90 -9.921 0.455 -5.603 678 3HD2 LEU 90 3HD2 LEU 90 -8.512 -0.297 -6.441 679 H LEU 91 H LEU 91 -5.303 2.589 -8.644 680 HA LEU 91 HA LEU 91 -4.616 3.714 -6.228 681 1HB LEU 91 2HB LEU 91 -3.259 2.129 -7.660 682 2HB LEU 91 1HB LEU 91 -2.784 3.532 -8.655 683 HG LEU 91 HG LEU 91 -1.710 4.571 -6.645 684 1HD1 LEU 91 1HD1 LEU 91 -3.013 3.612 -4.786 685 2HD1 LEU 91 2HD1 LEU 91 -1.284 3.150 -4.606 686 3HD1 LEU 91 3HD1 LEU 91 -2.471 1.938 -5.225 687 1HD2 LEU 91 1HD2 LEU 91 -0.799 1.684 -7.269 688 2HD2 LEU 91 2HD2 LEU 91 0.218 2.979 -6.529 689 3HD2 LEU 91 3HD2 LEU 91 -0.389 3.167 -8.215 690 H GLU 92 H GLU 92 -4.578 5.419 -9.402 691 HA GLU 92 HA GLU 92 -3.914 7.896 -8.432 692 1HB GLU 92 2HB GLU 92 -4.263 7.373 -10.862 693 2HB GLU 92 1HB GLU 92 -6.019 7.314 -10.568 694 1HG GLU 92 2HG GLU 92 -5.790 9.774 -9.639 695 2HG GLU 92 1HG GLU 92 -4.131 9.731 -10.312 696 H GLN 93 H GLN 93 -7.303 6.558 -8.694 697 HA GLN 93 HA GLN 93 -8.482 8.789 -7.606 698 1HB GLN 93 2HB GLN 93 -9.275 5.851 -7.773 699 2HB GLN 93 1HB GLN 93 -10.410 7.174 -7.338 700 1HG GLN 93 2HG GLN 93 -10.081 8.277 -9.507 701 2HG GLN 93 1HG GLN 93 -8.835 7.098 -10.009 702 1HE2 GLN 93 1HE2 GLN 93 -9.494 5.191 -11.000 703 2HE2 GLN 93 2HE2 GLN 93 -11.169 4.824 -11.284 704 H ALA 94 H ALA 94 -7.326 5.869 -5.931 705 HA ALA 94 HA ALA 94 -8.169 6.577 -3.352 706 1HB ALA 94 1HB ALA 94 -5.765 4.936 -4.331 707 2HB ALA 94 2HB ALA 94 -7.424 4.310 -4.006 708 3HB ALA 94 3HB ALA 94 -6.424 4.948 -2.652 709 H ALA 95 H ALA 95 -5.033 7.243 -5.061 710 HA ALA 95 HA ALA 95 -3.979 8.671 -2.893 711 1HB ALA 95 1HB ALA 95 -3.244 8.709 -5.867 712 2HB ALA 95 2HB ALA 95 -2.618 7.560 -4.643 713 3HB ALA 95 3HB ALA 95 -2.211 9.308 -4.501 714 H THR 96 H THR 96 -5.793 9.759 -5.746 715 HA THR 96 HA THR 96 -5.598 12.438 -5.324 716 HB THR 96 HB THR 96 -6.810 10.893 -7.183 717 HG1 THR 96 1HG THR 96 -7.199 12.699 -8.157 718 1HG2 THR 96 1HG2 THR 96 -9.161 11.586 -7.411 719 2HG2 THR 96 2HG2 THR 96 -9.126 12.474 -5.854 720 3HG2 THR 96 3HG2 THR 96 -8.999 10.686 -5.881 721 H GLN 97 H GLN 97 -7.783 10.158 -3.781 722 HA GLN 97 HA GLN 97 -9.055 12.327 -2.367 723 1HB GLN 97 2HB GLN 97 -10.508 10.958 -1.350 724 2HB GLN 97 1HB GLN 97 -10.274 10.280 -2.978 725 1HG GLN 97 2HG GLN 97 -8.748 8.517 -1.975 726 2HG GLN 97 1HG GLN 97 -9.148 9.099 -0.319 727 1HE2 GLN 97 1HE2 GLN 97 -11.890 9.493 -0.318 728 2HE2 GLN 97 2HE2 GLN 97 -12.712 8.086 -0.898 729 H GLN 98 H GLN 98 -6.477 10.031 -1.615 730 HA GLN 98 HA GLN 98 -6.360 10.756 1.098 731 1HB GLN 98 2HB GLN 98 -4.567 9.222 -0.810 732 2HB GLN 98 1HB GLN 98 -4.078 9.461 0.884 733 1HG GLN 98 2HG GLN 98 -6.773 8.162 0.103 734 2HG GLN 98 1HG GLN 98 -5.244 7.250 0.300 735 1HE2 GLN 98 1HE2 GLN 98 -7.450 9.524 2.180 736 2HE2 GLN 98 2HE2 GLN 98 -6.954 8.880 3.703 737 H ALA 99 H ALA 99 -4.383 11.883 -1.665 738 HA ALA 99 HA ALA 99 -2.948 13.683 0.059 739 1HB ALA 99 1HB ALA 99 -3.029 13.356 -3.004 740 2HB ALA 99 2HB ALA 99 -1.831 12.606 -1.895 741 3HB ALA 99 3HB ALA 99 -1.863 14.388 -2.089 742 H GLY 100 H GLY 100 -5.611 13.849 -2.320 743 1HA GLY 100 2HA GLY 100 -7.321 15.328 -2.058 744 2HA GLY 100 1HA GLY 100 -6.224 16.519 -1.288 745 H GLU 101 H GLU 101 -5.028 14.997 -4.148 746 HA GLU 101 HA GLU 101 -6.027 16.822 -6.034 747 1HB GLU 101 2HB GLU 101 -3.929 18.131 -6.404 748 2HB GLU 101 1HB GLU 101 -4.650 18.428 -4.800 749 1HG GLU 101 2HG GLU 101 -2.948 16.588 -3.919 750 2HG GLU 101 1HG GLU 101 -2.097 16.870 -5.467 751 H THR 102 H THR 102 -4.788 16.340 -8.185 752 HA THR 102 HA THR 102 -4.723 13.580 -8.285 753 HB THR 102 HB THR 102 -3.767 15.475 -10.424 754 HG1 THR 102 1HG THR 102 -5.965 14.163 -10.957 755 1HG2 THR 102 1HG2 THR 102 -2.866 13.149 -10.838 756 2HG2 THR 102 2HG2 THR 102 -4.244 13.472 -11.922 757 3HG2 THR 102 3HG2 THR 102 -4.487 12.450 -10.466 758 H VAL 103 H VAL 103 -3.336 12.227 -7.592 759 HA VAL 103 HA VAL 103 -0.474 12.685 -7.779 760 HB VAL 103 HB VAL 103 -2.230 10.602 -6.457 761 1HG1 VAL 103 1HG1 VAL 103 0.864 10.863 -6.578 762 2HG1 VAL 103 2HG1 VAL 103 -0.104 9.502 -7.254 763 3HG1 VAL 103 3HG1 VAL 103 -0.032 9.753 -5.478 764 1HG2 VAL 103 1HG2 VAL 103 -0.379 12.825 -5.354 765 2HG2 VAL 103 2HG2 VAL 103 -1.227 11.597 -4.354 766 3HG2 VAL 103 3HG2 VAL 103 -2.179 12.806 -5.281 767 H SER 104 H SER 104 0.603 11.788 -9.350 768 HA SER 104 HA SER 104 -1.038 10.592 -11.478 769 1HB SER 104 2HB SER 104 1.631 12.077 -11.684 770 2HB SER 104 1HB SER 104 0.670 11.438 -13.062 771 HG SER 104 HG SER 104 0.180 13.597 -11.368 772 H PHE 105 H PHE 105 -0.898 8.315 -11.374 773 HA PHE 105 HA PHE 105 1.776 7.212 -11.151 774 1HB PHE 105 2HB PHE 105 -1.095 6.100 -11.003 775 2HB PHE 105 1HB PHE 105 0.356 5.040 -11.195 776 HD1 PHE 105 1HD PHE 105 -1.509 7.121 -8.871 777 HD2 PHE 105 2HD PHE 105 2.138 5.061 -9.558 778 HE1 PHE 105 1HE PHE 105 -1.007 7.220 -6.477 779 HE2 PHE 105 2HE PHE 105 2.669 5.189 -7.165 780 HZ PHE 105 HZ PHE 105 1.085 6.243 -5.620 781 H ARG 106 H ARG 106 -0.901 7.587 -13.453 782 HA ARG 106 HA ARG 106 0.439 5.924 -15.425 783 1HB ARG 106 2HB ARG 106 -2.183 7.478 -15.255 784 2HB ARG 106 1HB ARG 106 -1.616 6.835 -16.808 785 1HG ARG 106 2HG ARG 106 -1.969 4.961 -14.416 786 2HG ARG 106 1HG ARG 106 -3.345 5.535 -15.392 787 1HD ARG 106 2HD ARG 106 -2.057 4.673 -17.508 788 2HD ARG 106 1HD ARG 106 -0.999 3.794 -16.344 789 HE ARG 106 HE ARG 106 -2.857 2.294 -15.941 790 1HH1 ARG 106 1HH1 ARG 106 -4.208 5.193 -17.645 791 2HH1 ARG 106 2HH1 ARG 106 -5.802 4.519 -17.480 792 1HH2 ARG 106 1HH2 ARG 106 -4.742 1.463 -16.185 793 2HH2 ARG 106 2HH2 ARG 106 -5.952 2.193 -17.190 Start of MODEL 5 1 HA MET 1 HA MET 1 1.569 -17.342 -13.131 2 1HB MET 1 2HB MET 1 4.153 -17.035 -14.760 3 2HB MET 1 1HB MET 1 2.985 -18.377 -14.955 4 1HG MET 1 2HG MET 1 2.473 -15.401 -15.486 5 2HG MET 1 1HG MET 1 2.694 -16.693 -16.695 6 1HE MET 1 1HE MET 1 0.496 -14.598 -16.758 7 2HE MET 1 2HE MET 1 -0.970 -15.552 -17.188 8 3HE MET 1 3HE MET 1 0.606 -15.931 -17.952 9 H ASN 2 H ASN 2 4.928 -16.866 -12.098 10 HA ASN 2 HA ASN 2 4.596 -19.131 -10.305 11 1HB ASN 2 2HB ASN 2 6.859 -18.725 -12.355 12 2HB ASN 2 1HB ASN 2 7.119 -19.725 -10.875 13 1HD2 ASN 2 1HD2 ASN 2 5.466 -21.427 -10.444 14 2HD2 ASN 2 2HD2 ASN 2 4.755 -22.285 -11.787 15 H ASP 3 H ASP 3 6.638 -19.133 -8.836 16 HA ASP 3 HA ASP 3 6.600 -16.948 -7.231 17 1HB ASP 3 2HB ASP 3 7.220 -19.330 -6.701 18 2HB ASP 3 1HB ASP 3 8.745 -19.128 -7.616 19 H SER 4 H SER 4 9.166 -17.865 -9.501 20 HA SER 4 HA SER 4 10.882 -15.811 -9.459 21 1HB SER 4 2HB SER 4 11.029 -17.872 -10.817 22 2HB SER 4 1HB SER 4 9.663 -17.331 -11.833 23 HG SER 4 HG SER 4 11.448 -16.861 -12.944 24 H GLU 5 H GLU 5 7.845 -15.898 -11.305 25 HA GLU 5 HA GLU 5 8.261 -13.348 -12.452 26 1HB GLU 5 2HB GLU 5 7.133 -15.311 -13.492 27 2HB GLU 5 1HB GLU 5 5.708 -15.036 -12.445 28 1HG GLU 5 2HG GLU 5 5.236 -12.886 -13.521 29 2HG GLU 5 1HG GLU 5 6.893 -12.806 -14.220 30 H PHE 6 H PHE 6 5.815 -14.484 -9.968 31 HA PHE 6 HA PHE 6 4.834 -12.099 -9.335 32 1HB PHE 6 2HB PHE 6 4.200 -14.454 -8.575 33 2HB PHE 6 1HB PHE 6 5.581 -14.412 -7.438 34 HD1 PHE 6 1HD PHE 6 2.924 -11.887 -8.391 35 HD2 PHE 6 2HD PHE 6 4.699 -14.264 -5.333 36 HE1 PHE 6 1HE PHE 6 1.412 -10.918 -6.761 37 HE2 PHE 6 2HE PHE 6 3.124 -13.342 -3.712 38 HZ PHE 6 HZ PHE 6 1.452 -11.672 -4.429 39 H HIS 7 H HIS 7 7.907 -13.410 -8.023 40 HA HIS 7 HA HIS 7 8.314 -11.170 -6.349 41 1HB HIS 7 2HB HIS 7 10.249 -13.275 -7.428 42 2HB HIS 7 1HB HIS 7 10.691 -12.038 -6.189 43 HD1 HIS 7 1HD HIS 7 10.371 -15.272 -5.821 44 HD2 HIS 7 2HD HIS 7 7.720 -12.302 -4.482 45 HE1 HIS 7 1HE HIS 7 8.983 -16.281 -3.976 46 H ARG 8 H ARG 8 9.259 -11.762 -9.744 47 HA ARG 8 HA ARG 8 10.765 -9.356 -9.895 48 1HB ARG 8 2HB ARG 8 9.682 -11.441 -11.741 49 2HB ARG 8 1HB ARG 8 9.816 -9.829 -12.479 50 1HG ARG 8 2HG ARG 8 11.791 -11.360 -12.779 51 2HG ARG 8 1HG ARG 8 12.157 -9.709 -12.215 52 1HD ARG 8 2HD ARG 8 12.753 -10.383 -10.011 53 2HD ARG 8 1HD ARG 8 11.937 -11.981 -10.157 54 HE ARG 8 HE ARG 8 14.506 -11.160 -11.518 55 1HH1 ARG 8 1HH1 ARG 8 11.874 -13.549 -11.396 56 2HH1 ARG 8 2HH1 ARG 8 12.851 -14.851 -11.958 57 1HH2 ARG 8 1HH2 ARG 8 15.870 -13.150 -11.655 58 2HH2 ARG 8 2HH2 ARG 8 15.070 -14.570 -12.183 59 H LEU 9 H LEU 9 7.312 -10.053 -10.663 60 HA LEU 9 HA LEU 9 6.679 -7.441 -11.310 61 1HB LEU 9 2HB LEU 9 5.064 -9.740 -10.099 62 2HB LEU 9 1HB LEU 9 4.326 -8.216 -10.677 63 HG LEU 9 HG LEU 9 5.949 -10.167 -12.417 64 1HD1 LEU 9 1HD1 LEU 9 3.773 -10.819 -13.400 65 2HD1 LEU 9 2HD1 LEU 9 2.902 -9.732 -12.263 66 3HD1 LEU 9 3HD1 LEU 9 3.802 -11.164 -11.632 67 1HD2 LEU 9 1HD2 LEU 9 4.990 -8.892 -14.344 68 2HD2 LEU 9 2HD2 LEU 9 6.082 -7.874 -13.347 69 3HD2 LEU 9 3HD2 LEU 9 4.291 -7.687 -13.207 70 H ALA 10 H ALA 10 6.877 -8.976 -8.127 71 HA ALA 10 HA ALA 10 5.891 -6.882 -6.605 72 1HB ALA 10 1HB ALA 10 8.162 -8.806 -5.852 73 2HB ALA 10 2HB ALA 10 6.417 -9.211 -5.759 74 3HB ALA 10 3HB ALA 10 7.092 -7.894 -4.734 75 H ASP 11 H ASP 11 9.230 -7.504 -7.723 76 HA ASP 11 HA ASP 11 10.348 -5.206 -6.641 77 1HB ASP 11 2HB ASP 11 11.068 -7.443 -8.367 78 2HB ASP 11 1HB ASP 11 11.652 -5.953 -9.159 79 H GLN 12 H GLN 12 8.766 -5.662 -9.830 80 HA GLN 12 HA GLN 12 9.167 -3.086 -10.711 81 1HB GLN 12 2HB GLN 12 6.682 -4.774 -11.259 82 2HB GLN 12 1HB GLN 12 7.278 -3.359 -12.181 83 1HG GLN 12 2HG GLN 12 9.435 -4.710 -12.638 84 2HG GLN 12 1HG GLN 12 8.587 -6.134 -11.956 85 1HE2 GLN 12 1HE2 GLN 12 9.176 -6.838 -14.245 86 2HE2 GLN 12 2HE2 GLN 12 7.953 -6.579 -15.470 87 H LEU 13 H LEU 13 6.155 -4.219 -8.961 88 HA LEU 13 HA LEU 13 5.103 -1.668 -8.993 89 1HB LEU 13 2HB LEU 13 3.418 -2.612 -7.505 90 2HB LEU 13 1HB LEU 13 3.732 -3.598 -8.968 91 HG LEU 13 HG LEU 13 5.360 -4.892 -7.220 92 1HD1 LEU 13 1HD1 LEU 13 2.962 -4.130 -5.437 93 2HD1 LEU 13 2HD1 LEU 13 4.550 -3.304 -5.294 94 3HD1 LEU 13 3HD1 LEU 13 4.444 -5.076 -5.001 95 1HD2 LEU 13 1HD2 LEU 13 2.316 -5.343 -7.390 96 2HD2 LEU 13 2HD2 LEU 13 3.559 -6.570 -6.954 97 3HD2 LEU 13 3HD2 LEU 13 3.515 -5.890 -8.627 98 H TRP 14 H TRP 14 6.934 -3.310 -6.431 99 HA TRP 14 HA TRP 14 6.680 -1.244 -4.552 100 1HB TRP 14 2HB TRP 14 8.797 -3.415 -4.915 101 2HB TRP 14 1HB TRP 14 8.771 -2.282 -3.533 102 HD1 TRP 14 HD TRP 14 5.388 -2.577 -3.193 103 HE1 TRP 14 1HE TRP 14 4.814 -4.474 -1.568 104 HE3 TRP 14 3HE TRP 14 9.572 -5.401 -3.745 105 HZ2 TRP 14 2HZ TRP 14 5.847 -6.970 -0.870 106 HZ3 TRP 14 3HZ TRP 14 9.705 -7.550 -2.586 107 HH2 TRP 14 HH TRP 14 7.885 -8.338 -1.172 108 H LEU 15 H LEU 15 9.248 -1.766 -7.038 109 HA LEU 15 HA LEU 15 10.688 0.521 -6.403 110 1HB LEU 15 2HB LEU 15 11.529 -1.221 -7.920 111 2HB LEU 15 1HB LEU 15 10.222 -0.870 -9.080 112 HG LEU 15 HG LEU 15 11.187 1.456 -9.405 113 1HD1 LEU 15 1HD1 LEU 15 13.527 0.365 -7.715 114 2HD1 LEU 15 2HD1 LEU 15 12.434 1.724 -7.250 115 3HD1 LEU 15 3HD1 LEU 15 13.527 1.895 -8.668 116 1HD2 LEU 15 1HD2 LEU 15 11.675 -0.408 -10.973 117 2HD2 LEU 15 2HD2 LEU 15 13.094 -0.891 -9.963 118 3HD2 LEU 15 3HD2 LEU 15 13.082 0.704 -10.803 119 H THR 16 H THR 16 8.099 0.096 -8.802 120 HA THR 16 HA THR 16 8.154 2.642 -9.785 121 HB THR 16 HB THR 16 5.684 0.888 -9.658 122 HG1 THR 16 1HG THR 16 7.275 -0.235 -10.593 123 1HG2 THR 16 1HG2 THR 16 6.626 3.132 -11.583 124 2HG2 THR 16 2HG2 THR 16 5.227 3.254 -10.448 125 3HG2 THR 16 3HG2 THR 16 5.177 2.096 -11.822 126 H ILE 17 H ILE 17 5.830 1.464 -7.222 127 HA ILE 17 HA ILE 17 4.821 4.066 -6.950 128 HB ILE 17 HB ILE 17 4.562 1.752 -5.055 129 1HG1 ILE 17 2HG1 ILE 17 2.993 2.757 -7.500 130 2HG1 ILE 17 1HG1 ILE 17 3.746 1.149 -7.281 131 1HG2 ILE 17 1HG2 ILE 17 2.573 3.029 -4.244 132 2HG2 ILE 17 2HG2 ILE 17 2.971 4.390 -5.359 133 3HG2 ILE 17 3HG2 ILE 17 4.055 3.966 -3.980 134 1HD1 ILE 17 1HD1 ILE 17 2.089 0.743 -5.346 135 2HD1 ILE 17 2HD1 ILE 17 1.370 0.845 -6.994 136 3HD1 ILE 17 3HD1 ILE 17 1.235 2.238 -5.868 137 H GLU 18 H GLU 18 7.401 2.384 -5.021 138 HA GLU 18 HA GLU 18 7.497 4.431 -3.159 139 1HB GLU 18 2HB GLU 18 8.631 2.118 -3.065 140 2HB GLU 18 1HB GLU 18 9.955 2.861 -3.991 141 1HG GLU 18 2HG GLU 18 10.033 4.696 -2.137 142 2HG GLU 18 1HG GLU 18 8.914 3.657 -1.195 143 H GLU 19 H GLU 19 9.372 3.980 -6.156 144 HA GLU 19 HA GLU 19 10.848 6.318 -6.013 145 1HB GLU 19 2HB GLU 19 11.397 4.482 -7.538 146 2HB GLU 19 1HB GLU 19 9.903 4.768 -8.465 147 1HG GLU 19 2HG GLU 19 10.718 7.022 -9.159 148 2HG GLU 19 1HG GLU 19 12.182 6.833 -8.139 149 H ARG 20 H ARG 20 7.742 5.790 -7.772 150 HA ARG 20 HA ARG 20 7.620 8.309 -8.837 151 1HB ARG 20 2HB ARG 20 6.275 6.225 -9.424 152 2HB ARG 20 1HB ARG 20 5.194 6.640 -8.069 153 1HG ARG 20 2HG ARG 20 4.208 7.463 -10.096 154 2HG ARG 20 1HG ARG 20 4.822 8.924 -9.265 155 1HD ARG 20 2HD ARG 20 6.823 8.956 -10.795 156 2HD ARG 20 1HD ARG 20 6.272 7.393 -11.531 157 HE ARG 20 HE ARG 20 4.191 9.484 -11.626 158 1HH1 ARG 20 1HH1 ARG 20 7.100 8.190 -13.358 159 2HH1 ARG 20 2HH1 ARG 20 6.712 9.144 -14.760 160 1HH2 ARG 20 1HH2 ARG 20 3.690 10.411 -13.763 161 2HH2 ARG 20 2HH2 ARG 20 4.844 10.197 -15.028 162 H LEU 21 H LEU 21 6.256 7.185 -5.703 163 HA LEU 21 HA LEU 21 5.105 9.751 -5.234 164 1HB LEU 21 2HB LEU 21 5.541 7.390 -3.351 165 2HB LEU 21 1HB LEU 21 4.601 8.874 -2.973 166 HG LEU 21 HG LEU 21 3.933 6.823 -5.149 167 1HD1 LEU 21 1HD1 LEU 21 2.541 7.545 -2.492 168 2HD1 LEU 21 2HD1 LEU 21 3.522 6.059 -2.798 169 3HD1 LEU 21 3HD1 LEU 21 1.976 6.326 -3.696 170 1HD2 LEU 21 1HD2 LEU 21 3.166 9.040 -5.941 171 2HD2 LEU 21 2HD2 LEU 21 2.476 9.419 -4.312 172 3HD2 LEU 21 3HD2 LEU 21 1.748 8.126 -5.324 173 H ASP 22 H ASP 22 8.125 8.181 -3.956 174 HA ASP 22 HA ASP 22 8.726 10.345 -2.347 175 1HB ASP 22 2HB ASP 22 9.642 8.005 -2.234 176 2HB ASP 22 1HB ASP 22 10.628 8.352 -3.687 177 H ASP 23 H ASP 23 9.411 9.865 -5.818 178 HA ASP 23 HA ASP 23 11.211 12.006 -5.986 179 1HB ASP 23 2HB ASP 23 11.045 10.011 -7.545 180 2HB ASP 23 1HB ASP 23 9.501 10.680 -8.171 181 H TRP 24 H TRP 24 7.700 11.774 -6.571 182 HA TRP 24 HA TRP 24 7.617 14.355 -7.738 183 1HB TRP 24 2HB TRP 24 6.229 12.422 -8.438 184 2HB TRP 24 1HB TRP 24 5.391 12.459 -6.861 185 HD1 TRP 24 HD TRP 24 3.197 13.955 -6.883 186 HE1 TRP 24 1HE TRP 24 2.303 15.875 -8.304 187 HE3 TRP 24 3HE TRP 24 7.096 14.373 -10.100 188 HZ2 TRP 24 2HZ TRP 24 3.156 17.347 -10.597 189 HZ3 TRP 24 3HZ TRP 24 7.003 16.061 -11.870 190 HH2 TRP 24 HH TRP 24 5.074 17.524 -12.115 191 H ASP 25 H ASP 25 6.273 16.146 -7.053 192 HA ASP 25 HA ASP 25 6.605 16.553 -4.181 193 1HB ASP 25 2HB ASP 25 6.210 18.564 -6.464 194 2HB ASP 25 1HB ASP 25 6.567 18.974 -4.737 195 H GLY 26 H GLY 26 4.787 18.843 -4.173 196 1HA GLY 26 2HA GLY 26 2.267 18.595 -4.846 197 2HA GLY 26 1HA GLY 26 2.419 17.367 -3.524 198 H ASP 27 H ASP 27 0.734 19.085 -2.697 199 HA ASP 27 HA ASP 27 2.012 21.289 -1.348 200 1HB ASP 27 2HB ASP 27 -0.456 21.152 -2.171 201 2HB ASP 27 1HB ASP 27 -0.768 20.105 -0.747 202 H SER 28 H SER 28 0.713 18.083 -0.654 203 HA SER 28 HA SER 28 1.550 17.901 2.022 204 1HB SER 28 2HB SER 28 -0.240 16.537 0.928 205 2HB SER 28 1HB SER 28 1.010 15.707 -0.050 206 HG SER 28 HG SER 28 1.824 14.817 1.811 207 H ASP 29 H ASP 29 3.175 16.625 2.937 208 HA ASP 29 HA ASP 29 5.536 16.075 1.370 209 1HB ASP 29 2HB ASP 29 5.287 17.124 3.791 210 2HB ASP 29 1HB ASP 29 4.988 15.447 4.337 211 H ILE 30 H ILE 30 6.430 13.670 2.181 212 HA ILE 30 HA ILE 30 4.457 11.701 2.125 213 HB ILE 30 HB ILE 30 4.177 12.671 -0.124 214 1HG1 ILE 30 2HG1 ILE 30 3.374 10.434 0.476 215 2HG1 ILE 30 1HG1 ILE 30 3.753 10.698 -1.242 216 1HG2 ILE 30 1HG2 ILE 30 6.537 13.214 -0.633 217 2HG2 ILE 30 2HG2 ILE 30 5.735 12.232 -1.908 218 3HG2 ILE 30 3HG2 ILE 30 6.912 11.455 -0.799 219 1HD1 ILE 30 1HD1 ILE 30 5.947 9.439 -0.944 220 2HD1 ILE 30 2HD1 ILE 30 4.462 8.469 -0.660 221 3HD1 ILE 30 3HD1 ILE 30 5.434 9.035 0.741 222 H ASP 31 H ASP 31 5.363 10.191 3.250 223 HA ASP 31 HA ASP 31 8.141 9.435 2.655 224 1HB ASP 31 2HB ASP 31 7.964 10.876 4.745 225 2HB ASP 31 1HB ASP 31 6.904 9.615 5.462 226 H CYS 32 H CYS 32 7.957 7.432 1.674 227 HA CYS 32 HA CYS 32 5.893 5.617 2.597 228 1HB CYS 32 2HB CYS 32 8.030 5.595 0.427 229 2HB CYS 32 1HB CYS 32 6.992 4.171 0.772 230 HG CYS 32 HG CYS 32 6.272 7.207 -0.318 231 H GLU 33 H GLU 33 6.290 3.855 3.855 232 HA GLU 33 HA GLU 33 8.979 3.574 4.970 233 1HB GLU 33 2HB GLU 33 6.365 2.306 5.862 234 2HB GLU 33 1HB GLU 33 7.875 2.422 6.811 235 1HG GLU 33 2HG GLU 33 7.489 4.931 7.019 236 2HG GLU 33 1HG GLU 33 5.999 4.764 6.020 237 H ILE 34 H ILE 34 10.183 1.595 4.576 238 HA ILE 34 HA ILE 34 8.717 -0.516 3.263 239 HB ILE 34 HB ILE 34 10.192 0.311 1.691 240 1HG1 ILE 34 2HG1 ILE 34 11.892 -1.501 1.459 241 2HG1 ILE 34 1HG1 ILE 34 11.555 -2.004 3.140 242 1HG2 ILE 34 1HG2 ILE 34 11.628 1.800 3.044 243 2HG2 ILE 34 2HG2 ILE 34 12.633 0.657 2.103 244 3HG2 ILE 34 3HG2 ILE 34 12.400 0.376 3.855 245 1HD1 ILE 34 1HD1 ILE 34 9.170 -2.606 2.448 246 2HD1 ILE 34 2HD1 ILE 34 10.378 -3.452 1.418 247 3HD1 ILE 34 3HD1 ILE 34 9.521 -2.003 0.788 248 H ASN 35 H ASN 35 8.285 -1.894 4.591 249 HA ASN 35 HA ASN 35 10.276 -2.723 6.612 250 1HB ASN 35 2HB ASN 35 8.272 -1.132 7.373 251 2HB ASN 35 1HB ASN 35 7.306 -2.638 7.378 252 1HD2 ASN 35 1HD2 ASN 35 8.321 -4.499 8.810 253 2HD2 ASN 35 2HD2 ASN 35 9.389 -4.025 10.104 254 H GLY 36 H GLY 36 10.894 -4.628 5.579 255 1HA GLY 36 2HA GLY 36 10.852 -6.807 5.634 256 2HA GLY 36 1HA GLY 36 9.301 -6.713 6.534 257 H GLY 37 H GLY 37 9.673 -5.428 3.316 258 1HA GLY 37 2HA GLY 37 8.865 -6.175 1.332 259 2HA GLY 37 1HA GLY 37 8.309 -7.693 2.109 260 H VAL 38 H VAL 38 7.410 -4.742 3.684 261 HA VAL 38 HA VAL 38 4.792 -4.645 2.310 262 HB VAL 38 HB VAL 38 5.579 -4.085 5.198 263 1HG1 VAL 38 1HG1 VAL 38 2.856 -3.959 3.752 264 2HG1 VAL 38 2HG1 VAL 38 3.755 -2.561 4.452 265 3HG1 VAL 38 3HG1 VAL 38 3.101 -3.839 5.533 266 1HG2 VAL 38 1HG2 VAL 38 3.995 -6.401 3.916 267 2HG2 VAL 38 2HG2 VAL 38 4.043 -6.057 5.686 268 3HG2 VAL 38 3HG2 VAL 38 5.547 -6.521 4.824 269 H LEU 39 H LEU 39 4.468 -2.595 1.350 270 HA LEU 39 HA LEU 39 6.062 -0.394 2.444 271 1HB LEU 39 2HB LEU 39 4.610 -0.780 -0.177 272 2HB LEU 39 1HB LEU 39 5.119 0.840 0.364 273 HG LEU 39 HG LEU 39 7.136 -1.424 0.094 274 1HD1 LEU 39 1HD1 LEU 39 5.973 -0.860 -2.157 275 2HD1 LEU 39 2HD1 LEU 39 7.759 -0.574 -2.108 276 3HD1 LEU 39 3HD1 LEU 39 6.633 0.815 -1.979 277 1HD2 LEU 39 1HD2 LEU 39 7.409 1.658 0.205 278 2HD2 LEU 39 2HD2 LEU 39 8.761 0.503 -0.077 279 3HD2 LEU 39 3HD2 LEU 39 7.877 0.490 1.497 280 H THR 40 H THR 40 5.130 1.078 3.617 281 HA THR 40 HA THR 40 2.223 1.421 3.500 282 HB THR 40 HB THR 40 2.891 2.674 5.839 283 HG1 THR 40 1HG THR 40 4.555 1.885 6.669 284 1HG2 THR 40 1HG2 THR 40 2.248 -0.320 5.579 285 2HG2 THR 40 2HG2 THR 40 1.013 1.001 5.415 286 3HG2 THR 40 3HG2 THR 40 1.858 0.741 6.988 287 H ILE 41 H ILE 41 1.581 3.261 2.766 288 HA ILE 41 HA ILE 41 3.714 5.150 2.189 289 HB ILE 41 HB ILE 41 0.940 4.865 1.056 290 1HG1 ILE 41 2HG1 ILE 41 3.647 4.263 -0.259 291 2HG1 ILE 41 1HG1 ILE 41 2.630 3.020 0.507 292 1HG2 ILE 41 1HG2 ILE 41 3.207 6.794 0.239 293 2HG2 ILE 41 2HG2 ILE 41 1.630 7.254 0.983 294 3HG2 ILE 41 3HG2 ILE 41 1.661 6.543 -0.652 295 1HD1 ILE 41 1HD1 ILE 41 2.266 3.012 -1.911 296 2HD1 ILE 41 2HD1 ILE 41 1.803 4.748 -1.908 297 3HD1 ILE 41 3HD1 ILE 41 0.754 3.528 -1.091 298 H THR 42 H THR 42 3.831 7.014 3.372 299 HA THR 42 HA THR 42 1.402 7.790 4.831 300 HB THR 42 HB THR 42 2.478 8.323 6.771 301 HG1 THR 42 1HG THR 42 4.831 7.790 5.337 302 1HG2 THR 42 1HG2 THR 42 1.894 5.889 6.381 303 2HG2 THR 42 2HG2 THR 42 3.281 6.126 7.514 304 3HG2 THR 42 3HG2 THR 42 3.588 5.596 5.828 305 H PHE 43 H PHE 43 0.593 9.655 4.340 306 HA PHE 43 HA PHE 43 2.419 11.886 3.894 307 1HB PHE 43 2HB PHE 43 0.447 12.792 2.386 308 2HB PHE 43 1HB PHE 43 1.609 11.592 1.761 309 HD1 PHE 43 1HD PHE 43 -1.697 11.781 3.496 310 HD2 PHE 43 2HD PHE 43 0.860 9.651 0.852 311 HE1 PHE 43 1HE PHE 43 -3.466 10.146 3.108 312 HE2 PHE 43 2HE PHE 43 -0.905 7.999 0.467 313 HZ PHE 43 HZ PHE 43 -3.068 8.229 1.604 314 H GLU 44 H GLU 44 1.305 14.077 4.149 315 HA GLU 44 HA GLU 44 0.925 14.508 6.723 316 1HB GLU 44 2HB GLU 44 0.182 15.994 4.179 317 2HB GLU 44 1HB GLU 44 -0.096 16.753 5.751 318 1HG GLU 44 2HG GLU 44 2.697 15.633 5.213 319 2HG GLU 44 1HG GLU 44 2.170 17.150 4.403 320 H ASN 45 H ASN 45 -1.782 13.947 4.430 321 HA ASN 45 HA ASN 45 -3.683 14.948 6.159 322 1HB ASN 45 2HB ASN 45 -3.732 14.094 3.567 323 2HB ASN 45 1HB ASN 45 -4.477 12.657 4.313 324 1HD2 ASN 45 1HD2 ASN 45 -4.648 16.262 4.098 325 2HD2 ASN 45 2HD2 ASN 45 -6.354 16.383 4.438 326 H GLY 46 H GLY 46 -1.887 12.105 6.565 327 1HA GLY 46 2HA GLY 46 -1.779 11.167 8.595 328 2HA GLY 46 1HA GLY 46 -3.474 11.633 8.951 329 H SER 47 H SER 47 -3.996 10.392 6.126 330 HA SER 47 HA SER 47 -4.691 7.811 7.063 331 1HB SER 47 2HB SER 47 -4.688 8.752 4.149 332 2HB SER 47 1HB SER 47 -5.718 7.487 4.910 333 HG SER 47 HG SER 47 -6.888 9.031 5.864 334 H LYS 48 H LYS 48 -4.185 5.832 5.523 335 HA LYS 48 HA LYS 48 -1.348 5.897 4.818 336 1HB LYS 48 2HB LYS 48 -2.538 4.004 6.913 337 2HB LYS 48 1HB LYS 48 -0.943 3.793 6.123 338 1HG LYS 48 2HG LYS 48 -0.248 6.055 7.034 339 2HG LYS 48 1HG LYS 48 -1.747 6.062 8.015 340 1HD LYS 48 2HD LYS 48 -1.061 3.910 9.090 341 2HD LYS 48 1HD LYS 48 0.397 3.842 8.049 342 1HE LYS 48 2HE LYS 48 1.245 5.978 9.102 343 2HE LYS 48 1HE LYS 48 -0.198 5.995 10.194 344 1HZ LYS 48 1HZ LYS 48 1.857 3.829 10.031 345 2HZ LYS 48 2HZ LYS 48 0.518 3.834 11.046 346 3HZ LYS 48 3HZ LYS 48 1.734 5.002 11.237 347 H ILE 49 H ILE 49 -0.811 4.609 3.164 348 HA ILE 49 HA ILE 49 -2.918 2.795 2.167 349 HB ILE 49 HB ILE 49 -0.350 3.409 0.741 350 1HG1 ILE 49 2HG1 ILE 49 -0.999 5.574 1.191 351 2HG1 ILE 49 1HG1 ILE 49 -1.463 5.224 -0.499 352 1HG2 ILE 49 1HG2 ILE 49 -1.726 2.950 -1.258 353 2HG2 ILE 49 2HG2 ILE 49 -3.155 2.615 -0.211 354 3HG2 ILE 49 3HG2 ILE 49 -1.698 1.559 -0.122 355 1HD1 ILE 49 1HD1 ILE 49 -3.234 5.882 1.879 356 2HD1 ILE 49 2HD1 ILE 49 -3.881 4.688 0.719 357 3HD1 ILE 49 3HD1 ILE 49 -3.405 6.339 0.146 358 H ILE 50 H ILE 50 -2.477 0.490 2.214 359 HA ILE 50 HA ILE 50 0.203 -0.205 3.088 360 HB ILE 50 HB ILE 50 -0.924 -0.191 5.010 361 1HG1 ILE 50 2HG1 ILE 50 -1.403 -2.675 5.558 362 2HG1 ILE 50 1HG1 ILE 50 -1.140 -2.994 3.820 363 1HG2 ILE 50 1HG2 ILE 50 -3.179 -1.105 5.451 364 2HG2 ILE 50 2HG2 ILE 50 -3.366 -1.536 3.726 365 3HG2 ILE 50 3HG2 ILE 50 -3.274 0.200 4.231 366 1HD1 ILE 50 1HD1 ILE 50 0.853 -1.792 5.880 367 2HD1 ILE 50 2HD1 ILE 50 1.230 -1.830 4.138 368 3HD1 ILE 50 3HD1 ILE 50 0.987 -3.383 5.046 369 H ILE 51 H ILE 51 1.206 -1.501 1.917 370 HA ILE 51 HA ILE 51 -0.215 -3.118 -0.061 371 HB ILE 51 HB ILE 51 2.420 -1.697 -0.413 372 1HG1 ILE 51 2HG1 ILE 51 -0.471 -0.909 -0.828 373 2HG1 ILE 51 1HG1 ILE 51 0.901 0.039 -0.253 374 1HG2 ILE 51 1HG2 ILE 51 2.096 -3.850 -1.749 375 2HG2 ILE 51 2HG2 ILE 51 2.147 -2.388 -2.758 376 3HG2 ILE 51 3HG2 ILE 51 0.556 -3.166 -2.395 377 1HD1 ILE 51 1HD1 ILE 51 0.246 0.831 -2.513 378 2HD1 ILE 51 2HD1 ILE 51 0.330 -0.851 -3.162 379 3HD1 ILE 51 3HD1 ILE 51 1.841 -0.003 -2.664 380 H ASN 52 H ASN 52 0.055 -5.145 0.125 381 HA ASN 52 HA ASN 52 2.532 -6.412 0.691 382 1HB ASN 52 2HB ASN 52 1.810 -5.832 2.964 383 2HB ASN 52 1HB ASN 52 0.186 -6.543 2.670 384 1HD2 ASN 52 1HD2 ASN 52 0.195 -8.123 4.216 385 2HD2 ASN 52 2HD2 ASN 52 1.385 -9.393 4.359 386 H ARG 53 H ARG 53 2.102 -8.857 0.762 387 HA ARG 53 HA ARG 53 0.148 -9.588 -1.296 388 1HB ARG 53 2HB ARG 53 2.035 -10.571 -2.466 389 2HB ARG 53 1HB ARG 53 2.328 -8.826 -2.185 390 1HG ARG 53 2HG ARG 53 4.355 -9.408 -1.440 391 2HG ARG 53 1HG ARG 53 3.591 -10.031 0.049 392 1HD ARG 53 2HD ARG 53 3.451 -12.320 -0.967 393 2HD ARG 53 1HD ARG 53 4.122 -11.689 -2.517 394 HE ARG 53 HE ARG 53 5.639 -12.194 -0.004 395 1HH1 ARG 53 1HH1 ARG 53 5.813 -10.516 -3.192 396 2HH1 ARG 53 2HH1 ARG 53 7.556 -10.610 -3.159 397 1HH2 ARG 53 1HH2 ARG 53 7.715 -12.372 -0.138 398 2HH2 ARG 53 2HH2 ARG 53 8.670 -11.831 -1.494 399 H GLN 54 H GLN 54 -0.168 -11.765 -1.726 400 HA GLN 54 HA GLN 54 0.316 -13.574 0.508 401 1HB GLN 54 2HB GLN 54 -1.753 -13.261 -1.741 402 2HB GLN 54 1HB GLN 54 -1.509 -14.834 -0.966 403 1HG GLN 54 2HG GLN 54 -2.288 -12.264 0.581 404 2HG GLN 54 1HG GLN 54 -3.468 -13.462 -0.049 405 1HE2 GLN 54 1HE2 GLN 54 -3.435 -15.665 0.826 406 2HE2 GLN 54 2HE2 GLN 54 -2.745 -15.959 2.398 407 H GLU 55 H GLU 55 1.891 -14.940 0.085 408 HA GLU 55 HA GLU 55 2.965 -15.522 -2.428 409 1HB GLU 55 2HB GLU 55 4.202 -15.980 -0.425 410 2HB GLU 55 1HB GLU 55 2.993 -17.168 0.119 411 1HG GLU 55 2HG GLU 55 3.557 -18.635 -1.870 412 2HG GLU 55 1HG GLU 55 4.798 -17.430 -2.380 413 HA PRO 56 HA PRO 56 -0.155 -18.808 -3.285 414 1HB PRO 56 2HB PRO 56 -2.436 -17.858 -1.497 415 2HB PRO 56 1HB PRO 56 -2.109 -19.522 -2.118 416 1HG PRO 56 2HG PRO 56 -1.479 -18.875 0.467 417 2HG PRO 56 1HG PRO 56 -0.272 -19.802 -0.531 418 1HD PRO 56 2HD PRO 56 -0.357 -16.757 -0.033 419 2HD PRO 56 1HD PRO 56 1.047 -17.904 0.133 420 H LEU 57 H LEU 57 -0.755 -18.142 -5.287 421 HA LEU 57 HA LEU 57 -1.564 -17.115 -6.869 422 1HB LEU 57 2HB LEU 57 -3.556 -15.756 -5.055 423 2HB LEU 57 1HB LEU 57 -3.494 -15.600 -6.835 424 HG LEU 57 HG LEU 57 -3.391 -18.264 -6.747 425 1HD1 LEU 57 1HD1 LEU 57 -5.060 -19.131 -5.054 426 2HD1 LEU 57 2HD1 LEU 57 -5.077 -17.510 -4.261 427 3HD1 LEU 57 3HD1 LEU 57 -3.571 -18.504 -4.260 428 1HD2 LEU 57 1HD2 LEU 57 -5.003 -16.870 -8.032 429 2HD2 LEU 57 2HD2 LEU 57 -5.968 -16.581 -6.534 430 3HD2 LEU 57 3HD2 LEU 57 -5.848 -18.243 -7.223 431 H HIS 58 H HIS 58 -1.097 -15.787 -8.218 432 HA HIS 58 HA HIS 58 1.026 -13.958 -7.664 433 1HB HIS 58 2HB HIS 58 -0.300 -14.601 -10.292 434 2HB HIS 58 1HB HIS 58 1.298 -13.808 -10.044 435 HD1 HIS 58 1HD HIS 58 0.131 -16.985 -10.935 436 HD2 HIS 58 2HD HIS 58 2.671 -15.787 -7.804 437 HE1 HIS 58 1HE HIS 58 1.393 -19.002 -10.202 438 H GLN 59 H GLN 59 -0.955 -12.655 -6.336 439 HA GLN 59 HA GLN 59 -1.455 -10.288 -7.942 440 1HB GLN 59 2HB GLN 59 -3.781 -10.127 -6.956 441 2HB GLN 59 1HB GLN 59 -3.491 -11.218 -8.289 442 1HG GLN 59 2HG GLN 59 -3.103 -12.825 -5.875 443 2HG GLN 59 1HG GLN 59 -4.514 -11.774 -5.569 444 1HE2 GLN 59 1HE2 GLN 59 -6.410 -12.759 -6.174 445 2HE2 GLN 59 2HE2 GLN 59 -6.571 -13.910 -7.473 446 H VAL 60 H VAL 60 -1.653 -8.414 -6.698 447 HA VAL 60 HA VAL 60 -0.773 -8.721 -3.881 448 HB VAL 60 HB VAL 60 0.100 -6.563 -5.814 449 1HG1 VAL 60 1HG1 VAL 60 1.757 -6.010 -4.047 450 2HG1 VAL 60 2HG1 VAL 60 1.006 -7.209 -2.936 451 3HG1 VAL 60 3HG1 VAL 60 0.099 -5.728 -3.451 452 1HG2 VAL 60 1HG2 VAL 60 1.527 -9.077 -4.707 453 2HG2 VAL 60 2HG2 VAL 60 2.361 -7.714 -5.527 454 3HG2 VAL 60 3HG2 VAL 60 1.177 -8.705 -6.443 455 H TRP 61 H TRP 61 -1.597 -7.059 -2.328 456 HA TRP 61 HA TRP 61 -4.120 -6.108 -3.341 457 1HB TRP 61 2HB TRP 61 -4.932 -5.878 -1.286 458 2HB TRP 61 1HB TRP 61 -4.014 -7.410 -1.241 459 HD1 TRP 61 HD TRP 61 -1.396 -5.011 -0.534 460 HE1 TRP 61 1HE TRP 61 -1.592 -3.928 1.796 461 HE3 TRP 61 3HE TRP 61 -5.932 -6.748 0.895 462 HZ2 TRP 61 2HZ TRP 61 -3.023 -4.467 4.204 463 HZ3 TRP 61 3HZ TRP 61 -6.647 -6.455 3.216 464 HH2 TRP 61 HH TRP 61 -5.224 -5.340 4.839 465 H LEU 62 H LEU 62 -4.966 -4.010 -3.225 466 HA LEU 62 HA LEU 62 -3.055 -1.925 -2.425 467 1HB LEU 62 2HB LEU 62 -5.436 -1.824 -4.360 468 2HB LEU 62 1HB LEU 62 -4.623 -0.372 -3.704 469 HG LEU 62 HG LEU 62 -3.293 -2.487 -5.476 470 1HD1 LEU 62 1HD1 LEU 62 -5.010 -1.207 -6.723 471 2HD1 LEU 62 2HD1 LEU 62 -3.366 -0.664 -7.221 472 3HD1 LEU 62 3HD1 LEU 62 -4.357 0.347 -6.099 473 1HD2 LEU 62 1HD2 LEU 62 -2.269 0.250 -4.459 474 2HD2 LEU 62 2HD2 LEU 62 -1.456 -0.781 -5.693 475 3HD2 LEU 62 3HD2 LEU 62 -1.622 -1.373 -4.003 476 H ALA 63 H ALA 63 -3.601 -2.167 -0.146 477 HA ALA 63 HA ALA 63 -6.397 -1.514 0.425 478 1HB ALA 63 1HB ALA 63 -5.627 -1.791 2.831 479 2HB ALA 63 2HB ALA 63 -4.064 -2.400 2.134 480 3HB ALA 63 3HB ALA 63 -5.587 -3.273 1.809 481 H THR 64 H THR 64 -6.818 0.433 -0.134 482 HA THR 64 HA THR 64 -4.989 2.593 0.615 483 HB THR 64 HB THR 64 -7.154 2.725 -1.518 484 HG1 THR 64 1HG THR 64 -4.488 2.015 -1.943 485 1HG2 THR 64 1HG2 THR 64 -4.407 4.148 -1.202 486 2HG2 THR 64 2HG2 THR 64 -5.983 4.899 -0.730 487 3HG2 THR 64 3HG2 THR 64 -5.631 4.482 -2.448 488 H LYS 65 H LYS 65 -8.096 3.683 -0.348 489 HA LYS 65 HA LYS 65 -8.728 4.271 2.395 490 1HB LYS 65 2HB LYS 65 -8.962 5.802 0.367 491 2HB LYS 65 1HB LYS 65 -10.429 4.894 -0.064 492 1HG LYS 65 2HG LYS 65 -10.020 5.972 2.782 493 2HG LYS 65 1HG LYS 65 -10.461 7.100 1.481 494 1HD LYS 65 2HD LYS 65 -12.480 5.782 0.903 495 2HD LYS 65 1HD LYS 65 -12.116 4.604 2.201 496 1HE LYS 65 2HE LYS 65 -12.380 6.370 3.939 497 2HE LYS 65 1HE LYS 65 -12.740 7.597 2.654 498 1HZ LYS 65 1HZ LYS 65 -14.634 6.288 3.867 499 2HZ LYS 65 2HZ LYS 65 -14.316 5.106 2.689 500 3HZ LYS 65 3HZ LYS 65 -14.744 6.643 2.210 501 H GLN 66 H GLN 66 -10.058 2.298 -0.304 502 HA GLN 66 HA GLN 66 -12.434 1.761 1.004 503 1HB GLN 66 2HB GLN 66 -11.115 0.210 -1.299 504 2HB GLN 66 1HB GLN 66 -12.838 0.332 -0.876 505 1HG GLN 66 2HG GLN 66 -12.853 1.821 -2.572 506 2HG GLN 66 1HG GLN 66 -12.439 2.982 -1.275 507 1HE2 GLN 66 1HE2 GLN 66 -11.924 3.164 -4.181 508 2HE2 GLN 66 2HE2 GLN 66 -10.206 3.204 -4.411 509 H GLY 67 H GLY 67 -9.453 -0.097 0.925 510 1HA GLY 67 2HA GLY 67 -9.058 -1.212 2.992 511 2HA GLY 67 1HA GLY 67 -10.711 -1.866 2.944 512 H GLY 68 H GLY 68 -8.718 -1.998 0.045 513 1HA GLY 68 2HA GLY 68 -6.954 -3.573 -0.135 514 2HA GLY 68 1HA GLY 68 -7.892 -4.736 0.842 515 H TYR 69 H TYR 69 -7.843 -3.076 -2.306 516 HA TYR 69 HA TYR 69 -9.369 -5.337 -3.405 517 1HB TYR 69 2HB TYR 69 -8.677 -2.590 -4.555 518 2HB TYR 69 1HB TYR 69 -9.671 -3.847 -5.369 519 HD1 TYR 69 1HD TYR 69 -11.028 -4.316 -2.279 520 HD2 TYR 69 2HD TYR 69 -10.545 -1.228 -5.165 521 HE1 TYR 69 1HE TYR 69 -13.051 -3.274 -1.491 522 HE2 TYR 69 2HE TYR 69 -12.631 -0.199 -4.398 523 HH TYR 69 HH TYR 69 -14.365 -0.301 -2.865 524 H HIS 70 H HIS 70 -8.066 -6.976 -4.166 525 HA HIS 70 HA HIS 70 -5.350 -6.336 -4.778 526 1HB HIS 70 2HB HIS 70 -4.928 -8.660 -5.037 527 2HB HIS 70 1HB HIS 70 -5.925 -8.435 -3.579 528 HD1 HIS 70 1HD HIS 70 -8.356 -9.335 -3.679 529 HD2 HIS 70 2HD HIS 70 -6.143 -10.177 -7.145 530 HE1 HIS 70 1HE HIS 70 -9.551 -11.210 -4.898 531 H PHE 71 H PHE 71 -4.163 -6.948 -6.646 532 HA PHE 71 HA PHE 71 -5.811 -6.476 -9.025 533 1HB PHE 71 2HB PHE 71 -4.315 -5.146 -9.944 534 2HB PHE 71 1HB PHE 71 -4.483 -4.549 -8.235 535 HD1 PHE 71 1HD PHE 71 -2.151 -6.902 -7.558 536 HD2 PHE 71 2HD PHE 71 -2.678 -3.552 -10.107 537 HE1 PHE 71 1HE PHE 71 0.274 -6.769 -7.897 538 HE2 PHE 71 2HE PHE 71 -0.261 -3.427 -10.451 539 HZ PHE 71 HZ PHE 71 1.218 -5.026 -9.342 540 H ASP 72 H ASP 72 -5.849 -7.779 -10.672 541 HA ASP 72 HA ASP 72 -3.694 -9.773 -10.862 542 1HB ASP 72 2HB ASP 72 -6.497 -10.008 -12.084 543 2HB ASP 72 1HB ASP 72 -5.133 -11.203 -12.110 544 H LEU 73 H LEU 73 -3.700 -10.442 -13.440 545 HA LEU 73 HA LEU 73 -3.259 -7.853 -14.811 546 1HB LEU 73 2HB LEU 73 -1.291 -9.289 -14.127 547 2HB LEU 73 1HB LEU 73 -1.913 -10.560 -15.209 548 HG LEU 73 HG LEU 73 -1.717 -8.879 -17.141 549 1HD1 LEU 73 1HD1 LEU 73 -1.744 -6.720 -15.877 550 2HD1 LEU 73 2HD1 LEU 73 -0.164 -6.901 -16.721 551 3HD1 LEU 73 3HD1 LEU 73 -0.272 -7.232 -14.961 552 1HD2 LEU 73 1HD2 LEU 73 0.000 -10.634 -16.682 553 2HD2 LEU 73 2HD2 LEU 73 0.853 -9.513 -15.555 554 3HD2 LEU 73 3HD2 LEU 73 0.754 -9.119 -17.313 555 H LYS 74 H LYS 74 -5.212 -7.521 -16.036 556 HA LYS 74 HA LYS 74 -6.199 -9.514 -17.704 557 1HB LYS 74 2HB LYS 74 -7.432 -7.578 -16.970 558 2HB LYS 74 1HB LYS 74 -6.226 -6.451 -17.674 559 1HG LYS 74 2HG LYS 74 -6.907 -7.176 -19.952 560 2HG LYS 74 1HG LYS 74 -8.004 -8.411 -19.245 561 1HD LYS 74 2HD LYS 74 -9.633 -6.869 -19.420 562 2HD LYS 74 1HD LYS 74 -8.954 -6.198 -17.925 563 1HE LYS 74 2HE LYS 74 -8.510 -5.248 -20.832 564 2HE LYS 74 1HE LYS 74 -9.382 -4.388 -19.502 565 1HZ LYS 74 1HZ LYS 74 -6.473 -4.780 -19.890 566 2HZ LYS 74 2HZ LYS 74 -7.093 -4.419 -18.345 567 3HZ LYS 74 3HZ LYS 74 -7.343 -3.374 -19.621 568 H GLY 75 H GLY 75 -3.735 -6.952 -18.262 569 1HA GLY 75 2HA GLY 75 -2.449 -8.564 -20.162 570 2HA GLY 75 1HA GLY 75 -3.465 -7.315 -20.980 571 H ASP 76 H ASP 76 -2.595 -5.266 -21.192 572 HA ASP 76 HA ASP 76 0.090 -4.875 -20.188 573 1HB ASP 76 2HB ASP 76 -1.784 -3.225 -21.984 574 2HB ASP 76 1HB ASP 76 -0.065 -2.803 -21.644 575 H GLU 77 H GLU 77 -2.363 -4.859 -18.333 576 HA GLU 77 HA GLU 77 -2.084 -2.452 -16.876 577 1HB GLU 77 2HB GLU 77 -3.215 -1.615 -18.939 578 2HB GLU 77 1HB GLU 77 -4.530 -2.793 -18.712 579 1HG GLU 77 2HG GLU 77 -5.452 -1.573 -16.871 580 2HG GLU 77 1HG GLU 77 -3.859 -0.854 -16.430 581 H TRP 78 H TRP 78 -2.888 -2.902 -14.889 582 HA TRP 78 HA TRP 78 -3.768 -5.637 -14.540 583 1HB TRP 78 2HB TRP 78 -2.906 -3.591 -12.456 584 2HB TRP 78 1HB TRP 78 -3.397 -5.275 -12.146 585 HD1 TRP 78 HD TRP 78 -0.588 -3.534 -14.358 586 HE1 TRP 78 1HE TRP 78 1.548 -4.891 -13.992 587 HE3 TRP 78 3HE TRP 78 -2.446 -7.068 -11.227 588 HZ2 TRP 78 2HZ TRP 78 2.384 -7.023 -12.323 589 HZ3 TRP 78 3HZ TRP 78 -0.940 -8.723 -10.272 590 HH2 TRP 78 HH TRP 78 1.434 -8.671 -10.735 591 H ILE 79 H ILE 79 -5.704 -6.248 -13.329 592 HA ILE 79 HA ILE 79 -7.884 -4.458 -13.813 593 HB ILE 79 HB ILE 79 -7.578 -6.180 -15.454 594 1HG1 ILE 79 2HG1 ILE 79 -9.699 -6.515 -13.415 595 2HG1 ILE 79 1HG1 ILE 79 -9.831 -5.716 -15.046 596 1HG2 ILE 79 1HG2 ILE 79 -7.583 -8.217 -13.108 597 2HG2 ILE 79 2HG2 ILE 79 -6.171 -7.819 -14.169 598 3HG2 ILE 79 3HG2 ILE 79 -7.589 -8.635 -14.853 599 1HD1 ILE 79 1HD1 ILE 79 -9.806 -8.759 -14.520 600 2HD1 ILE 79 2HD1 ILE 79 -9.679 -7.997 -16.154 601 3HD1 ILE 79 3HD1 ILE 79 -11.151 -7.760 -15.155 602 H CYS 80 H CYS 80 -9.153 -4.166 -12.042 603 HA CYS 80 HA CYS 80 -7.947 -5.064 -9.621 604 1HB CYS 80 2HB CYS 80 -10.247 -3.113 -9.949 605 2HB CYS 80 1HB CYS 80 -9.464 -3.549 -8.422 606 HG CYS 80 HG CYS 80 -7.213 -2.659 -8.777 607 H ASP 81 H ASP 81 -8.934 -6.306 -7.996 608 HA ASP 81 HA ASP 81 -10.675 -8.250 -8.323 609 1HB ASP 81 2HB ASP 81 -9.172 -7.940 -6.442 610 2HB ASP 81 1HB ASP 81 -10.045 -6.466 -5.905 611 H ARG 82 H ARG 82 -11.696 -4.998 -7.114 612 HA ARG 82 HA ARG 82 -14.378 -5.613 -7.963 613 1HB ARG 82 2HB ARG 82 -15.363 -5.251 -5.688 614 2HB ARG 82 1HB ARG 82 -14.398 -6.735 -5.841 615 1HG ARG 82 2HG ARG 82 -12.449 -5.662 -4.690 616 2HG ARG 82 1HG ARG 82 -13.378 -4.159 -4.496 617 1HD ARG 82 2HD ARG 82 -14.232 -6.929 -3.412 618 2HD ARG 82 1HD ARG 82 -13.323 -5.681 -2.461 619 HE ARG 82 HE ARG 82 -15.599 -4.328 -3.521 620 1HH1 ARG 82 1HH1 ARG 82 -15.055 -7.035 -1.250 621 2HH1 ARG 82 2HH1 ARG 82 -16.118 -6.359 -0.069 622 1HH2 ARG 82 1HH2 ARG 82 -17.237 -3.729 -2.192 623 2HH2 ARG 82 2HH2 ARG 82 -17.574 -4.615 -0.721 624 H SER 83 H SER 83 -15.843 -3.737 -7.105 625 HA SER 83 HA SER 83 -16.401 -1.684 -7.187 626 1HB SER 83 2HB SER 83 -14.392 -1.174 -5.750 627 2HB SER 83 1HB SER 83 -13.538 -0.630 -7.224 628 HG SER 83 HG SER 83 -14.965 1.011 -7.406 629 H GLY 84 H GLY 84 -13.457 -1.584 -9.248 630 1HA GLY 84 2HA GLY 84 -14.960 -1.584 -11.642 631 2HA GLY 84 1HA GLY 84 -14.484 0.085 -11.130 632 H GLU 85 H GLU 85 -13.406 -2.907 -12.629 633 HA GLU 85 HA GLU 85 -10.885 -2.897 -11.782 634 1HB GLU 85 2HB GLU 85 -10.536 -4.343 -13.863 635 2HB GLU 85 1HB GLU 85 -11.553 -4.865 -12.498 636 1HG GLU 85 2HG GLU 85 -12.706 -5.603 -14.361 637 2HG GLU 85 1HG GLU 85 -13.656 -4.240 -13.737 638 H THR 86 H THR 86 -9.431 -1.368 -11.849 639 HA THR 86 HA THR 86 -7.851 -1.498 -14.044 640 HB THR 86 HB THR 86 -8.506 1.464 -13.453 641 HG1 THR 86 1HG THR 86 -10.093 -0.124 -15.010 642 1HG2 THR 86 1HG2 THR 86 -7.722 1.741 -15.801 643 2HG2 THR 86 2HG2 THR 86 -7.686 -0.045 -16.050 644 3HG2 THR 86 3HG2 THR 86 -6.506 0.737 -14.928 645 H PHE 87 H PHE 87 -5.761 -1.370 -13.351 646 HA PHE 87 HA PHE 87 -5.032 -0.946 -10.891 647 1HB PHE 87 2HB PHE 87 -3.813 -1.921 -12.835 648 2HB PHE 87 1HB PHE 87 -3.442 -0.289 -13.437 649 HD1 PHE 87 1HD PHE 87 -1.218 -1.271 -13.488 650 HD2 PHE 87 2HD PHE 87 -3.160 -0.503 -9.765 651 HE1 PHE 87 1HE PHE 87 0.937 -1.221 -12.357 652 HE2 PHE 87 2HE PHE 87 -1.029 -0.347 -8.681 653 HZ PHE 87 HZ PHE 87 1.051 -0.737 -9.940 654 H TRP 88 H TRP 88 -3.641 1.614 -13.045 655 HA TRP 88 HA TRP 88 -3.091 3.026 -10.712 656 1HB TRP 88 2HB TRP 88 -2.878 4.043 -13.611 657 2HB TRP 88 1HB TRP 88 -2.133 4.705 -12.144 658 HD1 TRP 88 HD TRP 88 -1.417 2.239 -14.875 659 HE1 TRP 88 1HE TRP 88 0.736 0.991 -14.385 660 HE3 TRP 88 3HE TRP 88 -0.719 3.768 -10.090 661 HZ2 TRP 88 2HZ TRP 88 2.740 1.005 -12.330 662 HZ3 TRP 88 3HZ TRP 88 1.342 3.124 -8.923 663 HH2 TRP 88 HH TRP 88 3.033 1.771 -10.018 664 H ASP 89 H ASP 89 -5.655 3.160 -13.041 665 HA ASP 89 HA ASP 89 -6.578 5.767 -12.449 666 1HB ASP 89 2HB ASP 89 -7.855 3.294 -13.771 667 2HB ASP 89 1HB ASP 89 -8.643 4.917 -13.690 668 H LEU 90 H LEU 90 -7.630 2.525 -11.135 669 HA LEU 90 HA LEU 90 -9.581 3.774 -9.566 670 1HB LEU 90 2HB LEU 90 -9.620 1.379 -10.198 671 2HB LEU 90 1HB LEU 90 -8.171 1.077 -9.218 672 HG LEU 90 HG LEU 90 -9.339 1.691 -7.166 673 1HD1 LEU 90 1HD1 LEU 90 -11.853 2.081 -8.921 674 2HD1 LEU 90 2HD1 LEU 90 -11.019 3.363 -7.956 675 3HD1 LEU 90 3HD1 LEU 90 -11.858 2.008 -7.127 676 1HD2 LEU 90 1HD2 LEU 90 -10.991 -0.244 -7.089 677 2HD2 LEU 90 2HD2 LEU 90 -9.430 -0.694 -7.883 678 3HD2 LEU 90 3HD2 LEU 90 -10.894 -0.358 -8.880 679 H LEU 91 H LEU 91 -6.301 2.641 -9.024 680 HA LEU 91 HA LEU 91 -5.925 3.493 -6.423 681 1HB LEU 91 2HB LEU 91 -4.362 2.039 -7.667 682 2HB LEU 91 1HB LEU 91 -3.898 3.415 -8.698 683 HG LEU 91 HG LEU 91 -2.902 4.589 -6.775 684 1HD1 LEU 91 1HD1 LEU 91 -2.593 3.476 -4.568 685 2HD1 LEU 91 2HD1 LEU 91 -3.691 2.139 -5.070 686 3HD1 LEU 91 3HD1 LEU 91 -4.325 3.824 -4.886 687 1HD2 LEU 91 1HD2 LEU 91 -0.983 3.074 -6.399 688 2HD2 LEU 91 2HD2 LEU 91 -1.531 2.981 -8.116 689 3HD2 LEU 91 3HD2 LEU 91 -1.954 1.660 -6.961 690 H GLU 92 H GLU 92 -5.516 5.481 -9.402 691 HA GLU 92 HA GLU 92 -4.718 7.789 -8.237 692 1HB GLU 92 2HB GLU 92 -4.856 7.380 -10.680 693 2HB GLU 92 1HB GLU 92 -6.639 7.435 -10.588 694 1HG GLU 92 2HG GLU 92 -6.450 9.884 -9.868 695 2HG GLU 92 1HG GLU 92 -4.662 9.747 -10.076 696 H GLN 93 H GLN 93 -8.146 6.720 -8.720 697 HA GLN 93 HA GLN 93 -9.222 8.915 -7.377 698 1HB GLN 93 2HB GLN 93 -10.091 6.278 -8.394 699 2HB GLN 93 1HB GLN 93 -11.037 6.824 -6.994 700 1HG GLN 93 2HG GLN 93 -12.047 7.538 -9.186 701 2HG GLN 93 1HG GLN 93 -11.682 8.895 -8.076 702 1HE2 GLN 93 1HE2 GLN 93 -10.251 7.094 -10.898 703 2HE2 GLN 93 2HE2 GLN 93 -9.435 8.485 -11.546 704 H ALA 94 H ALA 94 -8.275 5.745 -6.035 705 HA ALA 94 HA ALA 94 -9.135 6.230 -3.438 706 1HB ALA 94 1HB ALA 94 -8.566 4.050 -4.591 707 2HB ALA 94 2HB ALA 94 -7.852 4.237 -2.948 708 3HB ALA 94 3HB ALA 94 -6.832 4.470 -4.430 709 H ALA 95 H ALA 95 -5.942 6.817 -4.943 710 HA ALA 95 HA ALA 95 -4.803 7.743 -2.519 711 1HB ALA 95 1HB ALA 95 -3.474 6.478 -4.138 712 2HB ALA 95 2HB ALA 95 -2.788 8.124 -3.948 713 3HB ALA 95 3HB ALA 95 -3.782 7.708 -5.404 714 H THR 96 H THR 96 -6.079 9.458 -5.429 715 HA THR 96 HA THR 96 -5.336 11.984 -4.557 716 HB THR 96 HB THR 96 -7.321 12.900 -5.751 717 HG1 THR 96 1HG THR 96 -7.574 10.251 -6.654 718 1HG2 THR 96 1HG2 THR 96 -6.471 12.427 -7.983 719 2HG2 THR 96 2HG2 THR 96 -5.581 10.968 -7.405 720 3HG2 THR 96 3HG2 THR 96 -5.090 12.603 -6.828 721 H GLN 97 H GLN 97 -8.052 9.992 -3.741 722 HA GLN 97 HA GLN 97 -9.455 11.788 -2.096 723 1HB GLN 97 2HB GLN 97 -10.472 9.744 -2.836 724 2HB GLN 97 1HB GLN 97 -9.118 8.772 -2.238 725 1HG GLN 97 2HG GLN 97 -10.914 8.302 -0.817 726 2HG GLN 97 1HG GLN 97 -9.844 9.280 0.194 727 1HE2 GLN 97 1HE2 GLN 97 -10.703 11.175 1.096 728 2HE2 GLN 97 2HE2 GLN 97 -12.264 11.850 0.681 729 H GLN 98 H GLN 98 -7.268 9.165 -0.987 730 HA GLN 98 HA GLN 98 -7.181 10.133 1.610 731 1HB GLN 98 2HB GLN 98 -5.224 8.379 0.075 732 2HB GLN 98 1HB GLN 98 -5.170 8.593 1.853 733 1HG GLN 98 2HG GLN 98 -7.723 7.548 0.496 734 2HG GLN 98 1HG GLN 98 -6.317 6.484 0.808 735 1HE2 GLN 98 1HE2 GLN 98 -8.471 8.836 2.659 736 2HE2 GLN 98 2HE2 GLN 98 -8.355 7.898 4.113 737 H ALA 99 H ALA 99 -4.792 10.819 -1.003 738 HA ALA 99 HA ALA 99 -3.090 12.167 0.826 739 1HB ALA 99 1HB ALA 99 -1.757 12.692 -1.202 740 2HB ALA 99 2HB ALA 99 -3.107 12.105 -2.245 741 3HB ALA 99 3HB ALA 99 -2.226 10.960 -1.171 742 H GLY 100 H GLY 100 -5.674 13.158 -1.365 743 1HA GLY 100 2HA GLY 100 -6.970 14.895 -0.969 744 2HA GLY 100 1HA GLY 100 -5.699 15.704 0.004 745 H GLU 101 H GLU 101 -4.916 14.533 -3.197 746 HA GLU 101 HA GLU 101 -5.369 16.918 -4.584 747 1HB GLU 101 2HB GLU 101 -3.075 17.792 -4.753 748 2HB GLU 101 1HB GLU 101 -3.641 17.831 -3.063 749 1HG GLU 101 2HG GLU 101 -2.366 15.645 -2.641 750 2HG GLU 101 1HG GLU 101 -1.675 15.793 -4.293 751 H THR 102 H THR 102 -3.766 16.820 -6.682 752 HA THR 102 HA THR 102 -4.443 14.365 -7.816 753 HB THR 102 HB THR 102 -2.476 16.349 -8.969 754 HG1 THR 102 1HG THR 102 -4.296 17.401 -8.673 755 1HG2 THR 102 1HG2 THR 102 -2.483 14.117 -10.158 756 2HG2 THR 102 2HG2 THR 102 -3.334 15.346 -11.133 757 3HG2 THR 102 3HG2 THR 102 -4.280 14.136 -10.195 758 H VAL 103 H VAL 103 -3.447 12.442 -7.844 759 HA VAL 103 HA VAL 103 -0.697 12.264 -6.954 760 HB VAL 103 HB VAL 103 -2.673 11.136 -5.859 761 1HG1 VAL 103 1HG1 VAL 103 -2.418 9.151 -8.210 762 2HG1 VAL 103 2HG1 VAL 103 -3.725 10.379 -8.112 763 3HG1 VAL 103 3HG1 VAL 103 -3.588 9.111 -6.841 764 1HG2 VAL 103 1HG2 VAL 103 -1.442 9.092 -5.365 765 2HG2 VAL 103 2HG2 VAL 103 -0.357 10.524 -5.338 766 3HG2 VAL 103 3HG2 VAL 103 -0.309 9.379 -6.745 767 H SER 104 H SER 104 0.783 11.386 -8.277 768 HA SER 104 HA SER 104 -0.007 11.577 -11.132 769 1HB SER 104 2HB SER 104 1.375 13.412 -9.933 770 2HB SER 104 1HB SER 104 2.749 12.294 -10.022 771 HG SER 104 HG SER 104 2.125 12.207 -12.374 772 H PHE 105 H PHE 105 -0.353 9.062 -11.112 773 HA PHE 105 HA PHE 105 2.213 7.730 -11.357 774 1HB PHE 105 2HB PHE 105 -0.672 6.636 -11.487 775 2HB PHE 105 1HB PHE 105 0.897 5.736 -11.378 776 HD1 PHE 105 1HD PHE 105 2.351 6.233 -9.316 777 HD2 PHE 105 2HD PHE 105 -1.832 6.925 -9.536 778 HE1 PHE 105 1HE PHE 105 2.193 6.034 -6.880 779 HE2 PHE 105 2HE PHE 105 -1.996 6.727 -7.100 780 HZ PHE 105 HZ PHE 105 0.010 6.265 -5.769 781 H ARG 106 H ARG 106 -0.674 8.853 -13.114 782 HA ARG 106 HA ARG 106 0.036 7.289 -15.432 783 1HB ARG 106 2HB ARG 106 -2.236 9.289 -15.112 784 2HB ARG 106 1HB ARG 106 -2.078 7.990 -16.327 785 1HG ARG 106 2HG ARG 106 -2.188 6.311 -14.370 786 2HG ARG 106 1HG ARG 106 -2.589 7.694 -13.304 787 1HD ARG 106 2HD ARG 106 -4.221 6.550 -15.618 788 2HD ARG 106 1HD ARG 106 -4.686 6.638 -13.876 789 HE ARG 106 HE ARG 106 -4.622 9.217 -14.205 790 1HH1 ARG 106 1HH1 ARG 106 -6.270 7.064 -16.326 791 2HH1 ARG 106 2HH1 ARG 106 -6.685 8.211 -17.501 792 1HH2 ARG 106 1HH2 ARG 106 -4.836 10.797 -16.019 793 2HH2 ARG 106 2HH2 ARG 106 -5.792 10.329 -17.374 Start of MODEL 6 1 HA MET 1 HA MET 1 1.547 -16.359 -16.218 2 1HB MET 1 2HB MET 1 -0.809 -16.831 -14.304 3 2HB MET 1 1HB MET 1 0.396 -15.517 -14.126 4 1HG MET 1 2HG MET 1 -0.242 -14.709 -16.450 5 2HG MET 1 1HG MET 1 -1.553 -15.917 -16.468 6 1HE MET 1 1HE MET 1 -3.249 -12.478 -16.305 7 2HE MET 1 2HE MET 1 -3.023 -14.036 -17.176 8 3HE MET 1 3HE MET 1 -1.657 -12.872 -17.026 9 H ASN 2 H ASN 2 3.133 -16.204 -14.551 10 HA ASN 2 HA ASN 2 3.623 -18.795 -13.224 11 1HB ASN 2 2HB ASN 2 5.597 -17.006 -14.762 12 2HB ASN 2 1HB ASN 2 6.036 -18.495 -13.846 13 1HD2 ASN 2 1HD2 ASN 2 4.492 -17.269 -16.845 14 2HD2 ASN 2 2HD2 ASN 2 4.235 -18.850 -17.524 15 H ASP 3 H ASP 3 5.137 -18.811 -11.447 16 HA ASP 3 HA ASP 3 4.785 -16.622 -9.730 17 1HB ASP 3 2HB ASP 3 6.157 -18.037 -8.164 18 2HB ASP 3 1HB ASP 3 4.649 -18.778 -8.791 19 H SER 4 H SER 4 7.342 -17.633 -11.921 20 HA SER 4 HA SER 4 9.332 -15.908 -11.074 21 1HB SER 4 2HB SER 4 10.134 -16.097 -13.460 22 2HB SER 4 1HB SER 4 9.771 -17.669 -12.680 23 HG SER 4 HG SER 4 8.899 -17.608 -14.726 24 H GLU 5 H GLU 5 6.851 -15.431 -13.541 25 HA GLU 5 HA GLU 5 7.212 -12.761 -14.085 26 1HB GLU 5 2HB GLU 5 4.641 -14.404 -13.972 27 2HB GLU 5 1HB GLU 5 4.763 -12.794 -14.739 28 1HG GLU 5 2HG GLU 5 6.269 -13.598 -16.463 29 2HG GLU 5 1HG GLU 5 6.470 -15.197 -15.664 30 H PHE 6 H PHE 6 4.843 -14.081 -11.645 31 HA PHE 6 HA PHE 6 4.106 -11.785 -10.545 32 1HB PHE 6 2HB PHE 6 3.262 -14.101 -10.070 33 2HB PHE 6 1HB PHE 6 4.746 -14.434 -9.108 34 HD1 PHE 6 1HD PHE 6 4.573 -14.067 -6.827 35 HD2 PHE 6 2HD PHE 6 2.033 -11.884 -9.438 36 HE1 PHE 6 1HE PHE 6 3.424 -13.090 -4.891 37 HE2 PHE 6 2HE PHE 6 0.905 -10.886 -7.521 38 HZ PHE 6 HZ PHE 6 1.602 -11.490 -5.221 39 H HIS 7 H HIS 7 7.103 -13.526 -9.624 40 HA HIS 7 HA HIS 7 7.815 -11.729 -7.597 41 1HB HIS 7 2HB HIS 7 9.571 -13.508 -9.378 42 2HB HIS 7 1HB HIS 7 10.179 -12.541 -7.996 43 HD1 HIS 7 1HD HIS 7 11.007 -14.657 -6.916 44 HD2 HIS 7 2HD HIS 7 6.828 -14.547 -7.285 45 HE1 HIS 7 1HE HIS 7 10.087 -16.482 -5.448 46 H ARG 8 H ARG 8 8.844 -11.760 -11.043 47 HA ARG 8 HA ARG 8 10.498 -9.537 -10.819 48 1HB ARG 8 2HB ARG 8 8.944 -10.754 -13.151 49 2HB ARG 8 1HB ARG 8 10.176 -9.471 -13.370 50 1HG ARG 8 2HG ARG 8 11.955 -10.891 -12.527 51 2HG ARG 8 1HG ARG 8 10.802 -12.147 -11.985 52 1HD ARG 8 2HD ARG 8 10.099 -12.583 -14.319 53 2HD ARG 8 1HD ARG 8 11.323 -11.390 -14.936 54 HE ARG 8 HE ARG 8 12.810 -13.076 -13.251 55 1HH1 ARG 8 1HH1 ARG 8 10.555 -13.810 -15.977 56 2HH1 ARG 8 2HH1 ARG 8 11.425 -15.294 -16.317 57 1HH2 ARG 8 1HH2 ARG 8 13.839 -15.089 -13.892 58 2HH2 ARG 8 2HH2 ARG 8 13.149 -15.948 -15.257 59 H LEU 9 H LEU 9 7.029 -9.748 -11.669 60 HA LEU 9 HA LEU 9 6.664 -7.030 -12.137 61 1HB LEU 9 2HB LEU 9 4.826 -9.316 -11.329 62 2HB LEU 9 1HB LEU 9 4.219 -7.667 -11.666 63 HG LEU 9 HG LEU 9 5.849 -9.311 -13.677 64 1HD1 LEU 9 1HD1 LEU 9 3.734 -9.891 -14.791 65 2HD1 LEU 9 2HD1 LEU 9 2.785 -9.013 -13.538 66 3HD1 LEU 9 3HD1 LEU 9 3.717 -10.497 -13.096 67 1HD2 LEU 9 1HD2 LEU 9 4.046 -6.828 -14.049 68 2HD2 LEU 9 2HD2 LEU 9 4.882 -7.739 -15.357 69 3HD2 LEU 9 3HD2 LEU 9 5.851 -6.848 -14.130 70 H ALA 10 H ALA 10 6.330 -8.965 -9.122 71 HA ALA 10 HA ALA 10 5.244 -6.976 -7.570 72 1HB ALA 10 1HB ALA 10 6.008 -8.374 -5.646 73 2HB ALA 10 2HB ALA 10 7.030 -9.347 -6.771 74 3HB ALA 10 3HB ALA 10 5.238 -9.370 -6.929 75 H ASP 11 H ASP 11 8.704 -7.957 -7.824 76 HA ASP 11 HA ASP 11 9.723 -5.944 -6.241 77 1HB ASP 11 2HB ASP 11 10.793 -7.616 -8.581 78 2HB ASP 11 1HB ASP 11 11.818 -6.376 -7.766 79 H GLN 12 H GLN 12 9.109 -5.853 -9.822 80 HA GLN 12 HA GLN 12 10.156 -3.255 -9.876 81 1HB GLN 12 2HB GLN 12 9.686 -2.968 -12.043 82 2HB GLN 12 1HB GLN 12 10.044 -4.707 -11.885 83 1HG GLN 12 2HG GLN 12 7.623 -5.242 -12.021 84 2HG GLN 12 1HG GLN 12 7.191 -3.502 -12.083 85 1HE2 GLN 12 1HE2 GLN 12 8.742 -2.308 -13.956 86 2HE2 GLN 12 2HE2 GLN 12 8.547 -3.119 -15.479 87 H LEU 13 H LEU 13 6.647 -4.223 -9.473 88 HA LEU 13 HA LEU 13 5.831 -1.602 -9.697 89 1HB LEU 13 2HB LEU 13 3.745 -2.335 -8.843 90 2HB LEU 13 1HB LEU 13 4.356 -3.401 -10.158 91 HG LEU 13 HG LEU 13 5.123 -4.890 -8.046 92 1HD1 LEU 13 1HD1 LEU 13 2.586 -3.456 -6.995 93 2HD1 LEU 13 2HD1 LEU 13 4.224 -3.322 -6.259 94 3HD1 LEU 13 3HD1 LEU 13 3.372 -4.903 -6.272 95 1HD2 LEU 13 1HD2 LEU 13 2.257 -4.747 -9.179 96 2HD2 LEU 13 2HD2 LEU 13 2.995 -6.175 -8.359 97 3HD2 LEU 13 3HD2 LEU 13 3.651 -5.600 -9.933 98 H TRP 14 H TRP 14 6.777 -3.426 -6.820 99 HA TRP 14 HA TRP 14 6.331 -1.401 -4.958 100 1HB TRP 14 2HB TRP 14 8.425 -3.603 -5.109 101 2HB TRP 14 1HB TRP 14 8.369 -2.439 -3.753 102 HD1 TRP 14 HD TRP 14 4.840 -2.747 -3.991 103 HE1 TRP 14 1HE TRP 14 4.003 -4.540 -2.369 104 HE3 TRP 14 3HE TRP 14 9.205 -5.239 -3.283 105 HZ2 TRP 14 2HZ TRP 14 5.072 -6.747 -0.984 106 HZ3 TRP 14 3HZ TRP 14 9.229 -7.176 -1.784 107 HH2 TRP 14 HH TRP 14 7.203 -7.932 -0.672 108 H LEU 15 H LEU 15 9.502 -1.857 -6.689 109 HA LEU 15 HA LEU 15 10.471 0.509 -5.613 110 1HB LEU 15 2HB LEU 15 11.275 -0.642 -8.332 111 2HB LEU 15 1HB LEU 15 12.255 0.429 -7.272 112 HG LEU 15 HG LEU 15 11.300 -2.381 -6.646 113 1HD1 LEU 15 1HD1 LEU 15 13.694 -3.086 -6.987 114 2HD1 LEU 15 2HD1 LEU 15 14.114 -1.398 -7.462 115 3HD1 LEU 15 3HD1 LEU 15 12.979 -2.360 -8.488 116 1HD2 LEU 15 1HD2 LEU 15 11.669 -1.116 -4.522 117 2HD2 LEU 15 2HD2 LEU 15 13.282 -0.574 -5.094 118 3HD2 LEU 15 3HD2 LEU 15 12.988 -2.318 -4.733 119 H THR 16 H THR 16 8.720 -0.067 -8.490 120 HA THR 16 HA THR 16 8.893 2.411 -9.770 121 HB THR 16 HB THR 16 6.407 0.667 -9.704 122 HG1 THR 16 1HG THR 16 8.195 -0.374 -10.517 123 1HG2 THR 16 1HG2 THR 16 5.966 1.804 -11.927 124 2HG2 THR 16 2HG2 THR 16 7.401 2.849 -11.666 125 3HG2 THR 16 3HG2 THR 16 5.959 2.996 -10.587 126 H ILE 17 H ILE 17 6.192 1.400 -7.590 127 HA ILE 17 HA ILE 17 5.226 3.971 -7.323 128 HB ILE 17 HB ILE 17 4.902 1.553 -5.563 129 1HG1 ILE 17 2HG1 ILE 17 4.124 1.208 -7.923 130 2HG1 ILE 17 1HG1 ILE 17 2.806 1.222 -6.728 131 1HG2 ILE 17 1HG2 ILE 17 4.240 3.459 -4.218 132 2HG2 ILE 17 2HG2 ILE 17 2.742 2.741 -4.897 133 3HG2 ILE 17 3HG2 ILE 17 3.409 4.251 -5.615 134 1HD1 ILE 17 1HD1 ILE 17 2.127 2.418 -8.763 135 2HD1 ILE 17 2HD1 ILE 17 3.511 3.552 -8.626 136 3HD1 ILE 17 3HD1 ILE 17 2.190 3.573 -7.394 137 H GLU 18 H GLU 18 7.761 2.371 -5.172 138 HA GLU 18 HA GLU 18 7.837 4.272 -3.279 139 1HB GLU 18 2HB GLU 18 10.079 2.793 -4.765 140 2HB GLU 18 1HB GLU 18 10.297 3.790 -3.285 141 1HG GLU 18 2HG GLU 18 9.085 2.242 -1.888 142 2HG GLU 18 1HG GLU 18 8.670 1.202 -3.299 143 H GLU 19 H GLU 19 9.573 4.255 -6.427 144 HA GLU 19 HA GLU 19 10.822 6.709 -6.019 145 1HB GLU 19 2HB GLU 19 11.448 4.830 -7.643 146 2HB GLU 19 1HB GLU 19 10.145 5.424 -8.692 147 1HG GLU 19 2HG GLU 19 11.898 6.636 -9.624 148 2HG GLU 19 1HG GLU 19 11.496 7.815 -8.338 149 H ARG 20 H ARG 20 7.730 5.945 -7.601 150 HA ARG 20 HA ARG 20 7.044 8.439 -8.591 151 1HB ARG 20 2HB ARG 20 5.704 6.612 -9.117 152 2HB ARG 20 1HB ARG 20 5.417 6.190 -7.409 153 1HG ARG 20 2HG ARG 20 4.027 8.159 -7.052 154 2HG ARG 20 1HG ARG 20 4.425 8.825 -8.667 155 1HD ARG 20 2HD ARG 20 3.181 7.152 -9.816 156 2HD ARG 20 1HD ARG 20 3.057 6.074 -8.392 157 HE ARG 20 HE ARG 20 1.475 8.587 -8.864 158 1HH1 ARG 20 1HH1 ARG 20 2.528 6.230 -6.425 159 2HH1 ARG 20 2HH1 ARG 20 1.013 6.213 -5.571 160 1HH2 ARG 20 1HH2 ARG 20 -0.543 8.677 -7.561 161 2HH2 ARG 20 2HH2 ARG 20 -0.631 7.656 -6.162 162 H LEU 21 H LEU 21 6.453 7.153 -5.269 163 HA LEU 21 HA LEU 21 5.406 9.645 -4.403 164 1HB LEU 21 2HB LEU 21 6.289 7.110 -2.945 165 2HB LEU 21 1HB LEU 21 5.845 8.582 -2.050 166 HG LEU 21 HG LEU 21 3.969 7.267 -1.975 167 1HD1 LEU 21 1HD1 LEU 21 3.288 9.185 -4.290 168 2HD1 LEU 21 2HD1 LEU 21 3.477 9.689 -2.570 169 3HD1 LEU 21 3HD1 LEU 21 2.178 8.528 -3.037 170 1HD2 LEU 21 1HD2 LEU 21 4.485 5.624 -3.703 171 2HD2 LEU 21 2HD2 LEU 21 4.097 6.808 -5.011 172 3HD2 LEU 21 3HD2 LEU 21 2.795 6.226 -3.894 173 H ASP 22 H ASP 22 8.630 8.143 -3.937 174 HA ASP 22 HA ASP 22 9.650 10.025 -2.313 175 1HB ASP 22 2HB ASP 22 10.591 7.774 -3.101 176 2HB ASP 22 1HB ASP 22 11.166 8.605 -4.581 177 H ASP 23 H ASP 23 9.597 10.167 -5.904 178 HA ASP 23 HA ASP 23 10.994 12.609 -6.031 179 1HB ASP 23 2HB ASP 23 10.930 10.867 -7.804 180 2HB ASP 23 1HB ASP 23 9.182 11.166 -8.036 181 H TRP 24 H TRP 24 7.597 11.884 -5.458 182 HA TRP 24 HA TRP 24 6.636 14.349 -6.474 183 1HB TRP 24 2HB TRP 24 5.367 12.175 -6.319 184 2HB TRP 24 1HB TRP 24 5.346 12.368 -4.547 185 HD1 TRP 24 HD TRP 24 3.599 14.377 -3.636 186 HE1 TRP 24 1HE TRP 24 1.525 15.416 -4.783 187 HE3 TRP 24 3HE TRP 24 4.441 12.806 -8.388 188 HZ2 TRP 24 2HZ TRP 24 0.321 15.345 -7.302 189 HZ3 TRP 24 3HZ TRP 24 2.773 13.282 -10.107 190 HH2 TRP 24 HH TRP 24 0.742 14.525 -9.583 191 H ASP 25 H ASP 25 5.838 16.160 -5.350 192 HA ASP 25 HA ASP 25 5.690 16.140 -2.545 193 1HB ASP 25 2HB ASP 25 7.647 18.032 -3.997 194 2HB ASP 25 1HB ASP 25 6.782 18.565 -2.514 195 H GLY 26 H GLY 26 4.359 18.132 -1.958 196 1HA GLY 26 2HA GLY 26 3.335 19.640 -4.158 197 2HA GLY 26 1HA GLY 26 2.179 18.427 -3.484 198 H ASP 27 H ASP 27 0.697 19.657 -2.415 199 HA ASP 27 HA ASP 27 1.399 21.846 -0.763 200 1HB ASP 27 2HB ASP 27 -0.986 20.318 -1.663 201 2HB ASP 27 1HB ASP 27 -1.106 20.691 0.081 202 H SER 28 H SER 28 1.211 18.376 -0.370 203 HA SER 28 HA SER 28 1.980 18.698 2.451 204 1HB SER 28 2HB SER 28 0.969 16.624 3.004 205 2HB SER 28 1HB SER 28 -0.242 17.649 2.173 206 HG SER 28 HG SER 28 0.484 16.380 0.220 207 H ASP 29 H ASP 29 3.258 16.709 3.240 208 HA ASP 29 HA ASP 29 5.447 16.359 1.375 209 1HB ASP 29 2HB ASP 29 5.545 17.365 3.802 210 2HB ASP 29 1HB ASP 29 5.455 15.663 4.356 211 H ILE 30 H ILE 30 6.539 13.942 2.506 212 HA ILE 30 HA ILE 30 4.660 11.916 2.115 213 HB ILE 30 HB ILE 30 4.583 12.669 -0.134 214 1HG1 ILE 30 2HG1 ILE 30 5.439 10.748 -1.391 215 2HG1 ILE 30 1HG1 ILE 30 6.343 10.156 0.025 216 1HG2 ILE 30 1HG2 ILE 30 6.646 14.007 -0.293 217 2HG2 ILE 30 2HG2 ILE 30 6.564 12.792 -1.603 218 3HG2 ILE 30 3HG2 ILE 30 7.659 12.515 -0.216 219 1HD1 ILE 30 1HD1 ILE 30 4.106 9.016 -0.322 220 2HD1 ILE 30 2HD1 ILE 30 3.274 10.594 -0.083 221 3HD1 ILE 30 3HD1 ILE 30 4.176 9.834 1.286 222 H ASP 31 H ASP 31 5.396 10.411 3.391 223 HA ASP 31 HA ASP 31 8.153 9.521 2.938 224 1HB ASP 31 2HB ASP 31 7.902 10.897 5.093 225 2HB ASP 31 1HB ASP 31 6.819 9.601 5.698 226 H CYS 32 H CYS 32 7.830 7.642 1.838 227 HA CYS 32 HA CYS 32 5.705 5.867 2.652 228 1HB CYS 32 2HB CYS 32 6.589 6.113 0.238 229 2HB CYS 32 1HB CYS 32 8.071 5.390 0.845 230 HG CYS 32 HG CYS 32 6.963 3.069 1.536 231 H GLU 33 H GLU 33 5.861 3.924 3.796 232 HA GLU 33 HA GLU 33 8.372 3.409 5.183 233 1HB GLU 33 2HB GLU 33 5.723 1.897 5.261 234 2HB GLU 33 1HB GLU 33 7.168 1.548 6.257 235 1HG GLU 33 2HG GLU 33 6.875 3.940 7.250 236 2HG GLU 33 1HG GLU 33 5.237 3.931 6.506 237 H ILE 34 H ILE 34 9.643 1.660 4.719 238 HA ILE 34 HA ILE 34 8.674 -0.266 2.744 239 HB ILE 34 HB ILE 34 11.571 0.541 2.977 240 1HG1 ILE 34 2HG1 ILE 34 11.110 1.353 0.510 241 2HG1 ILE 34 1HG1 ILE 34 9.435 1.617 1.072 242 1HG2 ILE 34 1HG2 ILE 34 9.964 -1.110 0.922 243 2HG2 ILE 34 2HG2 ILE 34 10.991 -1.819 2.226 244 3HG2 ILE 34 3HG2 ILE 34 11.741 -0.853 0.919 245 1HD1 ILE 34 1HD1 ILE 34 10.886 3.690 1.247 246 2HD1 ILE 34 2HD1 ILE 34 11.988 2.801 2.370 247 3HD1 ILE 34 3HD1 ILE 34 10.298 3.168 2.869 248 H ASN 35 H ASN 35 8.273 -1.807 3.905 249 HA ASN 35 HA ASN 35 9.981 -2.602 6.200 250 1HB ASN 35 2HB ASN 35 8.012 -1.214 6.871 251 2HB ASN 35 1HB ASN 35 6.922 -2.409 6.101 252 1HD2 ASN 35 1HD2 ASN 35 5.946 -2.375 8.265 253 2HD2 ASN 35 2HD2 ASN 35 6.623 -3.394 9.522 254 H GLY 36 H GLY 36 10.847 -4.143 4.533 255 1HA GLY 36 2HA GLY 36 11.231 -6.278 4.359 256 2HA GLY 36 1HA GLY 36 9.774 -6.633 5.335 257 H GLY 37 H GLY 37 7.713 -6.440 4.161 258 1HA GLY 37 2HA GLY 37 7.829 -6.733 1.281 259 2HA GLY 37 1HA GLY 37 7.061 -8.057 2.246 260 H VAL 38 H VAL 38 7.000 -4.751 3.298 261 HA VAL 38 HA VAL 38 4.216 -4.391 2.409 262 HB VAL 38 HB VAL 38 5.557 -3.683 5.048 263 1HG1 VAL 38 1HG1 VAL 38 3.244 -2.784 5.653 264 2HG1 VAL 38 2HG1 VAL 38 2.801 -2.894 3.909 265 3HG1 VAL 38 3HG1 VAL 38 4.114 -1.782 4.450 266 1HG2 VAL 38 1HG2 VAL 38 3.719 -5.114 6.004 267 2HG2 VAL 38 2HG2 VAL 38 4.826 -6.049 4.939 268 3HG2 VAL 38 3HG2 VAL 38 3.206 -5.548 4.330 269 H LEU 39 H LEU 39 3.913 -2.419 1.278 270 HA LEU 39 HA LEU 39 5.756 -0.291 2.045 271 1HB LEU 39 2HB LEU 39 4.049 -0.672 -0.466 272 2HB LEU 39 1HB LEU 39 4.838 0.875 -0.048 273 HG LEU 39 HG LEU 39 6.315 -1.735 -0.666 274 1HD1 LEU 39 1HD1 LEU 39 6.043 0.938 -2.212 275 2HD1 LEU 39 2HD1 LEU 39 5.248 -0.627 -2.677 276 3HD1 LEU 39 3HD1 LEU 39 7.050 -0.468 -2.714 277 1HD2 LEU 39 1HD2 LEU 39 8.366 -0.246 -0.691 278 2HD2 LEU 39 2HD2 LEU 39 7.638 -0.420 0.944 279 3HD2 LEU 39 3HD2 LEU 39 7.375 1.095 -0.012 280 H THR 40 H THR 40 4.858 1.368 3.119 281 HA THR 40 HA THR 40 1.942 1.577 3.054 282 HB THR 40 HB THR 40 2.544 2.327 5.651 283 HG1 THR 40 1HG THR 40 4.017 1.159 6.381 284 1HG2 THR 40 1HG2 THR 40 1.257 0.258 6.271 285 2HG2 THR 40 2HG2 THR 40 1.531 -0.417 4.618 286 3HG2 THR 40 3HG2 THR 40 0.515 1.060 4.840 287 H ILE 41 H ILE 41 1.517 3.489 2.259 288 HA ILE 41 HA ILE 41 3.726 5.389 2.291 289 HB ILE 41 HB ILE 41 1.093 5.379 0.841 290 1HG1 ILE 41 2HG1 ILE 41 3.917 5.084 -0.301 291 2HG1 ILE 41 1HG1 ILE 41 2.965 3.657 0.207 292 1HG2 ILE 41 1HG2 ILE 41 2.136 7.307 -0.465 293 2HG2 ILE 41 2HG2 ILE 41 3.487 7.323 0.728 294 3HG2 ILE 41 3HG2 ILE 41 1.800 7.740 1.232 295 1HD1 ILE 41 1HD1 ILE 41 2.727 4.100 -2.234 296 2HD1 ILE 41 2HD1 ILE 41 2.006 5.714 -1.890 297 3HD1 ILE 41 3HD1 ILE 41 1.149 4.218 -1.377 298 H THR 42 H THR 42 3.850 7.088 3.620 299 HA THR 42 HA THR 42 1.357 7.918 4.938 300 HB THR 42 HB THR 42 2.383 8.480 6.921 301 HG1 THR 42 1HG THR 42 4.771 7.874 5.600 302 1HG2 THR 42 1HG2 THR 42 3.011 6.251 7.750 303 2HG2 THR 42 2HG2 THR 42 3.369 5.671 6.086 304 3HG2 THR 42 3HG2 THR 42 1.675 6.075 6.556 305 H PHE 43 H PHE 43 0.674 9.913 4.630 306 HA PHE 43 HA PHE 43 2.718 11.960 4.287 307 1HB PHE 43 2HB PHE 43 0.840 13.217 2.888 308 2HB PHE 43 1HB PHE 43 2.013 12.084 2.172 309 HD1 PHE 43 1HD PHE 43 -1.404 12.074 3.705 310 HD2 PHE 43 2HD PHE 43 1.322 10.291 0.978 311 HE1 PHE 43 1HE PHE 43 -3.151 10.542 2.963 312 HE2 PHE 43 2HE PHE 43 -0.414 8.720 0.257 313 HZ PHE 43 HZ PHE 43 -2.635 8.800 1.282 314 H GLU 44 H GLU 44 1.824 14.197 4.728 315 HA GLU 44 HA GLU 44 1.685 14.483 7.300 316 1HB GLU 44 2HB GLU 44 0.766 16.156 4.955 317 2HB GLU 44 1HB GLU 44 0.697 16.850 6.586 318 1HG GLU 44 2HG GLU 44 3.351 15.567 5.824 319 2HG GLU 44 1HG GLU 44 2.889 17.102 4.997 320 H ASN 45 H ASN 45 -1.308 14.240 5.347 321 HA ASN 45 HA ASN 45 -2.935 15.157 7.460 322 1HB ASN 45 2HB ASN 45 -3.449 13.699 4.814 323 2HB ASN 45 1HB ASN 45 -4.785 14.005 5.981 324 1HD2 ASN 45 1HD2 ASN 45 -2.767 15.547 3.544 325 2HD2 ASN 45 2HD2 ASN 45 -3.473 17.129 3.770 326 H GLY 46 H GLY 46 -1.267 12.266 7.392 327 1HA GLY 46 2HA GLY 46 -1.281 10.709 8.980 328 2HA GLY 46 1HA GLY 46 -2.713 11.496 9.723 329 H SER 47 H SER 47 -2.518 10.383 6.421 330 HA SER 47 HA SER 47 -4.372 8.172 6.975 331 1HB SER 47 2HB SER 47 -4.476 10.154 4.620 332 2HB SER 47 1HB SER 47 -5.572 8.740 4.881 333 HG SER 47 HG SER 47 -6.195 10.999 5.575 334 H LYS 48 H LYS 48 -4.038 6.363 5.444 335 HA LYS 48 HA LYS 48 -1.421 6.527 4.160 336 1HB LYS 48 2HB LYS 48 -0.715 4.487 5.416 337 2HB LYS 48 1HB LYS 48 -0.898 5.956 6.397 338 1HG LYS 48 2HG LYS 48 -3.102 5.177 7.257 339 2HG LYS 48 1HG LYS 48 -2.965 3.699 6.254 340 1HD LYS 48 2HD LYS 48 -0.811 3.155 7.444 341 2HD LYS 48 1HD LYS 48 -1.043 4.557 8.517 342 1HE LYS 48 2HE LYS 48 -3.039 2.194 8.297 343 2HE LYS 48 1HE LYS 48 -1.665 2.272 9.463 344 1HZ LYS 48 1HZ LYS 48 -2.668 4.391 10.291 345 2HZ LYS 48 2HZ LYS 48 -3.558 3.002 10.588 346 3HZ LYS 48 3HZ LYS 48 -4.060 4.055 9.405 347 H ILE 49 H ILE 49 -0.767 4.732 2.939 348 HA ILE 49 HA ILE 49 -3.014 3.325 1.642 349 HB ILE 49 HB ILE 49 -0.210 3.707 0.560 350 1HG1 ILE 49 2HG1 ILE 49 -0.919 5.943 0.895 351 2HG1 ILE 49 1HG1 ILE 49 -0.896 5.528 -0.836 352 1HG2 ILE 49 1HG2 ILE 49 -1.288 3.258 -1.618 353 2HG2 ILE 49 2HG2 ILE 49 -2.887 3.077 -0.817 354 3HG2 ILE 49 3HG2 ILE 49 -1.567 1.895 -0.481 355 1HD1 ILE 49 1HD1 ILE 49 -2.859 6.938 -0.384 356 2HD1 ILE 49 2HD1 ILE 49 -3.425 5.819 0.908 357 3HD1 ILE 49 3HD1 ILE 49 -3.424 5.285 -0.817 358 H ILE 50 H ILE 50 -2.823 1.025 1.561 359 HA ILE 50 HA ILE 50 -0.574 -0.040 3.129 360 HB ILE 50 HB ILE 50 -3.259 -1.321 2.891 361 1HG1 ILE 50 2HG1 ILE 50 -3.782 0.914 3.798 362 2HG1 ILE 50 1HG1 ILE 50 -4.041 -0.437 4.914 363 1HG2 ILE 50 1HG2 ILE 50 -2.543 -2.373 5.037 364 2HG2 ILE 50 2HG2 ILE 50 -0.951 -1.529 4.922 365 3HG2 ILE 50 3HG2 ILE 50 -1.430 -2.747 3.678 366 1HD1 ILE 50 1HD1 ILE 50 -1.879 0.142 6.127 367 2HD1 ILE 50 2HD1 ILE 50 -3.056 1.505 6.103 368 3HD1 ILE 50 3HD1 ILE 50 -1.640 1.526 4.995 369 H ILE 51 H ILE 51 0.737 -1.175 1.838 370 HA ILE 51 HA ILE 51 -0.366 -2.792 -0.351 371 HB ILE 51 HB ILE 51 1.915 -0.877 -0.175 372 1HG1 ILE 51 2HG1 ILE 51 -0.854 -0.925 -1.073 373 2HG1 ILE 51 1HG1 ILE 51 0.226 0.412 -0.793 374 1HG2 ILE 51 1HG2 ILE 51 2.679 -1.452 -2.368 375 2HG2 ILE 51 2HG2 ILE 51 1.463 -2.748 -2.571 376 3HG2 ILE 51 3HG2 ILE 51 2.799 -2.914 -1.358 377 1HD1 ILE 51 1HD1 ILE 51 1.108 -0.025 -3.259 378 2HD1 ILE 51 2HD1 ILE 51 -0.663 0.353 -3.155 379 3HD1 ILE 51 3HD1 ILE 51 -0.118 -1.345 -3.341 380 H ASN 52 H ASN 52 -0.570 -4.547 0.784 381 HA ASN 52 HA ASN 52 1.838 -5.950 1.640 382 1HB ASN 52 2HB ASN 52 -1.104 -6.476 2.374 383 2HB ASN 52 1HB ASN 52 0.335 -7.339 3.032 384 1HD2 ASN 52 1HD2 ASN 52 -1.670 -6.084 4.631 385 2HD2 ASN 52 2HD2 ASN 52 -0.853 -4.808 5.502 386 H ARG 53 H ARG 53 1.782 -8.325 1.233 387 HA ARG 53 HA ARG 53 0.244 -9.208 -1.079 388 1HB ARG 53 2HB ARG 53 1.731 -7.825 -2.186 389 2HB ARG 53 1HB ARG 53 2.993 -8.002 -0.995 390 1HG ARG 53 2HG ARG 53 2.253 -10.283 -2.954 391 2HG ARG 53 1HG ARG 53 3.364 -8.947 -3.379 392 1HD ARG 53 2HD ARG 53 4.893 -9.554 -1.481 393 2HD ARG 53 1HD ARG 53 3.860 -10.964 -1.096 394 HE ARG 53 HE ARG 53 4.372 -11.964 -3.253 395 1HH1 ARG 53 1HH1 ARG 53 6.278 -8.986 -2.659 396 2HH1 ARG 53 2HH1 ARG 53 7.496 -9.408 -3.806 397 1HH2 ARG 53 1HH2 ARG 53 6.241 -12.633 -4.474 398 2HH2 ARG 53 2HH2 ARG 53 7.509 -11.496 -4.770 399 H GLN 54 H GLN 54 0.361 -11.270 -1.700 400 HA GLN 54 HA GLN 54 1.358 -13.023 0.405 401 1HB GLN 54 2HB GLN 54 -0.022 -14.738 -0.958 402 2HB GLN 54 1HB GLN 54 -0.840 -13.654 0.180 403 1HG GLN 54 2HG GLN 54 -0.622 -12.933 -2.812 404 2HG GLN 54 1HG GLN 54 -1.871 -14.063 -2.210 405 1HE2 GLN 54 1HE2 GLN 54 -3.266 -13.319 -0.393 406 2HE2 GLN 54 2HE2 GLN 54 -3.615 -11.611 -0.218 407 H GLU 55 H GLU 55 2.734 -14.450 0.015 408 HA GLU 55 HA GLU 55 4.363 -14.385 -2.306 409 1HB GLU 55 2HB GLU 55 4.439 -16.287 0.024 410 2HB GLU 55 1HB GLU 55 5.524 -16.421 -1.399 411 1HG GLU 55 2HG GLU 55 6.345 -14.068 -0.957 412 2HG GLU 55 1HG GLU 55 5.338 -14.025 0.537 413 HA PRO 56 HA PRO 56 2.475 -18.032 -4.223 414 1HB PRO 56 2HB PRO 56 0.695 -19.760 -3.082 415 2HB PRO 56 1HB PRO 56 2.461 -19.846 -2.716 416 1HG PRO 56 2HG PRO 56 0.288 -18.463 -1.042 417 2HG PRO 56 1HG PRO 56 1.558 -19.634 -0.485 418 1HD PRO 56 2HD PRO 56 1.847 -16.839 -0.365 419 2HD PRO 56 1HD PRO 56 3.250 -17.986 -0.598 420 H LEU 57 H LEU 57 0.522 -18.364 -5.543 421 HA LEU 57 HA LEU 57 -0.956 -17.597 -6.681 422 1HB LEU 57 2HB LEU 57 -2.301 -16.464 -4.237 423 2HB LEU 57 1HB LEU 57 -2.921 -16.241 -5.903 424 HG LEU 57 HG LEU 57 -2.461 -18.898 -6.035 425 1HD1 LEU 57 1HD1 LEU 57 -3.248 -18.466 -3.091 426 2HD1 LEU 57 2HD1 LEU 57 -1.678 -19.135 -3.670 427 3HD1 LEU 57 3HD1 LEU 57 -3.209 -20.044 -3.961 428 1HD2 LEU 57 1HD2 LEU 57 -4.970 -17.618 -4.766 429 2HD2 LEU 57 2HD2 LEU 57 -4.906 -19.212 -5.603 430 3HD2 LEU 57 3HD2 LEU 57 -4.637 -17.689 -6.535 431 H HIS 58 H HIS 58 -1.276 -16.227 -8.142 432 HA HIS 58 HA HIS 58 0.778 -14.222 -8.343 433 1HB HIS 58 2HB HIS 58 -1.340 -14.997 -10.363 434 2HB HIS 58 1HB HIS 58 0.189 -14.116 -10.682 435 HD1 HIS 58 1HD HIS 58 -0.927 -17.025 -11.657 436 HD2 HIS 58 2HD HIS 58 2.162 -16.364 -8.902 437 HE1 HIS 58 1HE HIS 58 0.548 -19.074 -11.697 438 H GLN 59 H GLN 59 -0.877 -13.087 -6.371 439 HA GLN 59 HA GLN 59 -1.899 -10.830 -7.763 440 1HB GLN 59 2HB GLN 59 -4.173 -10.867 -6.830 441 2HB GLN 59 1HB GLN 59 -3.871 -12.186 -7.952 442 1HG GLN 59 2HG GLN 59 -4.723 -13.593 -6.427 443 2HG GLN 59 1HG GLN 59 -3.214 -13.416 -5.479 444 1HE2 GLN 59 1HE2 GLN 59 -3.240 -11.427 -3.898 445 2HE2 GLN 59 2HE2 GLN 59 -4.747 -11.172 -3.065 446 H VAL 60 H VAL 60 -2.551 -9.174 -6.300 447 HA VAL 60 HA VAL 60 -0.936 -9.231 -3.827 448 HB VAL 60 HB VAL 60 -1.022 -7.370 -6.215 449 1HG1 VAL 60 1HG1 VAL 60 0.626 -5.905 -4.972 450 2HG1 VAL 60 2HG1 VAL 60 0.224 -6.783 -3.453 451 3HG1 VAL 60 3HG1 VAL 60 -1.046 -5.809 -4.318 452 1HG2 VAL 60 1HG2 VAL 60 1.250 -8.823 -4.704 453 2HG2 VAL 60 2HG2 VAL 60 1.470 -7.703 -6.098 454 3HG2 VAL 60 3HG2 VAL 60 0.592 -9.256 -6.336 455 H TRP 61 H TRP 61 -1.621 -7.434 -2.226 456 HA TRP 61 HA TRP 61 -4.507 -7.128 -2.389 457 1HB TRP 61 2HB TRP 61 -4.404 -7.775 -0.296 458 2HB TRP 61 1HB TRP 61 -2.635 -7.806 -0.360 459 HD1 TRP 61 HD TRP 61 -1.777 -4.923 -0.209 460 HE1 TRP 61 1HE TRP 61 -2.531 -3.251 1.602 461 HE3 TRP 61 3HE TRP 61 -5.650 -7.558 1.675 462 HZ2 TRP 61 2HZ TRP 61 -4.245 -3.365 3.918 463 HZ3 TRP 61 3HZ TRP 61 -6.824 -6.728 3.652 464 HH2 TRP 61 HH TRP 61 -6.131 -4.669 4.757 465 H LEU 62 H LEU 62 -5.559 -4.910 -2.100 466 HA LEU 62 HA LEU 62 -3.555 -2.815 -2.014 467 1HB LEU 62 2HB LEU 62 -4.586 -3.502 -4.443 468 2HB LEU 62 1HB LEU 62 -5.863 -2.395 -3.942 469 HG LEU 62 HG LEU 62 -2.953 -1.963 -4.529 470 1HD1 LEU 62 1HD1 LEU 62 -3.820 -0.156 -6.011 471 2HD1 LEU 62 2HD1 LEU 62 -5.464 -0.319 -5.299 472 3HD1 LEU 62 3HD1 LEU 62 -4.788 -1.656 -6.283 473 1HD2 LEU 62 1HD2 LEU 62 -3.097 -0.725 -2.371 474 2HD2 LEU 62 2HD2 LEU 62 -4.626 0.079 -2.899 475 3HD2 LEU 62 3HD2 LEU 62 -3.074 0.454 -3.722 476 H ALA 63 H ALA 63 -4.145 -2.040 0.076 477 HA ALA 63 HA ALA 63 -6.929 -1.108 0.166 478 1HB ALA 63 1HB ALA 63 -5.165 -1.758 2.548 479 2HB ALA 63 2HB ALA 63 -6.450 -2.819 1.875 480 3HB ALA 63 3HB ALA 63 -6.887 -1.223 2.579 481 H THR 64 H THR 64 -7.479 0.758 1.081 482 HA THR 64 HA THR 64 -5.579 2.790 1.596 483 HB THR 64 HB THR 64 -7.327 3.151 -0.878 484 HG1 THR 64 1HG THR 64 -5.024 2.070 -0.665 485 1HG2 THR 64 1HG2 THR 64 -5.963 5.371 -0.916 486 2HG2 THR 64 2HG2 THR 64 -5.399 4.965 0.744 487 3HG2 THR 64 3HG2 THR 64 -7.143 5.293 0.430 488 H LYS 65 H LYS 65 -8.918 3.150 0.341 489 HA LYS 65 HA LYS 65 -9.660 4.039 3.026 490 1HB LYS 65 2HB LYS 65 -9.152 5.805 0.872 491 2HB LYS 65 1HB LYS 65 -10.915 5.777 1.075 492 1HG LYS 65 2HG LYS 65 -8.826 6.356 3.242 493 2HG LYS 65 1HG LYS 65 -9.875 7.533 2.414 494 1HD LYS 65 2HD LYS 65 -11.367 7.317 4.049 495 2HD LYS 65 1HD LYS 65 -11.693 5.635 3.549 496 1HE LYS 65 2HE LYS 65 -9.828 4.851 5.111 497 2HE LYS 65 1HE LYS 65 -9.530 6.575 5.562 498 1HZ LYS 65 1HZ LYS 65 -11.932 4.915 6.167 499 2HZ LYS 65 2HZ LYS 65 -11.947 6.595 6.255 500 3HZ LYS 65 3HZ LYS 65 -10.877 5.690 7.207 501 H GLN 66 H GLN 66 -11.035 3.387 -0.283 502 HA GLN 66 HA GLN 66 -13.621 3.307 0.765 503 1HB GLN 66 2HB GLN 66 -12.328 2.315 -1.819 504 2HB GLN 66 1HB GLN 66 -14.084 2.194 -1.526 505 1HG GLN 66 2HG GLN 66 -14.332 4.641 -1.336 506 2HG GLN 66 1HG GLN 66 -12.564 4.875 -1.530 507 1HE2 GLN 66 1HE2 GLN 66 -15.563 3.940 -3.130 508 2HE2 GLN 66 2HE2 GLN 66 -14.961 3.916 -4.759 509 H GLY 67 H GLY 67 -11.226 0.718 0.490 510 1HA GLY 67 2HA GLY 67 -12.753 -0.783 2.262 511 2HA GLY 67 1HA GLY 67 -13.170 -1.344 0.602 512 H GLY 68 H GLY 68 -10.587 -1.139 -0.515 513 1HA GLY 68 2HA GLY 68 -8.563 -2.191 -0.416 514 2HA GLY 68 1HA GLY 68 -9.055 -3.173 0.998 515 H TYR 69 H TYR 69 -8.418 -3.161 -2.268 516 HA TYR 69 HA TYR 69 -10.197 -5.409 -2.928 517 1HB TYR 69 2HB TYR 69 -9.267 -3.058 -4.687 518 2HB TYR 69 1HB TYR 69 -10.429 -4.341 -5.158 519 HD1 TYR 69 1HD TYR 69 -12.095 -4.197 -2.497 520 HD2 TYR 69 2HD TYR 69 -10.587 -1.275 -5.180 521 HE1 TYR 69 1HE TYR 69 -13.854 -2.687 -1.812 522 HE2 TYR 69 2HE TYR 69 -12.361 0.276 -4.473 523 HH TYR 69 HH TYR 69 -14.771 -0.660 -2.030 524 H HIS 70 H HIS 70 -9.031 -7.131 -3.959 525 HA HIS 70 HA HIS 70 -6.186 -6.619 -4.027 526 1HB HIS 70 2HB HIS 70 -5.888 -9.029 -4.436 527 2HB HIS 70 1HB HIS 70 -6.727 -8.601 -2.916 528 HD1 HIS 70 1HD HIS 70 -7.544 -9.988 -6.429 529 HD2 HIS 70 2HD HIS 70 -9.037 -9.991 -2.489 530 HE1 HIS 70 1HE HIS 70 -9.482 -11.525 -6.387 531 H PHE 71 H PHE 71 -4.864 -7.528 -5.666 532 HA PHE 71 HA PHE 71 -5.506 -5.930 -8.037 533 1HB PHE 71 2HB PHE 71 -4.159 -5.072 -6.048 534 2HB PHE 71 1HB PHE 71 -3.100 -6.486 -6.166 535 HD1 PHE 71 1HD PHE 71 -3.402 -3.132 -6.856 536 HD2 PHE 71 2HD PHE 71 -1.665 -6.731 -8.263 537 HE1 PHE 71 1HE PHE 71 -1.552 -1.859 -7.800 538 HE2 PHE 71 2HE PHE 71 0.168 -5.468 -9.269 539 HZ PHE 71 HZ PHE 71 0.236 -3.021 -9.053 540 H ASP 72 H ASP 72 -5.685 -7.258 -9.791 541 HA ASP 72 HA ASP 72 -4.117 -9.737 -9.836 542 1HB ASP 72 2HB ASP 72 -7.048 -9.159 -10.553 543 2HB ASP 72 1HB ASP 72 -6.190 -10.637 -11.097 544 H LEU 73 H LEU 73 -4.040 -10.582 -12.163 545 HA LEU 73 HA LEU 73 -3.215 -8.251 -13.829 546 1HB LEU 73 2HB LEU 73 -1.427 -9.719 -12.842 547 2HB LEU 73 1HB LEU 73 -2.165 -11.113 -13.673 548 HG LEU 73 HG LEU 73 -1.702 -9.991 -15.886 549 1HD1 LEU 73 1HD1 LEU 73 -0.238 -7.916 -14.121 550 2HD1 LEU 73 2HD1 LEU 73 -1.638 -7.587 -15.211 551 3HD1 LEU 73 3HD1 LEU 73 -0.042 -8.063 -15.901 552 1HD2 LEU 73 1HD2 LEU 73 -0.139 -11.662 -14.890 553 2HD2 LEU 73 2HD2 LEU 73 0.756 -10.326 -14.060 554 3HD2 LEU 73 3HD2 LEU 73 0.740 -10.419 -15.860 555 H LYS 74 H LYS 74 -4.506 -7.857 -15.530 556 HA LYS 74 HA LYS 74 -5.764 -9.969 -16.938 557 1HB LYS 74 2HB LYS 74 -6.259 -7.400 -16.828 558 2HB LYS 74 1HB LYS 74 -5.009 -7.223 -18.071 559 1HG LYS 74 2HG LYS 74 -7.636 -8.819 -18.148 560 2HG LYS 74 1HG LYS 74 -7.273 -7.308 -19.032 561 1HD LYS 74 2HD LYS 74 -5.492 -8.567 -20.346 562 2HD LYS 74 1HD LYS 74 -6.031 -10.077 -19.530 563 1HE LYS 74 2HE LYS 74 -8.344 -9.765 -20.515 564 2HE LYS 74 1HE LYS 74 -7.713 -8.352 -21.461 565 1HZ LYS 74 1HZ LYS 74 -7.622 -10.438 -22.698 566 2HZ LYS 74 2HZ LYS 74 -6.654 -11.141 -21.529 567 3HZ LYS 74 3HZ LYS 74 -6.054 -9.840 -22.428 568 H GLY 75 H GLY 75 -2.929 -7.907 -17.617 569 1HA GLY 75 2HA GLY 75 -1.242 -9.977 -18.366 570 2HA GLY 75 1HA GLY 75 -2.034 -9.313 -19.850 571 H ASP 76 H ASP 76 -2.076 -6.810 -19.799 572 HA ASP 76 HA ASP 76 0.649 -5.863 -19.417 573 1HB ASP 76 2HB ASP 76 -0.469 -5.862 -21.650 574 2HB ASP 76 1HB ASP 76 -1.807 -4.874 -20.991 575 H GLU 77 H GLU 77 -2.445 -5.786 -17.879 576 HA GLU 77 HA GLU 77 -1.923 -3.231 -16.497 577 1HB GLU 77 2HB GLU 77 -3.640 -3.196 -18.537 578 2HB GLU 77 1HB GLU 77 -4.669 -4.109 -17.411 579 1HG GLU 77 2HG GLU 77 -5.347 -1.939 -16.926 580 2HG GLU 77 1HG GLU 77 -4.027 -2.070 -15.713 581 H TRP 78 H TRP 78 -1.878 -3.641 -14.438 582 HA TRP 78 HA TRP 78 -3.148 -6.019 -13.352 583 1HB TRP 78 2HB TRP 78 -1.724 -3.634 -12.034 584 2HB TRP 78 1HB TRP 78 -2.529 -4.962 -11.138 585 HD1 TRP 78 HD TRP 78 0.663 -4.359 -13.302 586 HE1 TRP 78 1HE TRP 78 2.265 -6.312 -12.817 587 HE3 TRP 78 3HE TRP 78 -2.450 -7.245 -10.548 588 HZ2 TRP 78 2HZ TRP 78 2.205 -8.735 -11.345 589 HZ3 TRP 78 3HZ TRP 78 -1.641 -9.382 -9.659 590 HH2 TRP 78 HH TRP 78 0.654 -10.105 -10.046 591 H ILE 79 H ILE 79 -5.332 -6.035 -12.670 592 HA ILE 79 HA ILE 79 -6.665 -3.475 -12.639 593 HB ILE 79 HB ILE 79 -8.349 -4.148 -13.957 594 1HG1 ILE 79 2HG1 ILE 79 -8.902 -6.354 -13.274 595 2HG1 ILE 79 1HG1 ILE 79 -8.665 -6.332 -15.036 596 1HG2 ILE 79 1HG2 ILE 79 -6.341 -3.472 -15.210 597 2HG2 ILE 79 2HG2 ILE 79 -7.410 -4.584 -16.137 598 3HG2 ILE 79 3HG2 ILE 79 -5.887 -5.210 -15.426 599 1HD1 ILE 79 1HD1 ILE 79 -6.259 -7.264 -14.582 600 2HD1 ILE 79 2HD1 ILE 79 -7.657 -8.381 -14.331 601 3HD1 ILE 79 3HD1 ILE 79 -6.857 -7.620 -12.916 602 H CYS 80 H CYS 80 -8.554 -3.464 -11.307 603 HA CYS 80 HA CYS 80 -7.923 -4.880 -9.044 604 1HB CYS 80 2HB CYS 80 -10.498 -3.271 -9.385 605 2HB CYS 80 1HB CYS 80 -9.627 -3.621 -7.878 606 HG CYS 80 HG CYS 80 -7.352 -2.390 -8.785 607 H ASP 81 H ASP 81 -8.960 -6.833 -8.129 608 HA ASP 81 HA ASP 81 -11.061 -8.010 -9.716 609 1HB ASP 81 2HB ASP 81 -9.006 -9.182 -8.768 610 2HB ASP 81 1HB ASP 81 -9.761 -9.000 -7.147 611 H ARG 82 H ARG 82 -12.332 -5.940 -9.105 612 HA ARG 82 HA ARG 82 -14.247 -6.716 -7.141 613 1HB ARG 82 2HB ARG 82 -12.046 -5.209 -6.259 614 2HB ARG 82 1HB ARG 82 -13.339 -4.018 -6.279 615 1HG ARG 82 2HG ARG 82 -13.435 -6.794 -4.896 616 2HG ARG 82 1HG ARG 82 -12.969 -5.263 -4.125 617 1HD ARG 82 2HD ARG 82 -15.360 -4.374 -4.755 618 2HD ARG 82 1HD ARG 82 -15.746 -6.110 -5.148 619 HE ARG 82 HE ARG 82 -14.423 -5.764 -2.515 620 1HH1 ARG 82 1HH1 ARG 82 -17.671 -5.575 -4.050 621 2HH1 ARG 82 2HH1 ARG 82 -18.430 -5.291 -2.518 622 1HH2 ARG 82 1HH2 ARG 82 -15.449 -5.772 -0.650 623 2HH2 ARG 82 2HH2 ARG 82 -17.202 -5.735 -0.546 624 H SER 83 H SER 83 -14.803 -3.482 -7.124 625 HA SER 83 HA SER 83 -16.895 -4.022 -9.000 626 1HB SER 83 2HB SER 83 -17.861 -1.900 -8.108 627 2HB SER 83 1HB SER 83 -17.559 -3.173 -6.891 628 HG SER 83 HG SER 83 -16.815 -1.310 -6.078 629 H GLY 84 H GLY 84 -13.848 -2.541 -9.222 630 1HA GLY 84 2HA GLY 84 -14.553 -1.541 -11.846 631 2HA GLY 84 1HA GLY 84 -14.190 -0.283 -10.618 632 H GLU 85 H GLU 85 -12.858 -2.944 -12.628 633 HA GLU 85 HA GLU 85 -10.422 -2.871 -11.438 634 1HB GLU 85 2HB GLU 85 -9.974 -4.615 -12.914 635 2HB GLU 85 1HB GLU 85 -11.683 -4.699 -12.458 636 1HG GLU 85 2HG GLU 85 -12.282 -3.548 -14.695 637 2HG GLU 85 1HG GLU 85 -10.580 -3.842 -15.204 638 H THR 86 H THR 86 -8.917 -1.324 -11.485 639 HA THR 86 HA THR 86 -7.295 -1.453 -13.639 640 HB THR 86 HB THR 86 -8.280 1.425 -13.049 641 HG1 THR 86 1HG THR 86 -9.343 -0.209 -14.722 642 1HG2 THR 86 1HG2 THR 86 -5.835 1.360 -13.714 643 2HG2 THR 86 2HG2 THR 86 -6.818 2.012 -15.060 644 3HG2 THR 86 3HG2 THR 86 -6.258 0.307 -15.122 645 H PHE 87 H PHE 87 -5.223 -1.464 -12.713 646 HA PHE 87 HA PHE 87 -4.707 -0.611 -10.211 647 1HB PHE 87 2HB PHE 87 -3.305 -2.125 -11.379 648 2HB PHE 87 1HB PHE 87 -3.012 -0.962 -12.709 649 HD1 PHE 87 1HD PHE 87 -2.628 0.185 -9.172 650 HD2 PHE 87 2HD PHE 87 -0.775 -1.518 -12.604 651 HE1 PHE 87 1HE PHE 87 -0.445 0.711 -8.252 652 HE2 PHE 87 2HE PHE 87 1.421 -1.056 -11.648 653 HZ PHE 87 HZ PHE 87 1.603 0.041 -9.462 654 H TRP 88 H TRP 88 -3.071 1.257 -12.851 655 HA TRP 88 HA TRP 88 -2.362 3.150 -11.158 656 1HB TRP 88 2HB TRP 88 -2.822 3.550 -14.153 657 2HB TRP 88 1HB TRP 88 -1.660 4.401 -13.097 658 HD1 TRP 88 HD TRP 88 -2.022 1.292 -15.231 659 HE1 TRP 88 1HE TRP 88 0.353 0.347 -15.533 660 HE3 TRP 88 3HE TRP 88 0.307 3.691 -11.408 661 HZ2 TRP 88 2HZ TRP 88 2.755 0.299 -14.074 662 HZ3 TRP 88 3HZ TRP 88 2.645 3.091 -10.885 663 HH2 TRP 88 HH TRP 88 3.833 1.448 -12.195 664 H ASP 89 H ASP 89 -5.387 3.110 -12.912 665 HA ASP 89 HA ASP 89 -6.004 5.850 -12.321 666 1HB ASP 89 2HB ASP 89 -7.636 3.535 -13.501 667 2HB ASP 89 1HB ASP 89 -8.320 5.147 -13.138 668 H LEU 90 H LEU 90 -6.885 2.659 -10.764 669 HA LEU 90 HA LEU 90 -8.627 4.002 -9.055 670 1HB LEU 90 2HB LEU 90 -8.804 1.586 -9.398 671 2HB LEU 90 1HB LEU 90 -7.205 1.328 -8.666 672 HG LEU 90 HG LEU 90 -7.963 2.213 -6.510 673 1HD1 LEU 90 1HD1 LEU 90 -9.721 3.854 -7.151 674 2HD1 LEU 90 2HD1 LEU 90 -10.418 2.624 -6.046 675 3HD1 LEU 90 3HD1 LEU 90 -10.747 2.519 -7.808 676 1HD2 LEU 90 1HD2 LEU 90 -9.890 0.051 -7.552 677 2HD2 LEU 90 2HD2 LEU 90 -9.494 0.407 -5.824 678 3HD2 LEU 90 3HD2 LEU 90 -8.213 -0.223 -6.930 679 H LEU 91 H LEU 91 -5.337 2.894 -8.900 680 HA LEU 91 HA LEU 91 -4.398 3.557 -6.446 681 1HB LEU 91 2HB LEU 91 -3.355 2.313 -8.365 682 2HB LEU 91 1HB LEU 91 -3.050 3.862 -9.188 683 HG LEU 91 HG LEU 91 -1.080 2.879 -8.290 684 1HD1 LEU 91 1HD1 LEU 91 -1.177 5.370 -8.323 685 2HD1 LEU 91 2HD1 LEU 91 -0.033 4.674 -7.111 686 3HD1 LEU 91 3HD1 LEU 91 -1.608 5.352 -6.564 687 1HD2 LEU 91 1HD2 LEU 91 -2.279 3.057 -5.450 688 2HD2 LEU 91 2HD2 LEU 91 -0.615 2.526 -5.878 689 3HD2 LEU 91 3HD2 LEU 91 -2.037 1.546 -6.405 690 H GLU 92 H GLU 92 -4.342 5.697 -9.308 691 HA GLU 92 HA GLU 92 -3.682 8.067 -8.125 692 1HB GLU 92 2HB GLU 92 -3.903 7.775 -10.535 693 2HB GLU 92 1HB GLU 92 -5.663 7.505 -10.377 694 1HG GLU 92 2HG GLU 92 -5.924 9.896 -9.520 695 2HG GLU 92 1HG GLU 92 -4.170 10.150 -9.781 696 H GLN 93 H GLN 93 -7.067 6.841 -8.504 697 HA GLN 93 HA GLN 93 -8.231 9.008 -7.286 698 1HB GLN 93 2HB GLN 93 -9.290 7.045 -8.618 699 2HB GLN 93 1HB GLN 93 -9.308 6.167 -7.076 700 1HG GLN 93 2HG GLN 93 -10.500 8.495 -6.221 701 2HG GLN 93 1HG GLN 93 -10.905 8.636 -7.956 702 1HE2 GLN 93 1HE2 GLN 93 -11.962 6.448 -8.906 703 2HE2 GLN 93 2HE2 GLN 93 -13.033 5.645 -7.781 704 H ALA 94 H ALA 94 -7.204 5.966 -5.822 705 HA ALA 94 HA ALA 94 -7.961 6.351 -3.196 706 1HB ALA 94 1HB ALA 94 -6.277 4.550 -2.778 707 2HB ALA 94 2HB ALA 94 -5.636 4.807 -4.449 708 3HB ALA 94 3HB ALA 94 -7.316 4.223 -4.197 709 H ALA 95 H ALA 95 -4.808 7.188 -4.752 710 HA ALA 95 HA ALA 95 -3.702 8.281 -2.414 711 1HB ALA 95 1HB ALA 95 -2.337 7.501 -4.342 712 2HB ALA 95 2HB ALA 95 -2.000 9.227 -3.984 713 3HB ALA 95 3HB ALA 95 -3.061 8.781 -5.383 714 H THR 96 H THR 96 -5.280 9.811 -5.207 715 HA THR 96 HA THR 96 -5.226 12.403 -4.437 716 HB THR 96 HB THR 96 -7.391 10.885 -5.938 717 HG1 THR 96 1HG THR 96 -5.580 10.731 -7.026 718 1HG2 THR 96 1HG2 THR 96 -7.883 13.092 -7.015 719 2HG2 THR 96 2HG2 THR 96 -6.784 13.917 -5.848 720 3HG2 THR 96 3HG2 THR 96 -8.298 13.123 -5.267 721 H GLN 97 H GLN 97 -7.774 10.040 -3.588 722 HA GLN 97 HA GLN 97 -9.270 11.977 -2.199 723 1HB GLN 97 2HB GLN 97 -10.759 10.297 -1.532 724 2HB GLN 97 1HB GLN 97 -10.205 9.937 -3.186 725 1HG GLN 97 2HG GLN 97 -8.497 8.310 -2.085 726 2HG GLN 97 1HG GLN 97 -9.419 8.454 -0.550 727 1HE2 GLN 97 1HE2 GLN 97 -10.112 7.981 -4.068 728 2HE2 GLN 97 2HE2 GLN 97 -11.289 6.723 -3.845 729 H GLN 98 H GLN 98 -6.630 9.869 -1.141 730 HA GLN 98 HA GLN 98 -7.064 10.527 1.607 731 1HB GLN 98 2HB GLN 98 -4.675 9.432 0.065 732 2HB GLN 98 1HB GLN 98 -4.706 9.609 1.852 733 1HG GLN 98 2HG GLN 98 -6.809 7.921 0.369 734 2HG GLN 98 1HG GLN 98 -5.195 7.289 0.850 735 1HE2 GLN 98 1HE2 GLN 98 -5.351 6.093 2.694 736 2HE2 GLN 98 2HE2 GLN 98 -6.413 6.448 4.021 737 H ALA 99 H ALA 99 -4.986 11.935 -0.964 738 HA ALA 99 HA ALA 99 -3.758 13.673 0.953 739 1HB ALA 99 1HB ALA 99 -2.520 12.671 -0.956 740 2HB ALA 99 2HB ALA 99 -2.480 14.466 -1.034 741 3HB ALA 99 3HB ALA 99 -3.590 13.536 -2.112 742 H GLY 100 H GLY 100 -6.127 14.153 -1.696 743 1HA GLY 100 2HA GLY 100 -7.543 15.876 -1.969 744 2HA GLY 100 1HA GLY 100 -6.706 16.821 -0.693 745 H GLU 101 H GLU 101 -5.510 15.226 -3.645 746 HA GLU 101 HA GLU 101 -4.952 17.569 -5.120 747 1HB GLU 101 2HB GLU 101 -3.220 17.948 -3.447 748 2HB GLU 101 1HB GLU 101 -2.824 16.211 -3.373 749 1HG GLU 101 2HG GLU 101 -1.728 16.263 -5.546 750 2HG GLU 101 1HG GLU 101 -2.233 17.974 -5.834 751 H THR 102 H THR 102 -4.339 16.732 -7.321 752 HA THR 102 HA THR 102 -4.971 13.973 -7.556 753 HB THR 102 HB THR 102 -3.700 15.568 -9.781 754 HG1 THR 102 1HG THR 102 -5.755 15.868 -10.442 755 1HG2 THR 102 1HG2 THR 102 -5.604 13.114 -9.675 756 2HG2 THR 102 2HG2 THR 102 -3.847 12.996 -10.002 757 3HG2 THR 102 3HG2 THR 102 -4.898 13.850 -11.154 758 H VAL 103 H VAL 103 -3.530 12.619 -6.585 759 HA VAL 103 HA VAL 103 -0.695 12.908 -7.229 760 HB VAL 103 HB VAL 103 -2.019 10.862 -5.490 761 1HG1 VAL 103 1HG1 VAL 103 0.870 12.035 -5.616 762 2HG1 VAL 103 2HG1 VAL 103 0.419 10.435 -6.295 763 3HG1 VAL 103 3HG1 VAL 103 0.327 10.725 -4.518 764 1HG2 VAL 103 1HG2 VAL 103 -2.600 13.051 -4.516 765 2HG2 VAL 103 2HG2 VAL 103 -0.922 13.666 -4.777 766 3HG2 VAL 103 3HG2 VAL 103 -1.240 12.372 -3.567 767 H SER 104 H SER 104 -0.844 12.501 -9.317 768 HA SER 104 HA SER 104 -2.120 10.105 -10.341 769 1HB SER 104 2HB SER 104 -2.386 12.458 -11.339 770 2HB SER 104 1HB SER 104 -0.715 12.303 -11.922 771 HG SER 104 HG SER 104 -2.997 10.736 -12.614 772 H PHE 105 H PHE 105 -1.046 9.018 -12.292 773 HA PHE 105 HA PHE 105 1.795 9.371 -12.364 774 1HB PHE 105 2HB PHE 105 1.508 7.304 -10.971 775 2HB PHE 105 1HB PHE 105 0.580 6.536 -12.284 776 HD1 PHE 105 1HD PHE 105 1.787 5.072 -13.539 777 HD2 PHE 105 2HD PHE 105 3.807 8.489 -11.992 778 HE1 PHE 105 1HE PHE 105 3.839 4.363 -14.649 779 HE2 PHE 105 2HE PHE 105 5.837 7.814 -13.157 780 HZ PHE 105 HZ PHE 105 5.867 5.768 -14.499 781 H ARG 106 H ARG 106 -1.282 8.531 -13.929 782 HA ARG 106 HA ARG 106 0.145 8.489 -16.488 783 1HB ARG 106 2HB ARG 106 -2.663 7.633 -15.722 784 2HB ARG 106 1HB ARG 106 -2.093 7.844 -17.411 785 1HG ARG 106 2HG ARG 106 -0.247 6.190 -16.990 786 2HG ARG 106 1HG ARG 106 -0.967 5.829 -15.393 787 1HD ARG 106 2HD ARG 106 -3.025 4.980 -16.428 788 2HD ARG 106 1HD ARG 106 -2.519 5.572 -18.064 789 HE ARG 106 HE ARG 106 -0.389 3.935 -17.366 790 1HH1 ARG 106 1HH1 ARG 106 -3.938 3.256 -17.507 791 2HH1 ARG 106 2HH1 ARG 106 -3.618 1.562 -17.788 792 1HH2 ARG 106 1HH2 ARG 106 -0.157 1.752 -17.776 793 2HH2 ARG 106 2HH2 ARG 106 -1.581 0.749 -17.814 Start of MODEL 7 1 HA MET 1 HA MET 1 3.634 -22.664 -9.121 2 1HB MET 1 2HB MET 1 1.011 -21.528 -10.244 3 2HB MET 1 1HB MET 1 2.011 -22.784 -11.041 4 1HG MET 1 2HG MET 1 0.581 -23.060 -8.342 5 2HG MET 1 1HG MET 1 0.056 -23.743 -9.901 6 1HE MET 1 1HE MET 1 0.934 -26.829 -7.764 7 2HE MET 1 2HE MET 1 -0.302 -25.912 -8.686 8 3HE MET 1 3HE MET 1 0.346 -25.244 -7.148 9 H ASN 2 H ASN 2 2.839 -19.271 -9.325 10 HA ASN 2 HA ASN 2 4.776 -18.978 -11.529 11 1HB ASN 2 2HB ASN 2 2.250 -17.332 -10.950 12 2HB ASN 2 1HB ASN 2 3.510 -16.892 -12.166 13 1HD2 ASN 2 1HD2 ASN 2 0.574 -17.623 -12.510 14 2HD2 ASN 2 2HD2 ASN 2 0.604 -18.939 -13.649 15 H ASP 3 H ASP 3 5.958 -19.191 -9.260 16 HA ASP 3 HA ASP 3 6.122 -16.894 -7.685 17 1HB ASP 3 2HB ASP 3 8.023 -19.256 -8.212 18 2HB ASP 3 1HB ASP 3 8.425 -17.947 -7.037 19 H SER 4 H SER 4 7.928 -17.818 -10.622 20 HA SER 4 HA SER 4 9.866 -15.824 -10.305 21 1HB SER 4 2HB SER 4 10.057 -17.857 -11.794 22 2HB SER 4 1HB SER 4 8.956 -17.060 -12.956 23 HG SER 4 HG SER 4 10.466 -15.534 -13.314 24 H GLU 5 H GLU 5 6.779 -15.880 -12.086 25 HA GLU 5 HA GLU 5 6.877 -13.274 -13.029 26 1HB GLU 5 2HB GLU 5 4.390 -14.874 -12.217 27 2HB GLU 5 1HB GLU 5 4.432 -13.346 -13.146 28 1HG GLU 5 2HG GLU 5 6.036 -14.691 -14.781 29 2HG GLU 5 1HG GLU 5 5.266 -16.144 -14.058 30 H PHE 6 H PHE 6 5.089 -14.414 -10.043 31 HA PHE 6 HA PHE 6 4.517 -11.936 -9.242 32 1HB PHE 6 2HB PHE 6 3.821 -14.378 -8.486 33 2HB PHE 6 1HB PHE 6 5.120 -14.207 -7.269 34 HD1 PHE 6 1HD PHE 6 2.520 -11.815 -8.656 35 HD2 PHE 6 2HD PHE 6 4.009 -13.921 -5.268 36 HE1 PHE 6 1HE PHE 6 0.950 -10.637 -7.239 37 HE2 PHE 6 2HE PHE 6 2.389 -12.756 -3.848 38 HZ PHE 6 HZ PHE 6 0.876 -11.098 -4.818 39 H HIS 7 H HIS 7 7.596 -13.560 -8.516 40 HA HIS 7 HA HIS 7 8.596 -11.538 -6.880 41 1HB HIS 7 2HB HIS 7 9.697 -13.836 -8.414 42 2HB HIS 7 1HB HIS 7 10.859 -12.499 -8.293 43 HD1 HIS 7 1HD HIS 7 11.169 -11.465 -5.768 44 HD2 HIS 7 2HD HIS 7 9.850 -15.443 -6.123 45 HE1 HIS 7 1HE HIS 7 11.726 -12.624 -3.616 46 H ARG 8 H ARG 8 8.887 -11.850 -10.452 47 HA ARG 8 HA ARG 8 10.580 -9.629 -10.660 48 1HB ARG 8 2HB ARG 8 10.237 -11.651 -12.182 49 2HB ARG 8 1HB ARG 8 8.793 -10.866 -12.833 50 1HG ARG 8 2HG ARG 8 10.081 -9.061 -13.800 51 2HG ARG 8 1HG ARG 8 11.507 -9.412 -12.789 52 1HD ARG 8 2HD ARG 8 10.472 -11.289 -15.013 53 2HD ARG 8 1HD ARG 8 11.857 -10.118 -15.169 54 HE ARG 8 HE ARG 8 12.421 -11.576 -12.840 55 1HH1 ARG 8 1HH1 ARG 8 12.301 -12.321 -16.331 56 2HH1 ARG 8 2HH1 ARG 8 13.095 -13.853 -16.128 57 1HH2 ARG 8 1HH2 ARG 8 13.026 -13.742 -12.608 58 2HH2 ARG 8 2HH2 ARG 8 13.663 -14.602 -13.982 59 H LEU 9 H LEU 9 7.103 -10.075 -11.198 60 HA LEU 9 HA LEU 9 6.373 -7.518 -11.867 61 1HB LEU 9 2HB LEU 9 5.007 -9.785 -10.332 62 2HB LEU 9 1HB LEU 9 4.132 -8.296 -10.777 63 HG LEU 9 HG LEU 9 5.459 -10.205 -12.782 64 1HD1 LEU 9 1HD1 LEU 9 3.543 -11.272 -11.576 65 2HD1 LEU 9 2HD1 LEU 9 3.155 -10.952 -13.308 66 3HD1 LEU 9 3HD1 LEU 9 2.487 -9.873 -12.028 67 1HD2 LEU 9 1HD2 LEU 9 4.102 -8.997 -14.490 68 2HD2 LEU 9 2HD2 LEU 9 5.296 -7.906 -13.716 69 3HD2 LEU 9 3HD2 LEU 9 3.552 -7.821 -13.245 70 H ALA 10 H ALA 10 6.659 -8.950 -8.588 71 HA ALA 10 HA ALA 10 5.848 -6.760 -7.134 72 1HB ALA 10 1HB ALA 10 6.293 -8.996 -6.084 73 2HB ALA 10 2HB ALA 10 7.219 -7.700 -5.267 74 3HB ALA 10 3HB ALA 10 8.043 -8.813 -6.418 75 H ASP 11 H ASP 11 9.190 -7.671 -8.067 76 HA ASP 11 HA ASP 11 10.394 -5.588 -6.769 77 1HB ASP 11 2HB ASP 11 11.196 -7.836 -8.246 78 2HB ASP 11 1HB ASP 11 11.754 -6.512 -9.314 79 H GLN 12 H GLN 12 9.235 -5.736 -10.102 80 HA GLN 12 HA GLN 12 10.035 -3.136 -10.786 81 1HB GLN 12 2HB GLN 12 7.870 -4.985 -11.897 82 2HB GLN 12 1HB GLN 12 8.288 -3.413 -12.638 83 1HG GLN 12 2HG GLN 12 10.204 -5.811 -12.290 84 2HG GLN 12 1HG GLN 12 9.427 -5.276 -13.815 85 1HE2 GLN 12 1HE2 GLN 12 9.871 -2.882 -14.402 86 2HE2 GLN 12 2HE2 GLN 12 11.436 -2.222 -13.998 87 H LEU 13 H LEU 13 6.709 -4.208 -9.646 88 HA LEU 13 HA LEU 13 5.788 -1.621 -9.886 89 1HB LEU 13 2HB LEU 13 3.819 -2.345 -8.963 90 2HB LEU 13 1HB LEU 13 4.427 -3.648 -10.023 91 HG LEU 13 HG LEU 13 5.269 -4.626 -7.626 92 1HD1 LEU 13 1HD1 LEU 13 4.300 -2.667 -6.285 93 2HD1 LEU 13 2HD1 LEU 13 3.514 -4.240 -5.891 94 3HD1 LEU 13 3HD1 LEU 13 2.682 -3.054 -6.959 95 1HD2 LEU 13 1HD2 LEU 13 2.378 -4.812 -8.705 96 2HD2 LEU 13 2HD2 LEU 13 3.188 -5.995 -7.609 97 3HD2 LEU 13 3HD2 LEU 13 3.783 -5.770 -9.297 98 H TRP 14 H TRP 14 6.916 -3.363 -7.043 99 HA TRP 14 HA TRP 14 6.578 -1.464 -5.099 100 1HB TRP 14 2HB TRP 14 8.817 -3.525 -5.547 101 2HB TRP 14 1HB TRP 14 8.703 -2.555 -4.058 102 HD1 TRP 14 HD TRP 14 5.210 -3.244 -4.243 103 HE1 TRP 14 1HE TRP 14 4.743 -5.205 -2.614 104 HE3 TRP 14 3HE TRP 14 9.862 -5.270 -4.043 105 HZ2 TRP 14 2HZ TRP 14 6.138 -7.277 -1.458 106 HZ3 TRP 14 3HZ TRP 14 10.222 -7.276 -2.694 107 HH2 TRP 14 HH TRP 14 8.402 -8.288 -1.431 108 H LEU 15 H LEU 15 9.455 -1.878 -7.200 109 HA LEU 15 HA LEU 15 10.872 0.259 -6.146 110 1HB LEU 15 2HB LEU 15 11.788 -1.565 -7.557 111 2HB LEU 15 1HB LEU 15 10.866 -0.966 -8.965 112 HG LEU 15 HG LEU 15 12.220 1.150 -8.919 113 1HD1 LEU 15 1HD1 LEU 15 14.333 1.148 -7.465 114 2HD1 LEU 15 2HD1 LEU 15 13.647 -0.249 -6.563 115 3HD1 LEU 15 3HD1 LEU 15 12.804 1.346 -6.530 116 1HD2 LEU 15 1HD2 LEU 15 14.359 0.133 -9.699 117 2HD2 LEU 15 2HD2 LEU 15 12.940 -0.787 -10.321 118 3HD2 LEU 15 3HD2 LEU 15 13.905 -1.439 -8.942 119 H THR 16 H THR 16 8.734 0.116 -8.952 120 HA THR 16 HA THR 16 9.054 2.713 -9.812 121 HB THR 16 HB THR 16 6.583 0.986 -10.146 122 HG1 THR 16 1HG THR 16 8.361 -0.070 -10.880 123 1HG2 THR 16 1HG2 THR 16 6.393 2.303 -12.299 124 2HG2 THR 16 2HG2 THR 16 7.781 3.331 -11.797 125 3HG2 THR 16 3HG2 THR 16 6.230 3.386 -10.877 126 H ILE 17 H ILE 17 6.330 1.459 -7.770 127 HA ILE 17 HA ILE 17 5.175 3.888 -7.300 128 HB ILE 17 HB ILE 17 5.221 1.406 -5.584 129 1HG1 ILE 17 2HG1 ILE 17 3.121 2.431 -7.585 130 2HG1 ILE 17 1HG1 ILE 17 4.360 1.224 -8.029 131 1HG2 ILE 17 1HG2 ILE 17 4.487 3.379 -4.240 132 2HG2 ILE 17 2HG2 ILE 17 3.084 2.360 -4.654 133 3HG2 ILE 17 3HG2 ILE 17 3.375 3.885 -5.567 134 1HD1 ILE 17 1HD1 ILE 17 2.174 0.852 -5.892 135 2HD1 ILE 17 2HD1 ILE 17 3.539 -0.287 -6.170 136 3HD1 ILE 17 3HD1 ILE 17 2.340 0.014 -7.476 137 H GLU 18 H GLU 18 7.631 2.269 -5.161 138 HA GLU 18 HA GLU 18 7.512 4.254 -3.243 139 1HB GLU 18 2HB GLU 18 8.610 1.939 -3.081 140 2HB GLU 18 1HB GLU 18 9.964 2.629 -4.004 141 1HG GLU 18 2HG GLU 18 10.085 4.458 -2.091 142 2HG GLU 18 1HG GLU 18 9.089 3.298 -1.148 143 H GLU 19 H GLU 19 9.770 3.900 -5.973 144 HA GLU 19 HA GLU 19 11.302 6.130 -5.500 145 1HB GLU 19 2HB GLU 19 11.881 4.313 -7.065 146 2HB GLU 19 1HB GLU 19 10.540 4.785 -8.133 147 1HG GLU 19 2HG GLU 19 11.685 7.032 -8.531 148 2HG GLU 19 1HG GLU 19 13.048 6.485 -7.488 149 H ARG 20 H ARG 20 8.350 5.911 -7.536 150 HA ARG 20 HA ARG 20 8.572 8.595 -8.349 151 1HB ARG 20 2HB ARG 20 7.241 6.408 -9.250 152 2HB ARG 20 1HB ARG 20 5.883 7.257 -8.485 153 1HG ARG 20 2HG ARG 20 7.846 8.265 -10.645 154 2HG ARG 20 1HG ARG 20 6.177 7.694 -10.921 155 1HD ARG 20 2HD ARG 20 5.280 9.681 -9.642 156 2HD ARG 20 1HD ARG 20 6.971 10.289 -9.437 157 HE ARG 20 HE ARG 20 7.173 10.168 -11.994 158 1HH1 ARG 20 1HH1 ARG 20 3.822 10.620 -10.655 159 2HH1 ARG 20 2HH1 ARG 20 3.284 11.098 -12.245 160 1HH2 ARG 20 1HH2 ARG 20 6.296 10.924 -13.892 161 2HH2 ARG 20 2HH2 ARG 20 4.570 11.304 -13.953 162 H LEU 21 H LEU 21 6.964 7.055 -5.596 163 HA LEU 21 HA LEU 21 5.503 9.336 -4.827 164 1HB LEU 21 2HB LEU 21 5.121 6.964 -3.982 165 2HB LEU 21 1HB LEU 21 6.658 7.091 -3.100 166 HG LEU 21 HG LEU 21 5.430 9.362 -2.142 167 1HD1 LEU 21 1HD1 LEU 21 3.350 9.019 -3.482 168 2HD1 LEU 21 2HD1 LEU 21 3.032 8.897 -1.707 169 3HD1 LEU 21 3HD1 LEU 21 3.122 7.402 -2.711 170 1HD2 LEU 21 1HD2 LEU 21 4.867 8.060 -0.130 171 2HD2 LEU 21 2HD2 LEU 21 6.458 7.559 -0.803 172 3HD2 LEU 21 3HD2 LEU 21 5.004 6.518 -1.065 173 H ASP 22 H ASP 22 8.713 8.075 -3.776 174 HA ASP 22 HA ASP 22 9.163 10.087 -1.957 175 1HB ASP 22 2HB ASP 22 10.287 7.773 -2.243 176 2HB ASP 22 1HB ASP 22 11.336 8.540 -3.483 177 H ASP 23 H ASP 23 9.900 9.985 -5.431 178 HA ASP 23 HA ASP 23 11.196 12.559 -5.269 179 1HB ASP 23 2HB ASP 23 11.837 10.448 -6.679 180 2HB ASP 23 1HB ASP 23 10.506 10.946 -7.777 181 H TRP 24 H TRP 24 8.122 12.171 -4.802 182 HA TRP 24 HA TRP 24 7.083 13.652 -7.023 183 1HB TRP 24 2HB TRP 24 5.829 11.876 -5.861 184 2HB TRP 24 1HB TRP 24 5.780 12.860 -4.377 185 HD1 TRP 24 HD TRP 24 3.451 14.078 -4.178 186 HE1 TRP 24 1HE TRP 24 1.594 14.792 -5.839 187 HE3 TRP 24 3HE TRP 24 5.761 12.883 -8.552 188 HZ2 TRP 24 2HZ TRP 24 1.206 14.847 -8.602 189 HZ3 TRP 24 3HZ TRP 24 4.629 13.371 -10.650 190 HH2 TRP 24 HH TRP 24 2.381 14.307 -10.688 191 H ASP 25 H ASP 25 7.301 14.385 -3.550 192 HA ASP 25 HA ASP 25 7.305 16.170 -2.399 193 1HB ASP 25 2HB ASP 25 9.368 16.566 -3.851 194 2HB ASP 25 1HB ASP 25 8.403 17.775 -4.753 195 H GLY 26 H GLY 26 6.825 18.924 -4.001 196 1HA GLY 26 2HA GLY 26 5.006 19.993 -4.857 197 2HA GLY 26 1HA GLY 26 3.965 18.589 -4.449 198 H ASP 27 H ASP 27 2.336 19.524 -3.251 199 HA ASP 27 HA ASP 27 3.016 21.319 -1.089 200 1HB ASP 27 2HB ASP 27 0.663 20.617 -2.729 201 2HB ASP 27 1HB ASP 27 0.256 20.432 -0.992 202 H SER 28 H SER 28 2.398 18.005 -1.772 203 HA SER 28 HA SER 28 2.051 17.141 0.896 204 1HB SER 28 2HB SER 28 2.524 14.815 -0.184 205 2HB SER 28 1HB SER 28 1.088 15.740 -0.696 206 HG SER 28 HG SER 28 3.547 15.855 -2.124 207 H ASP 29 H ASP 29 3.383 16.149 2.306 208 HA ASP 29 HA ASP 29 6.196 15.831 1.595 209 1HB ASP 29 2HB ASP 29 5.574 17.324 3.614 210 2HB ASP 29 1HB ASP 29 4.901 15.851 4.398 211 H ILE 30 H ILE 30 6.984 13.603 1.821 212 HA ILE 30 HA ILE 30 4.909 11.629 1.774 213 HB ILE 30 HB ILE 30 6.026 11.028 -0.594 214 1HG1 ILE 30 2HG1 ILE 30 5.842 13.003 -2.046 215 2HG1 ILE 30 1HG1 ILE 30 5.833 14.100 -0.645 216 1HG2 ILE 30 1HG2 ILE 30 3.901 11.859 -1.555 217 2HG2 ILE 30 2HG2 ILE 30 3.569 12.781 -0.042 218 3HG2 ILE 30 3HG2 ILE 30 3.659 10.974 -0.010 219 1HD1 ILE 30 1HD1 ILE 30 8.113 13.887 -1.782 220 2HD1 ILE 30 2HD1 ILE 30 8.120 12.133 -1.379 221 3HD1 ILE 30 3HD1 ILE 30 8.177 13.363 -0.069 222 H ASP 31 H ASP 31 5.666 10.150 2.955 223 HA ASP 31 HA ASP 31 8.341 9.082 2.275 224 1HB ASP 31 2HB ASP 31 6.909 9.280 5.000 225 2HB ASP 31 1HB ASP 31 8.296 8.158 4.707 226 H CYS 32 H CYS 32 8.414 6.899 1.802 227 HA CYS 32 HA CYS 32 5.984 5.346 2.419 228 1HB CYS 32 2HB CYS 32 6.869 5.405 -0.087 229 2HB CYS 32 1HB CYS 32 8.271 4.615 0.586 230 HG CYS 32 HG CYS 32 6.955 2.489 1.496 231 H GLU 33 H GLU 33 6.265 3.351 3.506 232 HA GLU 33 HA GLU 33 8.861 3.063 4.868 233 1HB GLU 33 2HB GLU 33 6.230 1.902 5.847 234 2HB GLU 33 1HB GLU 33 7.746 2.176 6.751 235 1HG GLU 33 2HG GLU 33 7.332 4.707 6.482 236 2HG GLU 33 1HG GLU 33 5.733 4.327 5.766 237 H ILE 34 H ILE 34 9.801 0.914 4.856 238 HA ILE 34 HA ILE 34 8.436 -1.024 3.208 239 HB ILE 34 HB ILE 34 10.027 -0.137 1.836 240 1HG1 ILE 34 2HG1 ILE 34 11.809 -1.915 1.648 241 2HG1 ILE 34 1HG1 ILE 34 11.290 -2.547 3.234 242 1HG2 ILE 34 1HG2 ILE 34 11.346 1.261 3.418 243 2HG2 ILE 34 2HG2 ILE 34 12.418 0.229 2.424 244 3HG2 ILE 34 3HG2 ILE 34 12.085 -0.230 4.127 245 1HD1 ILE 34 1HD1 ILE 34 8.987 -3.062 2.211 246 2HD1 ILE 34 2HD1 ILE 34 10.327 -3.871 1.312 247 3HD1 ILE 34 3HD1 ILE 34 9.572 -2.387 0.645 248 H ASN 35 H ASN 35 7.775 -2.392 4.479 249 HA ASN 35 HA ASN 35 9.446 -3.361 6.728 250 1HB ASN 35 2HB ASN 35 6.445 -3.825 6.262 251 2HB ASN 35 1HB ASN 35 7.404 -4.316 7.701 252 1HD2 ASN 35 1HD2 ASN 35 5.786 -1.670 6.026 253 2HD2 ASN 35 2HD2 ASN 35 5.847 -0.575 7.384 254 H GLY 36 H GLY 36 10.754 -4.447 4.980 255 1HA GLY 36 2HA GLY 36 11.479 -6.398 4.299 256 2HA GLY 36 1HA GLY 36 10.072 -7.148 5.109 257 H GLY 37 H GLY 37 8.701 -5.179 2.989 258 1HA GLY 37 2HA GLY 37 8.638 -6.046 0.491 259 2HA GLY 37 1HA GLY 37 7.923 -7.446 1.393 260 H VAL 38 H VAL 38 6.749 -5.787 3.491 261 HA VAL 38 HA VAL 38 4.379 -4.930 2.117 262 HB VAL 38 HB VAL 38 5.186 -4.845 5.032 263 1HG1 VAL 38 1HG1 VAL 38 3.405 -3.150 4.547 264 2HG1 VAL 38 2HG1 VAL 38 2.702 -4.575 5.382 265 3HG1 VAL 38 3HG1 VAL 38 2.472 -4.383 3.610 266 1HG2 VAL 38 1HG2 VAL 38 3.672 -6.829 5.172 267 2HG2 VAL 38 2HG2 VAL 38 5.077 -7.171 4.112 268 3HG2 VAL 38 3HG2 VAL 38 3.470 -6.809 3.382 269 H LEU 39 H LEU 39 4.553 -3.034 0.960 270 HA LEU 39 HA LEU 39 5.957 -0.804 2.192 271 1HB LEU 39 2HB LEU 39 4.764 -1.370 -0.520 272 2HB LEU 39 1HB LEU 39 5.276 0.284 -0.114 273 HG LEU 39 HG LEU 39 7.239 -2.029 0.206 274 1HD1 LEU 39 1HD1 LEU 39 8.106 -1.512 -2.087 275 2HD1 LEU 39 2HD1 LEU 39 6.779 -0.319 -2.331 276 3HD1 LEU 39 3HD1 LEU 39 6.396 -2.091 -2.167 277 1HD2 LEU 39 1HD2 LEU 39 7.846 0.227 1.203 278 2HD2 LEU 39 2HD2 LEU 39 7.682 0.956 -0.444 279 3HD2 LEU 39 3HD2 LEU 39 8.952 -0.273 -0.137 280 H THR 40 H THR 40 4.969 0.756 3.211 281 HA THR 40 HA THR 40 2.085 1.130 2.831 282 HB THR 40 HB THR 40 2.093 1.867 5.223 283 HG1 THR 40 1HG THR 40 4.290 2.019 5.536 284 1HG2 THR 40 1HG2 THR 40 2.836 -1.101 4.636 285 2HG2 THR 40 2HG2 THR 40 1.195 -0.394 4.476 286 3HG2 THR 40 3HG2 THR 40 1.972 -0.506 6.096 287 H ILE 41 H ILE 41 1.579 3.096 2.165 288 HA ILE 41 HA ILE 41 3.788 4.977 1.819 289 HB ILE 41 HB ILE 41 1.157 4.466 0.465 290 1HG1 ILE 41 2HG1 ILE 41 4.034 4.563 -0.592 291 2HG1 ILE 41 1HG1 ILE 41 3.197 3.074 -0.063 292 1HG2 ILE 41 1HG2 ILE 41 3.010 6.914 0.129 293 2HG2 ILE 41 2HG2 ILE 41 1.270 6.917 0.606 294 3HG2 ILE 41 3HG2 ILE 41 1.729 6.431 -1.048 295 1HD1 ILE 41 1HD1 ILE 41 2.380 4.873 -2.431 296 2HD1 ILE 41 2HD1 ILE 41 1.391 3.498 -1.805 297 3HD1 ILE 41 3HD1 ILE 41 3.030 3.191 -2.472 298 H THR 42 H THR 42 3.936 6.716 3.022 299 HA THR 42 HA THR 42 1.551 7.555 4.532 300 HB THR 42 HB THR 42 3.102 8.229 6.354 301 HG1 THR 42 1HG THR 42 4.956 7.769 4.711 302 1HG2 THR 42 1HG2 THR 42 3.292 5.933 7.237 303 2HG2 THR 42 2HG2 THR 42 3.028 5.237 5.602 304 3HG2 THR 42 3HG2 THR 42 1.701 6.151 6.422 305 H PHE 43 H PHE 43 0.811 9.450 3.752 306 HA PHE 43 HA PHE 43 2.795 11.573 3.387 307 1HB PHE 43 2HB PHE 43 0.973 12.630 1.880 308 2HB PHE 43 1HB PHE 43 1.935 11.257 1.274 309 HD1 PHE 43 1HD PHE 43 -1.375 12.193 2.625 310 HD2 PHE 43 2HD PHE 43 1.007 9.210 0.778 311 HE1 PHE 43 1HE PHE 43 -3.389 10.854 2.201 312 HE2 PHE 43 2HE PHE 43 -0.992 7.865 0.347 313 HZ PHE 43 HZ PHE 43 -3.185 8.649 1.101 314 H GLU 44 H GLU 44 1.996 13.801 3.654 315 HA GLU 44 HA GLU 44 1.764 14.167 6.252 316 1HB GLU 44 2HB GLU 44 2.186 16.402 5.584 317 2HB GLU 44 1HB GLU 44 2.781 15.331 4.289 318 1HG GLU 44 2HG GLU 44 1.868 16.873 2.967 319 2HG GLU 44 1HG GLU 44 0.452 15.783 3.077 320 H ASN 45 H ASN 45 -0.831 14.033 4.070 321 HA ASN 45 HA ASN 45 -2.750 15.396 5.599 322 1HB ASN 45 2HB ASN 45 -2.882 14.594 3.119 323 2HB ASN 45 1HB ASN 45 -3.457 13.024 3.774 324 1HD2 ASN 45 1HD2 ASN 45 -5.745 12.991 3.585 325 2HD2 ASN 45 2HD2 ASN 45 -6.765 14.314 4.031 326 H GLY 46 H GLY 46 -1.259 12.407 6.271 327 1HA GLY 46 2HA GLY 46 -1.370 11.543 8.354 328 2HA GLY 46 1HA GLY 46 -3.041 12.161 8.571 329 H SER 47 H SER 47 -3.090 10.840 5.620 330 HA SER 47 HA SER 47 -4.138 8.315 6.617 331 1HB SER 47 2HB SER 47 -4.297 9.603 3.845 332 2HB SER 47 1HB SER 47 -5.051 8.028 4.301 333 HG SER 47 HG SER 47 -6.534 9.764 4.530 334 H LYS 48 H LYS 48 -3.669 6.284 5.526 335 HA LYS 48 HA LYS 48 -1.127 6.241 4.118 336 1HB LYS 48 2HB LYS 48 -0.285 4.410 5.567 337 2HB LYS 48 1HB LYS 48 -0.479 5.962 6.426 338 1HG LYS 48 2HG LYS 48 -2.635 5.192 7.404 339 2HG LYS 48 1HG LYS 48 -2.440 3.600 6.602 340 1HD LYS 48 2HD LYS 48 -0.300 3.232 7.789 341 2HD LYS 48 1HD LYS 48 -0.405 4.833 8.574 342 1HE LYS 48 2HE LYS 48 -2.332 2.456 9.019 343 2HE LYS 48 1HE LYS 48 -1.032 3.006 10.144 344 1HZ LYS 48 1HZ LYS 48 -3.663 3.917 9.944 345 2HZ LYS 48 2HZ LYS 48 -2.656 5.228 9.541 346 3HZ LYS 48 3HZ LYS 48 -2.467 4.438 10.997 347 H ILE 49 H ILE 49 -0.921 4.677 2.499 348 HA ILE 49 HA ILE 49 -3.131 2.899 2.149 349 HB ILE 49 HB ILE 49 -3.138 3.820 0.217 350 1HG1 ILE 49 2HG1 ILE 49 -0.229 2.990 -0.133 351 2HG1 ILE 49 1HG1 ILE 49 -1.620 1.871 -0.414 352 1HG2 ILE 49 1HG2 ILE 49 -0.593 5.380 0.930 353 2HG2 ILE 49 2HG2 ILE 49 -2.320 5.896 1.085 354 3HG2 ILE 49 3HG2 ILE 49 -1.605 5.635 -0.519 355 1HD1 ILE 49 1HD1 ILE 49 -0.980 4.380 -2.084 356 2HD1 ILE 49 2HD1 ILE 49 -2.496 3.413 -2.214 357 3HD1 ILE 49 3HD1 ILE 49 -0.907 2.657 -2.592 358 H ILE 50 H ILE 50 -2.697 0.728 1.678 359 HA ILE 50 HA ILE 50 -0.203 -0.166 2.956 360 HB ILE 50 HB ILE 50 -2.921 -1.416 3.048 361 1HG1 ILE 50 2HG1 ILE 50 -3.222 0.813 4.072 362 2HG1 ILE 50 1HG1 ILE 50 -3.404 -0.549 5.182 363 1HG2 ILE 50 1HG2 ILE 50 -1.059 -2.934 3.591 364 2HG2 ILE 50 2HG2 ILE 50 -2.083 -2.593 5.035 365 3HG2 ILE 50 3HG2 ILE 50 -0.469 -1.808 4.877 366 1HD1 ILE 50 1HD1 ILE 50 -1.128 -0.100 6.173 367 2HD1 ILE 50 2HD1 ILE 50 -2.171 1.359 6.245 368 3HD1 ILE 50 3HD1 ILE 50 -0.881 1.242 4.995 369 H ILE 51 H ILE 51 0.977 -1.449 1.619 370 HA ILE 51 HA ILE 51 -0.441 -3.210 -0.238 371 HB ILE 51 HB ILE 51 2.260 -1.975 -0.682 372 1HG1 ILE 51 2HG1 ILE 51 -0.621 -1.248 -1.333 373 2HG1 ILE 51 1HG1 ILE 51 0.653 -0.221 -0.663 374 1HG2 ILE 51 1HG2 ILE 51 1.903 -2.928 -2.979 375 2HG2 ILE 51 2HG2 ILE 51 0.318 -3.607 -2.467 376 3HG2 ILE 51 3HG2 ILE 51 1.855 -4.248 -1.786 377 1HD1 ILE 51 1HD1 ILE 51 0.476 -1.307 -3.556 378 2HD1 ILE 51 2HD1 ILE 51 1.835 -0.271 -2.939 379 3HD1 ILE 51 3HD1 ILE 51 0.151 0.388 -3.043 380 H ASN 52 H ASN 52 -0.455 -5.094 0.393 381 HA ASN 52 HA ASN 52 1.946 -6.497 1.321 382 1HB ASN 52 2HB ASN 52 -0.975 -7.220 2.028 383 2HB ASN 52 1HB ASN 52 0.503 -8.133 2.488 384 1HD2 ASN 52 1HD2 ASN 52 -1.396 -5.230 3.276 385 2HD2 ASN 52 2HD2 ASN 52 -0.569 -4.966 4.802 386 H ARG 53 H ARG 53 2.058 -8.739 0.572 387 HA ARG 53 HA ARG 53 0.107 -9.559 -1.400 388 1HB ARG 53 2HB ARG 53 1.974 -10.253 -2.797 389 2HB ARG 53 1HB ARG 53 1.931 -8.452 -2.604 390 1HG ARG 53 2HG ARG 53 3.886 -8.552 -1.076 391 2HG ARG 53 1HG ARG 53 3.775 -10.341 -1.006 392 1HD ARG 53 2HD ARG 53 4.075 -10.323 -3.557 393 2HD ARG 53 1HD ARG 53 4.702 -8.628 -3.393 394 HE ARG 53 HE ARG 53 6.175 -9.906 -1.467 395 1HH1 ARG 53 1HH1 ARG 53 5.421 -11.282 -4.666 396 2HH1 ARG 53 2HH1 ARG 53 6.476 -12.649 -4.402 397 1HH2 ARG 53 1HH2 ARG 53 7.829 -11.299 -1.402 398 2HH2 ARG 53 2HH2 ARG 53 7.921 -12.633 -2.498 399 H GLN 54 H GLN 54 -0.443 -11.653 -1.312 400 HA GLN 54 HA GLN 54 1.050 -13.415 0.450 401 1HB GLN 54 2HB GLN 54 -1.771 -13.323 -0.721 402 2HB GLN 54 1HB GLN 54 -1.157 -14.715 0.215 403 1HG GLN 54 2HG GLN 54 -1.465 -11.799 1.241 404 2HG GLN 54 1HG GLN 54 -2.611 -13.136 1.565 405 1HE2 GLN 54 1HE2 GLN 54 -1.703 -15.079 2.733 406 2HE2 GLN 54 2HE2 GLN 54 -0.512 -14.764 3.969 407 H GLU 55 H GLU 55 2.427 -14.629 -0.559 408 HA GLU 55 HA GLU 55 2.859 -14.808 -3.186 409 1HB GLU 55 2HB GLU 55 3.660 -16.745 -1.007 410 2HB GLU 55 1HB GLU 55 4.215 -16.883 -2.705 411 1HG GLU 55 2HG GLU 55 5.231 -14.634 -2.631 412 2HG GLU 55 1HG GLU 55 4.691 -14.412 -0.929 413 HA PRO 56 HA PRO 56 1.013 -18.833 -4.142 414 1HB PRO 56 2HB PRO 56 -1.331 -19.172 -2.219 415 2HB PRO 56 1HB PRO 56 -0.235 -20.440 -2.896 416 1HG PRO 56 2HG PRO 56 0.085 -19.583 -0.312 417 2HG PRO 56 1HG PRO 56 1.552 -19.779 -1.372 418 1HD PRO 56 2HD PRO 56 -0.028 -17.181 -0.837 419 2HD PRO 56 1HD PRO 56 1.758 -17.473 -0.674 420 H LEU 57 H LEU 57 -0.861 -16.037 -3.425 421 HA LEU 57 HA LEU 57 -3.123 -16.862 -4.964 422 1HB LEU 57 2HB LEU 57 -2.485 -14.036 -4.037 423 2HB LEU 57 1HB LEU 57 -4.069 -14.696 -4.580 424 HG LEU 57 HG LEU 57 -2.432 -15.542 -2.180 425 1HD1 LEU 57 1HD1 LEU 57 -5.097 -13.937 -2.301 426 2HD1 LEU 57 2HD1 LEU 57 -3.475 -13.210 -2.023 427 3HD1 LEU 57 3HD1 LEU 57 -4.180 -14.337 -0.801 428 1HD2 LEU 57 1HD2 LEU 57 -5.295 -16.412 -2.971 429 2HD2 LEU 57 2HD2 LEU 57 -4.531 -16.759 -1.381 430 3HD2 LEU 57 3HD2 LEU 57 -3.831 -17.471 -2.878 431 H HIS 58 H HIS 58 -0.336 -14.839 -5.297 432 HA HIS 58 HA HIS 58 0.767 -13.942 -7.052 433 1HB HIS 58 2HB HIS 58 -0.983 -15.447 -8.960 434 2HB HIS 58 1HB HIS 58 0.627 -14.723 -9.262 435 HD1 HIS 58 1HD HIS 58 -0.920 -17.862 -8.471 436 HD2 HIS 58 2HD HIS 58 2.681 -16.046 -7.297 437 HE1 HIS 58 1HE HIS 58 0.609 -19.691 -7.721 438 H GLN 59 H GLN 59 -1.731 -12.679 -5.907 439 HA GLN 59 HA GLN 59 -1.979 -10.563 -7.872 440 1HB GLN 59 2HB GLN 59 -4.314 -10.170 -6.882 441 2HB GLN 59 1HB GLN 59 -4.139 -11.483 -8.056 442 1HG GLN 59 2HG GLN 59 -4.242 -13.208 -6.344 443 2HG GLN 59 1HG GLN 59 -4.014 -12.016 -5.017 444 1HE2 GLN 59 1HE2 GLN 59 -6.292 -11.746 -7.848 445 2HE2 GLN 59 2HE2 GLN 59 -7.717 -11.804 -6.858 446 H VAL 60 H VAL 60 -2.411 -8.504 -6.665 447 HA VAL 60 HA VAL 60 -1.067 -8.661 -4.025 448 HB VAL 60 HB VAL 60 -0.927 -6.554 -6.170 449 1HG1 VAL 60 1HG1 VAL 60 -0.509 -5.509 -3.936 450 2HG1 VAL 60 2HG1 VAL 60 1.054 -5.714 -4.770 451 3HG1 VAL 60 3HG1 VAL 60 0.587 -6.867 -3.469 452 1HG2 VAL 60 1HG2 VAL 60 1.476 -7.306 -6.398 453 2HG2 VAL 60 2HG2 VAL 60 0.291 -8.534 -6.944 454 3HG2 VAL 60 3HG2 VAL 60 1.108 -8.710 -5.331 455 H TRP 61 H TRP 61 -1.765 -6.908 -2.429 456 HA TRP 61 HA TRP 61 -4.471 -6.062 -3.085 457 1HB TRP 61 2HB TRP 61 -5.170 -6.424 -1.090 458 2HB TRP 61 1HB TRP 61 -3.823 -7.583 -1.045 459 HD1 TRP 61 HD TRP 61 -1.778 -4.901 -0.336 460 HE1 TRP 61 1HE TRP 61 -2.250 -3.595 1.812 461 HE3 TRP 61 3HE TRP 61 -6.028 -7.189 1.138 462 HZ2 TRP 61 2HZ TRP 61 -3.675 -4.150 4.272 463 HZ3 TRP 61 3HZ TRP 61 -6.862 -6.821 3.410 464 HH2 TRP 61 HH TRP 61 -5.713 -5.326 4.945 465 H LEU 62 H LEU 62 -5.265 -4.002 -2.729 466 HA LEU 62 HA LEU 62 -3.336 -1.947 -1.930 467 1HB LEU 62 2HB LEU 62 -5.718 -1.828 -3.868 468 2HB LEU 62 1HB LEU 62 -4.879 -0.369 -3.249 469 HG LEU 62 HG LEU 62 -3.615 -2.549 -4.986 470 1HD1 LEU 62 1HD1 LEU 62 -3.806 -0.812 -6.823 471 2HD1 LEU 62 2HD1 LEU 62 -4.756 0.230 -5.701 472 3HD1 LEU 62 3HD1 LEU 62 -5.406 -1.372 -6.210 473 1HD2 LEU 62 1HD2 LEU 62 -1.792 -0.821 -5.335 474 2HD2 LEU 62 2HD2 LEU 62 -1.907 -1.399 -3.636 475 3HD2 LEU 62 3HD2 LEU 62 -2.572 0.217 -4.079 476 H ALA 63 H ALA 63 -3.997 -1.999 0.319 477 HA ALA 63 HA ALA 63 -6.820 -1.287 0.698 478 1HB ALA 63 1HB ALA 63 -4.726 -2.035 2.774 479 2HB ALA 63 2HB ALA 63 -6.080 -3.050 2.187 480 3HB ALA 63 3HB ALA 63 -6.432 -1.547 3.111 481 H THR 64 H THR 64 -7.435 0.578 1.687 482 HA THR 64 HA THR 64 -5.599 2.795 1.514 483 HB THR 64 HB THR 64 -6.874 4.101 -0.064 484 HG1 THR 64 1HG THR 64 -8.345 3.141 -1.358 485 1HG2 THR 64 1HG2 THR 64 -5.952 1.434 -1.304 486 2HG2 THR 64 2HG2 THR 64 -4.844 2.745 -0.761 487 3HG2 THR 64 3HG2 THR 64 -6.010 3.051 -2.095 488 H LYS 65 H LYS 65 -8.693 3.916 1.007 489 HA LYS 65 HA LYS 65 -9.238 4.067 3.888 490 1HB LYS 65 2HB LYS 65 -9.186 6.085 1.985 491 2HB LYS 65 1HB LYS 65 -10.910 5.695 2.030 492 1HG LYS 65 2HG LYS 65 -9.127 6.568 4.381 493 2HG LYS 65 1HG LYS 65 -10.416 7.497 3.565 494 1HD LYS 65 2HD LYS 65 -12.061 5.661 4.336 495 2HD LYS 65 1HD LYS 65 -10.729 5.020 5.353 496 1HE LYS 65 2HE LYS 65 -10.612 7.367 6.459 497 2HE LYS 65 1HE LYS 65 -12.119 7.779 5.546 498 1HZ LYS 65 1HZ LYS 65 -12.788 5.427 6.633 499 2HZ LYS 65 2HZ LYS 65 -13.048 6.916 7.396 500 3HZ LYS 65 3HZ LYS 65 -11.694 5.969 7.788 501 H GLN 66 H GLN 66 -10.544 3.214 0.678 502 HA GLN 66 HA GLN 66 -13.146 2.987 1.578 503 1HB GLN 66 2HB GLN 66 -12.172 3.586 -0.635 504 2HB GLN 66 1HB GLN 66 -11.793 1.871 -0.923 505 1HG GLN 66 2HG GLN 66 -14.266 1.339 -0.886 506 2HG GLN 66 1HG GLN 66 -14.621 3.075 -0.533 507 1HE2 GLN 66 1HE2 GLN 66 -15.777 2.001 -2.772 508 2HE2 GLN 66 2HE2 GLN 66 -14.877 2.285 -4.228 509 H GLY 67 H GLY 67 -10.688 0.397 1.462 510 1HA GLY 67 2HA GLY 67 -11.875 -1.176 3.220 511 2HA GLY 67 1HA GLY 67 -12.751 -1.609 1.711 512 H GLY 68 H GLY 68 -10.358 -1.254 0.068 513 1HA GLY 68 2HA GLY 68 -8.347 -2.261 -0.191 514 2HA GLY 68 1HA GLY 68 -8.810 -3.656 0.813 515 H TYR 69 H TYR 69 -8.144 -2.644 -2.237 516 HA TYR 69 HA TYR 69 -9.944 -4.536 -3.569 517 1HB TYR 69 2HB TYR 69 -8.070 -2.866 -5.204 518 2HB TYR 69 1HB TYR 69 -9.783 -3.266 -5.474 519 HD1 TYR 69 1HD TYR 69 -11.493 -1.920 -4.020 520 HD2 TYR 69 2HD TYR 69 -7.436 -0.809 -4.583 521 HE1 TYR 69 1HE TYR 69 -12.061 0.396 -3.489 522 HE2 TYR 69 2HE TYR 69 -7.984 1.499 -4.002 523 HH TYR 69 HH TYR 69 -11.280 2.573 -3.358 524 H HIS 70 H HIS 70 -8.901 -6.429 -4.578 525 HA HIS 70 HA HIS 70 -5.967 -6.297 -4.509 526 1HB HIS 70 2HB HIS 70 -5.885 -8.686 -4.667 527 2HB HIS 70 1HB HIS 70 -6.681 -8.153 -3.160 528 HD1 HIS 70 1HD HIS 70 -8.613 -9.534 -2.595 529 HD2 HIS 70 2HD HIS 70 -8.100 -9.414 -6.760 530 HE1 HIS 70 1HE HIS 70 -10.345 -11.067 -3.606 531 H PHE 71 H PHE 71 -4.800 -7.059 -6.319 532 HA PHE 71 HA PHE 71 -6.333 -6.582 -8.761 533 1HB PHE 71 2HB PHE 71 -4.803 -4.946 -9.492 534 2HB PHE 71 1HB PHE 71 -5.422 -4.540 -7.834 535 HD1 PHE 71 1HD PHE 71 -2.547 -5.166 -9.841 536 HD2 PHE 71 2HD PHE 71 -3.979 -4.601 -5.900 537 HE1 PHE 71 1HE PHE 71 -0.294 -4.494 -9.138 538 HE2 PHE 71 2HE PHE 71 -1.751 -3.876 -5.188 539 HZ PHE 71 HZ PHE 71 0.098 -3.810 -6.802 540 H ASP 72 H ASP 72 -5.992 -7.615 -10.514 541 HA ASP 72 HA ASP 72 -3.984 -9.743 -10.484 542 1HB ASP 72 2HB ASP 72 -6.720 -9.496 -11.887 543 2HB ASP 72 1HB ASP 72 -5.583 -10.886 -12.072 544 H LEU 73 H LEU 73 -3.395 -10.394 -12.857 545 HA LEU 73 HA LEU 73 -2.903 -7.926 -14.396 546 1HB LEU 73 2HB LEU 73 -0.924 -8.944 -13.254 547 2HB LEU 73 1HB LEU 73 -1.258 -10.481 -14.095 548 HG LEU 73 HG LEU 73 -0.867 -9.313 -16.307 549 1HD1 LEU 73 1HD1 LEU 73 0.286 -7.088 -16.311 550 2HD1 LEU 73 2HD1 LEU 73 0.039 -6.949 -14.531 551 3HD1 LEU 73 3HD1 LEU 73 -1.382 -6.934 -15.641 552 1HD2 LEU 73 1HD2 LEU 73 1.608 -9.136 -16.025 553 2HD2 LEU 73 2HD2 LEU 73 0.944 -10.584 -15.180 554 3HD2 LEU 73 3HD2 LEU 73 1.407 -9.117 -14.235 555 H LYS 74 H LYS 74 -4.349 -7.888 -16.058 556 HA LYS 74 HA LYS 74 -4.944 -10.197 -17.578 557 1HB LYS 74 2HB LYS 74 -5.477 -7.294 -17.612 558 2HB LYS 74 1HB LYS 74 -5.230 -7.942 -19.257 559 1HG LYS 74 2HG LYS 74 -6.906 -9.737 -18.806 560 2HG LYS 74 1HG LYS 74 -7.285 -8.974 -17.227 561 1HD LYS 74 2HD LYS 74 -7.899 -6.856 -18.354 562 2HD LYS 74 1HD LYS 74 -7.413 -7.498 -19.944 563 1HE LYS 74 2HE LYS 74 -9.755 -8.605 -18.242 564 2HE LYS 74 1HE LYS 74 -9.884 -7.424 -19.606 565 1HZ LYS 74 1HZ LYS 74 -10.344 -9.420 -20.530 566 2HZ LYS 74 2HZ LYS 74 -9.134 -10.285 -19.737 567 3HZ LYS 74 3HZ LYS 74 -8.732 -9.203 -20.977 568 H GLY 75 H GLY 75 -2.761 -7.434 -18.329 569 1HA GLY 75 2HA GLY 75 -0.776 -9.167 -19.337 570 2HA GLY 75 1HA GLY 75 -1.781 -8.486 -20.670 571 H ASP 76 H ASP 76 -1.955 -6.051 -20.679 572 HA ASP 76 HA ASP 76 0.563 -4.835 -19.801 573 1HB ASP 76 2HB ASP 76 -0.119 -5.025 -22.356 574 2HB ASP 76 1HB ASP 76 -1.313 -3.741 -21.972 575 H GLU 77 H GLU 77 -1.827 -5.452 -18.193 576 HA GLU 77 HA GLU 77 -2.585 -2.878 -17.173 577 1HB GLU 77 2HB GLU 77 -5.023 -3.337 -17.522 578 2HB GLU 77 1HB GLU 77 -4.157 -2.700 -18.922 579 1HG GLU 77 2HG GLU 77 -4.506 -5.728 -18.662 580 2HG GLU 77 1HG GLU 77 -5.906 -4.706 -19.137 581 H TRP 78 H TRP 78 -2.327 -3.238 -15.150 582 HA TRP 78 HA TRP 78 -3.174 -5.748 -13.944 583 1HB TRP 78 2HB TRP 78 -2.140 -3.086 -12.809 584 2HB TRP 78 1HB TRP 78 -2.737 -4.444 -11.797 585 HD1 TRP 78 HD TRP 78 0.342 -3.272 -13.763 586 HE1 TRP 78 1HE TRP 78 2.332 -4.777 -12.994 587 HE3 TRP 78 3HE TRP 78 -2.257 -6.820 -11.236 588 HZ2 TRP 78 2HZ TRP 78 2.696 -6.935 -11.297 589 HZ3 TRP 78 3HZ TRP 78 -1.044 -8.528 -9.997 590 HH2 TRP 78 HH TRP 78 1.386 -8.597 -9.994 591 H ILE 79 H ILE 79 -5.348 -6.010 -13.209 592 HA ILE 79 HA ILE 79 -7.006 -3.643 -13.419 593 HB ILE 79 HB ILE 79 -8.545 -4.657 -14.627 594 1HG1 ILE 79 2HG1 ILE 79 -8.842 -6.812 -13.641 595 2HG1 ILE 79 1HG1 ILE 79 -8.674 -6.946 -15.406 596 1HG2 ILE 79 1HG2 ILE 79 -6.539 -3.954 -15.905 597 2HG2 ILE 79 2HG2 ILE 79 -7.507 -5.236 -16.717 598 3HG2 ILE 79 3HG2 ILE 79 -5.956 -5.659 -15.911 599 1HD1 ILE 79 1HD1 ILE 79 -6.252 -7.713 -15.099 600 2HD1 ILE 79 2HD1 ILE 79 -7.486 -8.825 -14.399 601 3HD1 ILE 79 3HD1 ILE 79 -6.561 -7.736 -13.314 602 H CYS 80 H CYS 80 -8.477 -3.336 -11.877 603 HA CYS 80 HA CYS 80 -7.843 -4.694 -9.479 604 1HB CYS 80 2HB CYS 80 -9.580 -2.319 -10.222 605 2HB CYS 80 1HB CYS 80 -9.709 -2.976 -8.602 606 HG CYS 80 HG CYS 80 -7.168 -2.806 -7.983 607 H ASP 81 H ASP 81 -8.973 -6.421 -8.507 608 HA ASP 81 HA ASP 81 -11.432 -7.168 -9.751 609 1HB ASP 81 2HB ASP 81 -9.418 -8.670 -9.088 610 2HB ASP 81 1HB ASP 81 -10.018 -8.527 -7.396 611 H ARG 82 H ARG 82 -12.106 -4.887 -8.784 612 HA ARG 82 HA ARG 82 -13.935 -5.570 -6.645 613 1HB ARG 82 2HB ARG 82 -11.659 -4.624 -5.749 614 2HB ARG 82 1HB ARG 82 -12.269 -3.035 -6.246 615 1HG ARG 82 2HG ARG 82 -13.740 -5.015 -4.356 616 2HG ARG 82 1HG ARG 82 -12.504 -3.854 -3.824 617 1HD ARG 82 2HD ARG 82 -14.007 -1.967 -4.798 618 2HD ARG 82 1HD ARG 82 -15.322 -3.218 -4.886 619 HE ARG 82 HE ARG 82 -14.131 -3.454 -2.300 620 1HH1 ARG 82 1HH1 ARG 82 -16.039 -0.938 -4.006 621 2HH1 ARG 82 2HH1 ARG 82 -16.332 -0.068 -2.560 622 1HH2 ARG 82 1HH2 ARG 82 -14.850 -2.345 -0.380 623 2HH2 ARG 82 2HH2 ARG 82 -15.661 -0.863 -0.530 624 H SER 83 H SER 83 -15.271 -5.545 -8.404 625 HA SER 83 HA SER 83 -16.992 -4.768 -9.378 626 1HB SER 83 2HB SER 83 -16.404 -1.951 -8.430 627 2HB SER 83 1HB SER 83 -17.929 -2.528 -9.179 628 HG SER 83 HG SER 83 -18.326 -3.760 -7.411 629 H GLY 84 H GLY 84 -14.086 -2.817 -10.233 630 1HA GLY 84 2HA GLY 84 -14.925 -2.851 -12.973 631 2HA GLY 84 1HA GLY 84 -15.030 -1.259 -12.124 632 H GLU 85 H GLU 85 -12.984 -3.545 -13.738 633 HA GLU 85 HA GLU 85 -10.857 -3.175 -12.031 634 1HB GLU 85 2HB GLU 85 -9.969 -5.016 -13.190 635 2HB GLU 85 1HB GLU 85 -11.656 -5.296 -12.761 636 1HG GLU 85 2HG GLU 85 -10.994 -4.391 -15.634 637 2HG GLU 85 1HG GLU 85 -10.802 -6.085 -15.095 638 H THR 86 H THR 86 -9.572 -1.465 -12.016 639 HA THR 86 HA THR 86 -7.687 -1.450 -14.129 640 HB THR 86 HB THR 86 -9.006 1.238 -13.341 641 HG1 THR 86 1HG THR 86 -9.838 -0.566 -15.221 642 1HG2 THR 86 1HG2 THR 86 -7.333 0.426 -15.821 643 2HG2 THR 86 2HG2 THR 86 -6.660 1.322 -14.400 644 3HG2 THR 86 3HG2 THR 86 -7.939 2.066 -15.432 645 H PHE 87 H PHE 87 -5.644 -1.242 -13.265 646 HA PHE 87 HA PHE 87 -5.430 -0.784 -10.579 647 1HB PHE 87 2HB PHE 87 -3.989 -2.238 -11.816 648 2HB PHE 87 1HB PHE 87 -3.395 -0.899 -12.852 649 HD1 PHE 87 1HD PHE 87 -3.714 -1.674 -9.172 650 HD2 PHE 87 2HD PHE 87 -1.270 -0.295 -12.370 651 HE1 PHE 87 1HE PHE 87 -1.832 -1.425 -7.631 652 HE2 PHE 87 2HE PHE 87 0.606 -0.043 -10.839 653 HZ PHE 87 HZ PHE 87 0.346 -0.643 -8.461 654 H TRP 88 H TRP 88 -3.542 1.366 -12.847 655 HA TRP 88 HA TRP 88 -2.982 3.032 -10.780 656 1HB TRP 88 2HB TRP 88 -3.031 3.659 -13.773 657 2HB TRP 88 1HB TRP 88 -2.153 4.573 -12.514 658 HD1 TRP 88 HD TRP 88 -1.582 2.133 -15.106 659 HE1 TRP 88 1HE TRP 88 0.829 1.255 -14.961 660 HE3 TRP 88 3HE TRP 88 -0.474 3.670 -10.409 661 HZ2 TRP 88 2HZ TRP 88 2.878 1.141 -13.045 662 HZ3 TRP 88 3HZ TRP 88 1.778 3.165 -9.493 663 HH2 TRP 88 HH TRP 88 3.402 1.955 -10.794 664 H ASP 89 H ASP 89 -5.716 2.991 -12.833 665 HA ASP 89 HA ASP 89 -6.525 5.691 -12.331 666 1HB ASP 89 2HB ASP 89 -6.951 4.119 -14.433 667 2HB ASP 89 1HB ASP 89 -8.389 3.563 -13.493 668 H LEU 90 H LEU 90 -7.598 2.459 -11.008 669 HA LEU 90 HA LEU 90 -9.567 3.720 -9.463 670 1HB LEU 90 2HB LEU 90 -9.587 1.304 -10.030 671 2HB LEU 90 1HB LEU 90 -8.149 1.048 -9.011 672 HG LEU 90 HG LEU 90 -9.367 1.832 -7.026 673 1HD1 LEU 90 1HD1 LEU 90 -11.912 2.044 -7.083 674 2HD1 LEU 90 2HD1 LEU 90 -11.838 2.008 -8.886 675 3HD1 LEU 90 3HD1 LEU 90 -11.079 3.364 -7.965 676 1HD2 LEU 90 1HD2 LEU 90 -10.791 -0.448 -8.548 677 2HD2 LEU 90 2HD2 LEU 90 -10.968 -0.117 -6.779 678 3HD2 LEU 90 3HD2 LEU 90 -9.360 -0.581 -7.442 679 H LEU 91 H LEU 91 -6.289 2.659 -8.931 680 HA LEU 91 HA LEU 91 -5.747 3.503 -6.398 681 1HB LEU 91 2HB LEU 91 -4.256 2.227 -7.998 682 2HB LEU 91 1HB LEU 91 -3.921 3.767 -8.833 683 HG LEU 91 HG LEU 91 -2.946 4.639 -6.623 684 1HD1 LEU 91 1HD1 LEU 91 -3.056 1.648 -5.856 685 2HD1 LEU 91 2HD1 LEU 91 -4.046 2.932 -5.068 686 3HD1 LEU 91 3HD1 LEU 91 -2.249 2.955 -4.923 687 1HD2 LEU 91 1HD2 LEU 91 -1.555 3.836 -8.520 688 2HD2 LEU 91 2HD2 LEU 91 -1.673 2.136 -7.917 689 3HD2 LEU 91 3HD2 LEU 91 -0.803 3.382 -6.938 690 H GLU 92 H GLU 92 -5.748 5.595 -9.314 691 HA GLU 92 HA GLU 92 -5.027 7.947 -8.007 692 1HB GLU 92 2HB GLU 92 -4.893 7.808 -10.373 693 2HB GLU 92 1HB GLU 92 -6.604 7.359 -10.553 694 1HG GLU 92 2HG GLU 92 -5.936 10.065 -9.288 695 2HG GLU 92 1HG GLU 92 -5.685 9.840 -11.049 696 H GLN 93 H GLN 93 -8.293 6.561 -8.619 697 HA GLN 93 HA GLN 93 -9.656 8.666 -7.440 698 1HB GLN 93 2HB GLN 93 -10.519 6.766 -8.891 699 2HB GLN 93 1HB GLN 93 -10.482 5.716 -7.456 700 1HG GLN 93 2HG GLN 93 -12.041 7.322 -6.267 701 2HG GLN 93 1HG GLN 93 -12.119 8.333 -7.754 702 1HE2 GLN 93 1HE2 GLN 93 -12.616 6.785 -9.845 703 2HE2 GLN 93 2HE2 GLN 93 -13.996 5.764 -9.606 704 H ALA 94 H ALA 94 -8.518 5.636 -6.027 705 HA ALA 94 HA ALA 94 -9.241 5.998 -3.386 706 1HB ALA 94 1HB ALA 94 -6.782 4.568 -4.541 707 2HB ALA 94 2HB ALA 94 -8.441 3.883 -4.434 708 3HB ALA 94 3HB ALA 94 -7.546 4.285 -2.924 709 H ALA 95 H ALA 95 -6.334 7.205 -5.094 710 HA ALA 95 HA ALA 95 -5.137 8.171 -2.719 711 1HB ALA 95 1HB ALA 95 -3.428 9.015 -4.186 712 2HB ALA 95 2HB ALA 95 -4.550 8.996 -5.622 713 3HB ALA 95 3HB ALA 95 -3.953 7.466 -4.894 714 H THR 96 H THR 96 -6.973 9.760 -5.330 715 HA THR 96 HA THR 96 -7.062 12.288 -4.280 716 HB THR 96 HB THR 96 -9.251 10.878 -5.849 717 HG1 THR 96 1HG THR 96 -7.592 10.758 -7.158 718 1HG2 THR 96 1HG2 THR 96 -8.393 13.852 -5.601 719 2HG2 THR 96 2HG2 THR 96 -9.933 13.161 -4.957 720 3HG2 THR 96 3HG2 THR 96 -9.635 13.207 -6.730 721 H GLN 97 H GLN 97 -8.721 9.475 -3.327 722 HA GLN 97 HA GLN 97 -10.613 10.667 -1.552 723 1HB GLN 97 2HB GLN 97 -11.397 8.655 -2.154 724 2HB GLN 97 1HB GLN 97 -9.782 8.061 -2.533 725 1HG GLN 97 2HG GLN 97 -9.418 7.596 -0.021 726 2HG GLN 97 1HG GLN 97 -11.170 7.845 0.220 727 1HE2 GLN 97 1HE2 GLN 97 -12.233 6.626 -2.118 728 2HE2 GLN 97 2HE2 GLN 97 -11.737 4.957 -2.175 729 H GLN 98 H GLN 98 -7.510 8.919 -0.918 730 HA GLN 98 HA GLN 98 -7.660 9.601 1.802 731 1HB GLN 98 2HB GLN 98 -5.365 8.517 0.100 732 2HB GLN 98 1HB GLN 98 -5.327 8.692 1.888 733 1HG GLN 98 2HG GLN 98 -7.480 7.266 1.955 734 2HG GLN 98 1HG GLN 98 -7.164 6.856 0.232 735 1HE2 GLN 98 1HE2 GLN 98 -6.283 6.187 3.556 736 2HE2 GLN 98 2HE2 GLN 98 -4.942 5.124 3.206 737 H ALA 99 H ALA 99 -5.752 11.087 -0.849 738 HA ALA 99 HA ALA 99 -4.371 12.780 1.009 739 1HB ALA 99 1HB ALA 99 -3.364 13.729 -1.066 740 2HB ALA 99 2HB ALA 99 -4.531 12.782 -2.065 741 3HB ALA 99 3HB ALA 99 -3.296 11.931 -1.070 742 H GLY 100 H GLY 100 -7.200 13.060 -1.110 743 1HA GLY 100 2HA GLY 100 -8.740 14.678 -1.230 744 2HA GLY 100 1HA GLY 100 -7.885 15.595 0.057 745 H GLU 101 H GLU 101 -6.593 14.383 -2.991 746 HA GLU 101 HA GLU 101 -6.388 16.849 -4.378 747 1HB GLU 101 2HB GLU 101 -4.722 17.397 -2.651 748 2HB GLU 101 1HB GLU 101 -4.107 15.724 -2.649 749 1HG GLU 101 2HG GLU 101 -3.101 16.018 -4.889 750 2HG GLU 101 1HG GLU 101 -3.745 17.703 -4.992 751 H THR 102 H THR 102 -5.597 16.240 -6.571 752 HA THR 102 HA THR 102 -5.815 13.459 -7.032 753 HB THR 102 HB THR 102 -4.816 15.541 -8.975 754 HG1 THR 102 1HG THR 102 -6.807 15.742 -9.523 755 1HG2 THR 102 1HG2 THR 102 -5.874 12.630 -9.285 756 2HG2 THR 102 2HG2 THR 102 -4.217 13.185 -9.684 757 3HG2 THR 102 3HG2 THR 102 -5.599 13.769 -10.648 758 H VAL 103 H VAL 103 -4.303 12.323 -5.977 759 HA VAL 103 HA VAL 103 -1.491 12.686 -6.712 760 HB VAL 103 HB VAL 103 -2.934 10.753 -4.923 761 1HG1 VAL 103 1HG1 VAL 103 -0.777 9.756 -5.789 762 2HG1 VAL 103 2HG1 VAL 103 -0.596 10.197 -4.060 763 3HG1 VAL 103 3HG1 VAL 103 0.108 11.260 -5.331 764 1HG2 VAL 103 1HG2 VAL 103 -1.268 13.278 -4.285 765 2HG2 VAL 103 2HG2 VAL 103 -1.837 12.080 -3.057 766 3HG2 VAL 103 3HG2 VAL 103 -3.033 13.036 -3.989 767 H SER 104 H SER 104 -1.080 11.972 -8.645 768 HA SER 104 HA SER 104 -2.239 9.426 -9.558 769 1HB SER 104 2HB SER 104 -2.533 10.374 -11.850 770 2HB SER 104 1HB SER 104 -3.610 11.092 -10.616 771 HG SER 104 HG SER 104 -2.705 12.690 -11.890 772 H PHE 105 H PHE 105 -0.885 8.036 -10.547 773 HA PHE 105 HA PHE 105 1.879 8.834 -10.794 774 1HB PHE 105 2HB PHE 105 0.284 6.206 -10.876 775 2HB PHE 105 1HB PHE 105 2.036 6.275 -11.260 776 HD1 PHE 105 1HD PHE 105 -0.125 5.525 -8.738 777 HD2 PHE 105 2HD PHE 105 3.380 7.812 -9.437 778 HE1 PHE 105 1HE PHE 105 0.511 5.260 -6.388 779 HE2 PHE 105 2HE PHE 105 3.999 7.593 -7.081 780 HZ PHE 105 HZ PHE 105 2.581 6.302 -5.553 781 H ARG 106 H ARG 106 -0.826 8.802 -12.802 782 HA ARG 106 HA ARG 106 0.727 8.188 -15.204 783 1HB ARG 106 2HB ARG 106 -2.240 8.585 -14.644 784 2HB ARG 106 1HB ARG 106 -1.587 8.535 -16.300 785 1HG ARG 106 2HG ARG 106 -1.176 6.272 -14.265 786 2HG ARG 106 1HG ARG 106 -2.596 6.361 -15.339 787 1HD ARG 106 2HD ARG 106 0.316 6.225 -16.371 788 2HD ARG 106 1HD ARG 106 -0.777 4.815 -16.170 789 HE ARG 106 HE ARG 106 -2.371 5.862 -17.764 790 1HH1 ARG 106 1HH1 ARG 106 0.940 7.321 -17.925 791 2HH1 ARG 106 2HH1 ARG 106 0.414 8.359 -19.216 792 1HH2 ARG 106 1HH2 ARG 106 -2.653 6.805 -19.818 793 2HH2 ARG 106 2HH2 ARG 106 -1.356 7.680 -20.518 Start of MODEL 8 1 HA MET 1 HA MET 1 7.156 -21.074 -13.701 2 1HB MET 1 2HB MET 1 7.286 -22.307 -10.884 3 2HB MET 1 1HB MET 1 5.867 -22.422 -11.980 4 1HG MET 1 2HG MET 1 8.661 -23.569 -12.489 5 2HG MET 1 1HG MET 1 7.224 -24.470 -11.950 6 1HE MET 1 1HE MET 1 9.083 -25.282 -14.119 7 2HE MET 1 2HE MET 1 8.002 -25.850 -15.433 8 3HE MET 1 3HE MET 1 7.597 -26.213 -13.720 9 H ASN 2 H ASN 2 6.212 -20.773 -10.364 10 HA ASN 2 HA ASN 2 4.848 -18.341 -11.097 11 1HB ASN 2 2HB ASN 2 3.525 -18.878 -8.972 12 2HB ASN 2 1HB ASN 2 3.347 -19.918 -10.421 13 1HD2 ASN 2 1HD2 ASN 2 2.483 -21.552 -9.114 14 2HD2 ASN 2 2HD2 ASN 2 3.440 -22.510 -8.032 15 H ASP 3 H ASP 3 6.780 -19.459 -8.317 16 HA ASP 3 HA ASP 3 6.781 -17.184 -6.871 17 1HB ASP 3 2HB ASP 3 7.514 -19.511 -6.268 18 2HB ASP 3 1HB ASP 3 9.011 -19.280 -7.240 19 H SER 4 H SER 4 9.000 -17.992 -9.544 20 HA SER 4 HA SER 4 10.618 -15.720 -9.320 21 1HB SER 4 2HB SER 4 11.212 -16.420 -11.756 22 2HB SER 4 1HB SER 4 11.529 -17.574 -10.424 23 HG SER 4 HG SER 4 9.576 -17.687 -12.424 24 H GLU 5 H GLU 5 7.637 -16.380 -11.119 25 HA GLU 5 HA GLU 5 7.728 -14.057 -12.709 26 1HB GLU 5 2HB GLU 5 6.354 -16.292 -12.981 27 2HB GLU 5 1HB GLU 5 5.205 -15.560 -11.858 28 1HG GLU 5 2HG GLU 5 4.308 -15.048 -13.946 29 2HG GLU 5 1HG GLU 5 5.153 -13.516 -13.547 30 H PHE 6 H PHE 6 5.818 -14.934 -9.811 31 HA PHE 6 HA PHE 6 4.786 -12.596 -9.085 32 1HB PHE 6 2HB PHE 6 4.579 -14.967 -8.054 33 2HB PHE 6 1HB PHE 6 6.090 -14.641 -7.159 34 HD1 PHE 6 1HD PHE 6 2.845 -13.011 -7.977 35 HD2 PHE 6 2HD PHE 6 5.769 -13.778 -4.997 36 HE1 PHE 6 1HE PHE 6 1.483 -11.802 -6.332 37 HE2 PHE 6 2HE PHE 6 4.385 -12.630 -3.336 38 HZ PHE 6 HZ PHE 6 2.206 -11.661 -4.006 39 H HIS 7 H HIS 7 8.064 -13.703 -8.128 40 HA HIS 7 HA HIS 7 8.640 -11.381 -6.691 41 1HB HIS 7 2HB HIS 7 10.294 -13.652 -7.809 42 2HB HIS 7 1HB HIS 7 11.135 -12.196 -7.198 43 HD1 HIS 7 1HD HIS 7 10.577 -11.390 -4.787 44 HD2 HIS 7 2HD HIS 7 9.580 -15.388 -5.590 45 HE1 HIS 7 1HE HIS 7 10.316 -12.549 -2.565 46 H ARG 8 H ARG 8 9.319 -12.044 -10.184 47 HA ARG 8 HA ARG 8 10.766 -9.632 -10.358 48 1HB ARG 8 2HB ARG 8 10.633 -11.789 -11.939 49 2HB ARG 8 1HB ARG 8 9.400 -10.831 -12.776 50 1HG ARG 8 2HG ARG 8 11.190 -9.991 -13.923 51 2HG ARG 8 1HG ARG 8 11.355 -8.899 -12.527 52 1HD ARG 8 2HD ARG 8 12.912 -11.483 -13.122 53 2HD ARG 8 1HD ARG 8 13.568 -9.809 -13.115 54 HE ARG 8 HE ARG 8 12.946 -11.522 -10.734 55 1HH1 ARG 8 1HH1 ARG 8 13.813 -8.159 -11.688 56 2HH1 ARG 8 2HH1 ARG 8 14.060 -7.738 -10.025 57 1HH2 ARG 8 1HH2 ARG 8 13.243 -10.883 -8.727 58 2HH2 ARG 8 2HH2 ARG 8 13.313 -9.227 -8.313 59 H LEU 9 H LEU 9 7.364 -10.415 -10.952 60 HA LEU 9 HA LEU 9 6.540 -7.877 -11.750 61 1HB LEU 9 2HB LEU 9 5.182 -10.178 -10.272 62 2HB LEU 9 1HB LEU 9 4.307 -8.695 -10.740 63 HG LEU 9 HG LEU 9 5.758 -10.530 -12.723 64 1HD1 LEU 9 1HD1 LEU 9 2.765 -10.385 -11.992 65 2HD1 LEU 9 2HD1 LEU 9 3.897 -11.738 -11.609 66 3HD1 LEU 9 3HD1 LEU 9 3.481 -11.365 -13.325 67 1HD2 LEU 9 1HD2 LEU 9 3.742 -8.228 -13.157 68 2HD2 LEU 9 2HD2 LEU 9 4.341 -9.337 -14.438 69 3HD2 LEU 9 3HD2 LEU 9 5.486 -8.216 -13.617 70 H ALA 10 H ALA 10 6.700 -9.320 -8.449 71 HA ALA 10 HA ALA 10 5.809 -7.128 -7.082 72 1HB ALA 10 1HB ALA 10 6.963 -8.123 -5.107 73 2HB ALA 10 2HB ALA 10 7.900 -9.204 -6.205 74 3HB ALA 10 3HB ALA 10 6.110 -9.384 -6.062 75 H ASP 11 H ASP 11 9.237 -7.917 -7.845 76 HA ASP 11 HA ASP 11 10.359 -5.665 -6.789 77 1HB ASP 11 2HB ASP 11 11.047 -7.747 -8.835 78 2HB ASP 11 1HB ASP 11 11.915 -6.197 -9.079 79 H GLN 12 H GLN 12 9.017 -5.903 -10.136 80 HA GLN 12 HA GLN 12 9.840 -3.242 -10.603 81 1HB GLN 12 2HB GLN 12 8.670 -3.226 -12.645 82 2HB GLN 12 1HB GLN 12 9.585 -4.744 -12.469 83 1HG GLN 12 2HG GLN 12 7.568 -6.037 -12.037 84 2HG GLN 12 1HG GLN 12 6.549 -4.569 -11.875 85 1HE2 GLN 12 1HE2 GLN 12 6.464 -3.097 -13.822 86 2HE2 GLN 12 2HE2 GLN 12 6.357 -3.860 -15.376 87 H LEU 13 H LEU 13 6.718 -4.482 -9.251 88 HA LEU 13 HA LEU 13 5.352 -2.067 -9.487 89 1HB LEU 13 2HB LEU 13 5.303 -4.473 -7.591 90 2HB LEU 13 1HB LEU 13 4.055 -3.175 -7.543 91 HG LEU 13 HG LEU 13 4.783 -4.934 -9.899 92 1HD1 LEU 13 1HD1 LEU 13 2.452 -5.247 -7.892 93 2HD1 LEU 13 2HD1 LEU 13 3.870 -6.345 -8.086 94 3HD1 LEU 13 3HD1 LEU 13 2.638 -6.228 -9.396 95 1HD2 LEU 13 1HD2 LEU 13 3.634 -2.845 -10.673 96 2HD2 LEU 13 2HD2 LEU 13 2.308 -3.111 -9.476 97 3HD2 LEU 13 3HD2 LEU 13 2.510 -4.236 -10.866 98 H TRP 14 H TRP 14 6.961 -3.647 -6.798 99 HA TRP 14 HA TRP 14 6.713 -1.689 -4.894 100 1HB TRP 14 2HB TRP 14 8.549 -4.032 -5.325 101 2HB TRP 14 1HB TRP 14 9.136 -2.817 -4.184 102 HD1 TRP 14 HD TRP 14 8.688 -3.235 -1.869 103 HE1 TRP 14 1HE TRP 14 6.821 -4.285 -0.417 104 HE3 TRP 14 3HE TRP 14 5.611 -4.761 -5.582 105 HZ2 TRP 14 2HZ TRP 14 4.355 -5.589 -0.863 106 HZ3 TRP 14 3HZ TRP 14 3.530 -5.900 -5.025 107 HH2 TRP 14 HH TRP 14 2.903 -6.308 -2.701 108 H LEU 15 H LEU 15 9.492 -2.092 -7.117 109 HA LEU 15 HA LEU 15 10.855 0.160 -6.211 110 1HB LEU 15 2HB LEU 15 11.898 -1.655 -7.498 111 2HB LEU 15 1HB LEU 15 10.875 -1.284 -8.906 112 HG LEU 15 HG LEU 15 11.990 0.904 -9.199 113 1HD1 LEU 15 1HD1 LEU 15 12.563 1.502 -6.845 114 2HD1 LEU 15 2HD1 LEU 15 14.025 1.503 -7.886 115 3HD1 LEU 15 3HD1 LEU 15 13.724 0.119 -6.767 116 1HD2 LEU 15 1HD2 LEU 15 13.974 -1.433 -8.859 117 2HD2 LEU 15 2HD2 LEU 15 14.239 0.053 -9.847 118 3HD2 LEU 15 3HD2 LEU 15 12.938 -1.119 -10.303 119 H THR 16 H THR 16 8.801 -0.132 -9.191 120 HA THR 16 HA THR 16 9.203 2.540 -9.803 121 HB THR 16 HB THR 16 7.120 0.583 -10.757 122 HG1 THR 16 1HG THR 16 8.604 0.502 -12.470 123 1HG2 THR 16 1HG2 THR 16 6.345 2.948 -11.277 124 2HG2 THR 16 2HG2 THR 16 6.910 2.095 -12.750 125 3HG2 THR 16 3HG2 THR 16 7.972 3.313 -11.964 126 H ILE 17 H ILE 17 6.552 1.078 -7.910 127 HA ILE 17 HA ILE 17 5.043 3.433 -7.787 128 HB ILE 17 HB ILE 17 5.142 1.021 -5.973 129 1HG1 ILE 17 2HG1 ILE 17 3.070 1.896 -8.078 130 2HG1 ILE 17 1HG1 ILE 17 4.403 0.760 -8.435 131 1HG2 ILE 17 1HG2 ILE 17 4.259 2.936 -4.671 132 2HG2 ILE 17 2HG2 ILE 17 2.916 1.862 -5.143 133 3HG2 ILE 17 3HG2 ILE 17 3.172 3.397 -6.041 134 1HD1 ILE 17 1HD1 ILE 17 2.426 -0.575 -7.939 135 2HD1 ILE 17 2HD1 ILE 17 2.149 0.288 -6.384 136 3HD1 ILE 17 3HD1 ILE 17 3.594 -0.762 -6.589 137 H GLU 18 H GLU 18 7.422 2.057 -5.445 138 HA GLU 18 HA GLU 18 7.246 4.120 -3.624 139 1HB GLU 18 2HB GLU 18 8.396 1.920 -3.292 140 2HB GLU 18 1HB GLU 18 9.639 2.399 -4.450 141 1HG GLU 18 2HG GLU 18 9.524 4.464 -2.366 142 2HG GLU 18 1HG GLU 18 9.578 2.850 -1.582 143 H GLU 19 H GLU 19 9.518 3.742 -6.304 144 HA GLU 19 HA GLU 19 10.883 6.112 -6.111 145 1HB GLU 19 2HB GLU 19 11.434 4.151 -7.530 146 2HB GLU 19 1HB GLU 19 10.045 4.513 -8.583 147 1HG GLU 19 2HG GLU 19 11.163 6.723 -9.239 148 2HG GLU 19 1HG GLU 19 12.546 6.297 -8.166 149 H ARG 20 H ARG 20 7.844 5.548 -7.969 150 HA ARG 20 HA ARG 20 7.719 8.064 -9.088 151 1HB ARG 20 2HB ARG 20 6.368 6.148 -9.845 152 2HB ARG 20 1HB ARG 20 5.500 6.140 -8.297 153 1HG ARG 20 2HG ARG 20 4.059 7.078 -9.855 154 2HG ARG 20 1HG ARG 20 4.556 8.474 -8.877 155 1HD ARG 20 2HD ARG 20 5.707 7.713 -11.650 156 2HD ARG 20 1HD ARG 20 4.332 8.856 -11.373 157 HE ARG 20 HE ARG 20 6.529 9.783 -9.783 158 1HH1 ARG 20 1HH1 ARG 20 5.447 9.520 -13.190 159 2HH1 ARG 20 2HH1 ARG 20 6.677 10.608 -13.735 160 1HH2 ARG 20 1HH2 ARG 20 8.106 11.470 -10.720 161 2HH2 ARG 20 2HH2 ARG 20 7.743 11.964 -12.314 162 H LEU 21 H LEU 21 6.308 6.923 -5.983 163 HA LEU 21 HA LEU 21 5.167 9.531 -5.583 164 1HB LEU 21 2HB LEU 21 4.118 8.617 -3.594 165 2HB LEU 21 1HB LEU 21 3.847 7.655 -5.070 166 HG LEU 21 HG LEU 21 5.975 6.250 -4.154 167 1HD1 LEU 21 1HD1 LEU 21 4.704 7.444 -1.608 168 2HD1 LEU 21 2HD1 LEU 21 6.433 7.551 -2.110 169 3HD1 LEU 21 3HD1 LEU 21 5.717 5.952 -1.664 170 1HD2 LEU 21 1HD2 LEU 21 3.744 5.365 -4.734 171 2HD2 LEU 21 2HD2 LEU 21 3.064 5.993 -3.184 172 3HD2 LEU 21 3HD2 LEU 21 4.313 4.682 -3.167 173 H ASP 22 H ASP 22 8.066 7.880 -4.228 174 HA ASP 22 HA ASP 22 8.707 9.963 -2.538 175 1HB ASP 22 2HB ASP 22 9.739 7.631 -2.830 176 2HB ASP 22 1HB ASP 22 10.628 8.271 -4.238 177 H ASP 23 H ASP 23 9.055 9.719 -6.049 178 HA ASP 23 HA ASP 23 10.641 11.993 -6.384 179 1HB ASP 23 2HB ASP 23 10.376 10.008 -7.931 180 2HB ASP 23 1HB ASP 23 8.721 10.565 -8.322 181 H TRP 24 H TRP 24 7.097 11.590 -6.871 182 HA TRP 24 HA TRP 24 6.827 14.247 -7.758 183 1HB TRP 24 2HB TRP 24 5.457 12.158 -8.329 184 2HB TRP 24 1HB TRP 24 4.646 12.353 -6.757 185 HD1 TRP 24 HD TRP 24 2.767 14.411 -6.692 186 HE1 TRP 24 1HE TRP 24 1.555 15.626 -8.603 187 HE3 TRP 24 3HE TRP 24 5.824 13.068 -10.505 188 HZ2 TRP 24 2HZ TRP 24 1.834 15.876 -11.404 189 HZ3 TRP 24 3HZ TRP 24 5.230 13.721 -12.788 190 HH2 TRP 24 HH TRP 24 3.270 15.099 -13.231 191 H ASP 25 H ASP 25 6.154 16.131 -6.726 192 HA ASP 25 HA ASP 25 6.070 16.001 -3.848 193 1HB ASP 25 2HB ASP 25 5.867 18.406 -5.726 194 2HB ASP 25 1HB ASP 25 6.050 18.463 -3.927 195 H GLY 26 H GLY 26 4.109 18.484 -4.007 196 1HA GLY 26 2HA GLY 26 1.625 17.604 -4.672 197 2HA GLY 26 1HA GLY 26 2.008 16.794 -3.112 198 H ASP 27 H ASP 27 0.029 17.904 -2.525 199 HA ASP 27 HA ASP 27 0.401 20.659 -1.651 200 1HB ASP 27 2HB ASP 27 -1.832 19.894 -2.536 201 2HB ASP 27 1HB ASP 27 -1.894 18.613 -1.283 202 H SER 28 H SER 28 -0.137 17.402 -0.473 203 HA SER 28 HA SER 28 0.574 18.065 2.254 204 1HB SER 28 2HB SER 28 -1.340 16.491 1.475 205 2HB SER 28 1HB SER 28 -0.070 15.295 1.112 206 HG SER 28 HG SER 28 -1.104 16.189 3.494 207 H ASP 29 H ASP 29 1.974 15.987 3.177 208 HA ASP 29 HA ASP 29 4.462 16.055 1.605 209 1HB ASP 29 2HB ASP 29 4.352 16.944 4.047 210 2HB ASP 29 1HB ASP 29 4.185 15.222 4.537 211 H ILE 30 H ILE 30 5.751 13.837 2.255 212 HA ILE 30 HA ILE 30 4.052 11.570 2.012 213 HB ILE 30 HB ILE 30 4.012 12.375 -0.265 214 1HG1 ILE 30 2HG1 ILE 30 4.952 10.406 -1.435 215 2HG1 ILE 30 1HG1 ILE 30 5.767 9.873 0.055 216 1HG2 ILE 30 1HG2 ILE 30 6.134 13.704 -0.268 217 2HG2 ILE 30 2HG2 ILE 30 6.025 12.560 -1.650 218 3HG2 ILE 30 3HG2 ILE 30 7.086 12.166 -0.266 219 1HD1 ILE 30 1HD1 ILE 30 3.540 8.710 -0.395 220 2HD1 ILE 30 2HD1 ILE 30 2.704 10.292 -0.229 221 3HD1 ILE 30 3HD1 ILE 30 3.551 9.563 1.185 222 H ASP 31 H ASP 31 4.931 10.135 3.177 223 HA ASP 31 HA ASP 31 7.789 9.630 2.842 224 1HB ASP 31 2HB ASP 31 7.409 10.672 5.125 225 2HB ASP 31 1HB ASP 31 6.387 9.251 5.548 226 H CYS 32 H CYS 32 8.008 7.775 1.733 227 HA CYS 32 HA CYS 32 6.023 5.740 1.896 228 1HB CYS 32 2HB CYS 32 7.198 4.936 -0.043 229 2HB CYS 32 1HB CYS 32 7.144 6.684 -0.091 230 HG CYS 32 HG CYS 32 9.526 7.207 0.495 231 H GLU 33 H GLU 33 6.058 3.977 3.104 232 HA GLU 33 HA GLU 33 8.433 3.362 4.720 233 1HB GLU 33 2HB GLU 33 5.531 2.463 4.788 234 2HB GLU 33 1HB GLU 33 6.769 1.650 5.760 235 1HG GLU 33 2HG GLU 33 6.313 4.684 6.019 236 2HG GLU 33 1HG GLU 33 5.288 3.497 6.891 237 H ILE 34 H ILE 34 9.619 1.439 4.391 238 HA ILE 34 HA ILE 34 8.589 -0.458 2.491 239 HB ILE 34 HB ILE 34 10.111 0.771 1.278 240 1HG1 ILE 34 2HG1 ILE 34 12.103 -0.758 1.005 241 2HG1 ILE 34 1HG1 ILE 34 11.602 -1.610 2.496 242 1HG2 ILE 34 1HG2 ILE 34 11.180 2.161 3.018 243 2HG2 ILE 34 2HG2 ILE 34 12.433 1.324 2.056 244 3HG2 ILE 34 3HG2 ILE 34 12.039 0.718 3.694 245 1HD1 ILE 34 1HD1 ILE 34 9.455 -2.328 1.343 246 2HD1 ILE 34 2HD1 ILE 34 10.895 -2.803 0.372 247 3HD1 ILE 34 3HD1 ILE 34 9.927 -1.370 -0.110 248 H ASN 35 H ASN 35 8.204 -2.119 3.496 249 HA ASN 35 HA ASN 35 10.004 -3.073 5.620 250 1HB ASN 35 2HB ASN 35 7.527 -2.098 6.226 251 2HB ASN 35 1HB ASN 35 7.068 -3.796 5.863 252 1HD2 ASN 35 1HD2 ASN 35 7.912 -1.768 8.354 253 2HD2 ASN 35 2HD2 ASN 35 8.593 -2.941 9.452 254 H GLY 36 H GLY 36 9.254 -5.585 5.975 255 1HA GLY 36 2HA GLY 36 10.437 -6.674 3.694 256 2HA GLY 36 1HA GLY 36 9.799 -7.544 5.121 257 H GLY 37 H GLY 37 9.130 -6.406 1.886 258 1HA GLY 37 2HA GLY 37 7.765 -7.201 0.316 259 2HA GLY 37 1HA GLY 37 7.051 -8.365 1.484 260 H VAL 38 H VAL 38 7.300 -4.954 2.287 261 HA VAL 38 HA VAL 38 4.429 -4.614 1.784 262 HB VAL 38 HB VAL 38 5.899 -4.021 4.364 263 1HG1 VAL 38 1HG1 VAL 38 4.063 -2.381 3.979 264 2HG1 VAL 38 2HG1 VAL 38 3.609 -3.536 5.269 265 3HG1 VAL 38 3HG1 VAL 38 2.911 -3.731 3.620 266 1HG2 VAL 38 1HG2 VAL 38 4.363 -5.783 5.359 267 2HG2 VAL 38 2HG2 VAL 38 5.585 -6.451 4.228 268 3HG2 VAL 38 3HG2 VAL 38 3.872 -6.241 3.690 269 H LEU 39 H LEU 39 3.910 -2.554 1.047 270 HA LEU 39 HA LEU 39 5.807 -0.428 1.645 271 1HB LEU 39 2HB LEU 39 4.146 -0.959 -0.861 272 2HB LEU 39 1HB LEU 39 4.629 0.696 -0.428 273 HG LEU 39 HG LEU 39 6.541 -1.638 -0.937 274 1HD1 LEU 39 1HD1 LEU 39 5.840 0.833 -2.691 275 2HD1 LEU 39 2HD1 LEU 39 5.391 -0.882 -3.010 276 3HD1 LEU 39 3HD1 LEU 39 7.124 -0.388 -3.038 277 1HD2 LEU 39 1HD2 LEU 39 8.337 0.171 -1.047 278 2HD2 LEU 39 2HD2 LEU 39 7.690 -0.185 0.585 279 3HD2 LEU 39 3HD2 LEU 39 7.167 1.304 -0.269 280 H THR 40 H THR 40 4.967 1.382 2.468 281 HA THR 40 HA THR 40 2.060 1.559 2.638 282 HB THR 40 HB THR 40 3.467 2.274 5.189 283 HG1 THR 40 1HG THR 40 2.935 -0.324 4.268 284 1HG2 THR 40 1HG2 THR 40 0.814 0.837 4.477 285 2HG2 THR 40 2HG2 THR 40 0.961 2.619 4.737 286 3HG2 THR 40 3HG2 THR 40 1.287 1.468 6.090 287 H ILE 41 H ILE 41 1.474 3.303 1.781 288 HA ILE 41 HA ILE 41 3.502 5.335 1.314 289 HB ILE 41 HB ILE 41 0.773 4.715 0.151 290 1HG1 ILE 41 2HG1 ILE 41 3.518 4.313 -1.129 291 2HG1 ILE 41 1HG1 ILE 41 2.683 3.013 -0.252 292 1HG2 ILE 41 1HG2 ILE 41 1.320 7.169 -0.073 293 2HG2 ILE 41 2HG2 ILE 41 1.377 6.342 -1.655 294 3HG2 ILE 41 3HG2 ILE 41 2.915 6.724 -0.801 295 1HD1 ILE 41 1HD1 ILE 41 0.751 3.068 -1.797 296 2HD1 ILE 41 2HD1 ILE 41 2.295 2.814 -2.681 297 3HD1 ILE 41 3HD1 ILE 41 1.500 4.424 -2.717 298 H THR 42 H THR 42 3.525 6.962 2.887 299 HA THR 42 HA THR 42 0.947 7.439 4.214 300 HB THR 42 HB THR 42 3.688 7.764 5.430 301 HG1 THR 42 1HG THR 42 3.398 5.637 4.929 302 1HG2 THR 42 1HG2 THR 42 2.340 7.567 7.542 303 2HG2 THR 42 2HG2 THR 42 0.816 7.474 6.581 304 3HG2 THR 42 3HG2 THR 42 1.811 8.982 6.584 305 H PHE 43 H PHE 43 0.142 9.433 4.371 306 HA PHE 43 HA PHE 43 1.762 11.628 3.365 307 1HB PHE 43 2HB PHE 43 -1.166 11.979 4.030 308 2HB PHE 43 1HB PHE 43 -0.171 12.709 2.723 309 HD1 PHE 43 1HD PHE 43 -2.470 10.198 3.651 310 HD2 PHE 43 2HD PHE 43 0.568 11.099 0.823 311 HE1 PHE 43 1HE PHE 43 -3.226 8.331 2.246 312 HE2 PHE 43 2HE PHE 43 -0.239 9.298 -0.621 313 HZ PHE 43 HZ PHE 43 -2.149 7.881 0.129 314 H GLU 44 H GLU 44 1.174 13.914 4.508 315 HA GLU 44 HA GLU 44 2.033 13.663 7.124 316 1HB GLU 44 2HB GLU 44 2.627 15.795 6.653 317 2HB GLU 44 1HB GLU 44 2.159 15.350 5.027 318 1HG GLU 44 2HG GLU 44 0.983 17.160 4.974 319 2HG GLU 44 1HG GLU 44 -0.314 16.251 5.783 320 H ASN 45 H ASN 45 -1.035 13.725 5.678 321 HA ASN 45 HA ASN 45 -2.660 14.472 7.851 322 1HB ASN 45 2HB ASN 45 -3.332 14.441 5.451 323 2HB ASN 45 1HB ASN 45 -3.059 12.673 5.381 324 1HD2 ASN 45 1HD2 ASN 45 -5.257 15.224 6.664 325 2HD2 ASN 45 2HD2 ASN 45 -6.472 14.123 7.227 326 H GLY 46 H GLY 46 -0.772 11.577 7.357 327 1HA GLY 46 2HA GLY 46 -0.476 9.969 8.886 328 2HA GLY 46 1HA GLY 46 -1.980 10.445 9.737 329 H SER 47 H SER 47 -3.157 10.323 6.830 330 HA SER 47 HA SER 47 -3.938 7.553 6.931 331 1HB SER 47 2HB SER 47 -4.632 9.905 5.109 332 2HB SER 47 1HB SER 47 -5.146 8.229 4.726 333 HG SER 47 HG SER 47 -5.785 9.722 7.053 334 H LYS 48 H LYS 48 -3.932 6.299 4.656 335 HA LYS 48 HA LYS 48 -1.460 6.493 3.371 336 1HB LYS 48 2HB LYS 48 -0.286 4.617 4.535 337 2HB LYS 48 1HB LYS 48 -0.573 5.995 5.616 338 1HG LYS 48 2HG LYS 48 -2.714 4.755 6.456 339 2HG LYS 48 1HG LYS 48 -2.121 3.358 5.517 340 1HD LYS 48 2HD LYS 48 -1.318 2.939 7.688 341 2HD LYS 48 1HD LYS 48 0.116 3.660 6.881 342 1HE LYS 48 2HE LYS 48 -0.554 5.917 7.937 343 2HE LYS 48 1HE LYS 48 -1.893 5.059 8.795 344 1HZ LYS 48 1HZ LYS 48 -0.072 5.189 10.233 345 2HZ LYS 48 2HZ LYS 48 1.030 4.672 9.058 346 3HZ LYS 48 3HZ LYS 48 -0.051 3.567 9.717 347 H ILE 49 H ILE 49 -0.935 4.714 2.061 348 HA ILE 49 HA ILE 49 -3.183 2.940 1.417 349 HB ILE 49 HB ILE 49 -0.629 3.142 -0.172 350 1HG1 ILE 49 2HG1 ILE 49 -1.255 5.420 0.028 351 2HG1 ILE 49 1HG1 ILE 49 -1.496 4.814 -1.633 352 1HG2 ILE 49 1HG2 ILE 49 -2.159 2.466 -2.029 353 2HG2 ILE 49 2HG2 ILE 49 -3.539 2.403 -0.876 354 3HG2 ILE 49 3HG2 ILE 49 -2.158 1.265 -0.697 355 1HD1 ILE 49 1HD1 ILE 49 -3.384 6.312 -1.017 356 2HD1 ILE 49 2HD1 ILE 49 -3.774 5.282 0.402 357 3HD1 ILE 49 3HD1 ILE 49 -3.977 4.640 -1.274 358 H ILE 50 H ILE 50 -2.925 0.760 1.659 359 HA ILE 50 HA ILE 50 -0.444 -0.162 2.951 360 HB ILE 50 HB ILE 50 -3.124 -1.511 2.913 361 1HG1 ILE 50 2HG1 ILE 50 -3.595 0.641 3.975 362 2HG1 ILE 50 1HG1 ILE 50 -3.611 -0.694 5.155 363 1HG2 ILE 50 1HG2 ILE 50 -1.247 -2.985 3.501 364 2HG2 ILE 50 2HG2 ILE 50 -2.263 -2.639 4.946 365 3HG2 ILE 50 3HG2 ILE 50 -0.674 -1.808 4.755 366 1HD1 ILE 50 1HD1 ILE 50 -1.347 1.365 4.799 367 2HD1 ILE 50 2HD1 ILE 50 -1.280 -0.038 5.936 368 3HD1 ILE 50 3HD1 ILE 50 -2.509 1.249 6.163 369 H ILE 51 H ILE 51 0.820 -1.273 1.547 370 HA ILE 51 HA ILE 51 -0.474 -3.127 -0.351 371 HB ILE 51 HB ILE 51 2.110 -1.651 -0.817 372 1HG1 ILE 51 2HG1 ILE 51 -0.810 -1.043 -1.375 373 2HG1 ILE 51 1HG1 ILE 51 0.450 0.022 -0.771 374 1HG2 ILE 51 1HG2 ILE 51 1.882 -3.905 -1.941 375 2HG2 ILE 51 2HG2 ILE 51 1.762 -2.578 -3.121 376 3HG2 ILE 51 3HG2 ILE 51 0.261 -3.412 -2.575 377 1HD1 ILE 51 1HD1 ILE 51 -0.077 0.646 -3.127 378 2HD1 ILE 51 2HD1 ILE 51 0.130 -1.062 -3.660 379 3HD1 ILE 51 3HD1 ILE 51 1.566 -0.111 -3.125 380 H ASN 52 H ASN 52 -0.004 -5.147 -0.200 381 HA ASN 52 HA ASN 52 2.397 -6.214 0.798 382 1HB ASN 52 2HB ASN 52 1.569 -5.524 2.948 383 2HB ASN 52 1HB ASN 52 -0.094 -6.100 2.600 384 1HD2 ASN 52 1HD2 ASN 52 -0.286 -7.601 4.291 385 2HD2 ASN 52 2HD2 ASN 52 0.837 -8.914 4.570 386 H ARG 53 H ARG 53 1.830 -8.727 0.991 387 HA ARG 53 HA ARG 53 0.287 -9.290 -1.445 388 1HB ARG 53 2HB ARG 53 2.550 -10.533 -2.002 389 2HB ARG 53 1HB ARG 53 2.313 -8.745 -2.294 390 1HG ARG 53 2HG ARG 53 3.590 -8.158 -0.362 391 2HG ARG 53 1HG ARG 53 3.676 -9.837 0.240 392 1HD ARG 53 2HD ARG 53 4.894 -9.060 -2.497 393 2HD ARG 53 1HD ARG 53 5.716 -8.643 -0.940 394 HE ARG 53 HE ARG 53 4.808 -11.458 -1.083 395 1HH1 ARG 53 1HH1 ARG 53 7.530 -9.256 -1.884 396 2HH1 ARG 53 2HH1 ARG 53 8.730 -10.441 -1.553 397 1HH2 ARG 53 1HH2 ARG 53 6.480 -12.910 -0.406 398 2HH2 ARG 53 2HH2 ARG 53 8.128 -12.421 -0.529 399 H GLN 54 H GLN 54 -0.175 -11.449 -1.963 400 HA GLN 54 HA GLN 54 -0.709 -12.921 0.482 401 1HB GLN 54 2HB GLN 54 -2.004 -12.552 -2.268 402 2HB GLN 54 1HB GLN 54 -2.601 -13.758 -1.085 403 1HG GLN 54 2HG GLN 54 -2.427 -10.742 -0.432 404 2HG GLN 54 1HG GLN 54 -3.812 -11.488 -1.294 405 1HE2 GLN 54 1HE2 GLN 54 -5.474 -11.899 0.020 406 2HE2 GLN 54 2HE2 GLN 54 -5.369 -12.282 1.714 407 H GLU 55 H GLU 55 -1.335 -14.461 -2.509 408 HA GLU 55 HA GLU 55 0.309 -16.552 -1.654 409 1HB GLU 55 2HB GLU 55 -1.174 -16.319 -4.318 410 2HB GLU 55 1HB GLU 55 -0.615 -17.826 -3.543 411 1HG GLU 55 2HG GLU 55 -2.833 -15.948 -2.492 412 2HG GLU 55 1HG GLU 55 -3.070 -17.480 -3.389 413 HA PRO 56 HA PRO 56 3.500 -15.737 -4.786 414 1HB PRO 56 2HB PRO 56 5.166 -17.864 -4.337 415 2HB PRO 56 1HB PRO 56 5.068 -16.460 -3.221 416 1HG PRO 56 2HG PRO 56 3.606 -19.144 -2.930 417 2HG PRO 56 1HG PRO 56 4.601 -18.270 -1.687 418 1HD PRO 56 2HD PRO 56 1.820 -18.058 -1.869 419 2HD PRO 56 1HD PRO 56 2.854 -16.657 -1.321 420 H LEU 57 H LEU 57 1.294 -16.250 -5.775 421 HA LEU 57 HA LEU 57 1.895 -18.205 -7.885 422 1HB LEU 57 2HB LEU 57 -0.914 -17.264 -7.010 423 2HB LEU 57 1HB LEU 57 -0.545 -18.282 -8.458 424 HG LEU 57 HG LEU 57 0.038 -18.895 -5.555 425 1HD1 LEU 57 1HD1 LEU 57 -1.943 -20.459 -5.619 426 2HD1 LEU 57 2HD1 LEU 57 -2.278 -19.949 -7.316 427 3HD1 LEU 57 3HD1 LEU 57 -2.425 -18.758 -5.966 428 1HD2 LEU 57 1HD2 LEU 57 1.536 -20.234 -7.026 429 2HD2 LEU 57 2HD2 LEU 57 0.124 -20.772 -8.026 430 3HD2 LEU 57 3HD2 LEU 57 0.291 -21.314 -6.316 431 H HIS 58 H HIS 58 -0.679 -16.102 -8.157 432 HA HIS 58 HA HIS 58 0.914 -13.687 -8.644 433 1HB HIS 58 2HB HIS 58 -1.475 -14.569 -10.373 434 2HB HIS 58 1HB HIS 58 -0.797 -12.909 -10.365 435 HD1 HIS 58 1HD HIS 58 -0.842 -13.748 -12.990 436 HD2 HIS 58 2HD HIS 58 2.216 -15.310 -10.567 437 HE1 HIS 58 1HE HIS 58 0.990 -14.535 -14.512 438 H GLN 59 H GLN 59 0.178 -13.117 -6.332 439 HA GLN 59 HA GLN 59 -2.397 -11.870 -6.568 440 1HB GLN 59 2HB GLN 59 -2.681 -14.344 -5.702 441 2HB GLN 59 1HB GLN 59 -1.982 -13.655 -4.194 442 1HG GLN 59 2HG GLN 59 -3.892 -12.095 -3.950 443 2HG GLN 59 1HG GLN 59 -4.565 -12.606 -5.540 444 1HE2 GLN 59 1HE2 GLN 59 -5.424 -14.754 -5.759 445 2HE2 GLN 59 2HE2 GLN 59 -5.785 -15.748 -4.362 446 H VAL 60 H VAL 60 -2.295 -10.019 -5.761 447 HA VAL 60 HA VAL 60 -0.747 -9.406 -3.349 448 HB VAL 60 HB VAL 60 -0.631 -7.894 -5.969 449 1HG1 VAL 60 1HG1 VAL 60 -0.610 -6.201 -4.110 450 2HG1 VAL 60 2HG1 VAL 60 1.020 -6.395 -4.815 451 3HG1 VAL 60 3HG1 VAL 60 0.646 -7.170 -3.236 452 1HG2 VAL 60 1HG2 VAL 60 1.377 -9.505 -4.264 453 2HG2 VAL 60 2HG2 VAL 60 1.879 -8.384 -5.590 454 3HG2 VAL 60 3HG2 VAL 60 0.867 -9.828 -5.960 455 H TRP 61 H TRP 61 -1.454 -7.337 -2.302 456 HA TRP 61 HA TRP 61 -4.333 -7.047 -2.554 457 1HB TRP 61 2HB TRP 61 -4.452 -7.773 -0.462 458 2HB TRP 61 1HB TRP 61 -2.697 -8.024 -0.445 459 HD1 TRP 61 HD TRP 61 -1.579 -5.203 -0.095 460 HE1 TRP 61 1HE TRP 61 -2.292 -3.586 1.747 461 HE3 TRP 61 3HE TRP 61 -5.693 -7.634 1.527 462 HZ2 TRP 61 2HZ TRP 61 -4.013 -3.721 4.074 463 HZ3 TRP 61 3HZ TRP 61 -6.818 -6.871 3.561 464 HH2 TRP 61 HH TRP 61 -5.992 -4.950 4.806 465 H LEU 62 H LEU 62 -5.219 -4.744 -2.165 466 HA LEU 62 HA LEU 62 -3.307 -3.196 -0.976 467 1HB LEU 62 2HB LEU 62 -2.972 -1.342 -2.231 468 2HB LEU 62 1HB LEU 62 -2.646 -2.731 -3.314 469 HG LEU 62 HG LEU 62 -5.300 -1.206 -3.396 470 1HD1 LEU 62 1HD1 LEU 62 -3.461 0.433 -3.754 471 2HD1 LEU 62 2HD1 LEU 62 -4.232 0.075 -5.339 472 3HD1 LEU 62 3HD1 LEU 62 -2.656 -0.678 -4.920 473 1HD2 LEU 62 1HD2 LEU 62 -5.310 -2.115 -5.754 474 2HD2 LEU 62 2HD2 LEU 62 -5.316 -3.418 -4.499 475 3HD2 LEU 62 3HD2 LEU 62 -3.784 -3.013 -5.379 476 H ALA 63 H ALA 63 -4.013 -1.883 0.348 477 HA ALA 63 HA ALA 63 -6.906 -1.328 0.423 478 1HB ALA 63 1HB ALA 63 -6.892 -1.497 2.865 479 2HB ALA 63 2HB ALA 63 -5.120 -1.834 2.855 480 3HB ALA 63 3HB ALA 63 -6.275 -3.007 2.117 481 H THR 64 H THR 64 -7.656 0.466 1.422 482 HA THR 64 HA THR 64 -6.043 2.740 1.837 483 HB THR 64 HB THR 64 -5.756 2.614 -0.531 484 HG1 THR 64 1HG THR 64 -5.837 4.698 0.307 485 1HG2 THR 64 1HG2 THR 64 -8.823 2.937 -0.756 486 2HG2 THR 64 2HG2 THR 64 -7.886 1.440 -1.134 487 3HG2 THR 64 3HG2 THR 64 -7.628 2.929 -2.094 488 H LYS 65 H LYS 65 -8.159 4.530 0.883 489 HA LYS 65 HA LYS 65 -9.399 5.018 3.268 490 1HB LYS 65 2HB LYS 65 -8.829 6.452 1.129 491 2HB LYS 65 1HB LYS 65 -10.521 6.162 0.689 492 1HG LYS 65 2HG LYS 65 -9.477 7.393 3.322 493 2HG LYS 65 1HG LYS 65 -10.065 8.299 1.898 494 1HD LYS 65 2HD LYS 65 -12.329 7.204 2.198 495 2HD LYS 65 1HD LYS 65 -11.763 6.516 3.746 496 1HE LYS 65 2HE LYS 65 -11.812 9.531 3.053 497 2HE LYS 65 1HE LYS 65 -13.087 8.668 3.996 498 1HZ LYS 65 1HZ LYS 65 -11.529 9.761 5.447 499 2HZ LYS 65 2HZ LYS 65 -10.219 8.947 4.774 500 3HZ LYS 65 3HZ LYS 65 -11.418 8.101 5.638 501 H GLN 66 H GLN 66 -10.934 3.807 0.237 502 HA GLN 66 HA GLN 66 -13.462 3.542 1.552 503 1HB GLN 66 2HB GLN 66 -12.929 4.263 -0.881 504 2HB GLN 66 1HB GLN 66 -12.646 2.536 -1.209 505 1HG GLN 66 2HG GLN 66 -15.084 2.144 -0.330 506 2HG GLN 66 1HG GLN 66 -15.248 3.930 -0.281 507 1HE2 GLN 66 1HE2 GLN 66 -16.112 4.795 -2.172 508 2HE2 GLN 66 2HE2 GLN 66 -15.988 4.049 -3.751 509 H GLY 67 H GLY 67 -10.775 1.787 1.841 510 1HA GLY 67 2HA GLY 67 -10.870 -0.237 3.075 511 2HA GLY 67 1HA GLY 67 -12.147 -0.832 1.942 512 H GLY 68 H GLY 68 -11.496 -0.720 -0.388 513 1HA GLY 68 2HA GLY 68 -9.850 -0.919 -2.019 514 2HA GLY 68 1HA GLY 68 -8.670 -1.471 -0.779 515 H TYR 69 H TYR 69 -8.285 -3.139 -2.497 516 HA TYR 69 HA TYR 69 -9.717 -5.496 -1.987 517 1HB TYR 69 2HB TYR 69 -11.010 -3.878 -3.891 518 2HB TYR 69 1HB TYR 69 -9.985 -4.910 -4.933 519 HD1 TYR 69 1HD TYR 69 -10.312 -7.354 -4.866 520 HD2 TYR 69 2HD TYR 69 -12.783 -4.753 -2.594 521 HE1 TYR 69 1HE TYR 69 -11.924 -9.170 -4.532 522 HE2 TYR 69 2HE TYR 69 -14.403 -6.554 -2.277 523 HH TYR 69 HH TYR 69 -14.944 -8.723 -2.756 524 H HIS 70 H HIS 70 -8.768 -7.295 -3.441 525 HA HIS 70 HA HIS 70 -5.994 -6.707 -3.767 526 1HB HIS 70 2HB HIS 70 -5.773 -9.144 -4.419 527 2HB HIS 70 1HB HIS 70 -6.351 -8.709 -2.785 528 HD1 HIS 70 1HD HIS 70 -7.694 -9.861 -6.230 529 HD2 HIS 70 2HD HIS 70 -8.807 -9.969 -2.177 530 HE1 HIS 70 1HE HIS 70 -9.859 -11.105 -6.089 531 H PHE 71 H PHE 71 -4.747 -7.565 -5.498 532 HA PHE 71 HA PHE 71 -5.442 -5.814 -7.728 533 1HB PHE 71 2HB PHE 71 -3.810 -5.227 -5.815 534 2HB PHE 71 1HB PHE 71 -2.881 -6.693 -6.182 535 HD1 PHE 71 1HD PHE 71 -4.077 -3.514 -7.667 536 HD2 PHE 71 2HD PHE 71 -1.046 -6.487 -7.602 537 HE1 PHE 71 1HE PHE 71 -2.670 -2.098 -9.081 538 HE2 PHE 71 2HE PHE 71 0.378 -5.077 -9.001 539 HZ PHE 71 HZ PHE 71 -0.409 -2.891 -9.747 540 H ASP 72 H ASP 72 -5.763 -7.005 -9.616 541 HA ASP 72 HA ASP 72 -4.051 -9.334 -10.003 542 1HB ASP 72 2HB ASP 72 -7.098 -9.395 -10.370 543 2HB ASP 72 1HB ASP 72 -5.919 -10.700 -10.767 544 H LEU 73 H LEU 73 -3.952 -10.123 -12.196 545 HA LEU 73 HA LEU 73 -3.516 -7.693 -13.796 546 1HB LEU 73 2HB LEU 73 -1.663 -9.112 -13.079 547 2HB LEU 73 1HB LEU 73 -2.323 -10.480 -14.010 548 HG LEU 73 HG LEU 73 -1.844 -7.832 -15.446 549 1HD1 LEU 73 1HD1 LEU 73 0.566 -8.388 -15.779 550 2HD1 LEU 73 2HD1 LEU 73 0.411 -9.772 -14.636 551 3HD1 LEU 73 3HD1 LEU 73 0.193 -8.083 -14.040 552 1HD2 LEU 73 1HD2 LEU 73 -1.255 -10.760 -16.239 553 2HD2 LEU 73 2HD2 LEU 73 -1.186 -9.328 -17.321 554 3HD2 LEU 73 3HD2 LEU 73 -2.773 -9.893 -16.681 555 H LYS 74 H LYS 74 -4.509 -7.204 -15.643 556 HA LYS 74 HA LYS 74 -6.246 -9.220 -16.850 557 1HB LYS 74 2HB LYS 74 -7.242 -7.115 -16.112 558 2HB LYS 74 1HB LYS 74 -6.050 -6.158 -17.039 559 1HG LYS 74 2HG LYS 74 -6.945 -7.043 -19.147 560 2HG LYS 74 1HG LYS 74 -8.043 -8.166 -18.258 561 1HD LYS 74 2HD LYS 74 -9.011 -6.044 -17.097 562 2HD LYS 74 1HD LYS 74 -8.194 -5.091 -18.367 563 1HE LYS 74 2HE LYS 74 -10.391 -7.255 -18.743 564 2HE LYS 74 1HE LYS 74 -10.583 -5.466 -18.911 565 1HZ LYS 74 1HZ LYS 74 -9.131 -7.352 -20.677 566 2HZ LYS 74 2HZ LYS 74 -8.780 -5.696 -20.683 567 3HZ LYS 74 3HZ LYS 74 -10.352 -6.226 -21.032 568 H GLY 75 H GLY 75 -3.898 -6.654 -17.747 569 1HA GLY 75 2HA GLY 75 -2.528 -8.515 -19.448 570 2HA GLY 75 1HA GLY 75 -3.421 -7.205 -20.319 571 H ASP 76 H ASP 76 -2.513 -5.163 -20.369 572 HA ASP 76 HA ASP 76 0.195 -4.922 -19.411 573 1HB ASP 76 2HB ASP 76 -1.604 -2.881 -20.848 574 2HB ASP 76 1HB ASP 76 0.188 -2.840 -20.724 575 H GLU 77 H GLU 77 -2.263 -4.900 -17.454 576 HA GLU 77 HA GLU 77 -1.834 -2.512 -15.974 577 1HB GLU 77 2HB GLU 77 -3.054 -1.683 -18.053 578 2HB GLU 77 1HB GLU 77 -4.402 -2.765 -17.635 579 1HG GLU 77 2HG GLU 77 -4.811 -1.471 -15.541 580 2HG GLU 77 1HG GLU 77 -3.319 -0.489 -15.828 581 H TRP 78 H TRP 78 -2.434 -3.022 -13.988 582 HA TRP 78 HA TRP 78 -3.740 -5.597 -13.572 583 1HB TRP 78 2HB TRP 78 -2.409 -3.621 -11.642 584 2HB TRP 78 1HB TRP 78 -3.222 -5.140 -11.154 585 HD1 TRP 78 HD TRP 78 -0.157 -4.052 -13.419 586 HE1 TRP 78 1HE TRP 78 1.721 -5.737 -12.947 587 HE3 TRP 78 3HE TRP 78 -2.671 -7.126 -10.290 588 HZ2 TRP 78 2HZ TRP 78 2.080 -8.043 -11.357 589 HZ3 TRP 78 3HZ TRP 78 -1.493 -9.025 -9.271 590 HH2 TRP 78 HH TRP 78 0.831 -9.454 -9.752 591 H ILE 79 H ILE 79 -5.785 -5.752 -12.507 592 HA ILE 79 HA ILE 79 -7.303 -3.252 -12.455 593 HB ILE 79 HB ILE 79 -9.269 -4.526 -12.629 594 1HG1 ILE 79 2HG1 ILE 79 -7.490 -7.008 -12.452 595 2HG1 ILE 79 1HG1 ILE 79 -8.783 -6.518 -11.333 596 1HG2 ILE 79 1HG2 ILE 79 -7.964 -3.853 -14.671 597 2HG2 ILE 79 2HG2 ILE 79 -8.980 -5.303 -14.945 598 3HG2 ILE 79 3HG2 ILE 79 -7.201 -5.487 -14.713 599 1HD1 ILE 79 1HD1 ILE 79 -9.621 -8.323 -12.733 600 2HD1 ILE 79 2HD1 ILE 79 -9.153 -7.472 -14.242 601 3HD1 ILE 79 3HD1 ILE 79 -10.481 -6.816 -13.214 602 H CYS 80 H CYS 80 -8.863 -3.195 -10.551 603 HA CYS 80 HA CYS 80 -7.790 -4.731 -8.351 604 1HB CYS 80 2HB CYS 80 -9.727 -2.441 -8.464 605 2HB CYS 80 1HB CYS 80 -10.057 -3.642 -7.214 606 HG CYS 80 HG CYS 80 -8.717 -1.601 -6.176 607 H ASP 81 H ASP 81 -9.008 -6.676 -7.718 608 HA ASP 81 HA ASP 81 -10.530 -7.838 -9.655 609 1HB ASP 81 2HB ASP 81 -9.124 -8.926 -7.929 610 2HB ASP 81 1HB ASP 81 -10.321 -8.486 -6.666 611 H ARG 82 H ARG 82 -11.641 -6.168 -6.820 612 HA ARG 82 HA ARG 82 -13.921 -6.415 -6.110 613 1HB ARG 82 2HB ARG 82 -12.397 -4.415 -6.043 614 2HB ARG 82 1HB ARG 82 -13.262 -3.739 -7.429 615 1HG ARG 82 2HG ARG 82 -14.608 -4.521 -4.739 616 2HG ARG 82 1HG ARG 82 -13.782 -2.978 -5.051 617 1HD ARG 82 2HD ARG 82 -15.440 -2.722 -7.104 618 2HD ARG 82 1HD ARG 82 -16.413 -3.987 -6.280 619 HE ARG 82 HE ARG 82 -16.757 -2.451 -4.409 620 1HH1 ARG 82 1HH1 ARG 82 -14.857 -0.728 -6.863 621 2HH1 ARG 82 2HH1 ARG 82 -14.287 0.447 -5.723 622 1HH2 ARG 82 1HH2 ARG 82 -16.452 -0.743 -3.189 623 2HH2 ARG 82 2HH2 ARG 82 -15.390 0.580 -3.623 624 H SER 83 H SER 83 -14.555 -4.196 -8.898 625 HA SER 83 HA SER 83 -16.294 -6.305 -9.971 626 1HB SER 83 2HB SER 83 -16.351 -3.272 -10.411 627 2HB SER 83 1HB SER 83 -17.310 -4.466 -11.347 628 HG SER 83 HG SER 83 -18.500 -3.601 -9.680 629 H GLY 84 H GLY 84 -13.275 -4.727 -10.247 630 1HA GLY 84 2HA GLY 84 -11.819 -5.500 -11.966 631 2HA GLY 84 1HA GLY 84 -13.160 -5.282 -13.146 632 H GLU 85 H GLU 85 -11.049 -3.608 -10.883 633 HA GLU 85 HA GLU 85 -11.823 -1.076 -12.186 634 1HB GLU 85 2HB GLU 85 -10.212 -0.945 -9.667 635 2HB GLU 85 1HB GLU 85 -11.395 0.183 -10.371 636 1HG GLU 85 2HG GLU 85 -11.971 -2.474 -8.918 637 2HG GLU 85 1HG GLU 85 -12.139 -0.818 -8.252 638 H THR 86 H THR 86 -9.034 -0.167 -10.827 639 HA THR 86 HA THR 86 -7.342 -1.199 -12.918 640 HB THR 86 HB THR 86 -8.124 1.768 -12.651 641 HG1 THR 86 1HG THR 86 -9.098 1.620 -14.543 642 1HG2 THR 86 1HG2 THR 86 -6.765 2.055 -14.811 643 2HG2 THR 86 2HG2 THR 86 -6.259 0.338 -14.681 644 3HG2 THR 86 3HG2 THR 86 -5.723 1.543 -13.447 645 H PHE 87 H PHE 87 -5.266 -1.255 -12.245 646 HA PHE 87 HA PHE 87 -4.143 -0.576 -10.020 647 1HB PHE 87 2HB PHE 87 -3.201 -1.787 -11.929 648 2HB PHE 87 1HB PHE 87 -3.004 -0.283 -12.860 649 HD1 PHE 87 1HD PHE 87 -1.960 0.310 -9.406 650 HD2 PHE 87 2HD PHE 87 -0.876 -1.544 -13.100 651 HE1 PHE 87 1HE PHE 87 0.338 0.366 -8.752 652 HE2 PHE 87 2HE PHE 87 1.457 -1.558 -12.388 653 HZ PHE 87 HZ PHE 87 2.082 -0.633 -10.210 654 H TRP 88 H TRP 88 -2.964 1.584 -12.542 655 HA TRP 88 HA TRP 88 -2.095 3.374 -10.732 656 1HB TRP 88 2HB TRP 88 -2.738 3.947 -13.681 657 2HB TRP 88 1HB TRP 88 -1.450 4.668 -12.670 658 HD1 TRP 88 HD TRP 88 -1.965 1.946 -15.187 659 HE1 TRP 88 1HE TRP 88 0.318 0.770 -15.530 660 HE3 TRP 88 3HE TRP 88 0.373 3.492 -10.960 661 HZ2 TRP 88 2HZ TRP 88 2.754 0.574 -14.185 662 HZ3 TRP 88 3HZ TRP 88 2.676 2.783 -10.548 663 HH2 TRP 88 HH TRP 88 3.856 1.353 -12.138 664 H ASP 89 H ASP 89 -5.092 3.311 -12.426 665 HA ASP 89 HA ASP 89 -5.744 6.060 -11.973 666 1HB ASP 89 2HB ASP 89 -6.415 4.740 -14.012 667 2HB ASP 89 1HB ASP 89 -7.507 3.748 -12.972 668 H LEU 90 H LEU 90 -6.830 2.953 -10.400 669 HA LEU 90 HA LEU 90 -8.645 4.420 -8.830 670 1HB LEU 90 2HB LEU 90 -8.925 2.013 -9.408 671 2HB LEU 90 1HB LEU 90 -7.522 1.618 -8.372 672 HG LEU 90 HG LEU 90 -8.627 2.562 -6.415 673 1HD1 LEU 90 1HD1 LEU 90 -10.216 4.232 -7.373 674 2HD1 LEU 90 2HD1 LEU 90 -11.176 2.995 -6.494 675 3HD1 LEU 90 3HD1 LEU 90 -11.076 2.932 -8.287 676 1HD2 LEU 90 1HD2 LEU 90 -8.830 0.134 -6.938 677 2HD2 LEU 90 2HD2 LEU 90 -10.381 0.452 -7.823 678 3HD2 LEU 90 3HD2 LEU 90 -10.280 0.738 -6.043 679 H LEU 91 H LEU 91 -5.474 3.043 -8.418 680 HA LEU 91 HA LEU 91 -4.804 3.871 -5.876 681 1HB LEU 91 2HB LEU 91 -3.452 2.353 -7.301 682 2HB LEU 91 1HB LEU 91 -3.015 3.734 -8.347 683 HG LEU 91 HG LEU 91 -1.822 4.792 -6.415 684 1HD1 LEU 91 1HD1 LEU 91 -1.282 3.425 -4.388 685 2HD1 LEU 91 2HD1 LEU 91 -2.438 2.158 -4.936 686 3HD1 LEU 91 3HD1 LEU 91 -3.040 3.800 -4.481 687 1HD2 LEU 91 1HD2 LEU 91 -0.937 1.910 -7.062 688 2HD2 LEU 91 2HD2 LEU 91 0.117 3.231 -6.433 689 3HD2 LEU 91 3HD2 LEU 91 -0.619 3.373 -8.070 690 H GLU 92 H GLU 92 -4.627 5.818 -8.889 691 HA GLU 92 HA GLU 92 -3.804 8.165 -7.691 692 1HB GLU 92 2HB GLU 92 -3.889 7.874 -10.087 693 2HB GLU 92 1HB GLU 92 -5.663 7.793 -10.086 694 1HG GLU 92 2HG GLU 92 -4.291 10.251 -8.879 695 2HG GLU 92 1HG GLU 92 -4.253 10.032 -10.653 696 H GLN 93 H GLN 93 -7.302 7.172 -8.243 697 HA GLN 93 HA GLN 93 -8.360 9.268 -6.895 698 1HB GLN 93 2HB GLN 93 -9.291 6.359 -7.108 699 2HB GLN 93 1HB GLN 93 -10.289 7.707 -6.485 700 1HG GLN 93 2HG GLN 93 -9.956 8.901 -8.747 701 2HG GLN 93 1HG GLN 93 -9.214 7.385 -9.360 702 1HE2 GLN 93 1HE2 GLN 93 -12.157 8.621 -7.653 703 2HE2 GLN 93 2HE2 GLN 93 -13.259 7.464 -8.337 704 H ALA 94 H ALA 94 -7.252 6.211 -5.463 705 HA ALA 94 HA ALA 94 -8.038 6.636 -2.836 706 1HB ALA 94 1HB ALA 94 -5.687 5.125 -4.126 707 2HB ALA 94 2HB ALA 94 -7.319 4.469 -3.750 708 3HB ALA 94 3HB ALA 94 -6.203 4.922 -2.414 709 H ALA 95 H ALA 95 -4.794 7.236 -4.301 710 HA ALA 95 HA ALA 95 -3.756 8.407 -1.994 711 1HB ALA 95 1HB ALA 95 -2.890 8.610 -4.933 712 2HB ALA 95 2HB ALA 95 -2.391 7.332 -3.776 713 3HB ALA 95 3HB ALA 95 -1.859 9.031 -3.503 714 H THR 96 H THR 96 -4.959 10.004 -5.007 715 HA THR 96 HA THR 96 -4.799 12.569 -4.323 716 HB THR 96 HB THR 96 -6.979 11.052 -5.797 717 HG1 THR 96 1HG THR 96 -5.773 11.497 -7.506 718 1HG2 THR 96 1HG2 THR 96 -7.382 13.260 -6.977 719 2HG2 THR 96 2HG2 THR 96 -6.344 14.087 -5.761 720 3HG2 THR 96 3HG2 THR 96 -7.901 13.306 -5.266 721 H GLN 97 H GLN 97 -7.509 10.395 -3.349 722 HA GLN 97 HA GLN 97 -8.820 12.598 -2.132 723 1HB GLN 97 2HB GLN 97 -10.552 11.272 -1.504 724 2HB GLN 97 1HB GLN 97 -9.994 10.677 -3.088 725 1HG GLN 97 2HG GLN 97 -8.752 8.794 -1.837 726 2HG GLN 97 1HG GLN 97 -9.558 9.316 -0.319 727 1HE2 GLN 97 1HE2 GLN 97 -10.090 8.092 -3.619 728 2HE2 GLN 97 2HE2 GLN 97 -11.615 7.308 -3.276 729 H GLN 98 H GLN 98 -6.522 10.197 -0.819 730 HA GLN 98 HA GLN 98 -7.033 11.185 1.831 731 1HB GLN 98 2HB GLN 98 -4.868 9.333 0.776 732 2HB GLN 98 1HB GLN 98 -5.218 9.715 2.504 733 1HG GLN 98 2HG GLN 98 -7.652 8.916 2.004 734 2HG GLN 98 1HG GLN 98 -7.021 8.246 0.479 735 1HE2 GLN 98 1HE2 GLN 98 -7.449 7.670 3.851 736 2HE2 GLN 98 2HE2 GLN 98 -6.660 6.108 3.859 737 H ALA 99 H ALA 99 -4.532 11.810 -0.653 738 HA ALA 99 HA ALA 99 -3.031 13.444 1.095 739 1HB ALA 99 1HB ALA 99 -1.642 13.850 -0.904 740 2HB ALA 99 2HB ALA 99 -2.925 13.120 -1.956 741 3HB ALA 99 3HB ALA 99 -2.046 12.107 -0.767 742 H GLY 100 H GLY 100 -5.369 14.186 -1.521 743 1HA GLY 100 2HA GLY 100 -6.736 15.994 -1.352 744 2HA GLY 100 1HA GLY 100 -5.501 16.908 -0.446 745 H GLU 101 H GLU 101 -4.521 15.247 -3.345 746 HA GLU 101 HA GLU 101 -5.033 17.324 -5.176 747 1HB GLU 101 2HB GLU 101 -3.235 18.590 -4.247 748 2HB GLU 101 1HB GLU 101 -2.287 17.126 -3.861 749 1HG GLU 101 2HG GLU 101 -1.650 16.751 -6.130 750 2HG GLU 101 1HG GLU 101 -2.882 17.889 -6.767 751 H THR 102 H THR 102 -4.434 16.493 -7.344 752 HA THR 102 HA THR 102 -4.595 13.816 -7.672 753 HB THR 102 HB THR 102 -3.248 15.740 -9.573 754 HG1 THR 102 1HG THR 102 -5.226 16.015 -10.358 755 1HG2 THR 102 1HG2 THR 102 -4.634 12.972 -9.905 756 2HG2 THR 102 2HG2 THR 102 -2.902 13.330 -10.235 757 3HG2 THR 102 3HG2 THR 102 -4.170 14.054 -11.269 758 H VAL 103 H VAL 103 -3.275 12.280 -6.912 759 HA VAL 103 HA VAL 103 -0.406 12.677 -6.948 760 HB VAL 103 HB VAL 103 -2.044 10.332 -6.021 761 1HG1 VAL 103 1HG1 VAL 103 0.951 11.083 -5.678 762 2HG1 VAL 103 2HG1 VAL 103 0.317 9.689 -6.636 763 3HG1 VAL 103 3HG1 VAL 103 0.132 9.717 -4.847 764 1HG2 VAL 103 1HG2 VAL 103 -0.751 12.718 -4.522 765 2HG2 VAL 103 2HG2 VAL 103 -1.410 11.251 -3.713 766 3HG2 VAL 103 3HG2 VAL 103 -2.510 12.338 -4.628 767 H SER 104 H SER 104 0.617 12.317 -8.687 768 HA SER 104 HA SER 104 -0.809 11.049 -10.877 769 1HB SER 104 2HB SER 104 1.760 12.696 -10.930 770 2HB SER 104 1HB SER 104 0.865 12.105 -12.368 771 HG SER 104 HG SER 104 0.030 13.971 -10.415 772 H PHE 105 H PHE 105 -0.581 8.780 -10.765 773 HA PHE 105 HA PHE 105 2.076 7.709 -10.722 774 1HB PHE 105 2HB PHE 105 -0.746 6.482 -10.944 775 2HB PHE 105 1HB PHE 105 0.814 5.553 -10.907 776 HD1 PHE 105 1HD PHE 105 2.300 5.714 -8.980 777 HD2 PHE 105 2HD PHE 105 -1.612 7.367 -8.907 778 HE1 PHE 105 1HE PHE 105 2.398 5.828 -6.537 779 HE2 PHE 105 2HE PHE 105 -1.527 7.476 -6.470 780 HZ PHE 105 HZ PHE 105 0.483 6.713 -5.271 781 H ARG 106 H ARG 106 -0.418 8.427 -13.152 782 HA ARG 106 HA ARG 106 1.186 7.108 -15.212 783 1HB ARG 106 2HB ARG 106 -1.507 8.548 -15.191 784 2HB ARG 106 1HB ARG 106 -0.674 8.125 -16.702 785 1HG ARG 106 2HG ARG 106 -1.532 6.021 -14.628 786 2HG ARG 106 1HG ARG 106 -2.548 6.612 -15.988 787 1HD ARG 106 2HD ARG 106 -0.674 5.964 -17.597 788 2HD ARG 106 1HD ARG 106 0.128 5.111 -16.223 789 HE ARG 106 HE ARG 106 -2.619 4.188 -16.385 790 1HH1 ARG 106 1HH1 ARG 106 0.339 4.152 -18.434 791 2HH1 ARG 106 2HH1 ARG 106 -0.229 2.711 -19.267 792 1HH2 ARG 106 1HH2 ARG 106 -3.113 2.112 -17.519 793 2HH2 ARG 106 2HH2 ARG 106 -1.968 1.648 -18.744 Start of MODEL 9 1 HA MET 1 HA MET 1 0.426 -16.225 -12.992 2 1HB MET 1 2HB MET 1 -0.702 -16.890 -15.226 3 2HB MET 1 1HB MET 1 0.159 -18.442 -15.105 4 1HG MET 1 2HG MET 1 -1.010 -18.704 -12.780 5 2HG MET 1 1HG MET 1 -1.901 -17.210 -13.193 6 1HE MET 1 1HE MET 1 -4.069 -18.034 -12.792 7 2HE MET 1 2HE MET 1 -3.266 -19.510 -12.158 8 3HE MET 1 3HE MET 1 -4.695 -19.652 -13.235 9 H ASN 2 H ASN 2 2.764 -16.386 -12.032 10 HA ASN 2 HA ASN 2 3.394 -19.104 -11.365 11 1HB ASN 2 2HB ASN 2 4.145 -18.744 -13.803 12 2HB ASN 2 1HB ASN 2 5.222 -17.447 -13.221 13 1HD2 ASN 2 1HD2 ASN 2 6.932 -18.631 -14.200 14 2HD2 ASN 2 2HD2 ASN 2 7.625 -20.040 -13.446 15 H ASP 3 H ASP 3 5.413 -19.190 -10.037 16 HA ASP 3 HA ASP 3 5.224 -17.364 -7.972 17 1HB ASP 3 2HB ASP 3 5.768 -19.744 -7.733 18 2HB ASP 3 1HB ASP 3 7.250 -19.543 -8.720 19 H SER 4 H SER 4 8.048 -17.876 -10.174 20 HA SER 4 HA SER 4 9.396 -15.662 -9.218 21 1HB SER 4 2HB SER 4 10.388 -17.554 -10.537 22 2HB SER 4 1HB SER 4 9.668 -16.857 -12.023 23 HG SER 4 HG SER 4 11.811 -16.220 -11.663 24 H GLU 5 H GLU 5 6.998 -15.928 -11.775 25 HA GLU 5 HA GLU 5 7.309 -13.405 -12.898 26 1HB GLU 5 2HB GLU 5 5.979 -15.534 -13.675 27 2HB GLU 5 1HB GLU 5 4.652 -14.882 -12.691 28 1HG GLU 5 2HG GLU 5 4.154 -14.044 -14.804 29 2HG GLU 5 1HG GLU 5 5.047 -12.641 -14.123 30 H PHE 6 H PHE 6 4.830 -14.464 -10.435 31 HA PHE 6 HA PHE 6 3.874 -12.128 -9.689 32 1HB PHE 6 2HB PHE 6 3.199 -14.414 -8.956 33 2HB PHE 6 1HB PHE 6 4.701 -14.557 -7.989 34 HD1 PHE 6 1HD PHE 6 2.095 -11.866 -8.399 35 HD2 PHE 6 2HD PHE 6 4.107 -14.545 -5.773 36 HE1 PHE 6 1HE PHE 6 0.799 -11.009 -6.534 37 HE2 PHE 6 2HE PHE 6 2.798 -13.679 -3.897 38 HZ PHE 6 HZ PHE 6 1.119 -11.913 -4.281 39 H HIS 7 H HIS 7 6.988 -13.477 -8.395 40 HA HIS 7 HA HIS 7 7.283 -11.306 -6.609 41 1HB HIS 7 2HB HIS 7 8.391 -13.322 -6.002 42 2HB HIS 7 1HB HIS 7 9.124 -13.489 -7.630 43 HD1 HIS 7 1HD HIS 7 9.848 -11.805 -4.294 44 HD2 HIS 7 2HD HIS 7 11.180 -11.844 -8.256 45 HE1 HIS 7 1HE HIS 7 11.969 -10.471 -4.333 46 H ARG 8 H ARG 8 8.664 -11.918 -9.898 47 HA ARG 8 HA ARG 8 10.324 -9.696 -9.806 48 1HB ARG 8 2HB ARG 8 10.304 -11.716 -11.439 49 2HB ARG 8 1HB ARG 8 9.058 -10.838 -12.345 50 1HG ARG 8 2HG ARG 8 10.709 -8.837 -12.471 51 2HG ARG 8 1HG ARG 8 11.931 -9.909 -11.723 52 1HD ARG 8 2HD ARG 8 11.605 -11.519 -13.706 53 2HD ARG 8 1HD ARG 8 10.511 -10.269 -14.443 54 HE ARG 8 HE ARG 8 13.107 -9.158 -13.600 55 1HH1 ARG 8 1HH1 ARG 8 11.620 -11.039 -16.278 56 2HH1 ARG 8 2HH1 ARG 8 13.091 -10.981 -17.199 57 1HH2 ARG 8 1HH2 ARG 8 14.952 -9.005 -15.031 58 2HH2 ARG 8 2HH2 ARG 8 14.874 -9.821 -16.557 59 H LEU 9 H LEU 9 7.022 -10.046 -11.150 60 HA LEU 9 HA LEU 9 6.709 -7.425 -12.001 61 1HB LEU 9 2HB LEU 9 4.792 -9.573 -10.971 62 2HB LEU 9 1HB LEU 9 4.209 -8.005 -11.594 63 HG LEU 9 HG LEU 9 5.892 -9.972 -13.239 64 1HD1 LEU 9 1HD1 LEU 9 2.836 -9.543 -13.174 65 2HD1 LEU 9 2HD1 LEU 9 3.726 -11.004 -12.604 66 3HD1 LEU 9 3HD1 LEU 9 3.733 -10.568 -14.355 67 1HD2 LEU 9 1HD2 LEU 9 4.226 -7.498 -14.058 68 2HD2 LEU 9 2HD2 LEU 9 5.032 -8.641 -15.187 69 3HD2 LEU 9 3HD2 LEU 9 6.026 -7.618 -14.088 70 H ALA 10 H ALA 10 5.927 -8.894 -8.809 71 HA ALA 10 HA ALA 10 4.855 -6.615 -7.700 72 1HB ALA 10 1HB ALA 10 4.596 -8.877 -6.732 73 2HB ALA 10 2HB ALA 10 5.247 -7.729 -5.514 74 3HB ALA 10 3HB ALA 10 6.350 -8.916 -6.326 75 H ASP 11 H ASP 11 8.277 -7.747 -7.511 76 HA ASP 11 HA ASP 11 9.151 -5.555 -6.051 77 1HB ASP 11 2HB ASP 11 10.323 -7.865 -7.553 78 2HB ASP 11 1HB ASP 11 11.409 -6.442 -7.420 79 H GLN 12 H GLN 12 8.844 -5.927 -9.573 80 HA GLN 12 HA GLN 12 10.134 -3.519 -10.187 81 1HB GLN 12 2HB GLN 12 8.156 -5.352 -11.563 82 2HB GLN 12 1HB GLN 12 8.540 -3.792 -12.333 83 1HG GLN 12 2HG GLN 12 10.743 -5.792 -11.502 84 2HG GLN 12 1HG GLN 12 9.916 -5.825 -13.102 85 1HE2 GLN 12 1HE2 GLN 12 12.349 -4.152 -11.164 86 2HE2 GLN 12 2HE2 GLN 12 12.707 -2.906 -12.318 87 H LEU 13 H LEU 13 6.549 -4.115 -9.696 88 HA LEU 13 HA LEU 13 6.057 -1.400 -10.058 89 1HB LEU 13 2HB LEU 13 3.850 -1.859 -9.322 90 2HB LEU 13 1HB LEU 13 4.407 -2.941 -10.646 91 HG LEU 13 HG LEU 13 4.873 -4.496 -8.386 92 1HD1 LEU 13 1HD1 LEU 13 2.850 -4.339 -6.946 93 2HD1 LEU 13 2HD1 LEU 13 2.214 -2.974 -7.929 94 3HD1 LEU 13 3HD1 LEU 13 3.690 -2.737 -6.935 95 1HD2 LEU 13 1HD2 LEU 13 2.833 -5.744 -9.090 96 2HD2 LEU 13 2HD2 LEU 13 3.773 -5.199 -10.525 97 3HD2 LEU 13 3HD2 LEU 13 2.272 -4.323 -10.047 98 H TRP 14 H TRP 14 6.543 -3.280 -7.079 99 HA TRP 14 HA TRP 14 6.367 -1.463 -5.122 100 1HB TRP 14 2HB TRP 14 8.164 -3.733 -5.813 101 2HB TRP 14 1HB TRP 14 8.934 -2.619 -4.684 102 HD1 TRP 14 HD TRP 14 9.141 -3.932 -2.667 103 HE1 TRP 14 1HE TRP 14 7.551 -5.071 -1.002 104 HE3 TRP 14 3HE TRP 14 4.881 -3.615 -5.382 105 HZ2 TRP 14 2HZ TRP 14 4.823 -5.847 -0.956 106 HZ3 TRP 14 3HZ TRP 14 2.830 -4.599 -4.504 107 HH2 TRP 14 HH TRP 14 2.795 -5.705 -2.322 108 H LEU 15 H LEU 15 9.301 -1.859 -7.097 109 HA LEU 15 HA LEU 15 10.681 0.293 -6.037 110 1HB LEU 15 2HB LEU 15 11.614 -1.705 -7.130 111 2HB LEU 15 1HB LEU 15 10.870 -1.246 -8.686 112 HG LEU 15 HG LEU 15 12.351 0.716 -8.844 113 1HD1 LEU 15 1HD1 LEU 15 12.714 1.276 -6.429 114 2HD1 LEU 15 2HD1 LEU 15 14.289 0.998 -7.253 115 3HD1 LEU 15 3HD1 LEU 15 13.594 -0.280 -6.187 116 1HD2 LEU 15 1HD2 LEU 15 13.086 -1.468 -9.791 117 2HD2 LEU 15 2HD2 LEU 15 13.839 -1.917 -8.212 118 3HD2 LEU 15 3HD2 LEU 15 14.505 -0.542 -9.159 119 H THR 16 H THR 16 8.741 0.066 -8.980 120 HA THR 16 HA THR 16 9.166 2.672 -9.882 121 HB THR 16 HB THR 16 6.729 0.931 -10.333 122 HG1 THR 16 1HG THR 16 8.399 -0.138 -11.109 123 1HG2 THR 16 1HG2 THR 16 6.338 3.317 -11.021 124 2HG2 THR 16 2HG2 THR 16 6.599 2.290 -12.466 125 3HG2 THR 16 3HG2 THR 16 7.930 3.348 -11.866 126 H ILE 17 H ILE 17 6.457 1.446 -7.848 127 HA ILE 17 HA ILE 17 5.228 3.864 -7.440 128 HB ILE 17 HB ILE 17 5.400 1.362 -5.767 129 1HG1 ILE 17 2HG1 ILE 17 3.121 2.528 -7.478 130 2HG1 ILE 17 1HG1 ILE 17 4.305 1.360 -8.127 131 1HG2 ILE 17 1HG2 ILE 17 4.816 3.245 -4.233 132 2HG2 ILE 17 2HG2 ILE 17 3.390 2.232 -4.559 133 3HG2 ILE 17 3HG2 ILE 17 3.552 3.808 -5.400 134 1HD1 ILE 17 1HD1 ILE 17 2.372 0.829 -5.779 135 2HD1 ILE 17 2HD1 ILE 17 3.664 -0.300 -6.334 136 3HD1 ILE 17 3HD1 ILE 17 2.306 0.135 -7.430 137 H GLU 18 H GLU 18 7.720 2.316 -5.389 138 HA GLU 18 HA GLU 18 7.756 4.252 -3.469 139 1HB GLU 18 2HB GLU 18 8.802 1.871 -3.672 140 2HB GLU 18 1HB GLU 18 10.272 2.712 -4.203 141 1HG GLU 18 2HG GLU 18 8.723 3.292 -1.568 142 2HG GLU 18 1HG GLU 18 10.031 2.074 -1.709 143 H GLU 19 H GLU 19 10.044 4.043 -6.280 144 HA GLU 19 HA GLU 19 11.254 6.458 -5.564 145 1HB GLU 19 2HB GLU 19 11.261 5.100 -8.292 146 2HB GLU 19 1HB GLU 19 12.339 6.422 -7.746 147 1HG GLU 19 2HG GLU 19 13.054 4.851 -5.796 148 2HG GLU 19 1HG GLU 19 12.276 3.523 -6.716 149 H ARG 20 H ARG 20 8.473 5.920 -7.773 150 HA ARG 20 HA ARG 20 8.559 8.534 -8.812 151 1HB ARG 20 2HB ARG 20 7.336 6.666 -9.861 152 2HB ARG 20 1HB ARG 20 6.195 6.686 -8.492 153 1HG ARG 20 2HG ARG 20 5.170 7.858 -10.360 154 2HG ARG 20 1HG ARG 20 5.546 9.045 -9.094 155 1HD ARG 20 2HD ARG 20 6.084 10.088 -11.175 156 2HD ARG 20 1HD ARG 20 7.674 9.662 -10.436 157 HE ARG 20 HE ARG 20 6.295 7.823 -12.415 158 1HH1 ARG 20 1HH1 ARG 20 9.088 10.037 -11.885 159 2HH1 ARG 20 2HH1 ARG 20 9.586 9.914 -13.513 160 1HH2 ARG 20 1HH2 ARG 20 7.327 7.301 -14.343 161 2HH2 ARG 20 2HH2 ARG 20 8.681 8.248 -14.869 162 H LEU 21 H LEU 21 6.963 7.152 -5.911 163 HA LEU 21 HA LEU 21 5.733 9.631 -5.254 164 1HB LEU 21 2HB LEU 21 6.196 7.019 -3.750 165 2HB LEU 21 1HB LEU 21 5.315 8.410 -3.029 166 HG LEU 21 HG LEU 21 4.487 7.101 -5.678 167 1HD1 LEU 21 1HD1 LEU 21 3.462 6.568 -2.822 168 2HD1 LEU 21 2HD1 LEU 21 4.450 5.439 -3.816 169 3HD1 LEU 21 3HD1 LEU 21 2.774 5.871 -4.348 170 1HD2 LEU 21 1HD2 LEU 21 3.022 8.982 -3.707 171 2HD2 LEU 21 2HD2 LEU 21 2.262 8.184 -5.130 172 3HD2 LEU 21 3HD2 LEU 21 3.564 9.404 -5.374 173 H ASP 22 H ASP 22 8.680 7.976 -3.957 174 HA ASP 22 HA ASP 22 9.380 9.871 -2.154 175 1HB ASP 22 2HB ASP 22 10.323 7.564 -2.577 176 2HB ASP 22 1HB ASP 22 11.191 8.210 -3.997 177 H ASP 23 H ASP 23 9.753 10.071 -5.697 178 HA ASP 23 HA ASP 23 11.296 12.450 -5.504 179 1HB ASP 23 2HB ASP 23 11.406 10.727 -7.306 180 2HB ASP 23 1HB ASP 23 9.750 11.198 -7.834 181 H TRP 24 H TRP 24 7.889 12.021 -5.057 182 HA TRP 24 HA TRP 24 7.245 14.447 -6.482 183 1HB TRP 24 2HB TRP 24 5.986 12.163 -6.430 184 2HB TRP 24 1HB TRP 24 5.345 12.724 -4.861 185 HD1 TRP 24 HD TRP 24 3.113 14.190 -5.146 186 HE1 TRP 24 1HE TRP 24 1.731 14.860 -7.206 187 HE3 TRP 24 3HE TRP 24 6.569 13.276 -8.741 188 HZ2 TRP 24 2HZ TRP 24 2.162 15.184 -9.982 189 HZ3 TRP 24 3HZ TRP 24 6.036 13.811 -11.067 190 HH2 TRP 24 HH TRP 24 3.872 14.743 -11.681 191 H ASP 25 H ASP 25 7.130 16.425 -5.558 192 HA ASP 25 HA ASP 25 6.831 16.525 -2.639 193 1HB ASP 25 2HB ASP 25 9.174 16.968 -3.770 194 2HB ASP 25 1HB ASP 25 8.468 18.546 -4.253 195 H GLY 26 H GLY 26 6.216 18.906 -1.939 196 1HA GLY 26 2HA GLY 26 4.661 20.469 -3.569 197 2HA GLY 26 1HA GLY 26 3.621 19.124 -2.985 198 H ASP 27 H ASP 27 2.282 20.021 -1.633 199 HA ASP 27 HA ASP 27 3.114 22.036 0.255 200 1HB ASP 27 2HB ASP 27 0.932 21.929 -1.196 201 2HB ASP 27 1HB ASP 27 0.386 20.637 -0.083 202 H SER 28 H SER 28 2.163 18.711 -0.033 203 HA SER 28 HA SER 28 2.429 18.241 2.866 204 1HB SER 28 2HB SER 28 1.189 16.503 0.667 205 2HB SER 28 1HB SER 28 1.387 16.001 2.383 206 HG SER 28 HG SER 28 -0.244 18.036 1.316 207 H ASP 29 H ASP 29 3.908 16.769 3.720 208 HA ASP 29 HA ASP 29 5.964 15.886 1.934 209 1HB ASP 29 2HB ASP 29 6.270 16.963 4.286 210 2HB ASP 29 1HB ASP 29 5.727 15.389 4.957 211 H ILE 30 H ILE 30 6.747 13.614 2.232 212 HA ILE 30 HA ILE 30 4.749 11.629 2.538 213 HB ILE 30 HB ILE 30 3.933 12.617 0.551 214 1HG1 ILE 30 2HG1 ILE 30 3.798 10.123 0.962 215 2HG1 ILE 30 1HG1 ILE 30 3.506 10.744 -0.685 216 1HG2 ILE 30 1HG2 ILE 30 6.638 12.047 -0.787 217 2HG2 ILE 30 2HG2 ILE 30 5.972 13.662 -0.355 218 3HG2 ILE 30 3HG2 ILE 30 5.149 12.639 -1.583 219 1HD1 ILE 30 1HD1 ILE 30 4.783 8.677 -0.840 220 2HD1 ILE 30 2HD1 ILE 30 6.079 9.303 0.234 221 3HD1 ILE 30 3HD1 ILE 30 5.821 10.035 -1.388 222 H ASP 31 H ASP 31 5.813 10.123 3.430 223 HA ASP 31 HA ASP 31 8.390 9.289 2.250 224 1HB ASP 31 2HB ASP 31 7.613 8.854 5.187 225 2HB ASP 31 1HB ASP 31 9.212 8.555 4.414 226 H CYS 32 H CYS 32 8.268 7.119 1.435 227 HA CYS 32 HA CYS 32 5.962 5.594 2.311 228 1HB CYS 32 2HB CYS 32 8.153 5.167 0.260 229 2HB CYS 32 1HB CYS 32 6.826 3.996 0.576 230 HG CYS 32 HG CYS 32 6.859 7.071 -0.614 231 H GLU 33 H GLU 33 6.130 3.617 3.265 232 HA GLU 33 HA GLU 33 8.516 3.224 4.919 233 1HB GLU 33 2HB GLU 33 5.673 2.107 5.089 234 2HB GLU 33 1HB GLU 33 6.969 1.792 6.280 235 1HG GLU 33 2HG GLU 33 7.058 4.205 6.893 236 2HG GLU 33 1HG GLU 33 5.802 4.590 5.663 237 H ILE 34 H ILE 34 9.688 1.275 4.850 238 HA ILE 34 HA ILE 34 8.784 -0.697 2.903 239 HB ILE 34 HB ILE 34 11.672 -0.052 3.413 240 1HG1 ILE 34 2HG1 ILE 34 11.482 0.726 0.894 241 2HG1 ILE 34 1HG1 ILE 34 9.779 1.087 1.296 242 1HG2 ILE 34 1HG2 ILE 34 11.932 -1.442 1.337 243 2HG2 ILE 34 2HG2 ILE 34 10.155 -1.715 1.295 244 3HG2 ILE 34 3HG2 ILE 34 11.148 -2.378 2.649 245 1HD1 ILE 34 1HD1 ILE 34 10.567 2.643 3.121 246 2HD1 ILE 34 2HD1 ILE 34 11.292 3.090 1.538 247 3HD1 ILE 34 3HD1 ILE 34 12.276 2.195 2.764 248 H ASN 35 H ASN 35 8.182 -2.192 3.978 249 HA ASN 35 HA ASN 35 9.832 -3.398 6.125 250 1HB ASN 35 2HB ASN 35 7.979 -2.141 7.148 251 2HB ASN 35 1HB ASN 35 6.795 -3.016 6.134 252 1HD2 ASN 35 1HD2 ASN 35 5.733 -3.704 8.134 253 2HD2 ASN 35 2HD2 ASN 35 6.349 -5.093 8.973 254 H GLY 36 H GLY 36 10.658 -4.570 4.159 255 1HA GLY 36 2HA GLY 36 10.913 -6.534 3.246 256 2HA GLY 36 1HA GLY 36 9.590 -7.151 4.288 257 H GLY 37 H GLY 37 7.644 -7.601 3.388 258 1HA GLY 37 2HA GLY 37 7.282 -7.008 0.526 259 2HA GLY 37 1HA GLY 37 6.520 -8.322 1.482 260 H VAL 38 H VAL 38 6.829 -5.235 2.975 261 HA VAL 38 HA VAL 38 4.061 -4.503 2.322 262 HB VAL 38 HB VAL 38 5.647 -4.105 4.885 263 1HG1 VAL 38 1HG1 VAL 38 4.234 -2.118 4.523 264 2HG1 VAL 38 2HG1 VAL 38 3.408 -3.165 5.723 265 3HG1 VAL 38 3HG1 VAL 38 2.851 -3.161 4.005 266 1HG2 VAL 38 1HG2 VAL 38 3.104 -5.768 4.391 267 2HG2 VAL 38 2HG2 VAL 38 3.955 -5.530 5.956 268 3HG2 VAL 38 3HG2 VAL 38 4.763 -6.449 4.643 269 H LEU 39 H LEU 39 3.987 -2.593 1.148 270 HA LEU 39 HA LEU 39 5.927 -0.562 1.920 271 1HB LEU 39 2HB LEU 39 4.378 -1.015 -0.675 272 2HB LEU 39 1HB LEU 39 5.089 0.567 -0.263 273 HG LEU 39 HG LEU 39 6.747 -1.992 -0.462 274 1HD1 LEU 39 1HD1 LEU 39 6.243 0.262 -2.539 275 2HD1 LEU 39 2HD1 LEU 39 5.706 -1.454 -2.673 276 3HD1 LEU 39 3HD1 LEU 39 7.470 -1.055 -2.708 277 1HD2 LEU 39 1HD2 LEU 39 7.541 0.992 -0.349 278 2HD2 LEU 39 2HD2 LEU 39 8.672 -0.374 -0.680 279 3HD2 LEU 39 3HD2 LEU 39 7.844 -0.260 0.913 280 H THR 40 H THR 40 5.073 1.305 2.687 281 HA THR 40 HA THR 40 2.147 1.593 2.550 282 HB THR 40 HB THR 40 3.415 2.477 5.128 283 HG1 THR 40 1HG THR 40 2.741 -0.151 4.405 284 1HG2 THR 40 1HG2 THR 40 1.018 3.033 4.444 285 2HG2 THR 40 2HG2 THR 40 1.052 1.907 5.858 286 3HG2 THR 40 3HG2 THR 40 0.712 1.266 4.215 287 H ILE 41 H ILE 41 1.550 3.465 1.792 288 HA ILE 41 HA ILE 41 3.707 5.396 1.498 289 HB ILE 41 HB ILE 41 0.963 5.334 0.249 290 1HG1 ILE 41 2HG1 ILE 41 3.640 4.642 -1.059 291 2HG1 ILE 41 1HG1 ILE 41 2.626 3.384 -0.331 292 1HG2 ILE 41 1HG2 ILE 41 3.451 7.059 -0.357 293 2HG2 ILE 41 2HG2 ILE 41 1.909 7.635 0.383 294 3HG2 ILE 41 3HG2 ILE 41 1.919 7.051 -1.306 295 1HD1 ILE 41 1HD1 ILE 41 2.260 3.679 -2.847 296 2HD1 ILE 41 2HD1 ILE 41 1.484 5.261 -2.484 297 3HD1 ILE 41 3HD1 ILE 41 0.773 3.748 -1.835 298 H THR 42 H THR 42 3.881 6.938 2.946 299 HA THR 42 HA THR 42 1.454 7.705 4.432 300 HB THR 42 HB THR 42 4.224 7.361 5.510 301 HG1 THR 42 1HG THR 42 3.406 5.485 6.312 302 1HG2 THR 42 1HG2 THR 42 1.511 8.067 6.857 303 2HG2 THR 42 2HG2 THR 42 2.972 9.126 6.783 304 3HG2 THR 42 3HG2 THR 42 3.011 7.616 7.747 305 H PHE 43 H PHE 43 0.889 9.573 4.122 306 HA PHE 43 HA PHE 43 2.810 11.788 4.010 307 1HB PHE 43 2HB PHE 43 1.205 13.025 2.476 308 2HB PHE 43 1HB PHE 43 2.212 11.730 1.798 309 HD1 PHE 43 1HD PHE 43 -1.182 12.800 2.418 310 HD2 PHE 43 2HD PHE 43 1.305 9.577 1.225 311 HE1 PHE 43 1HE PHE 43 -3.103 11.706 1.375 312 HE2 PHE 43 2HE PHE 43 -0.617 8.469 0.178 313 HZ PHE 43 HZ PHE 43 -2.835 9.531 0.262 314 H GLU 44 H GLU 44 2.014 13.862 4.558 315 HA GLU 44 HA GLU 44 1.622 13.861 7.140 316 1HB GLU 44 2HB GLU 44 1.245 16.005 4.998 317 2HB GLU 44 1HB GLU 44 1.132 16.363 6.744 318 1HG GLU 44 2HG GLU 44 3.436 15.128 6.999 319 2HG GLU 44 1HG GLU 44 3.580 15.263 5.214 320 H ASN 45 H ASN 45 -1.068 13.972 4.940 321 HA ASN 45 HA ASN 45 -2.916 15.055 6.726 322 1HB ASN 45 2HB ASN 45 -2.931 14.532 4.080 323 2HB ASN 45 1HB ASN 45 -3.757 13.038 4.590 324 1HD2 ASN 45 1HD2 ASN 45 -3.989 16.521 4.208 325 2HD2 ASN 45 2HD2 ASN 45 -5.675 16.665 4.646 326 H GLY 46 H GLY 46 -1.359 12.093 6.992 327 1HA GLY 46 2HA GLY 46 -1.584 10.696 8.762 328 2HA GLY 46 1HA GLY 46 -3.274 11.255 9.030 329 H SER 47 H SER 47 -2.084 10.441 5.911 330 HA SER 47 HA SER 47 -4.175 8.523 5.568 331 1HB SER 47 2HB SER 47 -2.098 9.616 3.601 332 2HB SER 47 1HB SER 47 -3.606 8.757 3.156 333 HG SER 47 HG SER 47 -4.614 10.557 4.495 334 H LYS 48 H LYS 48 -3.855 6.548 4.217 335 HA LYS 48 HA LYS 48 -1.292 5.245 4.726 336 1HB LYS 48 2HB LYS 48 -2.690 5.187 6.813 337 2HB LYS 48 1HB LYS 48 -3.981 4.356 5.910 338 1HG LYS 48 2HG LYS 48 -2.534 2.392 5.560 339 2HG LYS 48 1HG LYS 48 -1.128 3.225 6.302 340 1HD LYS 48 2HD LYS 48 -3.791 2.781 7.757 341 2HD LYS 48 1HD LYS 48 -2.463 1.571 7.787 342 1HE LYS 48 2HE LYS 48 -0.929 3.183 8.882 343 2HE LYS 48 1HE LYS 48 -2.179 4.483 8.796 344 1HZ LYS 48 1HZ LYS 48 -2.386 1.940 10.347 345 2HZ LYS 48 2HZ LYS 48 -3.597 3.138 10.205 346 3HZ LYS 48 3HZ LYS 48 -2.132 3.496 10.935 347 H ILE 49 H ILE 49 -0.938 4.813 2.566 348 HA ILE 49 HA ILE 49 -2.999 3.161 1.241 349 HB ILE 49 HB ILE 49 -0.383 3.951 0.000 350 1HG1 ILE 49 2HG1 ILE 49 -1.045 6.030 0.872 351 2HG1 ILE 49 1HG1 ILE 49 -1.233 5.997 -0.898 352 1HG2 ILE 49 1HG2 ILE 49 -1.931 2.280 -1.086 353 2HG2 ILE 49 2HG2 ILE 49 -1.597 3.756 -2.066 354 3HG2 ILE 49 3HG2 ILE 49 -3.163 3.601 -1.211 355 1HD1 ILE 49 1HD1 ILE 49 -3.622 5.739 1.054 356 2HD1 ILE 49 2HD1 ILE 49 -3.693 5.819 -0.744 357 3HD1 ILE 49 3HD1 ILE 49 -3.120 7.237 0.198 358 H ILE 50 H ILE 50 -2.732 0.930 1.883 359 HA ILE 50 HA ILE 50 0.015 0.193 2.496 360 HB ILE 50 HB ILE 50 -1.082 0.332 4.450 361 1HG1 ILE 50 2HG1 ILE 50 -1.429 -2.076 5.171 362 2HG1 ILE 50 1HG1 ILE 50 -1.221 -2.536 3.449 363 1HG2 ILE 50 1HG2 ILE 50 -3.514 -1.070 3.213 364 2HG2 ILE 50 2HG2 ILE 50 -3.420 0.650 3.767 365 3HG2 ILE 50 3HG2 ILE 50 -3.301 -0.684 4.955 366 1HD1 ILE 50 1HD1 ILE 50 0.933 -2.713 4.854 367 2HD1 ILE 50 2HD1 ILE 50 0.821 -0.947 5.195 368 3HD1 ILE 50 3HD1 ILE 50 1.130 -1.509 3.520 369 H ILE 51 H ILE 51 0.972 -1.080 1.281 370 HA ILE 51 HA ILE 51 -0.535 -2.831 -0.528 371 HB ILE 51 HB ILE 51 2.041 -1.393 -1.154 372 1HG1 ILE 51 2HG1 ILE 51 -0.905 -0.718 -1.425 373 2HG1 ILE 51 1HG1 ILE 51 0.473 0.314 -0.990 374 1HG2 ILE 51 1HG2 ILE 51 1.598 -2.274 -3.419 375 2HG2 ILE 51 2HG2 ILE 51 0.039 -3.004 -2.879 376 3HG2 ILE 51 3HG2 ILE 51 1.616 -3.648 -2.287 377 1HD1 ILE 51 1HD1 ILE 51 -0.296 -0.771 -3.781 378 2HD1 ILE 51 2HD1 ILE 51 1.255 0.114 -3.463 379 3HD1 ILE 51 3HD1 ILE 51 -0.337 0.948 -3.246 380 H ASN 52 H ASN 52 -0.198 -4.859 -0.284 381 HA ASN 52 HA ASN 52 2.317 -5.958 0.476 382 1HB ASN 52 2HB ASN 52 1.660 -5.260 2.672 383 2HB ASN 52 1HB ASN 52 -0.035 -5.765 2.398 384 1HD2 ASN 52 1HD2 ASN 52 3.275 -7.372 2.369 385 2HD2 ASN 52 2HD2 ASN 52 2.739 -8.722 3.329 386 H ARG 53 H ARG 53 2.212 -8.257 0.570 387 HA ARG 53 HA ARG 53 0.393 -9.369 -1.439 388 1HB ARG 53 2HB ARG 53 2.436 -10.130 -2.575 389 2HB ARG 53 1HB ARG 53 2.316 -8.321 -2.511 390 1HG ARG 53 2HG ARG 53 4.004 -8.324 -0.630 391 2HG ARG 53 1HG ARG 53 4.135 -10.104 -0.792 392 1HD ARG 53 2HD ARG 53 4.912 -9.758 -3.206 393 2HD ARG 53 1HD ARG 53 4.873 -7.970 -2.909 394 HE ARG 53 HE ARG 53 6.427 -9.677 -0.983 395 1HH1 ARG 53 1HH1 ARG 53 6.871 -7.434 -3.771 396 2HH1 ARG 53 2HH1 ARG 53 8.525 -7.909 -3.923 397 1HH2 ARG 53 1HH2 ARG 53 8.526 -9.837 -0.960 398 2HH2 ARG 53 2HH2 ARG 53 9.542 -9.021 -2.133 399 H GLN 54 H GLN 54 -0.134 -11.404 -1.393 400 HA GLN 54 HA GLN 54 0.781 -12.880 0.936 401 1HB GLN 54 2HB GLN 54 -1.212 -14.303 0.449 402 2HB GLN 54 1HB GLN 54 -1.567 -12.638 1.000 403 1HG GLN 54 2HG GLN 54 -2.142 -11.929 -1.312 404 2HG GLN 54 1HG GLN 54 -1.685 -13.549 -1.954 405 1HE2 GLN 54 1HE2 GLN 54 -3.117 -15.281 -1.632 406 2HE2 GLN 54 2HE2 GLN 54 -4.700 -15.109 -0.884 407 H GLU 55 H GLU 55 1.835 -14.588 0.724 408 HA GLU 55 HA GLU 55 3.139 -15.404 -1.577 409 1HB GLU 55 2HB GLU 55 2.649 -16.741 1.088 410 2HB GLU 55 1HB GLU 55 3.594 -17.593 -0.148 411 1HG GLU 55 2HG GLU 55 4.401 -14.732 0.601 412 2HG GLU 55 1HG GLU 55 4.674 -16.065 1.764 413 HA PRO 56 HA PRO 56 0.164 -18.655 -2.791 414 1HB PRO 56 2HB PRO 56 -2.280 -19.054 -1.617 415 2HB PRO 56 1HB PRO 56 -0.772 -19.809 -0.974 416 1HG PRO 56 2HG PRO 56 -2.089 -17.200 -0.011 417 2HG PRO 56 1HG PRO 56 -1.592 -18.629 0.993 418 1HD PRO 56 2HD PRO 56 0.038 -16.410 0.643 419 2HD PRO 56 1HD PRO 56 0.742 -18.087 0.737 420 H LEU 57 H LEU 57 -1.095 -18.229 -4.603 421 HA LEU 57 HA LEU 57 -2.077 -17.185 -6.055 422 1HB LEU 57 2HB LEU 57 -3.609 -15.692 -3.924 423 2HB LEU 57 1HB LEU 57 -3.860 -15.476 -5.678 424 HG LEU 57 HG LEU 57 -3.946 -18.132 -5.707 425 1HD1 LEU 57 1HD1 LEU 57 -4.976 -17.481 -2.869 426 2HD1 LEU 57 2HD1 LEU 57 -3.568 -18.536 -3.284 427 3HD1 LEU 57 3HD1 LEU 57 -5.232 -19.035 -3.749 428 1HD2 LEU 57 1HD2 LEU 57 -6.452 -17.952 -5.582 429 2HD2 LEU 57 2HD2 LEU 57 -5.741 -16.578 -6.507 430 3HD2 LEU 57 3HD2 LEU 57 -6.294 -16.329 -4.810 431 H HIS 58 H HIS 58 -1.628 -15.992 -7.548 432 HA HIS 58 HA HIS 58 0.551 -14.164 -7.362 433 1HB HIS 58 2HB HIS 58 -1.129 -14.855 -9.772 434 2HB HIS 58 1HB HIS 58 0.526 -14.152 -9.744 435 HD1 HIS 58 1HD HIS 58 -0.990 -17.231 -10.323 436 HD2 HIS 58 2HD HIS 58 2.185 -16.145 -7.832 437 HE1 HIS 58 1HE HIS 58 0.386 -19.339 -9.909 438 H GLN 59 H GLN 59 -1.580 -12.979 -5.923 439 HA GLN 59 HA GLN 59 -2.581 -10.771 -7.573 440 1HB GLN 59 2HB GLN 59 -3.904 -12.642 -5.560 441 2HB GLN 59 1HB GLN 59 -4.483 -10.961 -5.695 442 1HG GLN 59 2HG GLN 59 -5.929 -12.413 -6.931 443 2HG GLN 59 1HG GLN 59 -5.149 -11.214 -7.990 444 1HE2 GLN 59 1HE2 GLN 59 -4.752 -12.069 -9.906 445 2HE2 GLN 59 2HE2 GLN 59 -4.102 -13.649 -10.264 446 H VAL 60 H VAL 60 -2.130 -8.759 -6.557 447 HA VAL 60 HA VAL 60 -1.165 -8.894 -3.768 448 HB VAL 60 HB VAL 60 -0.450 -6.813 -5.833 449 1HG1 VAL 60 1HG1 VAL 60 0.576 -7.377 -2.987 450 2HG1 VAL 60 2HG1 VAL 60 -0.263 -5.878 -3.553 451 3HG1 VAL 60 3HG1 VAL 60 1.367 -6.266 -4.168 452 1HG2 VAL 60 1HG2 VAL 60 1.861 -7.880 -5.683 453 2HG2 VAL 60 2HG2 VAL 60 0.651 -8.913 -6.510 454 3HG2 VAL 60 3HG2 VAL 60 1.128 -9.266 -4.795 455 H TRP 61 H TRP 61 -1.855 -7.018 -2.374 456 HA TRP 61 HA TRP 61 -4.478 -6.221 -3.250 457 1HB TRP 61 2HB TRP 61 -5.150 -5.922 -1.154 458 2HB TRP 61 1HB TRP 61 -4.161 -7.410 -1.103 459 HD1 TRP 61 HD TRP 61 -1.692 -4.719 -0.779 460 HE1 TRP 61 1HE TRP 61 -1.845 -3.496 1.490 461 HE3 TRP 61 3HE TRP 61 -5.643 -7.136 1.264 462 HZ2 TRP 61 2HZ TRP 61 -2.855 -4.155 4.086 463 HZ3 TRP 61 3HZ TRP 61 -6.099 -6.869 3.644 464 HH2 TRP 61 HH TRP 61 -4.736 -5.404 5.035 465 H LEU 62 H LEU 62 -5.362 -4.189 -3.076 466 HA LEU 62 HA LEU 62 -3.530 -1.893 -2.914 467 1HB LEU 62 2HB LEU 62 -6.004 -2.515 -4.599 468 2HB LEU 62 1HB LEU 62 -5.767 -0.837 -4.055 469 HG LEU 62 HG LEU 62 -5.092 -1.266 -6.365 470 1HD1 LEU 62 1HD1 LEU 62 -4.312 0.714 -5.077 471 2HD1 LEU 62 2HD1 LEU 62 -3.069 0.154 -6.255 472 3HD1 LEU 62 3HD1 LEU 62 -2.868 -0.214 -4.505 473 1HD2 LEU 62 1HD2 LEU 62 -2.651 -2.702 -5.187 474 2HD2 LEU 62 2HD2 LEU 62 -2.916 -2.283 -6.913 475 3HD2 LEU 62 3HD2 LEU 62 -3.979 -3.510 -6.115 476 H ALA 63 H ALA 63 -3.836 -1.867 -0.501 477 HA ALA 63 HA ALA 63 -6.651 -1.523 0.245 478 1HB ALA 63 1HB ALA 63 -5.634 -3.331 1.429 479 2HB ALA 63 2HB ALA 63 -5.843 -1.952 2.565 480 3HB ALA 63 3HB ALA 63 -4.217 -2.331 1.856 481 H THR 64 H THR 64 -7.257 0.464 -0.095 482 HA THR 64 HA THR 64 -5.898 2.662 1.168 483 HB THR 64 HB THR 64 -4.760 2.418 -0.953 484 HG1 THR 64 1HG THR 64 -5.177 4.441 -1.742 485 1HG2 THR 64 1HG2 THR 64 -7.568 2.598 -2.232 486 2HG2 THR 64 2HG2 THR 64 -6.426 1.206 -2.290 487 3HG2 THR 64 3HG2 THR 64 -6.002 2.739 -3.111 488 H LYS 65 H LYS 65 -7.347 4.655 0.528 489 HA LYS 65 HA LYS 65 -9.756 3.983 1.888 490 1HB LYS 65 2HB LYS 65 -8.103 5.870 2.341 491 2HB LYS 65 1HB LYS 65 -8.801 6.689 0.918 492 1HG LYS 65 2HG LYS 65 -9.785 7.653 2.821 493 2HG LYS 65 1HG LYS 65 -11.072 6.630 2.130 494 1HD LYS 65 2HD LYS 65 -10.612 4.895 3.888 495 2HD LYS 65 1HD LYS 65 -9.247 5.891 4.501 496 1HE LYS 65 2HE LYS 65 -10.894 7.780 4.963 497 2HE LYS 65 1HE LYS 65 -12.243 6.672 4.509 498 1HZ LYS 65 1HZ LYS 65 -11.969 6.692 6.851 499 2HZ LYS 65 2HZ LYS 65 -10.317 6.364 6.763 500 3HZ LYS 65 3HZ LYS 65 -11.469 5.187 6.344 501 H GLN 66 H GLN 66 -10.161 2.796 -0.429 502 HA GLN 66 HA GLN 66 -12.605 4.225 -1.176 503 1HB GLN 66 2HB GLN 66 -11.120 4.479 -3.113 504 2HB GLN 66 1HB GLN 66 -10.743 2.742 -3.082 505 1HG GLN 66 2HG GLN 66 -12.225 3.193 -4.920 506 2HG GLN 66 1HG GLN 66 -13.098 2.194 -3.722 507 1HE2 GLN 66 1HE2 GLN 66 -14.844 2.965 -5.176 508 2HE2 GLN 66 2HE2 GLN 66 -15.663 4.450 -4.735 509 H GLY 67 H GLY 67 -10.831 1.399 -0.275 510 1HA GLY 67 2HA GLY 67 -12.276 -0.348 0.760 511 2HA GLY 67 1HA GLY 67 -13.033 -0.399 -0.887 512 H GLY 68 H GLY 68 -10.531 -1.626 1.030 513 1HA GLY 68 2HA GLY 68 -8.591 -1.882 -0.946 514 2HA GLY 68 1HA GLY 68 -8.674 -2.848 0.552 515 H TYR 69 H TYR 69 -8.334 -3.105 -2.648 516 HA TYR 69 HA TYR 69 -9.854 -5.598 -2.912 517 1HB TYR 69 2HB TYR 69 -8.868 -3.621 -5.051 518 2HB TYR 69 1HB TYR 69 -9.839 -5.100 -5.370 519 HD1 TYR 69 1HD TYR 69 -11.828 -4.419 -2.890 520 HD2 TYR 69 2HD TYR 69 -10.313 -2.374 -6.295 521 HE1 TYR 69 1HE TYR 69 -13.816 -3.047 -2.944 522 HE2 TYR 69 2HE TYR 69 -12.302 -0.947 -6.320 523 HH TYR 69 HH TYR 69 -14.975 -1.456 -4.056 524 H HIS 70 H HIS 70 -8.648 -7.144 -4.607 525 HA HIS 70 HA HIS 70 -5.811 -6.489 -4.698 526 1HB HIS 70 2HB HIS 70 -5.442 -9.051 -4.855 527 2HB HIS 70 1HB HIS 70 -5.680 -8.316 -3.253 528 HD1 HIS 70 1HD HIS 70 -7.979 -10.159 -5.781 529 HD2 HIS 70 2HD HIS 70 -7.391 -9.581 -1.656 530 HE1 HIS 70 1HE HIS 70 -9.701 -11.503 -4.608 531 H PHE 71 H PHE 71 -4.673 -7.395 -6.525 532 HA PHE 71 HA PHE 71 -6.446 -7.003 -8.805 533 1HB PHE 71 2HB PHE 71 -4.859 -5.623 -9.791 534 2HB PHE 71 1HB PHE 71 -5.197 -5.054 -8.093 535 HD1 PHE 71 1HD PHE 71 -3.432 -3.636 -9.127 536 HD2 PHE 71 2HD PHE 71 -2.687 -7.645 -7.903 537 HE1 PHE 71 1HE PHE 71 -1.026 -3.190 -9.093 538 HE2 PHE 71 2HE PHE 71 -0.303 -7.219 -7.989 539 HZ PHE 71 HZ PHE 71 0.546 -4.982 -8.528 540 H ASP 72 H ASP 72 -5.981 -7.669 -10.902 541 HA ASP 72 HA ASP 72 -4.158 -9.950 -11.047 542 1HB ASP 72 2HB ASP 72 -6.667 -9.834 -12.766 543 2HB ASP 72 1HB ASP 72 -5.654 -11.244 -12.249 544 H LEU 73 H LEU 73 -3.067 -10.195 -13.044 545 HA LEU 73 HA LEU 73 -2.966 -7.711 -14.597 546 1HB LEU 73 2HB LEU 73 -0.870 -8.502 -13.623 547 2HB LEU 73 1HB LEU 73 -1.080 -10.094 -14.385 548 HG LEU 73 HG LEU 73 -0.842 -9.040 -16.645 549 1HD1 LEU 73 1HD1 LEU 73 -1.679 -6.696 -16.141 550 2HD1 LEU 73 2HD1 LEU 73 -0.003 -6.664 -16.810 551 3HD1 LEU 73 3HD1 LEU 73 -0.271 -6.454 -15.045 552 1HD2 LEU 73 1HD2 LEU 73 1.583 -8.530 -16.467 553 2HD2 LEU 73 2HD2 LEU 73 1.141 -9.958 -15.466 554 3HD2 LEU 73 3HD2 LEU 73 1.422 -8.359 -14.679 555 H LYS 74 H LYS 74 -4.262 -7.594 -16.272 556 HA LYS 74 HA LYS 74 -4.926 -9.894 -17.856 557 1HB LYS 74 2HB LYS 74 -5.458 -6.888 -18.102 558 2HB LYS 74 1HB LYS 74 -6.099 -8.100 -19.257 559 1HG LYS 74 2HG LYS 74 -6.708 -8.060 -16.248 560 2HG LYS 74 1HG LYS 74 -7.751 -7.385 -17.540 561 1HD LYS 74 2HD LYS 74 -8.018 -9.621 -18.562 562 2HD LYS 74 1HD LYS 74 -6.922 -10.344 -17.338 563 1HE LYS 74 2HE LYS 74 -8.509 -9.658 -15.503 564 2HE LYS 74 1HE LYS 74 -9.656 -9.026 -16.755 565 1HZ LYS 74 1HZ LYS 74 -10.069 -11.297 -15.954 566 2HZ LYS 74 2HZ LYS 74 -8.649 -11.830 -16.686 567 3HZ LYS 74 3HZ LYS 74 -9.897 -11.187 -17.644 568 H GLY 75 H GLY 75 -2.267 -7.822 -17.755 569 1HA GLY 75 2HA GLY 75 -0.466 -8.497 -19.187 570 2HA GLY 75 1HA GLY 75 -1.606 -8.409 -20.582 571 H ASP 76 H ASP 76 -2.867 -6.211 -20.591 572 HA ASP 76 HA ASP 76 -0.908 -4.126 -20.692 573 1HB ASP 76 2HB ASP 76 -2.796 -2.942 -21.868 574 2HB ASP 76 1HB ASP 76 -2.296 -4.496 -22.623 575 H GLU 77 H GLU 77 -3.341 -5.147 -18.420 576 HA GLU 77 HA GLU 77 -3.059 -2.676 -16.867 577 1HB GLU 77 2HB GLU 77 -5.041 -2.554 -18.595 578 2HB GLU 77 1HB GLU 77 -5.798 -3.760 -17.537 579 1HG GLU 77 2HG GLU 77 -6.582 -1.606 -16.768 580 2HG GLU 77 1HG GLU 77 -5.335 -2.074 -15.561 581 H TRP 78 H TRP 78 -2.905 -3.141 -14.802 582 HA TRP 78 HA TRP 78 -3.723 -5.747 -13.813 583 1HB TRP 78 2HB TRP 78 -2.544 -3.257 -12.462 584 2HB TRP 78 1HB TRP 78 -3.161 -4.686 -11.564 585 HD1 TRP 78 HD TRP 78 -0.125 -3.471 -13.596 586 HE1 TRP 78 1HE TRP 78 1.802 -5.116 -13.093 587 HE3 TRP 78 3HE TRP 78 -2.779 -7.045 -11.191 588 HZ2 TRP 78 2HZ TRP 78 2.111 -7.598 -11.796 589 HZ3 TRP 78 3HZ TRP 78 -1.622 -9.031 -10.337 590 HH2 TRP 78 HH TRP 78 0.783 -9.284 -10.600 591 H ILE 79 H ILE 79 -5.928 -6.038 -13.645 592 HA ILE 79 HA ILE 79 -7.529 -3.675 -13.018 593 HB ILE 79 HB ILE 79 -9.112 -4.256 -14.342 594 1HG1 ILE 79 2HG1 ILE 79 -8.642 -7.218 -13.779 595 2HG1 ILE 79 1HG1 ILE 79 -9.899 -6.161 -13.096 596 1HG2 ILE 79 1HG2 ILE 79 -8.372 -5.193 -16.452 597 2HG2 ILE 79 2HG2 ILE 79 -6.940 -5.955 -15.664 598 3HG2 ILE 79 3HG2 ILE 79 -7.099 -4.161 -15.734 599 1HD1 ILE 79 1HD1 ILE 79 -10.902 -7.514 -14.866 600 2HD1 ILE 79 2HD1 ILE 79 -9.728 -6.888 -16.078 601 3HD1 ILE 79 3HD1 ILE 79 -10.923 -5.775 -15.324 602 H CYS 80 H CYS 80 -9.283 -4.076 -11.428 603 HA CYS 80 HA CYS 80 -8.045 -5.615 -9.353 604 1HB CYS 80 2HB CYS 80 -10.561 -3.941 -9.248 605 2HB CYS 80 1HB CYS 80 -9.751 -4.658 -7.839 606 HG CYS 80 HG CYS 80 -7.421 -3.500 -8.200 607 H ASP 81 H ASP 81 -8.976 -7.416 -8.238 608 HA ASP 81 HA ASP 81 -10.542 -9.162 -9.713 609 1HB ASP 81 2HB ASP 81 -8.759 -9.741 -8.079 610 2HB ASP 81 1HB ASP 81 -9.791 -9.121 -6.738 611 H ARG 82 H ARG 82 -11.324 -7.252 -6.784 612 HA ARG 82 HA ARG 82 -14.071 -7.958 -6.753 613 1HB ARG 82 2HB ARG 82 -12.463 -5.642 -5.581 614 2HB ARG 82 1HB ARG 82 -14.195 -5.848 -5.255 615 1HG ARG 82 2HG ARG 82 -12.113 -7.978 -4.460 616 2HG ARG 82 1HG ARG 82 -12.588 -6.579 -3.466 617 1HD ARG 82 2HD ARG 82 -13.965 -8.221 -2.576 618 2HD ARG 82 1HD ARG 82 -15.066 -7.372 -3.735 619 HE ARG 82 HE ARG 82 -13.522 -9.802 -4.681 620 1HH1 ARG 82 1HH1 ARG 82 -16.753 -8.668 -3.433 621 2HH1 ARG 82 2HH1 ARG 82 -17.459 -10.148 -4.040 622 1HH2 ARG 82 1HH2 ARG 82 -14.733 -11.516 -5.540 623 2HH2 ARG 82 2HH2 ARG 82 -16.409 -11.654 -5.054 624 H SER 83 H SER 83 -15.727 -7.135 -7.873 625 HA SER 83 HA SER 83 -16.953 -5.961 -9.149 626 1HB SER 83 2HB SER 83 -15.113 -3.595 -8.656 627 2HB SER 83 1HB SER 83 -16.657 -3.528 -9.580 628 HG SER 83 HG SER 83 -16.883 -2.955 -7.434 629 H GLY 84 H GLY 84 -13.651 -5.148 -10.031 630 1HA GLY 84 2HA GLY 84 -12.779 -5.867 -12.161 631 2HA GLY 84 1HA GLY 84 -14.360 -5.398 -12.896 632 H GLU 85 H GLU 85 -11.690 -4.088 -10.947 633 HA GLU 85 HA GLU 85 -12.348 -1.406 -12.002 634 1HB GLU 85 2HB GLU 85 -11.154 -2.049 -9.288 635 2HB GLU 85 1HB GLU 85 -11.393 -0.419 -9.940 636 1HG GLU 85 2HG GLU 85 -13.831 -2.247 -9.792 637 2HG GLU 85 1HG GLU 85 -13.117 -1.651 -8.270 638 H THR 86 H THR 86 -9.657 -0.473 -10.788 639 HA THR 86 HA THR 86 -8.053 -1.458 -13.037 640 HB THR 86 HB THR 86 -8.769 1.496 -12.617 641 HG1 THR 86 1HG THR 86 -10.606 0.775 -13.183 642 1HG2 THR 86 1HG2 THR 86 -7.991 1.632 -15.025 643 2HG2 THR 86 2HG2 THR 86 -7.694 -0.142 -15.044 644 3HG2 THR 86 3HG2 THR 86 -6.688 0.934 -14.002 645 H PHE 87 H PHE 87 -5.785 -1.369 -12.435 646 HA PHE 87 HA PHE 87 -5.153 -0.711 -9.940 647 1HB PHE 87 2HB PHE 87 -3.895 -2.140 -11.358 648 2HB PHE 87 1HB PHE 87 -3.485 -0.802 -12.485 649 HD1 PHE 87 1HD PHE 87 -3.197 -0.442 -8.745 650 HD2 PHE 87 2HD PHE 87 -1.258 -1.329 -12.438 651 HE1 PHE 87 1HE PHE 87 -1.037 -0.224 -7.665 652 HE2 PHE 87 2HE PHE 87 0.911 -1.169 -11.334 653 HZ PHE 87 HZ PHE 87 1.033 -0.671 -8.940 654 H TRP 88 H TRP 88 -3.585 1.446 -12.427 655 HA TRP 88 HA TRP 88 -2.779 3.080 -10.394 656 1HB TRP 88 2HB TRP 88 -2.980 3.663 -13.392 657 2HB TRP 88 1HB TRP 88 -1.957 4.518 -12.203 658 HD1 TRP 88 HD TRP 88 -1.916 1.501 -14.483 659 HE1 TRP 88 1HE TRP 88 0.417 0.407 -14.344 660 HE3 TRP 88 3HE TRP 88 -0.186 3.865 -10.339 661 HZ2 TRP 88 2HZ TRP 88 2.719 0.650 -12.761 662 HZ3 TRP 88 3HZ TRP 88 2.060 3.312 -9.518 663 HH2 TRP 88 HH TRP 88 3.489 1.758 -10.710 664 H ASP 89 H ASP 89 -5.607 3.140 -12.313 665 HA ASP 89 HA ASP 89 -6.324 5.858 -11.814 666 1HB ASP 89 2HB ASP 89 -6.843 4.427 -13.869 667 2HB ASP 89 1HB ASP 89 -8.098 3.594 -12.885 668 H LEU 90 H LEU 90 -7.253 2.713 -10.284 669 HA LEU 90 HA LEU 90 -9.163 3.888 -8.618 670 1HB LEU 90 2HB LEU 90 -9.071 1.465 -9.108 671 2HB LEU 90 1HB LEU 90 -7.471 1.354 -8.336 672 HG LEU 90 HG LEU 90 -8.556 2.092 -6.144 673 1HD1 LEU 90 1HD1 LEU 90 -10.673 3.108 -6.962 674 2HD1 LEU 90 2HD1 LEU 90 -11.057 1.652 -5.965 675 3HD1 LEU 90 3HD1 LEU 90 -11.149 1.557 -7.760 676 1HD2 LEU 90 1HD2 LEU 90 -9.435 -0.165 -5.655 677 2HD2 LEU 90 2HD2 LEU 90 -7.947 -0.267 -6.663 678 3HD2 LEU 90 3HD2 LEU 90 -9.572 -0.514 -7.421 679 H LEU 91 H LEU 91 -5.788 2.943 -8.335 680 HA LEU 91 HA LEU 91 -5.103 3.745 -5.822 681 1HB LEU 91 2HB LEU 91 -3.753 2.386 -7.281 682 2HB LEU 91 1HB LEU 91 -3.577 3.696 -8.467 683 HG LEU 91 HG LEU 91 -2.512 4.111 -5.648 684 1HD1 LEU 91 1HD1 LEU 91 -1.121 2.470 -7.865 685 2HD1 LEU 91 2HD1 LEU 91 -1.670 1.853 -6.260 686 3HD1 LEU 91 3HD1 LEU 91 -0.335 3.056 -6.353 687 1HD2 LEU 91 1HD2 LEU 91 -1.538 4.948 -8.474 688 2HD2 LEU 91 2HD2 LEU 91 -0.736 5.373 -6.915 689 3HD2 LEU 91 3HD2 LEU 91 -2.362 6.028 -7.285 690 H GLU 92 H GLU 92 -4.996 5.768 -8.776 691 HA GLU 92 HA GLU 92 -4.424 8.184 -7.643 692 1HB GLU 92 2HB GLU 92 -4.567 7.836 -10.079 693 2HB GLU 92 1HB GLU 92 -6.306 7.479 -9.941 694 1HG GLU 92 2HG GLU 92 -6.607 9.937 -9.053 695 2HG GLU 92 1HG GLU 92 -4.909 10.200 -9.571 696 H GLN 93 H GLN 93 -7.746 6.847 -8.145 697 HA GLN 93 HA GLN 93 -9.144 8.958 -7.173 698 1HB GLN 93 2HB GLN 93 -10.012 6.915 -8.341 699 2HB GLN 93 1HB GLN 93 -9.735 5.964 -6.861 700 1HG GLN 93 2HG GLN 93 -11.404 7.374 -5.617 701 2HG GLN 93 1HG GLN 93 -11.665 8.368 -7.086 702 1HE2 GLN 93 1HE2 GLN 93 -11.185 5.083 -8.018 703 2HE2 GLN 93 2HE2 GLN 93 -12.856 4.602 -8.063 704 H ALA 94 H ALA 94 -8.084 6.104 -5.338 705 HA ALA 94 HA ALA 94 -9.143 6.956 -2.892 706 1HB ALA 94 1HB ALA 94 -7.915 5.020 -1.991 707 2HB ALA 94 2HB ALA 94 -6.919 4.932 -3.503 708 3HB ALA 94 3HB ALA 94 -8.682 4.590 -3.560 709 H ALA 95 H ALA 95 -5.802 7.255 -4.208 710 HA ALA 95 HA ALA 95 -4.762 8.411 -1.871 711 1HB ALA 95 1HB ALA 95 -3.356 7.340 -3.610 712 2HB ALA 95 2HB ALA 95 -2.846 9.040 -3.360 713 3HB ALA 95 3HB ALA 95 -3.842 8.595 -4.803 714 H THR 96 H THR 96 -6.275 9.791 -4.751 715 HA THR 96 HA THR 96 -5.828 12.470 -4.200 716 HB THR 96 HB THR 96 -8.115 11.124 -5.673 717 HG1 THR 96 1HG THR 96 -6.258 10.773 -6.667 718 1HG2 THR 96 1HG2 THR 96 -7.236 14.090 -5.616 719 2HG2 THR 96 2HG2 THR 96 -8.831 13.440 -5.088 720 3HG2 THR 96 3HG2 THR 96 -8.357 13.361 -6.817 721 H GLN 97 H GLN 97 -8.591 10.391 -3.231 722 HA GLN 97 HA GLN 97 -9.671 12.587 -1.740 723 1HB GLN 97 2HB GLN 97 -11.481 11.242 -1.103 724 2HB GLN 97 1HB GLN 97 -11.124 11.090 -2.846 725 1HG GLN 97 2HG GLN 97 -9.949 8.877 -2.341 726 2HG GLN 97 1HG GLN 97 -10.575 8.943 -0.663 727 1HE2 GLN 97 1HE2 GLN 97 -11.594 6.853 -1.451 728 2HE2 GLN 97 2HE2 GLN 97 -13.002 6.886 -2.443 729 H GLN 98 H GLN 98 -7.246 10.300 -0.964 730 HA GLN 98 HA GLN 98 -7.435 10.817 1.855 731 1HB GLN 98 2HB GLN 98 -5.353 9.619 0.024 732 2HB GLN 98 1HB GLN 98 -4.949 9.978 1.716 733 1HG GLN 98 2HG GLN 98 -7.437 8.312 1.066 734 2HG GLN 98 1HG GLN 98 -5.802 7.579 0.988 735 1HE2 GLN 98 1HE2 GLN 98 -7.941 9.427 3.336 736 2HE2 GLN 98 2HE2 GLN 98 -7.212 8.654 4.719 737 H ALA 99 H ALA 99 -5.370 12.142 -0.790 738 HA ALA 99 HA ALA 99 -4.123 13.915 1.042 739 1HB ALA 99 1HB ALA 99 -2.971 12.898 -0.925 740 2HB ALA 99 2HB ALA 99 -2.904 14.694 -0.993 741 3HB ALA 99 3HB ALA 99 -4.074 13.787 -2.028 742 H GLY 100 H GLY 100 -6.628 14.385 -1.459 743 1HA GLY 100 2HA GLY 100 -8.095 16.087 -1.573 744 2HA GLY 100 1HA GLY 100 -7.089 17.084 -0.468 745 H GLU 101 H GLU 101 -5.615 15.426 -3.164 746 HA GLU 101 HA GLU 101 -6.044 17.419 -5.072 747 1HB GLU 101 2HB GLU 101 -3.757 18.169 -5.454 748 2HB GLU 101 1HB GLU 101 -4.297 18.655 -3.825 749 1HG GLU 101 2HG GLU 101 -3.003 16.722 -2.832 750 2HG GLU 101 1HG GLU 101 -2.384 16.317 -4.477 751 H THR 102 H THR 102 -4.816 16.674 -7.150 752 HA THR 102 HA THR 102 -5.415 13.944 -7.311 753 HB THR 102 HB THR 102 -4.016 15.621 -9.402 754 HG1 THR 102 1HG THR 102 -5.993 16.459 -8.881 755 1HG2 THR 102 1HG2 THR 102 -5.052 13.906 -10.943 756 2HG2 THR 102 2HG2 THR 102 -5.612 12.960 -9.517 757 3HG2 THR 102 3HG2 THR 102 -3.852 13.139 -9.866 758 H VAL 103 H VAL 103 -4.158 12.470 -6.298 759 HA VAL 103 HA VAL 103 -1.263 12.672 -6.612 760 HB VAL 103 HB VAL 103 -2.761 10.650 -5.003 761 1HG1 VAL 103 1HG1 VAL 103 -0.566 10.572 -3.762 762 2HG1 VAL 103 2HG1 VAL 103 0.085 11.904 -4.783 763 3HG1 VAL 103 3HG1 VAL 103 -0.243 10.290 -5.509 764 1HG2 VAL 103 1HG2 VAL 103 -1.877 13.500 -4.197 765 2HG2 VAL 103 2HG2 VAL 103 -2.242 12.182 -3.022 766 3HG2 VAL 103 3HG2 VAL 103 -3.536 12.780 -4.106 767 H SER 104 H SER 104 -1.126 12.164 -8.722 768 HA SER 104 HA SER 104 -1.985 9.485 -9.586 769 1HB SER 104 2HB SER 104 -1.962 10.450 -11.916 770 2HB SER 104 1HB SER 104 -3.189 11.141 -10.811 771 HG SER 104 HG SER 104 -2.083 12.658 -12.052 772 H PHE 105 H PHE 105 -0.752 8.206 -11.006 773 HA PHE 105 HA PHE 105 2.051 8.920 -11.347 774 1HB PHE 105 2HB PHE 105 0.377 6.337 -11.636 775 2HB PHE 105 1HB PHE 105 2.046 6.524 -12.298 776 HD1 PHE 105 1HD PHE 105 0.224 6.916 -9.021 777 HD2 PHE 105 2HD PHE 105 3.767 5.868 -11.121 778 HE1 PHE 105 1HE PHE 105 1.279 6.245 -6.917 779 HE2 PHE 105 2HE PHE 105 4.798 5.142 -9.046 780 HZ PHE 105 HZ PHE 105 3.570 5.370 -6.912 781 H ARG 106 H ARG 106 -1.060 8.437 -13.038 782 HA ARG 106 HA ARG 106 0.341 8.617 -15.590 783 1HB ARG 106 2HB ARG 106 -2.604 7.997 -15.096 784 2HB ARG 106 1HB ARG 106 -1.748 8.018 -16.656 785 1HG ARG 106 2HG ARG 106 -1.307 6.023 -14.348 786 2HG ARG 106 1HG ARG 106 -2.166 5.760 -15.896 787 1HD ARG 106 2HD ARG 106 0.114 6.344 -17.071 788 2HD ARG 106 1HD ARG 106 0.853 6.152 -15.423 789 HE ARG 106 HE ARG 106 -0.957 3.944 -16.225 790 1HH1 ARG 106 1HH1 ARG 106 2.352 5.197 -16.700 791 2HH1 ARG 106 2HH1 ARG 106 2.948 3.670 -17.248 792 1HH2 ARG 106 1HH2 ARG 106 -0.058 1.904 -16.773 793 2HH2 ARG 106 2HH2 ARG 106 1.647 1.708 -16.907 Start of MODEL 10 1 HA MET 1 HA MET 1 6.306 -22.115 -11.209 2 1HB MET 1 2HB MET 1 7.311 -21.493 -8.372 3 2HB MET 1 1HB MET 1 5.766 -22.314 -8.773 4 1HG MET 1 2HG MET 1 7.081 -24.172 -9.841 5 2HG MET 1 1HG MET 1 8.586 -23.422 -9.251 6 1HE MET 1 1HE MET 1 7.931 -22.280 -6.368 7 2HE MET 1 2HE MET 1 9.369 -23.215 -6.911 8 3HE MET 1 3HE MET 1 8.484 -23.699 -5.426 9 H ASN 2 H ASN 2 4.613 -20.864 -9.410 10 HA ASN 2 HA ASN 2 4.204 -18.302 -10.355 11 1HB ASN 2 2HB ASN 2 2.553 -18.091 -8.524 12 2HB ASN 2 1HB ASN 2 2.384 -19.615 -9.449 13 1HD2 ASN 2 1HD2 ASN 2 1.258 -19.184 -6.891 14 2HD2 ASN 2 2HD2 ASN 2 2.012 -20.294 -5.783 15 H ASP 3 H ASP 3 5.929 -19.440 -7.551 16 HA ASP 3 HA ASP 3 6.340 -17.155 -6.155 17 1HB ASP 3 2HB ASP 3 6.800 -19.586 -5.577 18 2HB ASP 3 1HB ASP 3 8.285 -19.524 -6.586 19 H SER 4 H SER 4 8.611 -18.495 -8.611 20 HA SER 4 HA SER 4 10.433 -16.515 -8.690 21 1HB SER 4 2HB SER 4 9.307 -18.205 -10.995 22 2HB SER 4 1HB SER 4 10.853 -17.292 -11.068 23 HG SER 4 HG SER 4 11.732 -18.658 -9.737 24 H GLU 5 H GLU 5 7.529 -16.754 -10.744 25 HA GLU 5 HA GLU 5 8.009 -14.419 -12.180 26 1HB GLU 5 2HB GLU 5 5.539 -16.130 -11.638 27 2HB GLU 5 1HB GLU 5 5.495 -14.749 -12.779 28 1HG GLU 5 2HG GLU 5 7.541 -17.041 -13.097 29 2HG GLU 5 1HG GLU 5 5.868 -17.135 -13.743 30 H PHE 6 H PHE 6 5.684 -14.972 -9.428 31 HA PHE 6 HA PHE 6 4.962 -12.333 -9.287 32 1HB PHE 6 2HB PHE 6 3.818 -14.384 -8.272 33 2HB PHE 6 1HB PHE 6 5.084 -14.399 -7.008 34 HD1 PHE 6 1HD PHE 6 2.976 -11.732 -8.671 35 HD2 PHE 6 2HD PHE 6 4.256 -13.569 -5.059 36 HE1 PHE 6 1HE PHE 6 1.614 -10.158 -7.399 37 HE2 PHE 6 2HE PHE 6 2.877 -12.006 -3.776 38 HZ PHE 6 HZ PHE 6 1.549 -10.295 -4.950 39 H HIS 7 H HIS 7 7.821 -13.918 -7.713 40 HA HIS 7 HA HIS 7 8.443 -11.709 -6.135 41 1HB HIS 7 2HB HIS 7 9.277 -13.882 -5.588 42 2HB HIS 7 1HB HIS 7 9.850 -14.148 -7.255 43 HD1 HIS 7 1HD HIS 7 10.992 -11.488 -4.628 44 HD2 HIS 7 2HD HIS 7 12.309 -14.393 -7.334 45 HE1 HIS 7 1HE HIS 7 13.480 -11.538 -4.428 46 H ARG 8 H ARG 8 9.322 -12.526 -9.491 47 HA ARG 8 HA ARG 8 11.101 -10.447 -9.948 48 1HB ARG 8 2HB ARG 8 10.589 -12.498 -11.370 49 2HB ARG 8 1HB ARG 8 9.054 -11.749 -11.831 50 1HG ARG 8 2HG ARG 8 10.521 -11.476 -13.620 51 2HG ARG 8 1HG ARG 8 10.357 -9.842 -12.941 52 1HD ARG 8 2HD ARG 8 12.682 -11.581 -11.954 53 2HD ARG 8 1HD ARG 8 12.741 -11.071 -13.668 54 HE ARG 8 HE ARG 8 12.978 -9.311 -11.281 55 1HH1 ARG 8 1HH1 ARG 8 12.830 -9.469 -14.886 56 2HH1 ARG 8 2HH1 ARG 8 13.510 -7.884 -15.010 57 1HH2 ARG 8 1HH2 ARG 8 13.638 -7.137 -11.612 58 2HH2 ARG 8 2HH2 ARG 8 13.915 -6.577 -13.205 59 H LEU 9 H LEU 9 7.572 -10.617 -10.607 60 HA LEU 9 HA LEU 9 7.220 -7.987 -11.359 61 1HB LEU 9 2HB LEU 9 5.405 -10.046 -10.006 62 2HB LEU 9 1HB LEU 9 4.801 -8.467 -10.590 63 HG LEU 9 HG LEU 9 6.157 -10.534 -12.399 64 1HD1 LEU 9 1HD1 LEU 9 3.862 -11.106 -13.176 65 2HD1 LEU 9 2HD1 LEU 9 3.151 -10.006 -11.940 66 3HD1 LEU 9 3HD1 LEU 9 4.070 -11.477 -11.426 67 1HD2 LEU 9 1HD2 LEU 9 5.069 -9.225 -14.239 68 2HD2 LEU 9 2HD2 LEU 9 6.243 -8.216 -13.326 69 3HD2 LEU 9 3HD2 LEU 9 4.470 -8.026 -13.037 70 H ALA 10 H ALA 10 6.877 -9.430 -8.103 71 HA ALA 10 HA ALA 10 5.943 -7.249 -6.791 72 1HB ALA 10 1HB ALA 10 5.928 -9.563 -5.893 73 2HB ALA 10 2HB ALA 10 6.672 -8.406 -4.731 74 3HB ALA 10 3HB ALA 10 7.718 -9.505 -5.713 75 H ASP 11 H ASP 11 9.440 -8.187 -7.107 76 HA ASP 11 HA ASP 11 10.335 -5.912 -5.744 77 1HB ASP 11 2HB ASP 11 11.493 -7.983 -7.629 78 2HB ASP 11 1HB ASP 11 12.425 -6.454 -7.416 79 H GLN 12 H GLN 12 9.952 -6.359 -9.355 80 HA GLN 12 HA GLN 12 10.707 -3.813 -9.906 81 1HB GLN 12 2HB GLN 12 8.644 -5.562 -11.326 82 2HB GLN 12 1HB GLN 12 9.350 -4.051 -11.999 83 1HG GLN 12 2HG GLN 12 11.678 -5.089 -11.602 84 2HG GLN 12 1HG GLN 12 10.884 -6.653 -11.300 85 1HE2 GLN 12 1HE2 GLN 12 9.646 -7.649 -12.980 86 2HE2 GLN 12 2HE2 GLN 12 9.717 -7.147 -14.650 87 H LEU 13 H LEU 13 7.257 -4.744 -9.148 88 HA LEU 13 HA LEU 13 6.381 -2.144 -9.554 89 1HB LEU 13 2HB LEU 13 4.364 -2.828 -8.474 90 2HB LEU 13 1HB LEU 13 4.868 -3.920 -9.815 91 HG LEU 13 HG LEU 13 5.856 -5.303 -7.695 92 1HD1 LEU 13 1HD1 LEU 13 3.235 -4.149 -6.541 93 2HD1 LEU 13 2HD1 LEU 13 4.868 -3.558 -6.053 94 3HD1 LEU 13 3HD1 LEU 13 4.403 -5.277 -5.764 95 1HD2 LEU 13 1HD2 LEU 13 2.920 -5.379 -8.672 96 2HD2 LEU 13 2HD2 LEU 13 3.798 -6.720 -7.843 97 3HD2 LEU 13 3HD2 LEU 13 4.329 -6.171 -9.474 98 H TRP 14 H TRP 14 7.526 -3.747 -6.585 99 HA TRP 14 HA TRP 14 7.141 -1.645 -4.860 100 1HB TRP 14 2HB TRP 14 9.603 -3.443 -5.017 101 2HB TRP 14 1HB TRP 14 9.283 -2.286 -3.706 102 HD1 TRP 14 HD TRP 14 9.972 -5.067 -2.990 103 HE1 TRP 14 1HE TRP 14 8.421 -6.274 -1.360 104 HE3 TRP 14 3HE TRP 14 5.587 -2.747 -4.165 105 HZ2 TRP 14 2HZ TRP 14 5.611 -6.568 -1.020 106 HZ3 TRP 14 3HZ TRP 14 3.545 -3.523 -3.150 107 HH2 TRP 14 HH TRP 14 3.534 -5.398 -1.579 108 H LEU 15 H LEU 15 10.097 -1.999 -6.897 109 HA LEU 15 HA LEU 15 11.205 0.389 -6.128 110 1HB LEU 15 2HB LEU 15 11.324 -0.691 -8.999 111 2HB LEU 15 1HB LEU 15 12.515 0.369 -8.190 112 HG LEU 15 HG LEU 15 11.843 -2.523 -7.529 113 1HD1 LEU 15 1HD1 LEU 15 14.107 -3.061 -8.469 114 2HD1 LEU 15 2HD1 LEU 15 14.323 -1.330 -8.924 115 3HD1 LEU 15 3HD1 LEU 15 13.018 -2.315 -9.695 116 1HD2 LEU 15 1HD2 LEU 15 14.116 -0.767 -6.371 117 2HD2 LEU 15 2HD2 LEU 15 13.889 -2.526 -6.065 118 3HD2 LEU 15 3HD2 LEU 15 12.667 -1.349 -5.461 119 H THR 16 H THR 16 9.008 -0.270 -8.708 120 HA THR 16 HA THR 16 8.907 2.240 -9.893 121 HB THR 16 HB THR 16 6.491 0.407 -9.759 122 HG1 THR 16 1HG THR 16 8.228 -0.763 -10.478 123 1HG2 THR 16 1HG2 THR 16 6.122 2.710 -10.793 124 2HG2 THR 16 2HG2 THR 16 6.110 1.415 -12.042 125 3HG2 THR 16 3HG2 THR 16 7.566 2.446 -11.839 126 H ILE 17 H ILE 17 6.607 0.959 -7.449 127 HA ILE 17 HA ILE 17 5.137 3.261 -7.106 128 HB ILE 17 HB ILE 17 5.764 0.888 -5.343 129 1HG1 ILE 17 2HG1 ILE 17 3.195 1.575 -6.869 130 2HG1 ILE 17 1HG1 ILE 17 4.502 0.607 -7.606 131 1HG2 ILE 17 1HG2 ILE 17 5.015 2.732 -3.830 132 2HG2 ILE 17 2HG2 ILE 17 3.688 1.562 -4.044 133 3HG2 ILE 17 3HG2 ILE 17 3.643 3.108 -4.951 134 1HD1 ILE 17 1HD1 ILE 17 2.818 -0.898 -6.678 135 2HD1 ILE 17 2HD1 ILE 17 2.934 -0.138 -5.054 136 3HD1 ILE 17 3HD1 ILE 17 4.341 -1.061 -5.717 137 H GLU 18 H GLU 18 8.056 2.130 -5.256 138 HA GLU 18 HA GLU 18 8.143 4.031 -3.359 139 1HB GLU 18 2HB GLU 18 10.171 2.350 -4.888 140 2HB GLU 18 1HB GLU 18 10.712 3.568 -3.704 141 1HG GLU 18 2HG GLU 18 9.199 2.466 -1.958 142 2HG GLU 18 1HG GLU 18 8.946 1.107 -3.110 143 H GLU 19 H GLU 19 9.859 4.058 -6.511 144 HA GLU 19 HA GLU 19 10.842 6.614 -6.395 145 1HB GLU 19 2HB GLU 19 10.521 4.494 -8.388 146 2HB GLU 19 1HB GLU 19 10.118 6.043 -9.138 147 1HG GLU 19 2HG GLU 19 12.347 6.030 -9.571 148 2HG GLU 19 1HG GLU 19 12.348 6.952 -8.034 149 H ARG 20 H ARG 20 7.768 5.566 -7.897 150 HA ARG 20 HA ARG 20 7.181 7.988 -8.988 151 1HB ARG 20 2HB ARG 20 6.245 5.700 -9.505 152 2HB ARG 20 1HB ARG 20 5.152 5.884 -8.110 153 1HG ARG 20 2HG ARG 20 4.082 6.357 -10.270 154 2HG ARG 20 1HG ARG 20 4.046 7.825 -9.251 155 1HD ARG 20 2HD ARG 20 5.639 8.971 -10.599 156 2HD ARG 20 1HD ARG 20 6.311 7.460 -11.294 157 HE ARG 20 HE ARG 20 3.724 8.800 -12.090 158 1HH1 ARG 20 1HH1 ARG 20 6.082 6.135 -12.725 159 2HH1 ARG 20 2HH1 ARG 20 5.415 5.858 -14.293 160 1HH2 ARG 20 1HH2 ARG 20 2.908 8.309 -14.123 161 2HH2 ARG 20 2HH2 ARG 20 3.840 7.280 -15.178 162 H LEU 21 H LEU 21 5.956 6.814 -5.788 163 HA LEU 21 HA LEU 21 4.711 9.396 -5.526 164 1HB LEU 21 2HB LEU 21 4.124 6.934 -4.404 165 2HB LEU 21 1HB LEU 21 4.670 7.926 -3.029 166 HG LEU 21 HG LEU 21 2.488 8.619 -5.072 167 1HD1 LEU 21 1HD1 LEU 21 1.906 6.841 -3.330 168 2HD1 LEU 21 2HD1 LEU 21 0.877 8.324 -3.264 169 3HD1 LEU 21 3HD1 LEU 21 2.188 8.087 -2.055 170 1HD2 LEU 21 1HD2 LEU 21 3.499 10.762 -4.346 171 2HD2 LEU 21 2HD2 LEU 21 3.418 10.244 -2.622 172 3HD2 LEU 21 3HD2 LEU 21 1.902 10.552 -3.545 173 H ASP 22 H ASP 22 7.754 7.979 -4.220 174 HA ASP 22 HA ASP 22 8.306 9.998 -2.476 175 1HB ASP 22 2HB ASP 22 9.537 7.893 -2.689 176 2HB ASP 22 1HB ASP 22 10.219 8.423 -4.256 177 H ASP 23 H ASP 23 9.025 9.915 -5.964 178 HA ASP 23 HA ASP 23 10.547 12.085 -6.222 179 1HB ASP 23 2HB ASP 23 10.080 10.242 -7.824 180 2HB ASP 23 1HB ASP 23 8.467 10.925 -8.177 181 H TRP 24 H TRP 24 7.014 12.146 -6.332 182 HA TRP 24 HA TRP 24 6.513 14.350 -7.679 183 1HB TRP 24 2HB TRP 24 4.866 12.740 -6.911 184 2HB TRP 24 1HB TRP 24 5.065 13.269 -5.218 185 HD1 TRP 24 HD TRP 24 3.312 15.093 -4.447 186 HE1 TRP 24 1HE TRP 24 1.603 16.585 -5.641 187 HE3 TRP 24 3HE TRP 24 4.618 14.066 -9.246 188 HZ2 TRP 24 2HZ TRP 24 0.921 17.244 -8.308 189 HZ3 TRP 24 3HZ TRP 24 3.397 15.151 -11.061 190 HH2 TRP 24 HH TRP 24 1.585 16.713 -10.608 191 H ASP 25 H ASP 25 6.573 14.540 -4.123 192 HA ASP 25 HA ASP 25 6.944 16.126 -2.727 193 1HB ASP 25 2HB ASP 25 9.189 15.616 -3.717 194 2HB ASP 25 1HB ASP 25 9.019 17.078 -4.744 195 H GLY 26 H GLY 26 4.764 16.864 -3.105 196 1HA GLY 26 2HA GLY 26 4.576 19.429 -4.502 197 2HA GLY 26 1HA GLY 26 3.265 18.342 -3.954 198 H ASP 27 H ASP 27 2.028 19.602 -2.773 199 HA ASP 27 HA ASP 27 3.016 21.489 -0.867 200 1HB ASP 27 2HB ASP 27 0.484 20.668 -2.172 201 2HB ASP 27 1HB ASP 27 0.236 20.745 -0.407 202 H SER 28 H SER 28 1.969 18.157 -0.966 203 HA SER 28 HA SER 28 2.022 17.921 1.925 204 1HB SER 28 2HB SER 28 1.344 15.961 -0.317 205 2HB SER 28 1HB SER 28 1.453 15.467 1.408 206 HG SER 28 HG SER 28 -0.360 17.285 0.228 207 H ASP 29 H ASP 29 3.395 16.676 3.141 208 HA ASP 29 HA ASP 29 5.932 16.013 2.064 209 1HB ASP 29 2HB ASP 29 5.317 16.948 4.384 210 2HB ASP 29 1HB ASP 29 4.784 15.290 4.812 211 H ILE 30 H ILE 30 6.756 13.747 2.874 212 HA ILE 30 HA ILE 30 5.076 11.614 1.960 213 HB ILE 30 HB ILE 30 5.471 12.623 -0.143 214 1HG1 ILE 30 2HG1 ILE 30 6.743 10.939 -1.360 215 2HG1 ILE 30 1HG1 ILE 30 7.429 10.272 0.142 216 1HG2 ILE 30 1HG2 ILE 30 7.346 14.130 0.398 217 2HG2 ILE 30 2HG2 ILE 30 7.777 13.105 -1.006 218 3HG2 ILE 30 3HG2 ILE 30 8.467 12.734 0.594 219 1HD1 ILE 30 1HD1 ILE 30 4.408 10.377 -0.558 220 2HD1 ILE 30 2HD1 ILE 30 5.129 9.553 0.878 221 3HD1 ILE 30 3HD1 ILE 30 5.475 8.945 -0.778 222 H ASP 31 H ASP 31 5.576 10.150 3.355 223 HA ASP 31 HA ASP 31 8.410 9.396 3.485 224 1HB ASP 31 2HB ASP 31 7.309 10.611 5.602 225 2HB ASP 31 1HB ASP 31 6.597 8.996 5.919 226 H CYS 32 H CYS 32 8.421 7.692 2.053 227 HA CYS 32 HA CYS 32 6.293 5.816 2.115 228 1HB CYS 32 2HB CYS 32 7.421 5.128 0.024 229 2HB CYS 32 1HB CYS 32 7.084 6.846 0.119 230 HG CYS 32 HG CYS 32 9.901 5.222 0.483 231 H GLU 33 H GLU 33 6.258 3.978 3.208 232 HA GLU 33 HA GLU 33 8.624 3.181 4.691 233 1HB GLU 33 2HB GLU 33 5.798 2.068 4.677 234 2HB GLU 33 1HB GLU 33 7.062 1.590 5.819 235 1HG GLU 33 2HG GLU 33 6.093 4.527 5.669 236 2HG GLU 33 1HG GLU 33 5.186 3.264 6.556 237 H ILE 34 H ILE 34 9.815 1.277 4.305 238 HA ILE 34 HA ILE 34 8.860 -0.562 2.312 239 HB ILE 34 HB ILE 34 10.311 0.714 1.127 240 1HG1 ILE 34 2HG1 ILE 34 12.495 -0.518 0.931 241 2HG1 ILE 34 1HG1 ILE 34 12.085 -1.455 2.386 242 1HG2 ILE 34 1HG2 ILE 34 12.176 0.935 3.586 243 2HG2 ILE 34 2HG2 ILE 34 11.186 2.260 2.857 244 3HG2 ILE 34 3HG2 ILE 34 12.544 1.548 1.943 245 1HD1 ILE 34 1HD1 ILE 34 10.052 -2.403 1.153 246 2HD1 ILE 34 2HD1 ILE 34 11.592 -2.737 0.289 247 3HD1 ILE 34 3HD1 ILE 34 10.516 -1.416 -0.288 248 H ASN 35 H ASN 35 8.556 -2.307 3.324 249 HA ASN 35 HA ASN 35 10.814 -3.390 4.806 250 1HB ASN 35 2HB ASN 35 9.037 -2.195 6.349 251 2HB ASN 35 1HB ASN 35 8.101 -3.708 6.186 252 1HD2 ASN 35 1HD2 ASN 35 9.616 -2.338 8.457 253 2HD2 ASN 35 2HD2 ASN 35 10.721 -3.525 9.086 254 H GLY 36 H GLY 36 11.058 -4.587 2.925 255 1HA GLY 36 2HA GLY 36 11.169 -6.509 1.937 256 2HA GLY 36 1HA GLY 36 10.296 -7.177 3.342 257 H GLY 37 H GLY 37 7.929 -6.856 3.226 258 1HA GLY 37 2HA GLY 37 6.894 -7.500 0.538 259 2HA GLY 37 1HA GLY 37 6.390 -8.310 2.062 260 H VAL 38 H VAL 38 6.843 -5.192 2.974 261 HA VAL 38 HA VAL 38 4.056 -4.480 2.359 262 HB VAL 38 HB VAL 38 5.582 -3.833 4.896 263 1HG1 VAL 38 1HG1 VAL 38 3.757 -2.187 4.276 264 2HG1 VAL 38 2HG1 VAL 38 3.273 -3.200 5.676 265 3HG1 VAL 38 3HG1 VAL 38 2.615 -3.558 4.038 266 1HG2 VAL 38 1HG2 VAL 38 4.054 -5.478 5.988 267 2HG2 VAL 38 2HG2 VAL 38 5.164 -6.289 4.836 268 3HG2 VAL 38 3HG2 VAL 38 3.441 -5.991 4.378 269 H LEU 39 H LEU 39 3.881 -2.563 1.181 270 HA LEU 39 HA LEU 39 5.853 -0.512 1.817 271 1HB LEU 39 2HB LEU 39 4.098 -0.844 -0.679 272 2HB LEU 39 1HB LEU 39 5.038 0.616 -0.269 273 HG LEU 39 HG LEU 39 6.152 -2.132 -0.971 274 1HD1 LEU 39 1HD1 LEU 39 7.123 -0.815 -2.929 275 2HD1 LEU 39 2HD1 LEU 39 6.295 0.662 -2.324 276 3HD1 LEU 39 3HD1 LEU 39 5.312 -0.732 -2.907 277 1HD2 LEU 39 1HD2 LEU 39 8.428 -1.089 -0.912 278 2HD2 LEU 39 2HD2 LEU 39 7.672 -1.163 0.724 279 3HD2 LEU 39 3HD2 LEU 39 7.729 0.399 -0.186 280 H THR 40 H THR 40 5.091 1.284 2.704 281 HA THR 40 HA THR 40 2.178 1.628 2.743 282 HB THR 40 HB THR 40 3.422 2.375 5.326 283 HG1 THR 40 1HG THR 40 3.312 0.231 6.059 284 1HG2 THR 40 1HG2 THR 40 0.929 2.370 4.732 285 2HG2 THR 40 2HG2 THR 40 1.325 1.315 6.141 286 3HG2 THR 40 3HG2 THR 40 1.035 0.577 4.526 287 H ILE 41 H ILE 41 1.845 3.503 1.743 288 HA ILE 41 HA ILE 41 4.130 5.345 1.809 289 HB ILE 41 HB ILE 41 1.820 5.613 -0.077 290 1HG1 ILE 41 2HG1 ILE 41 4.318 3.898 -0.563 291 2HG1 ILE 41 1HG1 ILE 41 2.686 3.230 -0.236 292 1HG2 ILE 41 1HG2 ILE 41 4.827 6.359 -0.052 293 2HG2 ILE 41 2HG2 ILE 41 3.452 7.508 0.205 294 3HG2 ILE 41 3HG2 ILE 41 3.701 6.706 -1.389 295 1HD1 ILE 41 1HD1 ILE 41 1.807 4.624 -2.226 296 2HD1 ILE 41 2HD1 ILE 41 2.851 3.214 -2.590 297 3HD1 ILE 41 3HD1 ILE 41 3.538 4.880 -2.672 298 H THR 42 H THR 42 4.026 7.061 3.191 299 HA THR 42 HA THR 42 1.341 7.752 4.159 300 HB THR 42 HB THR 42 3.974 8.050 5.619 301 HG1 THR 42 1HG THR 42 3.534 5.898 5.268 302 1HG2 THR 42 1HG2 THR 42 2.098 9.507 6.463 303 2HG2 THR 42 2HG2 THR 42 2.421 8.155 7.596 304 3HG2 THR 42 3HG2 THR 42 0.996 8.075 6.498 305 H PHE 43 H PHE 43 0.656 9.781 4.048 306 HA PHE 43 HA PHE 43 2.622 11.882 3.559 307 1HB PHE 43 2HB PHE 43 0.569 13.029 2.259 308 2HB PHE 43 1HB PHE 43 1.840 12.037 1.515 309 HD1 PHE 43 1HD PHE 43 1.469 9.772 0.839 310 HD2 PHE 43 2HD PHE 43 -1.679 12.186 2.338 311 HE1 PHE 43 1HE PHE 43 -0.159 8.241 -0.150 312 HE2 PHE 43 2HE PHE 43 -3.320 10.669 1.332 313 HZ PHE 43 HZ PHE 43 -2.573 8.693 0.091 314 H GLU 44 H GLU 44 1.527 14.152 3.878 315 HA GLU 44 HA GLU 44 1.998 14.375 6.436 316 1HB GLU 44 2HB GLU 44 2.055 16.615 5.910 317 2HB GLU 44 1HB GLU 44 2.213 15.792 4.346 318 1HG GLU 44 2HG GLU 44 0.684 17.151 3.522 319 2HG GLU 44 1HG GLU 44 -0.563 16.215 4.373 320 H ASN 45 H ASN 45 -1.185 14.309 5.070 321 HA ASN 45 HA ASN 45 -2.571 15.323 7.271 322 1HB ASN 45 2HB ASN 45 -3.190 14.935 4.742 323 2HB ASN 45 1HB ASN 45 -3.702 13.303 5.244 324 1HD2 ASN 45 1HD2 ASN 45 -5.245 13.582 7.457 325 2HD2 ASN 45 2HD2 ASN 45 -6.592 14.619 7.066 326 H GLY 46 H GLY 46 -0.951 12.355 7.046 327 1HA GLY 46 2HA GLY 46 -0.993 10.529 8.375 328 2HA GLY 46 1HA GLY 46 -2.410 11.193 9.265 329 H SER 47 H SER 47 -1.912 10.731 5.803 330 HA SER 47 HA SER 47 -4.086 8.746 5.699 331 1HB SER 47 2HB SER 47 -3.443 10.995 3.705 332 2HB SER 47 1HB SER 47 -4.593 9.644 3.402 333 HG SER 47 HG SER 47 -5.672 11.454 4.067 334 H LYS 48 H LYS 48 -3.737 7.115 3.978 335 HA LYS 48 HA LYS 48 -1.067 7.005 2.954 336 1HB LYS 48 2HB LYS 48 -0.388 5.051 4.401 337 2HB LYS 48 1HB LYS 48 -0.578 6.577 5.284 338 1HG LYS 48 2HG LYS 48 -2.916 5.868 5.979 339 2HG LYS 48 1HG LYS 48 -2.609 4.269 5.232 340 1HD LYS 48 2HD LYS 48 -0.686 3.930 6.803 341 2HD LYS 48 1HD LYS 48 -0.891 5.598 7.423 342 1HE LYS 48 2HE LYS 48 -3.237 4.971 8.226 343 2HE LYS 48 1HE LYS 48 -2.893 3.263 7.746 344 1HZ LYS 48 1HZ LYS 48 -0.953 3.358 9.265 345 2HZ LYS 48 2HZ LYS 48 -2.439 3.609 10.049 346 3HZ LYS 48 3HZ LYS 48 -1.403 4.914 9.721 347 H ILE 49 H ILE 49 -0.465 4.961 2.074 348 HA ILE 49 HA ILE 49 -2.707 3.452 0.927 349 HB ILE 49 HB ILE 49 0.135 3.499 -0.124 350 1HG1 ILE 49 2HG1 ILE 49 -0.348 5.816 -0.051 351 2HG1 ILE 49 1HG1 ILE 49 -0.297 5.197 -1.717 352 1HG2 ILE 49 1HG2 ILE 49 -0.947 2.860 -2.238 353 2HG2 ILE 49 2HG2 ILE 49 -2.578 2.997 -1.505 354 3HG2 ILE 49 3HG2 ILE 49 -1.441 1.725 -0.936 355 1HD1 ILE 49 1HD1 ILE 49 -2.787 5.263 -1.896 356 2HD1 ILE 49 2HD1 ILE 49 -2.102 6.874 -1.491 357 3HD1 ILE 49 3HD1 ILE 49 -2.900 5.897 -0.208 358 H ILE 50 H ILE 50 -2.658 1.213 1.321 359 HA ILE 50 HA ILE 50 -0.368 0.219 2.877 360 HB ILE 50 HB ILE 50 -3.053 -1.073 2.907 361 1HG1 ILE 50 2HG1 ILE 50 -3.568 1.265 3.549 362 2HG1 ILE 50 1HG1 ILE 50 -3.823 0.020 4.782 363 1HG2 ILE 50 1HG2 ILE 50 -0.699 -0.995 4.884 364 2HG2 ILE 50 2HG2 ILE 50 -1.119 -2.342 3.760 365 3HG2 ILE 50 3HG2 ILE 50 -2.241 -1.901 5.091 366 1HD1 ILE 50 1HD1 ILE 50 -2.846 2.084 5.782 367 2HD1 ILE 50 2HD1 ILE 50 -1.410 1.967 4.693 368 3HD1 ILE 50 3HD1 ILE 50 -1.698 0.718 5.969 369 H ILE 51 H ILE 51 0.829 -1.059 1.537 370 HA ILE 51 HA ILE 51 -0.621 -2.838 -0.288 371 HB ILE 51 HB ILE 51 2.078 -1.628 -0.863 372 1HG1 ILE 51 2HG1 ILE 51 -0.781 -0.703 -1.409 373 2HG1 ILE 51 1HG1 ILE 51 0.497 0.206 -0.643 374 1HG2 ILE 51 1HG2 ILE 51 1.451 -3.824 -2.013 375 2HG2 ILE 51 2HG2 ILE 51 1.496 -2.459 -3.164 376 3HG2 ILE 51 3HG2 ILE 51 -0.088 -3.062 -2.563 377 1HD1 ILE 51 1HD1 ILE 51 1.828 0.139 -2.873 378 2HD1 ILE 51 2HD1 ILE 51 0.267 1.046 -2.964 379 3HD1 ILE 51 3HD1 ILE 51 0.374 -0.625 -3.622 380 H ASN 52 H ASN 52 -0.209 -4.871 -0.250 381 HA ASN 52 HA ASN 52 2.176 -6.065 0.574 382 1HB ASN 52 2HB ASN 52 1.402 -5.559 2.843 383 2HB ASN 52 1HB ASN 52 -0.244 -6.179 2.486 384 1HD2 ASN 52 1HD2 ASN 52 3.234 -7.311 2.257 385 2HD2 ASN 52 2HD2 ASN 52 2.966 -8.770 3.142 386 H ARG 53 H ARG 53 1.563 -8.608 0.579 387 HA ARG 53 HA ARG 53 -0.385 -9.048 -1.546 388 1HB ARG 53 2HB ARG 53 1.492 -10.171 -2.730 389 2HB ARG 53 1HB ARG 53 1.697 -8.376 -2.538 390 1HG ARG 53 2HG ARG 53 3.279 -8.931 -0.529 391 2HG ARG 53 1HG ARG 53 3.035 -10.645 -0.953 392 1HD ARG 53 2HD ARG 53 4.071 -10.005 -3.295 393 2HD ARG 53 1HD ARG 53 4.560 -8.454 -2.494 394 HE ARG 53 HE ARG 53 5.154 -11.151 -1.238 395 1HH1 ARG 53 1HH1 ARG 53 6.629 -8.146 -2.635 396 2HH1 ARG 53 2HH1 ARG 53 8.216 -8.701 -2.136 397 1HH2 ARG 53 1HH2 ARG 53 7.303 -11.607 -0.541 398 2HH2 ARG 53 2HH2 ARG 53 8.556 -10.483 -0.982 399 H GLN 54 H GLN 54 -1.436 -10.977 -1.367 400 HA GLN 54 HA GLN 54 -0.470 -12.912 0.608 401 1HB GLN 54 2HB GLN 54 -3.094 -11.342 0.298 402 2HB GLN 54 1HB GLN 54 -3.067 -12.917 1.122 403 1HG GLN 54 2HG GLN 54 -1.449 -10.425 2.004 404 2HG GLN 54 1HG GLN 54 -2.993 -10.989 2.724 405 1HE2 GLN 54 1HE2 GLN 54 0.449 -11.397 2.721 406 2HE2 GLN 54 2HE2 GLN 54 0.512 -12.752 3.816 407 H GLU 55 H GLU 55 0.246 -13.813 -1.548 408 HA GLU 55 HA GLU 55 -1.571 -13.824 -3.582 409 1HB GLU 55 2HB GLU 55 0.228 -15.285 -4.758 410 2HB GLU 55 1HB GLU 55 0.430 -13.570 -4.360 411 1HG GLU 55 2HG GLU 55 2.473 -14.605 -3.929 412 2HG GLU 55 1HG GLU 55 1.820 -14.129 -2.342 413 HA PRO 56 HA PRO 56 -2.939 -18.078 -3.670 414 1HB PRO 56 2HB PRO 56 -4.882 -17.766 -5.607 415 2HB PRO 56 1HB PRO 56 -5.172 -17.487 -3.854 416 1HG PRO 56 2HG PRO 56 -4.624 -15.370 -5.997 417 2HG PRO 56 1HG PRO 56 -5.853 -15.348 -4.673 418 1HD PRO 56 2HD PRO 56 -3.376 -14.073 -4.479 419 2HD PRO 56 1HD PRO 56 -4.229 -14.769 -3.037 420 H LEU 57 H LEU 57 -2.781 -15.871 -6.485 421 HA LEU 57 HA LEU 57 -0.994 -17.807 -7.792 422 1HB LEU 57 2HB LEU 57 -2.859 -15.767 -9.114 423 2HB LEU 57 1HB LEU 57 -1.806 -16.971 -9.945 424 HG LEU 57 HG LEU 57 -4.073 -17.497 -7.987 425 1HD1 LEU 57 1HD1 LEU 57 -4.930 -16.441 -10.057 426 2HD1 LEU 57 2HD1 LEU 57 -5.445 -18.165 -9.993 427 3HD1 LEU 57 3HD1 LEU 57 -4.089 -17.672 -11.072 428 1HD2 LEU 57 1HD2 LEU 57 -2.549 -19.451 -7.989 429 2HD2 LEU 57 2HD2 LEU 57 -2.512 -19.468 -9.791 430 3HD2 LEU 57 3HD2 LEU 57 -4.028 -19.887 -8.916 431 H HIS 58 H HIS 58 -1.688 -14.645 -8.892 432 HA HIS 58 HA HIS 58 0.895 -13.507 -8.014 433 1HB HIS 58 2HB HIS 58 -0.382 -13.335 -10.800 434 2HB HIS 58 1HB HIS 58 0.962 -12.286 -10.239 435 HD1 HIS 58 1HD HIS 58 1.635 -13.613 -12.611 436 HD2 HIS 58 2HD HIS 58 1.967 -15.756 -9.023 437 HE1 HIS 58 1HE HIS 58 3.291 -15.479 -13.013 438 H GLN 59 H GLN 59 -0.672 -12.385 -6.258 439 HA GLN 59 HA GLN 59 -2.311 -10.390 -7.594 440 1HB GLN 59 2HB GLN 59 -3.484 -12.713 -6.842 441 2HB GLN 59 1HB GLN 59 -3.431 -11.904 -5.243 442 1HG GLN 59 2HG GLN 59 -4.760 -9.998 -6.154 443 2HG GLN 59 1HG GLN 59 -4.706 -10.731 -7.799 444 1HE2 GLN 59 1HE2 GLN 59 -6.872 -11.257 -8.154 445 2HE2 GLN 59 2HE2 GLN 59 -7.787 -12.297 -7.100 446 H VAL 60 H VAL 60 -2.463 -8.517 -6.452 447 HA VAL 60 HA VAL 60 -0.888 -8.404 -3.955 448 HB VAL 60 HB VAL 60 -1.106 -6.348 -6.173 449 1HG1 VAL 60 1HG1 VAL 60 -0.738 -5.227 -3.966 450 2HG1 VAL 60 2HG1 VAL 60 0.792 -5.225 -4.892 451 3HG1 VAL 60 3HG1 VAL 60 0.564 -6.406 -3.554 452 1HG2 VAL 60 1HG2 VAL 60 1.256 -8.159 -5.367 453 2HG2 VAL 60 2HG2 VAL 60 1.315 -6.813 -6.564 454 3HG2 VAL 60 3HG2 VAL 60 0.309 -8.257 -6.909 455 H TRP 61 H TRP 61 -1.728 -6.755 -2.402 456 HA TRP 61 HA TRP 61 -4.595 -6.368 -2.778 457 1HB TRP 61 2HB TRP 61 -4.797 -7.139 -0.731 458 2HB TRP 61 1HB TRP 61 -3.053 -7.445 -0.688 459 HD1 TRP 61 HD TRP 61 -1.835 -4.688 -0.127 460 HE1 TRP 61 1HE TRP 61 -2.551 -3.165 1.782 461 HE3 TRP 61 3HE TRP 61 -6.121 -7.016 1.154 462 HZ2 TRP 61 2HZ TRP 61 -4.339 -3.414 4.063 463 HZ3 TRP 61 3HZ TRP 61 -7.292 -6.353 3.200 464 HH2 TRP 61 HH TRP 61 -6.417 -4.582 4.624 465 H LEU 62 H LEU 62 -5.551 -4.241 -2.622 466 HA LEU 62 HA LEU 62 -3.564 -2.114 -2.209 467 1HB LEU 62 2HB LEU 62 -4.485 -2.854 -4.587 468 2HB LEU 62 1HB LEU 62 -5.959 -2.010 -4.134 469 HG LEU 62 HG LEU 62 -4.385 -0.877 -5.593 470 1HD1 LEU 62 1HD1 LEU 62 -6.043 0.451 -4.260 471 2HD1 LEU 62 2HD1 LEU 62 -4.551 1.413 -4.588 472 3HD1 LEU 62 3HD1 LEU 62 -4.815 0.688 -2.954 473 1HD2 LEU 62 1HD2 LEU 62 -2.206 -1.594 -4.516 474 2HD2 LEU 62 2HD2 LEU 62 -2.515 -0.435 -3.172 475 3HD2 LEU 62 3HD2 LEU 62 -2.279 0.180 -4.844 476 H ALA 63 H ALA 63 -4.166 -1.797 0.006 477 HA ALA 63 HA ALA 63 -6.864 -0.706 0.302 478 1HB ALA 63 1HB ALA 63 -6.353 -2.493 1.893 479 2HB ALA 63 2HB ALA 63 -6.502 -0.918 2.745 480 3HB ALA 63 3HB ALA 63 -4.874 -1.630 2.423 481 H THR 64 H THR 64 -7.228 1.163 1.369 482 HA THR 64 HA THR 64 -5.178 3.185 1.464 483 HB THR 64 HB THR 64 -6.763 4.657 -0.084 484 HG1 THR 64 1HG THR 64 -6.933 2.095 -1.237 485 1HG2 THR 64 1HG2 THR 64 -4.812 2.601 -1.304 486 2HG2 THR 64 2HG2 THR 64 -4.342 4.135 -0.480 487 3HG2 THR 64 3HG2 THR 64 -5.311 4.191 -1.993 488 H LYS 65 H LYS 65 -8.665 3.447 0.847 489 HA LYS 65 HA LYS 65 -8.996 4.265 3.662 490 1HB LYS 65 2HB LYS 65 -9.041 6.167 1.953 491 2HB LYS 65 1HB LYS 65 -10.567 5.471 1.346 492 1HG LYS 65 2HG LYS 65 -11.413 5.579 3.811 493 2HG LYS 65 1HG LYS 65 -9.887 6.441 4.182 494 1HD LYS 65 2HD LYS 65 -10.548 8.261 2.553 495 2HD LYS 65 1HD LYS 65 -12.022 7.328 2.146 496 1HE LYS 65 2HE LYS 65 -12.758 9.037 3.641 497 2HE LYS 65 1HE LYS 65 -12.738 7.523 4.621 498 1HZ LYS 65 1HZ LYS 65 -11.749 9.339 5.839 499 2HZ LYS 65 2HZ LYS 65 -10.671 9.676 4.588 500 3HZ LYS 65 3HZ LYS 65 -10.501 8.274 5.457 501 H GLN 66 H GLN 66 -10.815 3.193 0.739 502 HA GLN 66 HA GLN 66 -12.896 2.243 2.597 503 1HB GLN 66 2HB GLN 66 -13.165 4.424 1.401 504 2HB GLN 66 1HB GLN 66 -13.095 3.562 -0.163 505 1HG GLN 66 2HG GLN 66 -15.216 2.377 0.360 506 2HG GLN 66 1HG GLN 66 -15.199 3.015 2.040 507 1HE2 GLN 66 1HE2 GLN 66 -17.455 3.477 0.684 508 2HE2 GLN 66 2HE2 GLN 66 -17.569 5.166 0.254 509 H GLY 67 H GLY 67 -10.960 1.458 -0.198 510 1HA GLY 67 2HA GLY 67 -12.700 -0.724 -0.944 511 2HA GLY 67 1HA GLY 67 -11.178 -0.191 -1.714 512 H GLY 68 H GLY 68 -9.177 -0.853 -0.717 513 1HA GLY 68 2HA GLY 68 -7.813 -2.532 -0.107 514 2HA GLY 68 1HA GLY 68 -9.100 -3.254 0.873 515 H TYR 69 H TYR 69 -8.494 -2.595 -2.602 516 HA TYR 69 HA TYR 69 -9.860 -5.129 -3.210 517 1HB TYR 69 2HB TYR 69 -9.280 -2.617 -4.856 518 2HB TYR 69 1HB TYR 69 -9.908 -4.145 -5.567 519 HD1 TYR 69 1HD TYR 69 -11.460 -2.358 -6.374 520 HD2 TYR 69 2HD TYR 69 -11.492 -3.757 -2.342 521 HE1 TYR 69 1HE TYR 69 -13.786 -1.647 -6.122 522 HE2 TYR 69 2HE TYR 69 -13.740 -3.006 -2.092 523 HH TYR 69 HH TYR 69 -15.470 -1.938 -3.001 524 H HIS 70 H HIS 70 -8.687 -6.871 -3.876 525 HA HIS 70 HA HIS 70 -5.909 -6.327 -4.521 526 1HB HIS 70 2HB HIS 70 -5.695 -8.871 -4.384 527 2HB HIS 70 1HB HIS 70 -6.195 -8.078 -2.874 528 HD1 HIS 70 1HD HIS 70 -8.376 -8.725 -1.836 529 HD2 HIS 70 2HD HIS 70 -8.001 -10.271 -5.723 530 HE1 HIS 70 1HE HIS 70 -10.243 -10.367 -2.154 531 H PHE 71 H PHE 71 -4.813 -7.406 -6.249 532 HA PHE 71 HA PHE 71 -6.472 -7.246 -8.637 533 1HB PHE 71 2HB PHE 71 -5.231 -5.314 -9.389 534 2HB PHE 71 1HB PHE 71 -5.956 -5.029 -7.743 535 HD1 PHE 71 1HD PHE 71 -2.936 -5.109 -9.657 536 HD2 PHE 71 2HD PHE 71 -4.610 -4.832 -5.775 537 HE1 PHE 71 1HE PHE 71 -0.864 -4.078 -8.854 538 HE2 PHE 71 2HE PHE 71 -2.533 -3.813 -4.958 539 HZ PHE 71 HZ PHE 71 -0.670 -3.421 -6.485 540 H ASP 72 H ASP 72 -5.731 -7.919 -10.567 541 HA ASP 72 HA ASP 72 -3.471 -9.774 -10.435 542 1HB ASP 72 2HB ASP 72 -5.992 -9.942 -12.196 543 2HB ASP 72 1HB ASP 72 -4.691 -11.166 -12.068 544 H LEU 73 H LEU 73 -2.367 -10.154 -12.498 545 HA LEU 73 HA LEU 73 -2.247 -7.754 -14.168 546 1HB LEU 73 2HB LEU 73 -0.188 -8.647 -13.178 547 2HB LEU 73 1HB LEU 73 -0.532 -10.256 -13.860 548 HG LEU 73 HG LEU 73 -0.244 -9.370 -16.169 549 1HD1 LEU 73 1HD1 LEU 73 0.776 -7.082 -16.493 550 2HD1 LEU 73 2HD1 LEU 73 0.495 -6.728 -14.755 551 3HD1 LEU 73 3HD1 LEU 73 -0.912 -6.974 -15.860 552 1HD2 LEU 73 1HD2 LEU 73 2.217 -9.027 -16.041 553 2HD2 LEU 73 2HD2 LEU 73 1.687 -10.346 -14.935 554 3HD2 LEU 73 3HD2 LEU 73 2.094 -8.722 -14.267 555 H LYS 74 H LYS 74 -3.602 -7.668 -15.916 556 HA LYS 74 HA LYS 74 -4.251 -10.089 -17.295 557 1HB LYS 74 2HB LYS 74 -4.721 -7.125 -17.812 558 2HB LYS 74 1HB LYS 74 -5.243 -8.387 -18.971 559 1HG LYS 74 2HG LYS 74 -6.130 -8.285 -16.032 560 2HG LYS 74 1HG LYS 74 -7.021 -7.570 -17.416 561 1HD LYS 74 2HD LYS 74 -7.383 -9.716 -18.450 562 2HD LYS 74 1HD LYS 74 -6.355 -10.560 -17.242 563 1HE LYS 74 2HE LYS 74 -7.934 -10.084 -15.428 564 2HE LYS 74 1HE LYS 74 -8.936 -9.033 -16.503 565 1HZ LYS 74 1HZ LYS 74 -9.736 -11.330 -16.140 566 2HZ LYS 74 2HZ LYS 74 -8.485 -11.941 -17.075 567 3HZ LYS 74 3HZ LYS 74 -9.606 -10.893 -17.759 568 H GLY 75 H GLY 75 -2.053 -7.327 -17.923 569 1HA GLY 75 2HA GLY 75 -0.288 -8.975 -19.350 570 2HA GLY 75 1HA GLY 75 -1.355 -8.075 -20.492 571 H ASP 76 H ASP 76 -1.351 -5.738 -20.351 572 HA ASP 76 HA ASP 76 1.186 -4.647 -19.387 573 1HB ASP 76 2HB ASP 76 0.632 -2.679 -20.846 574 2HB ASP 76 1HB ASP 76 0.939 -4.221 -21.698 575 H GLU 77 H GLU 77 -1.766 -5.132 -18.044 576 HA GLU 77 HA GLU 77 -1.561 -2.840 -16.324 577 1HB GLU 77 2HB GLU 77 -3.839 -2.034 -16.693 578 2HB GLU 77 1HB GLU 77 -2.769 -1.779 -18.090 579 1HG GLU 77 2HG GLU 77 -3.805 -3.852 -19.200 580 2HG GLU 77 1HG GLU 77 -4.990 -3.908 -17.841 581 H TRP 78 H TRP 78 -2.668 -3.142 -14.456 582 HA TRP 78 HA TRP 78 -3.437 -5.934 -14.022 583 1HB TRP 78 2HB TRP 78 -2.702 -3.777 -11.973 584 2HB TRP 78 1HB TRP 78 -3.247 -5.455 -11.641 585 HD1 TRP 78 HD TRP 78 -0.251 -3.933 -13.746 586 HE1 TRP 78 1HE TRP 78 1.840 -5.276 -13.102 587 HE3 TRP 78 3HE TRP 78 -2.347 -7.106 -10.377 588 HZ2 TRP 78 2HZ TRP 78 2.528 -7.290 -11.254 589 HZ3 TRP 78 3HZ TRP 78 -0.927 -8.690 -9.202 590 HH2 TRP 78 HH TRP 78 1.467 -8.783 -9.605 591 H ILE 79 H ILE 79 -5.455 -6.439 -13.422 592 HA ILE 79 HA ILE 79 -7.446 -4.284 -13.392 593 HB ILE 79 HB ILE 79 -7.631 -7.165 -14.276 594 1HG1 ILE 79 2HG1 ILE 79 -7.622 -4.378 -15.432 595 2HG1 ILE 79 1HG1 ILE 79 -6.771 -5.815 -16.018 596 1HG2 ILE 79 1HG2 ILE 79 -9.665 -6.666 -12.907 597 2HG2 ILE 79 2HG2 ILE 79 -10.052 -6.793 -14.643 598 3HG2 ILE 79 3HG2 ILE 79 -9.952 -5.171 -13.881 599 1HD1 ILE 79 1HD1 ILE 79 -9.032 -6.743 -16.853 600 2HD1 ILE 79 2HD1 ILE 79 -8.503 -5.224 -17.654 601 3HD1 ILE 79 3HD1 ILE 79 -9.786 -5.178 -16.397 602 H CYS 80 H CYS 80 -8.688 -4.044 -11.718 603 HA CYS 80 HA CYS 80 -7.818 -5.375 -9.333 604 1HB CYS 80 2HB CYS 80 -9.871 -3.176 -9.797 605 2HB CYS 80 1HB CYS 80 -9.452 -3.806 -8.180 606 HG CYS 80 HG CYS 80 -8.184 -1.500 -8.628 607 H ASP 81 H ASP 81 -8.958 -7.112 -8.345 608 HA ASP 81 HA ASP 81 -10.712 -8.429 -10.029 609 1HB ASP 81 2HB ASP 81 -8.945 -9.420 -8.514 610 2HB ASP 81 1HB ASP 81 -9.990 -9.041 -7.102 611 H ARG 82 H ARG 82 -11.248 -6.561 -7.100 612 HA ARG 82 HA ARG 82 -14.023 -7.296 -6.895 613 1HB ARG 82 2HB ARG 82 -12.101 -5.465 -5.461 614 2HB ARG 82 1HB ARG 82 -13.840 -5.083 -5.344 615 1HG ARG 82 2HG ARG 82 -13.211 -6.381 -3.428 616 2HG ARG 82 1HG ARG 82 -14.398 -7.226 -4.454 617 1HD ARG 82 2HD ARG 82 -12.025 -8.386 -5.375 618 2HD ARG 82 1HD ARG 82 -11.565 -8.012 -3.677 619 HE ARG 82 HE ARG 82 -13.618 -9.903 -4.675 620 1HH1 ARG 82 1HH1 ARG 82 -12.608 -8.094 -1.744 621 2HH1 ARG 82 2HH1 ARG 82 -13.807 -8.888 -0.768 622 1HH2 ARG 82 1HH2 ARG 82 -15.110 -10.908 -3.301 623 2HH2 ARG 82 2HH2 ARG 82 -14.966 -10.729 -1.575 624 H SER 83 H SER 83 -15.608 -6.529 -8.045 625 HA SER 83 HA SER 83 -16.813 -5.473 -9.373 626 1HB SER 83 2HB SER 83 -16.984 -3.125 -9.682 627 2HB SER 83 1HB SER 83 -16.768 -3.551 -7.958 628 HG SER 83 HG SER 83 -14.431 -3.134 -8.490 629 H GLY 84 H GLY 84 -13.468 -4.597 -10.212 630 1HA GLY 84 2HA GLY 84 -12.644 -5.495 -12.277 631 2HA GLY 84 1HA GLY 84 -14.223 -5.069 -13.033 632 H GLU 85 H GLU 85 -11.212 -3.809 -11.707 633 HA GLU 85 HA GLU 85 -11.741 -1.234 -12.964 634 1HB GLU 85 2HB GLU 85 -11.289 -1.653 -9.990 635 2HB GLU 85 1HB GLU 85 -10.796 -0.114 -10.763 636 1HG GLU 85 2HG GLU 85 -13.662 -1.154 -11.038 637 2HG GLU 85 1HG GLU 85 -13.093 -0.246 -9.601 638 H THR 86 H THR 86 -9.235 -0.198 -11.643 639 HA THR 86 HA THR 86 -7.469 -1.707 -13.461 640 HB THR 86 HB THR 86 -8.083 1.287 -13.401 641 HG1 THR 86 1HG THR 86 -9.120 -0.607 -15.210 642 1HG2 THR 86 1HG2 THR 86 -5.875 0.512 -14.542 643 2HG2 THR 86 2HG2 THR 86 -7.034 1.244 -15.710 644 3HG2 THR 86 3HG2 THR 86 -6.851 -0.544 -15.627 645 H PHE 87 H PHE 87 -5.313 -1.613 -12.881 646 HA PHE 87 HA PHE 87 -4.241 -1.158 -10.660 647 1HB PHE 87 2HB PHE 87 -3.329 -2.000 -12.826 648 2HB PHE 87 1HB PHE 87 -3.121 -0.330 -13.402 649 HD1 PHE 87 1HD PHE 87 -2.162 -0.733 -9.858 650 HD2 PHE 87 2HD PHE 87 -0.950 -1.254 -13.919 651 HE1 PHE 87 1HE PHE 87 0.141 -0.642 -9.182 652 HE2 PHE 87 2HE PHE 87 1.378 -1.265 -13.213 653 HZ PHE 87 HZ PHE 87 1.945 -0.956 -10.832 654 H TRP 88 H TRP 88 -3.193 1.475 -12.827 655 HA TRP 88 HA TRP 88 -2.507 2.959 -10.561 656 1HB TRP 88 2HB TRP 88 -2.633 3.952 -13.453 657 2HB TRP 88 1HB TRP 88 -1.643 4.564 -12.109 658 HD1 TRP 88 HD TRP 88 -1.536 2.288 -15.045 659 HE1 TRP 88 1HE TRP 88 0.750 1.139 -15.181 660 HE3 TRP 88 3HE TRP 88 0.145 3.348 -10.381 661 HZ2 TRP 88 2HZ TRP 88 3.118 1.052 -13.620 662 HZ3 TRP 88 3HZ TRP 88 2.433 2.688 -9.759 663 HH2 TRP 88 HH TRP 88 3.885 1.578 -11.347 664 H ASP 89 H ASP 89 -5.207 2.959 -12.755 665 HA ASP 89 HA ASP 89 -6.117 5.575 -12.140 666 1HB ASP 89 2HB ASP 89 -7.505 3.169 -13.462 667 2HB ASP 89 1HB ASP 89 -8.169 4.850 -13.414 668 H LEU 90 H LEU 90 -7.038 2.339 -10.782 669 HA LEU 90 HA LEU 90 -9.088 3.471 -9.279 670 1HB LEU 90 2HB LEU 90 -8.983 1.046 -9.730 671 2HB LEU 90 1HB LEU 90 -7.489 0.919 -8.767 672 HG LEU 90 HG LEU 90 -8.708 1.726 -6.747 673 1HD1 LEU 90 1HD1 LEU 90 -11.229 1.626 -6.707 674 2HD1 LEU 90 2HD1 LEU 90 -11.244 1.472 -8.497 675 3HD1 LEU 90 3HD1 LEU 90 -10.604 2.978 -7.701 676 1HD2 LEU 90 1HD2 LEU 90 -9.955 -0.365 -6.273 677 2HD2 LEU 90 2HD2 LEU 90 -8.369 -0.681 -7.065 678 3HD2 LEU 90 3HD2 LEU 90 -9.911 -0.800 -8.023 679 H LEU 91 H LEU 91 -5.741 2.533 -8.683 680 HA LEU 91 HA LEU 91 -5.281 3.448 -6.153 681 1HB LEU 91 2HB LEU 91 -3.691 2.135 -7.449 682 2HB LEU 91 1HB LEU 91 -3.545 3.441 -8.652 683 HG LEU 91 HG LEU 91 -2.439 4.903 -6.937 684 1HD1 LEU 91 1HD1 LEU 91 -3.315 3.890 -4.826 685 2HD1 LEU 91 2HD1 LEU 91 -1.518 3.862 -4.861 686 3HD1 LEU 91 3HD1 LEU 91 -2.442 2.352 -5.192 687 1HD2 LEU 91 1HD2 LEU 91 -1.139 2.163 -7.488 688 2HD2 LEU 91 2HD2 LEU 91 -0.273 3.701 -7.074 689 3HD2 LEU 91 3HD2 LEU 91 -1.200 3.569 -8.612 690 H GLU 92 H GLU 92 -5.058 5.446 -9.139 691 HA GLU 92 HA GLU 92 -4.474 7.834 -7.978 692 1HB GLU 92 2HB GLU 92 -4.381 7.388 -10.345 693 2HB GLU 92 1HB GLU 92 -6.143 7.178 -10.454 694 1HG GLU 92 2HG GLU 92 -5.076 9.851 -9.405 695 2HG GLU 92 1HG GLU 92 -4.815 9.451 -11.135 696 H GLN 93 H GLN 93 -7.796 6.517 -8.507 697 HA GLN 93 HA GLN 93 -9.039 8.735 -7.388 698 1HB GLN 93 2HB GLN 93 -9.983 6.842 -8.781 699 2HB GLN 93 1HB GLN 93 -10.135 5.874 -7.303 700 1HG GLN 93 2HG GLN 93 -11.357 8.713 -7.602 701 2HG GLN 93 1HG GLN 93 -12.165 7.265 -8.261 702 1HE2 GLN 93 1HE2 GLN 93 -12.057 9.264 -5.576 703 2HE2 GLN 93 2HE2 GLN 93 -12.770 8.172 -4.411 704 H ALA 94 H ALA 94 -8.189 5.659 -5.861 705 HA ALA 94 HA ALA 94 -8.975 6.030 -3.255 706 1HB ALA 94 1HB ALA 94 -7.294 4.250 -2.870 707 2HB ALA 94 2HB ALA 94 -6.599 4.558 -4.509 708 3HB ALA 94 3HB ALA 94 -8.280 3.935 -4.347 709 H ALA 95 H ALA 95 -5.817 6.900 -4.740 710 HA ALA 95 HA ALA 95 -4.737 7.880 -2.339 711 1HB ALA 95 1HB ALA 95 -3.868 8.252 -5.255 712 2HB ALA 95 2HB ALA 95 -3.380 6.907 -4.176 713 3HB ALA 95 3HB ALA 95 -2.846 8.584 -3.797 714 H THR 96 H THR 96 -6.010 9.618 -5.240 715 HA THR 96 HA THR 96 -5.883 12.149 -4.365 716 HB THR 96 HB THR 96 -8.146 10.809 -5.897 717 HG1 THR 96 1HG THR 96 -6.510 10.601 -7.159 718 1HG2 THR 96 1HG2 THR 96 -8.860 13.093 -5.136 719 2HG2 THR 96 2HG2 THR 96 -8.454 13.113 -6.882 720 3HG2 THR 96 3HG2 THR 96 -7.281 13.778 -5.689 721 H GLN 97 H GLN 97 -8.418 9.803 -3.626 722 HA GLN 97 HA GLN 97 -10.043 11.367 -2.008 723 1HB GLN 97 2HB GLN 97 -10.875 9.286 -2.743 724 2HB GLN 97 1HB GLN 97 -9.355 8.467 -2.379 725 1HG GLN 97 2HG GLN 97 -10.902 7.543 -0.938 726 2HG GLN 97 1HG GLN 97 -9.882 8.500 0.127 727 1HE2 GLN 97 1HE2 GLN 97 -10.772 10.715 0.817 728 2HE2 GLN 97 2HE2 GLN 97 -12.501 10.821 1.017 729 H GLN 98 H GLN 98 -7.466 9.114 -0.951 730 HA GLN 98 HA GLN 98 -7.503 9.854 1.693 731 1HB GLN 98 2HB GLN 98 -5.482 8.610 -0.164 732 2HB GLN 98 1HB GLN 98 -4.927 9.010 1.472 733 1HG GLN 98 2HG GLN 98 -7.394 7.259 0.925 734 2HG GLN 98 1HG GLN 98 -5.730 6.630 1.134 735 1HE2 GLN 98 1HE2 GLN 98 -5.315 5.905 3.152 736 2HE2 GLN 98 2HE2 GLN 98 -6.117 6.441 4.590 737 H ALA 99 H ALA 99 -5.443 11.369 -0.828 738 HA ALA 99 HA ALA 99 -4.164 13.022 1.118 739 1HB ALA 99 1HB ALA 99 -3.109 14.039 -0.917 740 2HB ALA 99 2HB ALA 99 -4.254 13.109 -1.958 741 3HB ALA 99 3HB ALA 99 -3.040 12.241 -0.965 742 H GLY 100 H GLY 100 -6.789 13.499 -1.244 743 1HA GLY 100 2HA GLY 100 -8.404 15.067 -1.147 744 2HA GLY 100 1HA GLY 100 -7.408 16.087 -0.052 745 H GLU 101 H GLU 101 -5.819 14.691 -2.758 746 HA GLU 101 HA GLU 101 -6.115 16.878 -4.557 747 1HB GLU 101 2HB GLU 101 -4.584 18.072 -3.177 748 2HB GLU 101 1HB GLU 101 -3.688 16.592 -2.727 749 1HG GLU 101 2HG GLU 101 -2.556 16.453 -4.828 750 2HG GLU 101 1HG GLU 101 -3.675 17.605 -5.614 751 H THR 102 H THR 102 -5.350 16.225 -6.606 752 HA THR 102 HA THR 102 -5.306 13.546 -7.072 753 HB THR 102 HB THR 102 -4.188 15.699 -8.875 754 HG1 THR 102 1HG THR 102 -6.200 15.677 -9.700 755 1HG2 THR 102 1HG2 THR 102 -3.544 13.410 -9.690 756 2HG2 THR 102 2HG2 THR 102 -4.896 14.035 -10.682 757 3HG2 THR 102 3HG2 THR 102 -5.217 12.814 -9.398 758 H VAL 103 H VAL 103 -3.919 11.973 -6.832 759 HA VAL 103 HA VAL 103 -1.111 12.577 -6.441 760 HB VAL 103 HB VAL 103 -2.773 10.106 -5.908 761 1HG1 VAL 103 1HG1 VAL 103 -0.702 9.339 -4.659 762 2HG1 VAL 103 2HG1 VAL 103 0.203 10.757 -5.292 763 3HG1 VAL 103 3HG1 VAL 103 -0.379 9.473 -6.419 764 1HG2 VAL 103 1HG2 VAL 103 -2.289 10.770 -3.496 765 2HG2 VAL 103 2HG2 VAL 103 -3.325 11.950 -4.363 766 3HG2 VAL 103 3HG2 VAL 103 -1.582 12.313 -4.102 767 H SER 104 H SER 104 0.350 12.038 -7.788 768 HA SER 104 HA SER 104 -0.479 11.256 -10.444 769 1HB SER 104 2HB SER 104 0.864 13.318 -9.947 770 2HB SER 104 1HB SER 104 2.266 12.272 -9.583 771 HG SER 104 HG SER 104 2.073 11.469 -11.717 772 H PHE 105 H PHE 105 -0.676 8.940 -10.520 773 HA PHE 105 HA PHE 105 1.904 7.549 -10.413 774 1HB PHE 105 2HB PHE 105 -1.013 6.782 -9.783 775 2HB PHE 105 1HB PHE 105 0.142 5.543 -10.391 776 HD1 PHE 105 1HD PHE 105 2.280 5.175 -9.239 777 HD2 PHE 105 2HD PHE 105 -0.938 7.308 -7.478 778 HE1 PHE 105 1HE PHE 105 3.155 4.641 -7.006 779 HE2 PHE 105 2HE PHE 105 -0.076 6.773 -5.245 780 HZ PHE 105 HZ PHE 105 1.966 5.414 -5.012 781 H ARG 106 H ARG 106 -0.723 8.712 -12.358 782 HA ARG 106 HA ARG 106 -0.482 6.572 -14.257 783 1HB ARG 106 2HB ARG 106 -2.496 8.121 -13.183 784 2HB ARG 106 1HB ARG 106 -2.299 8.906 -14.757 785 1HG ARG 106 2HG ARG 106 -2.810 5.903 -14.185 786 2HG ARG 106 1HG ARG 106 -4.048 7.132 -14.587 787 1HD ARG 106 2HD ARG 106 -3.003 7.441 -16.866 788 2HD ARG 106 1HD ARG 106 -1.827 6.103 -16.474 789 HE ARG 106 HE ARG 106 -4.617 5.367 -15.914 790 1HH1 ARG 106 1HH1 ARG 106 -2.556 5.932 -18.796 791 2HH1 ARG 106 2HH1 ARG 106 -3.541 4.853 -19.767 792 1HH2 ARG 106 1HH2 ARG 106 -5.687 3.933 -17.175 793 2HH2 ARG 106 2HH2 ARG 106 -5.391 3.879 -18.916 Start of MODEL 11 1 HA MET 1 HA MET 1 1.572 -20.902 -10.219 2 1HB MET 1 2HB MET 1 1.660 -22.991 -8.851 3 2HB MET 1 1HB MET 1 3.337 -23.270 -9.382 4 1HG MET 1 2HG MET 1 3.232 -22.366 -7.104 5 2HG MET 1 1HG MET 1 4.095 -21.239 -8.186 6 1HE MET 1 1HE MET 1 2.889 -20.738 -5.227 7 2HE MET 1 2HE MET 1 2.442 -19.014 -5.449 8 3HE MET 1 3HE MET 1 3.953 -19.651 -6.183 9 H ASN 2 H ASN 2 2.619 -19.174 -11.007 10 HA ASN 2 HA ASN 2 5.242 -19.588 -12.258 11 1HB ASN 2 2HB ASN 2 3.152 -17.385 -12.702 12 2HB ASN 2 1HB ASN 2 4.720 -17.605 -13.584 13 1HD2 ASN 2 1HD2 ASN 2 1.636 -17.801 -14.289 14 2HD2 ASN 2 2HD2 ASN 2 1.578 -19.286 -15.210 15 H ASP 3 H ASP 3 6.209 -19.497 -10.102 16 HA ASP 3 HA ASP 3 5.840 -17.274 -8.476 17 1HB ASP 3 2HB ASP 3 6.559 -19.662 -7.856 18 2HB ASP 3 1HB ASP 3 8.211 -19.227 -8.430 19 H SER 4 H SER 4 8.444 -17.964 -10.820 20 HA SER 4 HA SER 4 9.924 -15.680 -10.184 21 1HB SER 4 2HB SER 4 10.805 -17.627 -11.481 22 2HB SER 4 1HB SER 4 9.809 -17.121 -12.879 23 HG SER 4 HG SER 4 11.902 -16.319 -13.035 24 H GLU 5 H GLU 5 7.356 -16.179 -12.632 25 HA GLU 5 HA GLU 5 7.364 -13.646 -13.726 26 1HB GLU 5 2HB GLU 5 5.070 -15.573 -13.164 27 2HB GLU 5 1HB GLU 5 4.868 -14.099 -14.147 28 1HG GLU 5 2HG GLU 5 6.920 -16.276 -14.913 29 2HG GLU 5 1HG GLU 5 5.195 -16.324 -15.409 30 H PHE 6 H PHE 6 5.198 -14.775 -11.029 31 HA PHE 6 HA PHE 6 4.205 -12.355 -10.365 32 1HB PHE 6 2HB PHE 6 3.451 -14.606 -9.552 33 2HB PHE 6 1HB PHE 6 4.956 -14.769 -8.602 34 HD1 PHE 6 1HD PHE 6 4.562 -14.475 -6.375 35 HD2 PHE 6 2HD PHE 6 2.367 -12.071 -9.118 36 HE1 PHE 6 1HE PHE 6 3.406 -13.398 -4.507 37 HE2 PHE 6 2HE PHE 6 1.249 -10.967 -7.257 38 HZ PHE 6 HZ PHE 6 1.710 -11.673 -4.949 39 H HIS 7 H HIS 7 7.145 -13.821 -8.833 40 HA HIS 7 HA HIS 7 7.443 -11.576 -7.224 41 1HB HIS 7 2HB HIS 7 9.388 -13.820 -7.853 42 2HB HIS 7 1HB HIS 7 9.742 -12.500 -6.676 43 HD1 HIS 7 1HD HIS 7 8.386 -15.859 -6.526 44 HD2 HIS 7 2HD HIS 7 7.316 -12.168 -4.800 45 HE1 HIS 7 1HE HIS 7 6.904 -16.367 -4.669 46 H ARG 8 H ARG 8 9.004 -12.173 -10.411 47 HA ARG 8 HA ARG 8 10.606 -9.871 -10.220 48 1HB ARG 8 2HB ARG 8 9.610 -11.601 -12.496 49 2HB ARG 8 1HB ARG 8 10.295 -9.996 -12.870 50 1HG ARG 8 2HG ARG 8 12.358 -10.495 -11.644 51 2HG ARG 8 1HG ARG 8 11.800 -12.167 -11.329 52 1HD ARG 8 2HD ARG 8 11.903 -12.768 -13.667 53 2HD ARG 8 1HD ARG 8 12.015 -11.055 -14.204 54 HE ARG 8 HE ARG 8 14.178 -12.571 -12.703 55 1HH1 ARG 8 1HH1 ARG 8 13.291 -9.586 -14.544 56 2HH1 ARG 8 2HH1 ARG 8 14.865 -8.922 -14.299 57 1HH2 ARG 8 1HH2 ARG 8 16.314 -11.885 -13.119 58 2HH2 ARG 8 2HH2 ARG 8 16.607 -10.272 -13.633 59 H LEU 9 H LEU 9 7.312 -10.291 -11.728 60 HA LEU 9 HA LEU 9 7.206 -7.632 -12.500 61 1HB LEU 9 2HB LEU 9 5.031 -9.703 -11.914 62 2HB LEU 9 1HB LEU 9 4.719 -8.107 -12.677 63 HG LEU 9 HG LEU 9 6.555 -10.257 -13.858 64 1HD1 LEU 9 1HD1 LEU 9 4.698 -10.667 -15.472 65 2HD1 LEU 9 2HD1 LEU 9 3.661 -9.480 -14.593 66 3HD1 LEU 9 3HD1 LEU 9 4.180 -11.009 -13.782 67 1HD2 LEU 9 1HD2 LEU 9 7.186 -7.983 -14.649 68 2HD2 LEU 9 2HD2 LEU 9 5.461 -7.618 -15.032 69 3HD2 LEU 9 3HD2 LEU 9 6.346 -8.881 -15.961 70 H ALA 10 H ALA 10 6.018 -9.180 -9.487 71 HA ALA 10 HA ALA 10 4.865 -6.876 -8.446 72 1HB ALA 10 1HB ALA 10 4.347 -9.134 -7.625 73 2HB ALA 10 2HB ALA 10 4.950 -8.100 -6.279 74 3HB ALA 10 3HB ALA 10 6.030 -9.336 -7.044 75 H ASP 11 H ASP 11 8.279 -7.987 -8.295 76 HA ASP 11 HA ASP 11 9.078 -6.053 -6.458 77 1HB ASP 11 2HB ASP 11 10.353 -8.149 -7.361 78 2HB ASP 11 1HB ASP 11 10.815 -7.127 -8.763 79 H GLN 12 H GLN 12 8.920 -6.030 -9.999 80 HA GLN 12 HA GLN 12 9.827 -3.436 -10.359 81 1HB GLN 12 2HB GLN 12 7.817 -4.988 -12.040 82 2HB GLN 12 1HB GLN 12 8.602 -3.474 -12.552 83 1HG GLN 12 2HG GLN 12 10.085 -6.109 -11.897 84 2HG GLN 12 1HG GLN 12 9.649 -5.541 -13.534 85 1HE2 GLN 12 1HE2 GLN 12 10.436 -3.116 -13.933 86 2HE2 GLN 12 2HE2 GLN 12 12.105 -2.855 -13.508 87 H LEU 13 H LEU 13 6.370 -4.418 -9.606 88 HA LEU 13 HA LEU 13 5.346 -1.893 -9.810 89 1HB LEU 13 2HB LEU 13 4.589 -3.997 -7.728 90 2HB LEU 13 1HB LEU 13 3.594 -2.675 -8.413 91 HG LEU 13 HG LEU 13 4.569 -5.198 -9.757 92 1HD1 LEU 13 1HD1 LEU 13 1.721 -4.219 -9.091 93 2HD1 LEU 13 2HD1 LEU 13 2.643 -5.478 -8.191 94 3HD1 LEU 13 3HD1 LEU 13 2.128 -5.776 -9.899 95 1HD2 LEU 13 1HD2 LEU 13 4.556 -3.381 -11.509 96 2HD2 LEU 13 2HD2 LEU 13 2.885 -2.907 -11.002 97 3HD2 LEU 13 3HD2 LEU 13 3.174 -4.504 -11.776 98 H TRP 14 H TRP 14 6.650 -3.592 -6.971 99 HA TRP 14 HA TRP 14 6.439 -1.763 -5.035 100 1HB TRP 14 2HB TRP 14 7.883 -4.169 -5.626 101 2HB TRP 14 1HB TRP 14 9.087 -3.063 -4.935 102 HD1 TRP 14 HD TRP 14 9.047 -2.867 -2.357 103 HE1 TRP 14 1HE TRP 14 7.481 -3.681 -0.450 104 HE3 TRP 14 3HE TRP 14 5.350 -4.838 -5.189 105 HZ2 TRP 14 2HZ TRP 14 5.080 -5.157 -0.246 106 HZ3 TRP 14 3HZ TRP 14 3.463 -5.927 -4.108 107 HH2 TRP 14 HH TRP 14 3.311 -6.072 -1.677 108 H LEU 15 H LEU 15 9.277 -1.927 -7.189 109 HA LEU 15 HA LEU 15 10.508 0.366 -6.232 110 1HB LEU 15 2HB LEU 15 10.587 -0.626 -9.143 111 2HB LEU 15 1HB LEU 15 11.803 0.405 -8.322 112 HG LEU 15 HG LEU 15 11.082 -2.465 -7.645 113 1HD1 LEU 15 1HD1 LEU 15 12.191 -2.247 -9.875 114 2HD1 LEU 15 2HD1 LEU 15 13.252 -3.096 -8.697 115 3HD1 LEU 15 3HD1 LEU 15 13.570 -1.368 -9.111 116 1HD2 LEU 15 1HD2 LEU 15 13.396 -0.687 -6.597 117 2HD2 LEU 15 2HD2 LEU 15 13.212 -2.436 -6.240 118 3HD2 LEU 15 3HD2 LEU 15 11.993 -1.261 -5.623 119 H THR 16 H THR 16 8.371 -0.077 -8.955 120 HA THR 16 HA THR 16 8.530 2.538 -9.922 121 HB THR 16 HB THR 16 6.186 0.692 -10.413 122 HG1 THR 16 1HG THR 16 7.987 -0.364 -11.001 123 1HG2 THR 16 1HG2 THR 16 5.863 3.069 -11.222 124 2HG2 THR 16 2HG2 THR 16 6.197 1.979 -12.611 125 3HG2 THR 16 3HG2 THR 16 7.504 3.040 -11.972 126 H ILE 17 H ILE 17 6.024 1.108 -7.808 127 HA ILE 17 HA ILE 17 4.430 3.367 -7.593 128 HB ILE 17 HB ILE 17 4.959 1.096 -5.666 129 1HG1 ILE 17 2HG1 ILE 17 2.489 1.542 -7.417 130 2HG1 ILE 17 1HG1 ILE 17 3.905 0.626 -8.013 131 1HG2 ILE 17 1HG2 ILE 17 2.739 3.256 -5.651 132 2HG2 ILE 17 2HG2 ILE 17 4.001 3.023 -4.377 133 3HG2 ILE 17 3HG2 ILE 17 2.748 1.783 -4.620 134 1HD1 ILE 17 1HD1 ILE 17 3.774 -0.914 -6.029 135 2HD1 ILE 17 2HD1 ILE 17 2.294 -0.984 -7.033 136 3HD1 ILE 17 3HD1 ILE 17 2.271 -0.086 -5.483 137 H GLU 18 H GLU 18 7.121 2.217 -5.507 138 HA GLU 18 HA GLU 18 7.061 4.347 -3.747 139 1HB GLU 18 2HB GLU 18 8.448 2.160 -3.600 140 2HB GLU 18 1HB GLU 18 9.601 2.946 -4.684 141 1HG GLU 18 2HG GLU 18 9.313 4.948 -2.753 142 2HG GLU 18 1HG GLU 18 8.935 3.505 -1.764 143 H GLU 19 H GLU 19 8.988 3.994 -6.728 144 HA GLU 19 HA GLU 19 10.309 6.398 -6.535 145 1HB GLU 19 2HB GLU 19 10.838 4.411 -8.037 146 2HB GLU 19 1HB GLU 19 9.540 4.989 -9.126 147 1HG GLU 19 2HG GLU 19 10.946 7.300 -9.042 148 2HG GLU 19 1HG GLU 19 12.259 6.265 -8.408 149 H ARG 20 H ARG 20 7.184 5.802 -8.295 150 HA ARG 20 HA ARG 20 7.186 8.461 -9.208 151 1HB ARG 20 2HB ARG 20 5.818 6.490 -10.231 152 2HB ARG 20 1HB ARG 20 4.663 6.810 -8.939 153 1HG ARG 20 2HG ARG 20 4.257 7.774 -11.223 154 2HG ARG 20 1HG ARG 20 4.100 8.945 -9.898 155 1HD ARG 20 2HD ARG 20 6.790 8.811 -11.361 156 2HD ARG 20 1HD ARG 20 5.357 9.352 -12.328 157 HE ARG 20 HE ARG 20 4.968 10.808 -10.073 158 1HH1 ARG 20 1HH1 ARG 20 8.013 10.525 -11.973 159 2HH1 ARG 20 2HH1 ARG 20 8.749 11.799 -11.051 160 1HH2 ARG 20 1HH2 ARG 20 5.851 12.661 -9.260 161 2HH2 ARG 20 2HH2 ARG 20 7.389 13.255 -9.879 162 H LEU 21 H LEU 21 5.768 6.991 -6.264 163 HA LEU 21 HA LEU 21 4.616 9.396 -5.386 164 1HB LEU 21 2HB LEU 21 5.576 6.855 -4.051 165 2HB LEU 21 1HB LEU 21 4.973 8.212 -3.048 166 HG LEU 21 HG LEU 21 3.323 7.185 -5.384 167 1HD1 LEU 21 1HD1 LEU 21 3.907 5.195 -3.964 168 2HD1 LEU 21 2HD1 LEU 21 2.153 5.618 -3.893 169 3HD1 LEU 21 3HD1 LEU 21 3.242 6.053 -2.520 170 1HD2 LEU 21 1HD2 LEU 21 2.544 8.544 -2.727 171 2HD2 LEU 21 2HD2 LEU 21 1.415 8.035 -4.037 172 3HD2 LEU 21 3HD2 LEU 21 2.617 9.340 -4.344 173 H ASP 22 H ASP 22 7.788 7.997 -4.428 174 HA ASP 22 HA ASP 22 8.630 9.992 -2.844 175 1HB ASP 22 2HB ASP 22 9.489 7.621 -3.293 176 2HB ASP 22 1HB ASP 22 10.352 8.273 -4.724 177 H ASP 23 H ASP 23 8.925 9.907 -6.405 178 HA ASP 23 HA ASP 23 10.595 12.167 -6.465 179 1HB ASP 23 2HB ASP 23 10.551 10.294 -8.118 180 2HB ASP 23 1HB ASP 23 8.971 10.891 -8.717 181 H TRP 24 H TRP 24 7.344 12.216 -5.598 182 HA TRP 24 HA TRP 24 6.712 14.595 -7.055 183 1HB TRP 24 2HB TRP 24 4.990 12.998 -6.175 184 2HB TRP 24 1HB TRP 24 5.453 13.491 -4.521 185 HD1 TRP 24 HD TRP 24 4.176 15.646 -3.594 186 HE1 TRP 24 1HE TRP 24 2.569 17.385 -4.630 187 HE3 TRP 24 3HE TRP 24 4.519 14.241 -8.456 188 HZ2 TRP 24 2HZ TRP 24 1.489 17.950 -7.162 189 HZ3 TRP 24 3HZ TRP 24 3.198 15.433 -10.135 190 HH2 TRP 24 HH TRP 24 1.703 17.246 -9.504 191 H ASP 25 H ASP 25 7.204 16.618 -6.625 192 HA ASP 25 HA ASP 25 7.919 17.380 -3.881 193 1HB ASP 25 2HB ASP 25 9.058 18.345 -6.571 194 2HB ASP 25 1HB ASP 25 9.045 19.426 -5.131 195 H GLY 26 H GLY 26 6.668 18.988 -3.037 196 1HA GLY 26 2HA GLY 26 5.289 20.812 -4.667 197 2HA GLY 26 1HA GLY 26 4.204 19.473 -4.114 198 H ASP 27 H ASP 27 2.952 20.893 -2.822 199 HA ASP 27 HA ASP 27 4.218 22.436 -0.790 200 1HB ASP 27 2HB ASP 27 1.907 22.653 -2.206 201 2HB ASP 27 1HB ASP 27 1.233 21.767 -0.800 202 H SER 28 H SER 28 2.878 19.311 -1.156 203 HA SER 28 HA SER 28 2.679 18.691 1.637 204 1HB SER 28 2HB SER 28 1.708 16.547 0.845 205 2HB SER 28 1HB SER 28 0.954 17.942 0.038 206 HG SER 28 HG SER 28 1.612 16.170 -1.358 207 H ASP 29 H ASP 29 3.349 15.952 1.622 208 HA ASP 29 HA ASP 29 6.103 15.797 0.821 209 1HB ASP 29 2HB ASP 29 5.676 16.706 3.330 210 2HB ASP 29 1HB ASP 29 5.311 14.980 3.682 211 H ILE 30 H ILE 30 6.814 13.372 1.710 212 HA ILE 30 HA ILE 30 4.794 11.474 1.424 213 HB ILE 30 HB ILE 30 4.699 12.150 -0.836 214 1HG1 ILE 30 2HG1 ILE 30 5.326 10.133 -2.047 215 2HG1 ILE 30 1HG1 ILE 30 6.251 9.509 -0.657 216 1HG2 ILE 30 1HG2 ILE 30 6.924 13.289 -1.035 217 2HG2 ILE 30 2HG2 ILE 30 6.572 12.157 -2.380 218 3HG2 ILE 30 3HG2 ILE 30 7.727 11.672 -1.102 219 1HD1 ILE 30 1HD1 ILE 30 3.925 8.516 -0.861 220 2HD1 ILE 30 2HD1 ILE 30 3.217 10.156 -0.648 221 3HD1 ILE 30 3HD1 ILE 30 4.134 9.384 0.699 222 H ASP 31 H ASP 31 5.457 10.082 2.823 223 HA ASP 31 HA ASP 31 8.165 8.966 2.537 224 1HB ASP 31 2HB ASP 31 6.539 9.665 5.012 225 2HB ASP 31 1HB ASP 31 7.510 8.152 5.060 226 H CYS 32 H CYS 32 7.779 7.186 1.216 227 HA CYS 32 HA CYS 32 5.691 5.366 2.097 228 1HB CYS 32 2HB CYS 32 7.817 5.368 -0.071 229 2HB CYS 32 1HB CYS 32 6.725 3.966 0.235 230 HG CYS 32 HG CYS 32 6.058 7.115 -0.567 231 H GLU 33 H GLU 33 6.016 3.575 3.241 232 HA GLU 33 HA GLU 33 8.514 3.434 4.726 233 1HB GLU 33 2HB GLU 33 5.703 3.453 5.338 234 2HB GLU 33 1HB GLU 33 6.292 1.848 5.810 235 1HG GLU 33 2HG GLU 33 7.538 4.549 6.705 236 2HG GLU 33 1HG GLU 33 6.366 3.574 7.662 237 H ILE 34 H ILE 34 9.613 1.471 5.069 238 HA ILE 34 HA ILE 34 8.975 -0.575 3.083 239 HB ILE 34 HB ILE 34 11.724 -0.102 4.175 240 1HG1 ILE 34 2HG1 ILE 34 11.202 2.101 3.303 241 2HG1 ILE 34 1HG1 ILE 34 12.400 1.231 2.325 242 1HG2 ILE 34 1HG2 ILE 34 12.324 -1.207 2.010 243 2HG2 ILE 34 2HG2 ILE 34 10.577 -1.356 1.601 244 3HG2 ILE 34 3HG2 ILE 34 11.251 -2.232 3.023 245 1HD1 ILE 34 1HD1 ILE 34 10.620 0.699 0.600 246 2HD1 ILE 34 2HD1 ILE 34 10.883 2.460 0.844 247 3HD1 ILE 34 3HD1 ILE 34 9.445 1.672 1.573 248 H ASN 35 H ASN 35 8.122 -2.125 4.156 249 HA ASN 35 HA ASN 35 9.586 -3.254 6.454 250 1HB ASN 35 2HB ASN 35 6.537 -2.929 6.376 251 2HB ASN 35 1HB ASN 35 7.436 -3.893 7.600 252 1HD2 ASN 35 1HD2 ASN 35 6.353 -0.705 6.759 253 2HD2 ASN 35 2HD2 ASN 35 7.362 0.189 7.865 254 H GLY 36 H GLY 36 8.414 -5.599 6.941 255 1HA GLY 36 2HA GLY 36 9.713 -6.969 4.885 256 2HA GLY 36 1HA GLY 36 8.865 -7.630 6.317 257 H GLY 37 H GLY 37 8.719 -6.914 2.956 258 1HA GLY 37 2HA GLY 37 7.434 -7.667 1.318 259 2HA GLY 37 1HA GLY 37 6.421 -8.574 2.502 260 H VAL 38 H VAL 38 7.109 -5.155 2.864 261 HA VAL 38 HA VAL 38 4.322 -4.505 2.228 262 HB VAL 38 HB VAL 38 5.899 -4.118 4.784 263 1HG1 VAL 38 1HG1 VAL 38 3.745 -2.935 5.593 264 2HG1 VAL 38 2HG1 VAL 38 3.258 -2.828 3.858 265 3HG1 VAL 38 3HG1 VAL 38 4.736 -1.985 4.441 266 1HG2 VAL 38 1HG2 VAL 38 3.209 -5.518 4.218 267 2HG2 VAL 38 2HG2 VAL 38 3.949 -5.271 5.840 268 3HG2 VAL 38 3HG2 VAL 38 4.768 -6.329 4.648 269 H LEU 39 H LEU 39 4.145 -2.616 1.061 270 HA LEU 39 HA LEU 39 5.977 -0.499 1.858 271 1HB LEU 39 2HB LEU 39 4.536 -1.049 -0.750 272 2HB LEU 39 1HB LEU 39 4.872 0.642 -0.286 273 HG LEU 39 HG LEU 39 7.110 -1.408 -0.351 274 1HD1 LEU 39 1HD1 LEU 39 6.103 0.440 -2.642 275 2HD1 LEU 39 2HD1 LEU 39 6.166 -1.371 -2.649 276 3HD1 LEU 39 3HD1 LEU 39 7.691 -0.412 -2.653 277 1HD2 LEU 39 1HD2 LEU 39 7.610 0.676 0.887 278 2HD2 LEU 39 2HD2 LEU 39 7.047 1.679 -0.504 279 3HD2 LEU 39 3HD2 LEU 39 8.530 0.665 -0.664 280 H THR 40 H THR 40 5.055 1.052 2.910 281 HA THR 40 HA THR 40 2.091 1.237 2.870 282 HB THR 40 HB THR 40 3.602 2.061 5.351 283 HG1 THR 40 1HG THR 40 3.204 0.058 6.184 284 1HG2 THR 40 1HG2 THR 40 1.127 2.677 4.930 285 2HG2 THR 40 2HG2 THR 40 1.320 1.527 6.316 286 3HG2 THR 40 3HG2 THR 40 0.786 0.919 4.714 287 H ILE 41 H ILE 41 1.396 3.072 2.085 288 HA ILE 41 HA ILE 41 3.419 5.060 1.520 289 HB ILE 41 HB ILE 41 0.584 4.591 0.581 290 1HG1 ILE 41 2HG1 ILE 41 3.226 4.174 -0.909 291 2HG1 ILE 41 1HG1 ILE 41 2.384 2.865 -0.044 292 1HG2 ILE 41 1HG2 ILE 41 2.697 6.649 -0.356 293 2HG2 ILE 41 2HG2 ILE 41 1.115 7.026 0.431 294 3HG2 ILE 41 3HG2 ILE 41 1.148 6.303 -1.200 295 1HD1 ILE 41 1HD1 ILE 41 1.148 4.449 -2.365 296 2HD1 ILE 41 2HD1 ILE 41 0.353 3.121 -1.430 297 3HD1 ILE 41 3HD1 ILE 41 1.815 2.780 -2.424 298 H THR 42 H THR 42 3.636 6.837 2.801 299 HA THR 42 HA THR 42 1.174 7.815 4.069 300 HB THR 42 HB THR 42 2.190 8.495 6.039 301 HG1 THR 42 1HG THR 42 4.537 7.601 4.825 302 1HG2 THR 42 1HG2 THR 42 2.600 6.309 7.080 303 2HG2 THR 42 2HG2 THR 42 2.888 5.543 5.475 304 3HG2 THR 42 3HG2 THR 42 1.244 6.170 5.892 305 H PHE 43 H PHE 43 0.627 9.836 3.717 306 HA PHE 43 HA PHE 43 2.783 11.695 3.008 307 1HB PHE 43 2HB PHE 43 1.001 12.985 1.669 308 2HB PHE 43 1HB PHE 43 1.702 11.506 0.963 309 HD1 PHE 43 1HD PHE 43 0.364 9.832 0.218 310 HD2 PHE 43 2HD PHE 43 -1.250 12.663 2.936 311 HE1 PHE 43 1HE PHE 43 -1.861 8.879 -0.122 312 HE2 PHE 43 2HE PHE 43 -3.490 11.717 2.599 313 HZ PHE 43 HZ PHE 43 -3.788 9.801 1.085 314 H GLU 44 H GLU 44 2.093 14.061 3.456 315 HA GLU 44 HA GLU 44 2.118 14.144 6.128 316 1HB GLU 44 2HB GLU 44 2.669 16.386 5.670 317 2HB GLU 44 1HB GLU 44 3.133 15.444 4.236 318 1HG GLU 44 2HG GLU 44 2.224 17.205 3.164 319 2HG GLU 44 1HG GLU 44 0.745 16.179 3.236 320 H ASN 45 H ASN 45 -0.570 14.659 4.023 321 HA ASN 45 HA ASN 45 -2.372 15.679 5.916 322 1HB ASN 45 2HB ASN 45 -2.645 14.361 3.190 323 2HB ASN 45 1HB ASN 45 -4.118 14.509 4.194 324 1HD2 ASN 45 1HD2 ASN 45 -2.069 16.271 2.005 325 2HD2 ASN 45 2HD2 ASN 45 -2.769 17.823 2.343 326 H GLY 46 H GLY 46 -1.030 12.613 6.051 327 1HA GLY 46 2HA GLY 46 -1.210 11.624 8.040 328 2HA GLY 46 1HA GLY 46 -2.849 12.273 8.272 329 H SER 47 H SER 47 -2.314 10.577 5.309 330 HA SER 47 HA SER 47 -4.039 8.485 6.321 331 1HB SER 47 2HB SER 47 -4.387 9.775 4.102 332 2HB SER 47 1HB SER 47 -3.101 8.721 3.442 333 HG SER 47 HG SER 47 -5.688 8.130 4.367 334 H LYS 48 H LYS 48 -3.627 6.410 4.822 335 HA LYS 48 HA LYS 48 -0.975 5.430 4.951 336 1HB LYS 48 2HB LYS 48 -1.191 3.750 6.679 337 2HB LYS 48 1HB LYS 48 -1.264 5.404 7.327 338 1HG LYS 48 2HG LYS 48 -3.735 3.635 6.904 339 2HG LYS 48 1HG LYS 48 -2.771 3.687 8.397 340 1HD LYS 48 2HD LYS 48 -3.364 6.021 8.805 341 2HD LYS 48 1HD LYS 48 -4.194 6.132 7.213 342 1HE LYS 48 2HE LYS 48 -5.802 4.330 7.904 343 2HE LYS 48 1HE LYS 48 -5.080 4.343 9.561 344 1HZ LYS 48 1HZ LYS 48 -6.125 6.819 8.264 345 2HZ LYS 48 2HZ LYS 48 -5.804 6.528 9.891 346 3HZ LYS 48 3HZ LYS 48 -7.109 5.748 9.082 347 H ILE 49 H ILE 49 -1.050 4.597 2.968 348 HA ILE 49 HA ILE 49 -3.293 2.847 2.268 349 HB ILE 49 HB ILE 49 -1.430 3.559 0.157 350 1HG1 ILE 49 2HG1 ILE 49 -1.115 5.646 1.449 351 2HG1 ILE 49 1HG1 ILE 49 -1.779 5.803 -0.183 352 1HG2 ILE 49 1HG2 ILE 49 -3.524 4.129 -1.008 353 2HG2 ILE 49 2HG2 ILE 49 -4.450 4.054 0.535 354 3HG2 ILE 49 3HG2 ILE 49 -3.714 2.560 -0.145 355 1HD1 ILE 49 1HD1 ILE 49 -3.999 6.336 0.568 356 2HD1 ILE 49 2HD1 ILE 49 -2.862 7.347 1.526 357 3HD1 ILE 49 3HD1 ILE 49 -3.622 5.907 2.283 358 H ILE 50 H ILE 50 -2.811 0.588 2.283 359 HA ILE 50 HA ILE 50 0.013 0.008 2.659 360 HB ILE 50 HB ILE 50 -1.136 -0.201 4.627 361 1HG1 ILE 50 2HG1 ILE 50 -1.246 -2.670 5.085 362 2HG1 ILE 50 1HG1 ILE 50 -1.041 -2.954 3.332 363 1HG2 ILE 50 1HG2 ILE 50 -3.503 -0.095 3.876 364 2HG2 ILE 50 2HG2 ILE 50 -3.261 -1.581 4.838 365 3HG2 ILE 50 3HG2 ILE 50 -3.326 -1.694 3.046 366 1HD1 ILE 50 1HD1 ILE 50 1.147 -3.160 4.654 367 2HD1 ILE 50 2HD1 ILE 50 0.977 -1.433 5.162 368 3HD1 ILE 50 3HD1 ILE 50 1.254 -1.832 3.447 369 H ILE 51 H ILE 51 1.032 -1.241 1.380 370 HA ILE 51 HA ILE 51 -0.398 -3.017 -0.464 371 HB ILE 51 HB ILE 51 2.211 -1.589 -1.025 372 1HG1 ILE 51 2HG1 ILE 51 -0.715 -0.873 -1.458 373 2HG1 ILE 51 1HG1 ILE 51 0.551 0.117 -0.735 374 1HG2 ILE 51 1HG2 ILE 51 1.632 -2.379 -3.358 375 2HG2 ILE 51 2HG2 ILE 51 0.162 -3.193 -2.719 376 3HG2 ILE 51 3HG2 ILE 51 1.807 -3.765 -2.252 377 1HD1 ILE 51 1HD1 ILE 51 0.089 0.980 -3.013 378 2HD1 ILE 51 2HD1 ILE 51 0.260 -0.677 -3.709 379 3HD1 ILE 51 3HD1 ILE 51 1.714 0.174 -3.062 380 H ASN 52 H ASN 52 0.151 -5.026 -0.502 381 HA ASN 52 HA ASN 52 2.520 -6.095 0.626 382 1HB ASN 52 2HB ASN 52 1.620 -5.398 2.715 383 2HB ASN 52 1HB ASN 52 -0.046 -5.855 2.269 384 1HD2 ASN 52 1HD2 ASN 52 3.218 -7.536 2.606 385 2HD2 ASN 52 2HD2 ASN 52 2.522 -8.891 3.463 386 H ARG 53 H ARG 53 2.045 -8.572 0.880 387 HA ARG 53 HA ARG 53 0.662 -9.429 -1.570 388 1HB ARG 53 2HB ARG 53 2.531 -8.184 -2.429 389 2HB ARG 53 1HB ARG 53 3.540 -8.731 -1.097 390 1HG ARG 53 2HG ARG 53 3.455 -11.132 -2.235 391 2HG ARG 53 1HG ARG 53 2.580 -10.320 -3.565 392 1HD ARG 53 2HD ARG 53 4.953 -10.578 -4.185 393 2HD ARG 53 1HD ARG 53 4.614 -8.818 -3.910 394 HE ARG 53 HE ARG 53 5.494 -10.271 -1.481 395 1HH1 ARG 53 1HH1 ARG 53 7.018 -8.644 -4.255 396 2HH1 ARG 53 2HH1 ARG 53 7.972 -7.664 -3.301 397 1HH2 ARG 53 1HH2 ARG 53 7.280 -9.472 -0.387 398 2HH2 ARG 53 2HH2 ARG 53 8.086 -8.054 -1.034 399 H GLN 54 H GLN 54 0.292 -11.466 -1.790 400 HA GLN 54 HA GLN 54 1.068 -13.235 0.401 401 1HB GLN 54 2HB GLN 54 -1.237 -12.865 -1.488 402 2HB GLN 54 1HB GLN 54 -0.827 -14.553 -1.132 403 1HG GLN 54 2HG GLN 54 -1.268 -12.499 1.117 404 2HG GLN 54 1HG GLN 54 -2.659 -13.298 0.295 405 1HE2 GLN 54 1HE2 GLN 54 -3.356 -15.187 1.144 406 2HE2 GLN 54 2HE2 GLN 54 -2.377 -16.343 1.999 407 H GLU 55 H GLU 55 2.662 -14.542 -0.013 408 HA GLU 55 HA GLU 55 3.741 -15.129 -2.484 409 1HB GLU 55 2HB GLU 55 3.864 -16.580 0.164 410 2HB GLU 55 1HB GLU 55 4.700 -17.209 -1.286 411 1HG GLU 55 2HG GLU 55 5.969 -15.095 -1.562 412 2HG GLU 55 1HG GLU 55 5.120 -14.387 -0.151 413 HA PRO 56 HA PRO 56 1.023 -18.549 -3.634 414 1HB PRO 56 2HB PRO 56 -1.336 -19.165 -2.433 415 2HB PRO 56 1HB PRO 56 0.233 -19.772 -1.777 416 1HG PRO 56 2HG PRO 56 -1.320 -17.294 -0.833 417 2HG PRO 56 1HG PRO 56 -0.696 -18.664 0.188 418 1HD PRO 56 2HD PRO 56 0.702 -16.291 -0.224 419 2HD PRO 56 1HD PRO 56 1.571 -17.877 -0.022 420 H LEU 57 H LEU 57 -0.786 -18.358 -5.191 421 HA LEU 57 HA LEU 57 -1.799 -17.313 -6.622 422 1HB LEU 57 2HB LEU 57 -2.997 -15.645 -4.415 423 2HB LEU 57 1HB LEU 57 -3.460 -15.535 -6.142 424 HG LEU 57 HG LEU 57 -3.694 -18.165 -5.970 425 1HD1 LEU 57 1HD1 LEU 57 -4.754 -18.849 -3.785 426 2HD1 LEU 57 2HD1 LEU 57 -4.285 -17.263 -3.074 427 3HD1 LEU 57 3HD1 LEU 57 -3.012 -18.433 -3.592 428 1HD2 LEU 57 1HD2 LEU 57 -6.141 -17.809 -5.542 429 2HD2 LEU 57 2HD2 LEU 57 -5.472 -16.546 -6.643 430 3HD2 LEU 57 3HD2 LEU 57 -5.789 -16.156 -4.909 431 H HIS 58 H HIS 58 -1.683 -16.079 -8.171 432 HA HIS 58 HA HIS 58 0.663 -14.478 -8.471 433 1HB HIS 58 2HB HIS 58 -1.674 -14.846 -10.388 434 2HB HIS 58 1HB HIS 58 -0.012 -14.318 -10.819 435 HD1 HIS 58 1HD HIS 58 -1.809 -16.941 -11.640 436 HD2 HIS 58 2HD HIS 58 1.796 -16.738 -9.506 437 HE1 HIS 58 1HE HIS 58 -0.646 -19.163 -11.937 438 H GLN 59 H GLN 59 -0.947 -12.955 -6.542 439 HA GLN 59 HA GLN 59 -1.592 -10.620 -8.111 440 1HB GLN 59 2HB GLN 59 -3.817 -10.429 -6.861 441 2HB GLN 59 1HB GLN 59 -3.727 -11.558 -8.233 442 1HG GLN 59 2HG GLN 59 -3.621 -13.516 -6.792 443 2HG GLN 59 1HG GLN 59 -3.333 -12.495 -5.333 444 1HE2 GLN 59 1HE2 GLN 59 -5.791 -12.261 -8.016 445 2HE2 GLN 59 2HE2 GLN 59 -7.161 -12.410 -6.966 446 H VAL 60 H VAL 60 -1.960 -8.760 -6.756 447 HA VAL 60 HA VAL 60 -0.546 -8.991 -4.168 448 HB VAL 60 HB VAL 60 -0.462 -6.874 -6.311 449 1HG1 VAL 60 1HG1 VAL 60 -0.272 -5.701 -4.091 450 2HG1 VAL 60 2HG1 VAL 60 1.314 -5.766 -4.896 451 3HG1 VAL 60 3HG1 VAL 60 0.966 -6.911 -3.552 452 1HG2 VAL 60 1HG2 VAL 60 2.006 -7.436 -6.318 453 2HG2 VAL 60 2HG2 VAL 60 0.972 -8.800 -6.873 454 3HG2 VAL 60 3HG2 VAL 60 1.671 -8.807 -5.198 455 H TRP 61 H TRP 61 -1.253 -7.118 -2.615 456 HA TRP 61 HA TRP 61 -4.113 -6.690 -3.023 457 1HB TRP 61 2HB TRP 61 -4.529 -7.384 -1.007 458 2HB TRP 61 1HB TRP 61 -2.867 -8.018 -0.939 459 HD1 TRP 61 HD TRP 61 -1.282 -5.528 -0.293 460 HE1 TRP 61 1HE TRP 61 -1.858 -3.816 1.619 461 HE3 TRP 61 3HE TRP 61 -5.828 -7.238 1.006 462 HZ2 TRP 61 2HZ TRP 61 -3.531 -3.980 3.956 463 HZ3 TRP 61 3HZ TRP 61 -6.820 -6.540 3.129 464 HH2 TRP 61 HH TRP 61 -5.685 -4.947 4.586 465 H LEU 62 H LEU 62 -5.010 -4.512 -2.576 466 HA LEU 62 HA LEU 62 -3.091 -2.815 -1.370 467 1HB LEU 62 2HB LEU 62 -3.101 -0.981 -2.761 468 2HB LEU 62 1HB LEU 62 -2.750 -2.392 -3.811 469 HG LEU 62 HG LEU 62 -5.600 -1.293 -3.613 470 1HD1 LEU 62 1HD1 LEU 62 -3.363 -0.215 -5.445 471 2HD1 LEU 62 2HD1 LEU 62 -4.145 0.683 -4.090 472 3HD1 LEU 62 3HD1 LEU 62 -5.113 0.213 -5.534 473 1HD2 LEU 62 1HD2 LEU 62 -5.081 -3.493 -4.727 474 2HD2 LEU 62 2HD2 LEU 62 -4.015 -2.617 -5.896 475 3HD2 LEU 62 3HD2 LEU 62 -5.796 -2.257 -5.854 476 H ALA 63 H ALA 63 -3.941 -1.920 0.208 477 HA ALA 63 HA ALA 63 -6.856 -1.449 0.237 478 1HB ALA 63 1HB ALA 63 -5.236 -2.256 2.691 479 2HB ALA 63 2HB ALA 63 -6.324 -3.327 1.744 480 3HB ALA 63 3HB ALA 63 -7.001 -1.912 2.626 481 H THR 64 H THR 64 -7.708 0.287 1.385 482 HA THR 64 HA THR 64 -5.979 2.620 1.045 483 HB THR 64 HB THR 64 -7.656 3.508 -0.496 484 HG1 THR 64 1HG THR 64 -9.239 2.090 -1.269 485 1HG2 THR 64 1HG2 THR 64 -6.768 0.683 -1.385 486 2HG2 THR 64 2HG2 THR 64 -5.716 2.148 -1.404 487 3HG2 THR 64 3HG2 THR 64 -7.196 2.067 -2.430 488 H LYS 65 H LYS 65 -8.391 4.276 0.900 489 HA LYS 65 HA LYS 65 -8.819 4.909 3.534 490 1HB LYS 65 2HB LYS 65 -8.995 6.332 1.528 491 2HB LYS 65 1HB LYS 65 -10.565 5.604 1.140 492 1HG LYS 65 2HG LYS 65 -9.933 6.981 3.831 493 2HG LYS 65 1HG LYS 65 -10.444 7.864 2.366 494 1HD LYS 65 2HD LYS 65 -12.492 6.329 2.232 495 2HD LYS 65 1HD LYS 65 -12.126 5.849 3.926 496 1HE LYS 65 2HE LYS 65 -12.332 8.271 4.635 497 2HE LYS 65 1HE LYS 65 -12.661 8.729 2.916 498 1HZ LYS 65 1HZ LYS 65 -14.565 7.163 2.997 499 2HZ LYS 65 2HZ LYS 65 -14.725 8.485 4.005 500 3HZ LYS 65 3HZ LYS 65 -14.309 6.989 4.675 501 H GLN 66 H GLN 66 -11.287 3.504 1.293 502 HA GLN 66 HA GLN 66 -12.224 1.929 3.579 503 1HB GLN 66 2HB GLN 66 -13.577 4.001 3.465 504 2HB GLN 66 1HB GLN 66 -14.131 3.522 1.833 505 1HG GLN 66 2HG GLN 66 -15.254 1.504 2.789 506 2HG GLN 66 1HG GLN 66 -14.447 1.769 4.370 507 1HE2 GLN 66 1HE2 GLN 66 -16.329 3.921 2.109 508 2HE2 GLN 66 2HE2 GLN 66 -17.354 4.565 3.349 509 H GLY 67 H GLY 67 -11.639 2.130 0.157 510 1HA GLY 67 2HA GLY 67 -13.230 -0.207 -0.379 511 2HA GLY 67 1HA GLY 67 -12.148 0.695 -1.475 512 H GLY 68 H GLY 68 -10.088 0.090 -1.692 513 1HA GLY 68 2HA GLY 68 -8.461 -1.406 -2.022 514 2HA GLY 68 1HA GLY 68 -8.866 -2.086 -0.415 515 H TYR 69 H TYR 69 -7.882 -3.422 -2.852 516 HA TYR 69 HA TYR 69 -9.264 -5.719 -2.372 517 1HB TYR 69 2HB TYR 69 -10.884 -4.458 -4.161 518 2HB TYR 69 1HB TYR 69 -9.753 -5.250 -5.309 519 HD1 TYR 69 1HD TYR 69 -9.906 -7.551 -5.603 520 HD2 TYR 69 2HD TYR 69 -11.909 -5.834 -2.292 521 HE1 TYR 69 1HE TYR 69 -10.920 -9.725 -5.100 522 HE2 TYR 69 2HE TYR 69 -12.939 -7.991 -1.776 523 HH TYR 69 HH TYR 69 -12.340 -10.844 -3.824 524 H HIS 70 H HIS 70 -8.360 -7.548 -3.864 525 HA HIS 70 HA HIS 70 -5.585 -6.806 -4.416 526 1HB HIS 70 2HB HIS 70 -5.159 -9.274 -4.464 527 2HB HIS 70 1HB HIS 70 -5.692 -8.604 -2.900 528 HD1 HIS 70 1HD HIS 70 -7.408 -10.076 -1.820 529 HD2 HIS 70 2HD HIS 70 -7.723 -10.295 -6.004 530 HE1 HIS 70 1HE HIS 70 -9.263 -11.707 -2.350 531 H PHE 71 H PHE 71 -4.510 -7.761 -6.286 532 HA PHE 71 HA PHE 71 -6.331 -7.416 -8.550 533 1HB PHE 71 2HB PHE 71 -5.082 -5.536 -9.305 534 2HB PHE 71 1HB PHE 71 -5.588 -5.275 -7.579 535 HD1 PHE 71 1HD PHE 71 -3.918 -5.158 -5.809 536 HD2 PHE 71 2HD PHE 71 -2.903 -5.743 -9.862 537 HE1 PHE 71 1HE PHE 71 -1.653 -4.372 -5.332 538 HE2 PHE 71 2HE PHE 71 -0.584 -4.967 -9.413 539 HZ PHE 71 HZ PHE 71 0.031 -4.292 -7.143 540 H ASP 72 H ASP 72 -5.949 -8.264 -10.416 541 HA ASP 72 HA ASP 72 -3.703 -10.134 -10.607 542 1HB ASP 72 2HB ASP 72 -6.476 -10.072 -11.959 543 2HB ASP 72 1HB ASP 72 -5.196 -11.302 -12.284 544 H LEU 73 H LEU 73 -3.217 -10.552 -13.127 545 HA LEU 73 HA LEU 73 -2.947 -7.918 -14.437 546 1HB LEU 73 2HB LEU 73 -0.880 -9.003 -13.697 547 2HB LEU 73 1HB LEU 73 -1.368 -10.520 -14.494 548 HG LEU 73 HG LEU 73 -1.130 -9.502 -16.714 549 1HD1 LEU 73 1HD1 LEU 73 -0.062 -7.239 -16.994 550 2HD1 LEU 73 2HD1 LEU 73 -0.258 -6.941 -15.218 551 3HD1 LEU 73 3HD1 LEU 73 -1.706 -7.125 -16.282 552 1HD2 LEU 73 1HD2 LEU 73 1.288 -9.050 -14.855 553 2HD2 LEU 73 2HD2 LEU 73 1.357 -9.254 -16.653 554 3HD2 LEU 73 3HD2 LEU 73 0.799 -10.611 -15.608 555 H LYS 74 H LYS 74 -4.390 -7.590 -16.056 556 HA LYS 74 HA LYS 74 -5.016 -9.727 -17.863 557 1HB LYS 74 2HB LYS 74 -5.225 -6.706 -17.936 558 2HB LYS 74 1HB LYS 74 -5.585 -7.691 -19.393 559 1HG LYS 74 2HG LYS 74 -7.310 -8.974 -18.160 560 2HG LYS 74 1HG LYS 74 -7.024 -7.970 -16.706 561 1HD LYS 74 2HD LYS 74 -7.650 -5.919 -18.021 562 2HD LYS 74 1HD LYS 74 -7.970 -6.947 -19.458 563 1HE LYS 74 2HE LYS 74 -9.779 -8.167 -18.199 564 2HE LYS 74 1HE LYS 74 -9.441 -7.173 -16.737 565 1HZ LYS 74 1HZ LYS 74 -10.861 -6.512 -19.158 566 2HZ LYS 74 2HZ LYS 74 -9.875 -5.259 -18.596 567 3HZ LYS 74 3HZ LYS 74 -11.034 -5.947 -17.572 568 H GLY 75 H GLY 75 -3.549 -6.892 -19.316 569 1HA GLY 75 2HA GLY 75 -1.292 -8.597 -20.157 570 2HA GLY 75 1HA GLY 75 -2.321 -7.616 -21.249 571 H ASP 76 H ASP 76 -2.477 -5.225 -20.306 572 HA ASP 76 HA ASP 76 0.283 -4.261 -19.934 573 1HB ASP 76 2HB ASP 76 -2.224 -2.955 -21.180 574 2HB ASP 76 1HB ASP 76 -0.629 -2.144 -20.995 575 H GLU 77 H GLU 77 -2.343 -5.042 -18.139 576 HA GLU 77 HA GLU 77 -2.363 -2.662 -16.476 577 1HB GLU 77 2HB GLU 77 -4.767 -2.446 -16.621 578 2HB GLU 77 1HB GLU 77 -3.950 -1.986 -18.127 579 1HG GLU 77 2HG GLU 77 -5.332 -4.709 -17.713 580 2HG GLU 77 1HG GLU 77 -6.131 -3.259 -18.400 581 H TRP 78 H TRP 78 -2.190 -3.254 -14.597 582 HA TRP 78 HA TRP 78 -3.002 -5.919 -13.690 583 1HB TRP 78 2HB TRP 78 -1.488 -3.547 -12.452 584 2HB TRP 78 1HB TRP 78 -2.148 -4.865 -11.450 585 HD1 TRP 78 HD TRP 78 0.746 -4.223 -13.951 586 HE1 TRP 78 1HE TRP 78 2.491 -6.043 -13.509 587 HE3 TRP 78 3HE TRP 78 -2.043 -7.254 -10.974 588 HZ2 TRP 78 2HZ TRP 78 2.635 -8.476 -12.048 589 HZ3 TRP 78 3HZ TRP 78 -1.019 -9.238 -10.008 590 HH2 TRP 78 HH TRP 78 1.282 -9.833 -10.502 591 H ILE 79 H ILE 79 -5.129 -6.180 -12.874 592 HA ILE 79 HA ILE 79 -6.589 -3.686 -12.551 593 HB ILE 79 HB ILE 79 -8.261 -4.349 -13.826 594 1HG1 ILE 79 2HG1 ILE 79 -8.749 -6.540 -13.219 595 2HG1 ILE 79 1HG1 ILE 79 -8.572 -6.471 -14.987 596 1HG2 ILE 79 1HG2 ILE 79 -7.387 -4.589 -16.034 597 2HG2 ILE 79 2HG2 ILE 79 -5.859 -5.317 -15.432 598 3HG2 ILE 79 3HG2 ILE 79 -6.242 -3.587 -15.070 599 1HD1 ILE 79 1HD1 ILE 79 -7.556 -8.565 -14.303 600 2HD1 ILE 79 2HD1 ILE 79 -6.625 -7.787 -12.985 601 3HD1 ILE 79 3HD1 ILE 79 -6.184 -7.464 -14.705 602 H CYS 80 H CYS 80 -8.085 -3.531 -10.995 603 HA CYS 80 HA CYS 80 -7.629 -5.293 -8.877 604 1HB CYS 80 2HB CYS 80 -9.543 -2.946 -9.196 605 2HB CYS 80 1HB CYS 80 -9.361 -3.803 -7.653 606 HG CYS 80 HG CYS 80 -6.789 -3.392 -7.392 607 H ASP 81 H ASP 81 -8.956 -6.981 -7.989 608 HA ASP 81 HA ASP 81 -10.973 -7.906 -9.745 609 1HB ASP 81 2HB ASP 81 -9.145 -9.236 -8.646 610 2HB ASP 81 1HB ASP 81 -9.943 -8.971 -7.058 611 H ARG 82 H ARG 82 -12.119 -5.699 -9.166 612 HA ARG 82 HA ARG 82 -14.360 -6.392 -7.497 613 1HB ARG 82 2HB ARG 82 -12.222 -5.087 -6.326 614 2HB ARG 82 1HB ARG 82 -13.231 -3.698 -6.712 615 1HG ARG 82 2HG ARG 82 -14.232 -6.241 -5.252 616 2HG ARG 82 1HG ARG 82 -13.371 -4.952 -4.390 617 1HD ARG 82 2HD ARG 82 -16.056 -4.493 -5.852 618 2HD ARG 82 1HD ARG 82 -15.827 -4.808 -4.079 619 HE ARG 82 HE ARG 82 -14.023 -2.736 -4.624 620 1HH1 ARG 82 1HH1 ARG 82 -17.577 -3.070 -4.343 621 2HH1 ARG 82 2HH1 ARG 82 -17.776 -1.381 -4.074 622 1HH2 ARG 82 1HH2 ARG 82 -14.308 -0.723 -4.051 623 2HH2 ARG 82 2HH2 ARG 82 -15.904 -0.017 -3.857 624 H SER 83 H SER 83 -15.202 -3.466 -7.468 625 HA SER 83 HA SER 83 -16.549 -3.662 -9.919 626 1HB SER 83 2HB SER 83 -17.601 -1.501 -9.196 627 2HB SER 83 1HB SER 83 -17.645 -2.778 -7.944 628 HG SER 83 HG SER 83 -16.139 -0.430 -8.024 629 H GLY 84 H GLY 84 -13.504 -2.209 -9.149 630 1HA GLY 84 2HA GLY 84 -13.671 -0.619 -11.639 631 2HA GLY 84 1HA GLY 84 -13.049 0.043 -10.081 632 H GLU 85 H GLU 85 -12.523 -2.720 -12.485 633 HA GLU 85 HA GLU 85 -10.152 -3.322 -11.339 634 1HB GLU 85 2HB GLU 85 -9.980 -4.887 -13.021 635 2HB GLU 85 1HB GLU 85 -11.638 -4.854 -12.376 636 1HG GLU 85 2HG GLU 85 -12.401 -3.454 -14.382 637 2HG GLU 85 1HG GLU 85 -10.807 -3.790 -15.153 638 H THR 86 H THR 86 -8.899 -1.576 -11.158 639 HA THR 86 HA THR 86 -6.895 -1.563 -13.138 640 HB THR 86 HB THR 86 -8.044 1.199 -12.444 641 HG1 THR 86 1HG THR 86 -8.837 -0.531 -14.307 642 1HG2 THR 86 1HG2 THR 86 -5.583 1.171 -13.075 643 2HG2 THR 86 2HG2 THR 86 -6.538 1.834 -14.443 644 3HG2 THR 86 3HG2 THR 86 -5.958 0.138 -14.506 645 H PHE 87 H PHE 87 -4.986 -1.548 -12.126 646 HA PHE 87 HA PHE 87 -4.602 -1.213 -9.476 647 1HB PHE 87 2HB PHE 87 -3.214 -2.524 -10.877 648 2HB PHE 87 1HB PHE 87 -2.968 -1.175 -12.023 649 HD1 PHE 87 1HD PHE 87 -2.318 -0.858 -8.323 650 HD2 PHE 87 2HD PHE 87 -0.782 -1.480 -12.246 651 HE1 PHE 87 1HE PHE 87 -0.052 -0.436 -7.514 652 HE2 PHE 87 2HE PHE 87 1.487 -1.157 -11.419 653 HZ PHE 87 HZ PHE 87 1.871 -0.646 -9.068 654 H TRP 88 H TRP 88 -2.821 1.068 -11.625 655 HA TRP 88 HA TRP 88 -2.390 2.683 -9.509 656 1HB TRP 88 2HB TRP 88 -2.188 4.121 -12.122 657 2HB TRP 88 1HB TRP 88 -1.108 3.914 -10.762 658 HD1 TRP 88 HD TRP 88 -2.274 1.656 -13.761 659 HE1 TRP 88 1HE TRP 88 -0.209 0.352 -14.562 660 HE3 TRP 88 3HE TRP 88 1.065 3.314 -10.317 661 HZ2 TRP 88 2HZ TRP 88 2.536 0.208 -13.894 662 HZ3 TRP 88 3HZ TRP 88 3.378 2.573 -10.455 663 HH2 TRP 88 HH TRP 88 4.110 1.030 -12.210 664 H ASP 89 H ASP 89 -4.880 3.007 -11.964 665 HA ASP 89 HA ASP 89 -5.870 5.470 -11.130 666 1HB ASP 89 2HB ASP 89 -7.219 3.118 -12.573 667 2HB ASP 89 1HB ASP 89 -7.952 4.749 -12.389 668 H LEU 90 H LEU 90 -6.663 2.196 -9.758 669 HA LEU 90 HA LEU 90 -8.785 3.299 -8.300 670 1HB LEU 90 2HB LEU 90 -8.608 0.874 -8.697 671 2HB LEU 90 1HB LEU 90 -7.118 0.800 -7.734 672 HG LEU 90 HG LEU 90 -8.368 1.617 -5.733 673 1HD1 LEU 90 1HD1 LEU 90 -10.858 1.331 -7.544 674 2HD1 LEU 90 2HD1 LEU 90 -10.274 2.846 -6.758 675 3HD1 LEU 90 3HD1 LEU 90 -10.925 1.498 -5.758 676 1HD2 LEU 90 1HD2 LEU 90 -9.630 -0.494 -5.258 677 2HD2 LEU 90 2HD2 LEU 90 -8.035 -0.811 -6.044 678 3HD2 LEU 90 3HD2 LEU 90 -9.558 -0.917 -7.010 679 H LEU 91 H LEU 91 -5.427 2.516 -7.693 680 HA LEU 91 HA LEU 91 -5.039 3.455 -5.138 681 1HB LEU 91 2HB LEU 91 -3.449 2.117 -6.418 682 2HB LEU 91 1HB LEU 91 -3.136 3.461 -7.538 683 HG LEU 91 HG LEU 91 -2.671 3.978 -4.597 684 1HD1 LEU 91 1HD1 LEU 91 -0.800 2.224 -6.323 685 2HD1 LEU 91 2HD1 LEU 91 -1.726 1.687 -4.871 686 3HD1 LEU 91 3HD1 LEU 91 -0.399 2.894 -4.700 687 1HD2 LEU 91 1HD2 LEU 91 -2.172 5.793 -6.250 688 2HD2 LEU 91 2HD2 LEU 91 -1.121 4.668 -7.183 689 3HD2 LEU 91 3HD2 LEU 91 -0.628 5.188 -5.539 690 H GLU 92 H GLU 92 -4.796 5.349 -8.155 691 HA GLU 92 HA GLU 92 -4.413 7.819 -7.124 692 1HB GLU 92 2HB GLU 92 -4.545 7.264 -9.585 693 2HB GLU 92 1HB GLU 92 -6.314 7.149 -9.424 694 1HG GLU 92 2HG GLU 92 -5.849 9.675 -8.310 695 2HG GLU 92 1HG GLU 92 -4.511 9.575 -9.476 696 H GLN 93 H GLN 93 -7.670 6.395 -7.771 697 HA GLN 93 HA GLN 93 -9.131 8.466 -6.835 698 1HB GLN 93 2HB GLN 93 -9.828 6.444 -8.131 699 2HB GLN 93 1HB GLN 93 -9.804 5.481 -6.636 700 1HG GLN 93 2HG GLN 93 -11.603 6.883 -5.640 701 2HG GLN 93 1HG GLN 93 -11.559 8.003 -7.049 702 1HE2 GLN 93 1HE2 GLN 93 -11.998 6.982 -9.239 703 2HE2 GLN 93 2HE2 GLN 93 -13.144 5.670 -9.319 704 H ALA 94 H ALA 94 -8.074 5.676 -4.990 705 HA ALA 94 HA ALA 94 -9.002 6.214 -2.438 706 1HB ALA 94 1HB ALA 94 -6.534 4.831 -3.622 707 2HB ALA 94 2HB ALA 94 -8.085 4.082 -3.122 708 3HB ALA 94 3HB ALA 94 -6.950 4.744 -1.876 709 H ALA 95 H ALA 95 -5.694 6.969 -3.724 710 HA ALA 95 HA ALA 95 -5.011 8.187 -1.265 711 1HB ALA 95 1HB ALA 95 -3.545 8.123 -3.955 712 2HB ALA 95 2HB ALA 95 -3.420 6.901 -2.646 713 3HB ALA 95 3HB ALA 95 -2.831 8.575 -2.348 714 H THR 96 H THR 96 -5.964 9.509 -4.447 715 HA THR 96 HA THR 96 -5.647 12.190 -3.735 716 HB THR 96 HB THR 96 -7.295 10.752 -5.805 717 HG1 THR 96 1HG THR 96 -5.285 12.734 -5.860 718 1HG2 THR 96 1HG2 THR 96 -8.728 12.697 -5.292 719 2HG2 THR 96 2HG2 THR 96 -7.822 12.994 -6.802 720 3HG2 THR 96 3HG2 THR 96 -7.298 13.802 -5.278 721 H GLN 97 H GLN 97 -8.414 9.960 -3.195 722 HA GLN 97 HA GLN 97 -9.998 12.103 -2.285 723 1HB GLN 97 2HB GLN 97 -11.615 10.678 -1.474 724 2HB GLN 97 1HB GLN 97 -11.026 10.071 -3.048 725 1HG GLN 97 2HG GLN 97 -9.769 8.276 -1.946 726 2HG GLN 97 1HG GLN 97 -10.203 8.829 -0.298 727 1HE2 GLN 97 1HE2 GLN 97 -12.809 9.121 -2.644 728 2HE2 GLN 97 2HE2 GLN 97 -13.645 7.682 -2.140 729 H GLN 98 H GLN 98 -7.652 10.070 -0.591 730 HA GLN 98 HA GLN 98 -8.302 11.314 1.919 731 1HB GLN 98 2HB GLN 98 -6.098 9.513 0.903 732 2HB GLN 98 1HB GLN 98 -5.937 10.300 2.499 733 1HG GLN 98 2HG GLN 98 -8.436 8.671 1.739 734 2HG GLN 98 1HG GLN 98 -6.961 7.917 2.423 735 1HE2 GLN 98 1HE2 GLN 98 -9.712 10.117 3.201 736 2HE2 GLN 98 2HE2 GLN 98 -9.405 10.096 4.907 737 H ALA 99 H ALA 99 -5.686 11.943 -0.487 738 HA ALA 99 HA ALA 99 -4.569 13.929 1.132 739 1HB ALA 99 1HB ALA 99 -3.132 14.353 -0.840 740 2HB ALA 99 2HB ALA 99 -4.265 13.396 -1.876 741 3HB ALA 99 3HB ALA 99 -3.336 12.591 -0.570 742 H GLY 100 H GLY 100 -6.872 14.187 -1.573 743 1HA GLY 100 2HA GLY 100 -8.274 15.872 -1.996 744 2HA GLY 100 1HA GLY 100 -7.383 16.947 -0.866 745 H GLU 101 H GLU 101 -5.915 15.087 -3.498 746 HA GLU 101 HA GLU 101 -5.617 17.288 -5.243 747 1HB GLU 101 2HB GLU 101 -3.190 17.733 -4.856 748 2HB GLU 101 1HB GLU 101 -4.171 18.162 -3.437 749 1HG GLU 101 2HG GLU 101 -3.586 16.018 -2.310 750 2HG GLU 101 1HG GLU 101 -2.550 15.542 -3.704 751 H THR 102 H THR 102 -3.793 16.797 -6.916 752 HA THR 102 HA THR 102 -4.152 14.199 -7.849 753 HB THR 102 HB THR 102 -1.929 16.096 -8.657 754 HG1 THR 102 1HG THR 102 -4.231 15.907 -10.125 755 1HG2 THR 102 1HG2 THR 102 -1.713 13.750 -9.594 756 2HG2 THR 102 2HG2 THR 102 -2.217 14.896 -10.868 757 3HG2 THR 102 3HG2 THR 102 -3.427 13.796 -10.118 758 H VAL 103 H VAL 103 -3.122 12.309 -7.323 759 HA VAL 103 HA VAL 103 -0.734 12.481 -5.694 760 HB VAL 103 HB VAL 103 -2.858 11.442 -4.911 761 1HG1 VAL 103 1HG1 VAL 103 -2.142 9.160 -6.855 762 2HG1 VAL 103 2HG1 VAL 103 -3.470 10.354 -7.147 763 3HG1 VAL 103 3HG1 VAL 103 -3.532 9.269 -5.724 764 1HG2 VAL 103 1HG2 VAL 103 -0.602 10.980 -3.902 765 2HG2 VAL 103 2HG2 VAL 103 -0.420 9.557 -5.010 766 3HG2 VAL 103 3HG2 VAL 103 -1.748 9.605 -3.797 767 H SER 104 H SER 104 0.855 10.809 -6.147 768 HA SER 104 HA SER 104 1.431 10.982 -9.026 769 1HB SER 104 2HB SER 104 2.725 12.282 -7.331 770 2HB SER 104 1HB SER 104 3.312 10.739 -6.636 771 HG SER 104 HG SER 104 4.726 10.751 -8.103 772 H PHE 105 H PHE 105 0.991 9.097 -10.105 773 HA PHE 105 HA PHE 105 2.165 6.655 -9.062 774 1HB PHE 105 2HB PHE 105 0.008 5.474 -9.559 775 2HB PHE 105 1HB PHE 105 -0.135 6.743 -8.288 776 HD1 PHE 105 1HD PHE 105 -1.216 8.865 -8.771 777 HD2 PHE 105 2HD PHE 105 -0.892 5.884 -11.748 778 HE1 PHE 105 1HE PHE 105 -2.552 10.242 -10.279 779 HE2 PHE 105 2HE PHE 105 -2.271 7.194 -13.257 780 HZ PHE 105 HZ PHE 105 -3.159 9.396 -12.516 781 H ARG 106 H ARG 106 1.018 8.460 -11.874 782 HA ARG 106 HA ARG 106 2.873 6.927 -13.479 783 1HB ARG 106 2HB ARG 106 -0.063 7.270 -14.248 784 2HB ARG 106 1HB ARG 106 1.243 6.849 -15.391 785 1HG ARG 106 2HG ARG 106 1.502 4.960 -13.294 786 2HG ARG 106 1HG ARG 106 -0.254 5.078 -13.576 787 1HD ARG 106 2HD ARG 106 1.808 4.577 -15.823 788 2HD ARG 106 1HD ARG 106 1.021 3.278 -14.839 789 HE ARG 106 HE ARG 106 -1.042 5.013 -15.882 790 1HH1 ARG 106 1HH1 ARG 106 0.914 2.109 -16.550 791 2HH1 ARG 106 2HH1 ARG 106 -0.108 1.603 -17.850 792 1HH2 ARG 106 1HH2 ARG 106 -2.049 4.481 -17.996 793 2HH2 ARG 106 2HH2 ARG 106 -1.886 2.847 -18.505 Start of MODEL 12 1 HA MET 1 HA MET 1 1.265 -20.344 -10.160 2 1HB MET 1 2HB MET 1 -0.183 -17.717 -10.801 3 2HB MET 1 1HB MET 1 0.383 -18.922 -12.001 4 1HG MET 1 2HG MET 1 -1.141 -20.635 -10.887 5 2HG MET 1 1HG MET 1 -1.770 -19.328 -9.844 6 1HE MET 1 1HE MET 1 -3.609 -21.122 -11.234 7 2HE MET 1 2HE MET 1 -4.815 -19.987 -11.933 8 3HE MET 1 3HE MET 1 -4.102 -19.655 -10.321 9 H ASN 2 H ASN 2 3.325 -20.214 -10.732 10 HA ASN 2 HA ASN 2 5.361 -19.552 -10.946 11 1HB ASN 2 2HB ASN 2 4.075 -17.208 -12.405 12 2HB ASN 2 1HB ASN 2 5.739 -17.857 -12.663 13 1HD2 ASN 2 1HD2 ASN 2 2.480 -18.093 -13.711 14 2HD2 ASN 2 2HD2 ASN 2 2.544 -19.675 -14.419 15 H ASP 3 H ASP 3 6.107 -19.268 -8.869 16 HA ASP 3 HA ASP 3 5.930 -16.977 -7.379 17 1HB ASP 3 2HB ASP 3 6.577 -19.175 -6.465 18 2HB ASP 3 1HB ASP 3 8.065 -19.173 -7.465 19 H SER 4 H SER 4 8.621 -17.919 -9.582 20 HA SER 4 HA SER 4 10.207 -15.766 -9.118 21 1HB SER 4 2HB SER 4 9.866 -17.201 -11.801 22 2HB SER 4 1HB SER 4 11.330 -16.339 -11.206 23 HG SER 4 HG SER 4 11.155 -18.713 -10.997 24 H GLU 5 H GLU 5 7.478 -16.009 -11.355 25 HA GLU 5 HA GLU 5 7.954 -13.548 -12.654 26 1HB GLU 5 2HB GLU 5 6.692 -15.458 -13.616 27 2HB GLU 5 1HB GLU 5 5.372 -15.180 -12.436 28 1HG GLU 5 2HG GLU 5 4.886 -12.966 -13.422 29 2HG GLU 5 1HG GLU 5 6.375 -13.049 -14.436 30 H PHE 6 H PHE 6 5.495 -14.489 -10.163 31 HA PHE 6 HA PHE 6 4.599 -12.059 -9.491 32 1HB PHE 6 2HB PHE 6 3.885 -14.372 -8.768 33 2HB PHE 6 1HB PHE 6 5.263 -14.412 -7.629 34 HD1 PHE 6 1HD PHE 6 3.170 -15.120 -6.429 35 HD2 PHE 6 2HD PHE 6 3.844 -11.064 -7.543 36 HE1 PHE 6 1HE PHE 6 1.526 -14.382 -4.791 37 HE2 PHE 6 2HE PHE 6 2.300 -10.331 -5.847 38 HZ PHE 6 HZ PHE 6 1.103 -11.978 -4.463 39 H HIS 7 H HIS 7 7.547 -13.603 -8.119 40 HA HIS 7 HA HIS 7 8.272 -11.532 -6.450 41 1HB HIS 7 2HB HIS 7 9.491 -13.447 -6.034 42 2HB HIS 7 1HB HIS 7 9.558 -13.876 -7.755 43 HD1 HIS 7 1HD HIS 7 11.392 -11.128 -5.682 44 HD2 HIS 7 2HD HIS 7 11.869 -13.818 -8.877 45 HE1 HIS 7 1HE HIS 7 13.746 -10.917 -6.455 46 H ARG 8 H ARG 8 9.259 -11.956 -9.912 47 HA ARG 8 HA ARG 8 10.929 -9.731 -9.863 48 1HB ARG 8 2HB ARG 8 10.775 -11.623 -11.631 49 2HB ARG 8 1HB ARG 8 9.418 -10.715 -12.330 50 1HG ARG 8 2HG ARG 8 11.080 -8.646 -12.294 51 2HG ARG 8 1HG ARG 8 12.359 -9.861 -12.027 52 1HD ARG 8 2HD ARG 8 10.407 -9.717 -14.421 53 2HD ARG 8 1HD ARG 8 12.099 -9.117 -14.433 54 HE ARG 8 HE ARG 8 11.178 -11.902 -14.643 55 1HH1 ARG 8 1HH1 ARG 8 14.121 -10.086 -13.612 56 2HH1 ARG 8 2HH1 ARG 8 15.115 -10.951 -14.709 57 1HH2 ARG 8 1HH2 ARG 8 12.595 -12.878 -16.129 58 2HH2 ARG 8 2HH2 ARG 8 14.279 -12.788 -15.876 59 H LEU 9 H LEU 9 7.544 -10.083 -10.884 60 HA LEU 9 HA LEU 9 7.000 -7.471 -11.566 61 1HB LEU 9 2HB LEU 9 5.285 -9.726 -10.408 62 2HB LEU 9 1HB LEU 9 4.597 -8.167 -10.958 63 HG LEU 9 HG LEU 9 6.168 -10.106 -12.742 64 1HD1 LEU 9 1HD1 LEU 9 4.021 -11.083 -11.949 65 2HD1 LEU 9 2HD1 LEU 9 3.947 -10.692 -13.706 66 3HD1 LEU 9 3HD1 LEU 9 3.131 -9.619 -12.507 67 1HD2 LEU 9 1HD2 LEU 9 6.309 -7.774 -13.608 68 2HD2 LEU 9 2HD2 LEU 9 4.524 -7.574 -13.415 69 3HD2 LEU 9 3HD2 LEU 9 5.179 -8.739 -14.623 70 H ALA 10 H ALA 10 6.405 -9.068 -8.361 71 HA ALA 10 HA ALA 10 5.474 -6.831 -7.109 72 1HB ALA 10 1HB ALA 10 7.089 -9.159 -5.926 73 2HB ALA 10 2HB ALA 10 5.314 -9.146 -6.203 74 3HB ALA 10 3HB ALA 10 6.033 -8.020 -4.993 75 H ASP 11 H ASP 11 8.901 -7.899 -7.301 76 HA ASP 11 HA ASP 11 9.851 -5.864 -5.695 77 1HB ASP 11 2HB ASP 11 10.875 -8.131 -6.750 78 2HB ASP 11 1HB ASP 11 11.567 -6.998 -7.951 79 H GLN 12 H GLN 12 9.356 -5.886 -9.234 80 HA GLN 12 HA GLN 12 10.495 -3.287 -9.445 81 1HB GLN 12 2HB GLN 12 9.902 -3.137 -11.681 82 2HB GLN 12 1HB GLN 12 10.598 -4.745 -11.371 83 1HG GLN 12 2HG GLN 12 8.362 -5.791 -11.450 84 2HG GLN 12 1HG GLN 12 7.564 -4.191 -11.664 85 1HE2 GLN 12 1HE2 GLN 12 8.649 -2.847 -13.594 86 2HE2 GLN 12 2HE2 GLN 12 8.896 -3.778 -15.050 87 H LEU 13 H LEU 13 7.034 -4.347 -9.039 88 HA LEU 13 HA LEU 13 5.930 -1.849 -9.406 89 1HB LEU 13 2HB LEU 13 5.281 -4.272 -7.641 90 2HB LEU 13 1HB LEU 13 4.157 -2.885 -7.837 91 HG LEU 13 HG LEU 13 5.255 -4.607 -10.057 92 1HD1 LEU 13 1HD1 LEU 13 2.501 -4.817 -8.655 93 2HD1 LEU 13 2HD1 LEU 13 3.854 -6.008 -8.552 94 3HD1 LEU 13 3HD1 LEU 13 2.984 -5.763 -10.112 95 1HD2 LEU 13 1HD2 LEU 13 2.880 -2.609 -10.083 96 2HD2 LEU 13 2HD2 LEU 13 3.305 -3.701 -11.450 97 3HD2 LEU 13 3HD2 LEU 13 4.454 -2.414 -10.943 98 H TRP 14 H TRP 14 6.992 -3.557 -6.576 99 HA TRP 14 HA TRP 14 6.519 -1.697 -4.581 100 1HB TRP 14 2HB TRP 14 8.630 -3.859 -4.919 101 2HB TRP 14 1HB TRP 14 8.735 -2.765 -3.530 102 HD1 TRP 14 HD TRP 14 8.633 -4.547 -1.841 103 HE1 TRP 14 1HE TRP 14 6.712 -5.934 -0.800 104 HE3 TRP 14 3HE TRP 14 5.012 -3.742 -5.347 105 HZ2 TRP 14 2HZ TRP 14 4.218 -6.846 -1.568 106 HZ3 TRP 14 3HZ TRP 14 2.942 -4.957 -5.174 107 HH2 TRP 14 HH TRP 14 2.517 -6.508 -3.330 108 H LEU 15 H LEU 15 9.523 -2.066 -6.472 109 HA LEU 15 HA LEU 15 10.861 0.130 -5.446 110 1HB LEU 15 2HB LEU 15 11.903 -1.684 -6.714 111 2HB LEU 15 1HB LEU 15 10.946 -1.273 -8.161 112 HG LEU 15 HG LEU 15 12.162 0.887 -8.376 113 1HD1 LEU 15 1HD1 LEU 15 13.817 -0.090 -5.956 114 2HD1 LEU 15 2HD1 LEU 15 12.756 1.369 -6.004 115 3HD1 LEU 15 3HD1 LEU 15 14.237 1.303 -7.022 116 1HD2 LEU 15 1HD2 LEU 15 12.982 -1.186 -9.521 117 2HD2 LEU 15 2HD2 LEU 15 14.026 -1.557 -8.100 118 3HD2 LEU 15 3HD2 LEU 15 14.335 -0.079 -9.083 119 H THR 16 H THR 16 8.909 -0.048 -8.476 120 HA THR 16 HA THR 16 9.187 2.621 -9.080 121 HB THR 16 HB THR 16 7.002 0.685 -9.855 122 HG1 THR 16 1HG THR 16 9.310 1.711 -11.136 123 1HG2 THR 16 1HG2 THR 16 6.163 3.028 -10.223 124 2HG2 THR 16 2HG2 THR 16 6.646 2.295 -11.785 125 3HG2 THR 16 3HG2 THR 16 7.734 3.486 -10.985 126 H ILE 17 H ILE 17 6.267 1.153 -7.442 127 HA ILE 17 HA ILE 17 5.009 3.484 -7.002 128 HB ILE 17 HB ILE 17 5.075 1.049 -5.218 129 1HG1 ILE 17 2HG1 ILE 17 2.940 1.758 -7.291 130 2HG1 ILE 17 1HG1 ILE 17 4.390 0.862 -7.804 131 1HG2 ILE 17 1HG2 ILE 17 2.835 1.802 -4.474 132 2HG2 ILE 17 2HG2 ILE 17 2.966 3.295 -5.475 133 3HG2 ILE 17 3HG2 ILE 17 4.051 3.040 -4.054 134 1HD1 ILE 17 1HD1 ILE 17 3.971 -0.901 -6.077 135 2HD1 ILE 17 2HD1 ILE 17 2.626 -0.762 -7.263 136 3HD1 ILE 17 3HD1 ILE 17 2.461 -0.082 -5.592 137 H GLU 18 H GLU 18 7.399 2.032 -4.697 138 HA GLU 18 HA GLU 18 7.135 4.033 -2.807 139 1HB GLU 18 2HB GLU 18 8.337 1.810 -2.583 140 2HB GLU 18 1HB GLU 18 9.635 2.477 -3.599 141 1HG GLU 18 2HG GLU 18 9.989 4.307 -1.796 142 2HG GLU 18 1HG GLU 18 8.886 3.342 -0.745 143 H GLU 19 H GLU 19 9.551 3.793 -5.434 144 HA GLU 19 HA GLU 19 10.777 6.199 -4.669 145 1HB GLU 19 2HB GLU 19 11.680 4.034 -5.820 146 2HB GLU 19 1HB GLU 19 11.143 4.794 -7.334 147 1HG GLU 19 2HG GLU 19 13.482 5.325 -7.083 148 2HG GLU 19 1HG GLU 19 12.633 6.845 -6.632 149 H ARG 20 H ARG 20 8.351 5.505 -7.171 150 HA ARG 20 HA ARG 20 8.535 8.063 -8.395 151 1HB ARG 20 2HB ARG 20 7.781 6.017 -9.567 152 2HB ARG 20 1HB ARG 20 6.413 5.889 -8.444 153 1HG ARG 20 2HG ARG 20 5.767 6.722 -10.650 154 2HG ARG 20 1HG ARG 20 5.327 7.849 -9.340 155 1HD ARG 20 2HD ARG 20 7.097 9.405 -9.938 156 2HD ARG 20 1HD ARG 20 7.795 8.253 -11.159 157 HE ARG 20 HE ARG 20 5.330 8.350 -12.145 158 1HH1 ARG 20 1HH1 ARG 20 7.380 11.108 -11.193 159 2HH1 ARG 20 2HH1 ARG 20 6.476 12.222 -12.138 160 1HH2 ARG 20 1HH2 ARG 20 3.983 9.928 -13.071 161 2HH2 ARG 20 2HH2 ARG 20 4.389 11.608 -13.013 162 H LEU 21 H LEU 21 6.529 6.693 -5.731 163 HA LEU 21 HA LEU 21 4.980 9.084 -5.699 164 1HB LEU 21 2HB LEU 21 4.436 6.631 -5.002 165 2HB LEU 21 1HB LEU 21 5.109 7.075 -3.421 166 HG LEU 21 HG LEU 21 2.605 7.094 -3.756 167 1HD1 LEU 21 1HD1 LEU 21 3.734 9.803 -2.849 168 2HD1 LEU 21 2HD1 LEU 21 3.612 8.305 -1.850 169 3HD1 LEU 21 3HD1 LEU 21 2.118 9.131 -2.441 170 1HD2 LEU 21 1HD2 LEU 21 2.609 8.183 -6.081 171 2HD2 LEU 21 2HD2 LEU 21 2.945 9.750 -5.269 172 3HD2 LEU 21 3HD2 LEU 21 1.421 8.877 -4.903 173 H ASP 22 H ASP 22 7.859 7.932 -4.017 174 HA ASP 22 HA ASP 22 8.233 10.061 -2.334 175 1HB ASP 22 2HB ASP 22 9.505 7.876 -2.406 176 2HB ASP 22 1HB ASP 22 10.373 8.466 -3.857 177 H ASP 23 H ASP 23 9.807 9.770 -5.605 178 HA ASP 23 HA ASP 23 10.352 12.604 -5.436 179 1HB ASP 23 2HB ASP 23 12.071 10.987 -6.399 180 2HB ASP 23 1HB ASP 23 10.901 10.758 -7.774 181 H TRP 24 H TRP 24 8.943 13.973 -5.913 182 HA TRP 24 HA TRP 24 7.058 13.578 -8.136 183 1HB TRP 24 2HB TRP 24 6.112 12.965 -5.875 184 2HB TRP 24 1HB TRP 24 6.451 14.617 -5.302 185 HD1 TRP 24 HD TRP 24 4.254 16.038 -5.324 186 HE1 TRP 24 1HE TRP 24 2.110 16.122 -6.743 187 HE3 TRP 24 3HE TRP 24 5.268 12.194 -8.490 188 HZ2 TRP 24 2HZ TRP 24 0.995 14.688 -8.905 189 HZ3 TRP 24 3HZ TRP 24 3.622 11.605 -10.193 190 HH2 TRP 24 HH TRP 24 1.536 12.829 -10.415 191 H ASP 25 H ASP 25 5.758 15.996 -7.929 192 HA ASP 25 HA ASP 25 7.765 18.074 -7.658 193 1HB ASP 25 2HB ASP 25 7.495 17.177 -10.135 194 2HB ASP 25 1HB ASP 25 5.911 18.015 -10.123 195 H GLY 26 H GLY 26 6.667 18.492 -5.678 196 1HA GLY 26 2HA GLY 26 4.195 19.954 -5.987 197 2HA GLY 26 1HA GLY 26 4.087 18.366 -5.154 198 H ASP 27 H ASP 27 3.263 19.624 -3.429 199 HA ASP 27 HA ASP 27 5.300 21.064 -1.891 200 1HB ASP 27 2HB ASP 27 3.073 22.147 -2.819 201 2HB ASP 27 1HB ASP 27 2.254 21.268 -1.495 202 H SER 28 H SER 28 2.847 18.568 -1.840 203 HA SER 28 HA SER 28 2.817 17.936 0.871 204 1HB SER 28 2HB SER 28 2.531 16.037 -1.516 205 2HB SER 28 1HB SER 28 2.029 15.671 0.167 206 HG SER 28 HG SER 28 0.475 16.447 -1.440 207 H ASP 29 H ASP 29 3.867 16.272 2.152 208 HA ASP 29 HA ASP 29 6.319 15.272 0.922 209 1HB ASP 29 2HB ASP 29 6.318 16.909 3.026 210 2HB ASP 29 1HB ASP 29 5.958 15.403 3.937 211 H ILE 30 H ILE 30 6.970 13.126 1.680 212 HA ILE 30 HA ILE 30 4.711 11.305 1.711 213 HB ILE 30 HB ILE 30 6.834 11.436 -0.477 214 1HG1 ILE 30 2HG1 ILE 30 5.196 13.185 -0.933 215 2HG1 ILE 30 1HG1 ILE 30 5.086 11.832 -2.082 216 1HG2 ILE 30 1HG2 ILE 30 5.551 9.526 -1.445 217 2HG2 ILE 30 2HG2 ILE 30 4.480 9.488 0.009 218 3HG2 ILE 30 3HG2 ILE 30 6.222 9.084 0.146 219 1HD1 ILE 30 1HD1 ILE 30 2.811 12.510 -1.519 220 2HD1 ILE 30 2HD1 ILE 30 3.164 12.425 0.247 221 3HD1 ILE 30 3HD1 ILE 30 3.100 10.913 -0.730 222 H ASP 31 H ASP 31 5.338 10.027 3.295 223 HA ASP 31 HA ASP 31 8.064 8.870 3.140 224 1HB ASP 31 2HB ASP 31 6.304 9.365 5.606 225 2HB ASP 31 1HB ASP 31 7.772 8.313 5.612 226 H CYS 32 H CYS 32 7.524 7.183 1.723 227 HA CYS 32 HA CYS 32 5.554 5.293 2.607 228 1HB CYS 32 2HB CYS 32 6.501 5.392 0.181 229 2HB CYS 32 1HB CYS 32 7.996 4.809 0.898 230 HG CYS 32 HG CYS 32 6.970 2.527 1.768 231 H GLU 33 H GLU 33 5.740 3.571 3.906 232 HA GLU 33 HA GLU 33 8.079 3.371 5.615 233 1HB GLU 33 2HB GLU 33 5.313 3.337 6.002 234 2HB GLU 33 1HB GLU 33 5.686 1.604 6.036 235 1HG GLU 33 2HG GLU 33 7.025 3.813 7.776 236 2HG GLU 33 1HG GLU 33 5.613 2.835 8.281 237 H ILE 34 H ILE 34 9.027 1.254 6.007 238 HA ILE 34 HA ILE 34 8.652 -0.630 3.816 239 HB ILE 34 HB ILE 34 11.430 0.174 4.622 240 1HG1 ILE 34 2HG1 ILE 34 11.417 1.064 2.125 241 2HG1 ILE 34 1HG1 ILE 34 9.682 1.347 2.411 242 1HG2 ILE 34 1HG2 ILE 34 11.967 -1.096 2.537 243 2HG2 ILE 34 2HG2 ILE 34 10.224 -1.441 2.282 244 3HG2 ILE 34 3HG2 ILE 34 11.092 -2.140 3.704 245 1HD1 ILE 34 1HD1 ILE 34 12.041 2.439 4.103 246 2HD1 ILE 34 2HD1 ILE 34 10.302 2.756 4.447 247 3HD1 ILE 34 3HD1 ILE 34 11.039 3.387 2.928 248 H ASN 35 H ASN 35 8.058 -2.225 4.778 249 HA ASN 35 HA ASN 35 9.761 -3.413 6.893 250 1HB ASN 35 2HB ASN 35 6.881 -4.338 6.545 251 2HB ASN 35 1HB ASN 35 7.995 -4.615 7.924 252 1HD2 ASN 35 1HD2 ASN 35 8.829 -2.215 8.820 253 2HD2 ASN 35 2HD2 ASN 35 7.559 -1.034 8.948 254 H GLY 36 H GLY 36 9.570 -5.992 6.667 255 1HA GLY 36 2HA GLY 36 10.911 -6.368 4.269 256 2HA GLY 36 1HA GLY 36 10.410 -7.596 5.476 257 H GLY 37 H GLY 37 9.479 -5.907 2.547 258 1HA GLY 37 2HA GLY 37 8.556 -6.845 0.702 259 2HA GLY 37 1HA GLY 37 7.906 -8.204 1.674 260 H VAL 38 H VAL 38 7.477 -5.096 3.050 261 HA VAL 38 HA VAL 38 4.698 -4.914 2.084 262 HB VAL 38 HB VAL 38 5.698 -4.517 4.932 263 1HG1 VAL 38 1HG1 VAL 38 3.745 -3.104 4.442 264 2HG1 VAL 38 2HG1 VAL 38 3.190 -4.523 5.393 265 3HG1 VAL 38 3HG1 VAL 38 2.894 -4.459 3.620 266 1HG2 VAL 38 1HG2 VAL 38 5.789 -6.958 4.423 267 2HG2 VAL 38 2HG2 VAL 38 4.089 -6.888 3.806 268 3HG2 VAL 38 3HG2 VAL 38 4.440 -6.557 5.536 269 H LEU 39 H LEU 39 4.201 -2.771 1.442 270 HA LEU 39 HA LEU 39 5.934 -0.696 2.565 271 1HB LEU 39 2HB LEU 39 4.702 -1.054 -0.206 272 2HB LEU 39 1HB LEU 39 5.357 0.499 0.337 273 HG LEU 39 HG LEU 39 6.994 -2.099 0.298 274 1HD1 LEU 39 1HD1 LEU 39 7.996 -1.323 -1.842 275 2HD1 LEU 39 2HD1 LEU 39 6.973 0.161 -1.817 276 3HD1 LEU 39 3HD1 LEU 39 6.204 -1.457 -2.040 277 1HD2 LEU 39 1HD2 LEU 39 8.998 -0.623 0.336 278 2HD2 LEU 39 2HD2 LEU 39 7.964 -0.359 1.788 279 3HD2 LEU 39 3HD2 LEU 39 7.953 0.829 0.425 280 H THR 40 H THR 40 4.979 0.991 3.394 281 HA THR 40 HA THR 40 2.024 1.083 3.292 282 HB THR 40 HB THR 40 3.363 1.962 5.825 283 HG1 THR 40 1HG THR 40 3.738 0.074 6.514 284 1HG2 THR 40 1HG2 THR 40 1.197 1.001 6.711 285 2HG2 THR 40 2HG2 THR 40 0.824 0.375 5.062 286 3HG2 THR 40 3HG2 THR 40 0.854 2.157 5.358 287 H ILE 41 H ILE 41 1.453 2.914 2.264 288 HA ILE 41 HA ILE 41 3.589 4.866 2.055 289 HB ILE 41 HB ILE 41 0.976 4.805 0.568 290 1HG1 ILE 41 2HG1 ILE 41 3.734 3.858 -0.366 291 2HG1 ILE 41 1HG1 ILE 41 2.447 2.749 0.194 292 1HG2 ILE 41 1HG2 ILE 41 2.211 6.375 -0.975 293 2HG2 ILE 41 2HG2 ILE 41 3.635 6.335 0.117 294 3HG2 ILE 41 3HG2 ILE 41 2.082 7.073 0.663 295 1HD1 ILE 41 1HD1 ILE 41 0.892 3.690 -1.593 296 2HD1 ILE 41 2HD1 ILE 41 2.316 2.796 -2.224 297 3HD1 ILE 41 3HD1 ILE 41 2.302 4.594 -2.268 298 H THR 42 H THR 42 3.631 6.679 3.271 299 HA THR 42 HA THR 42 1.042 7.634 4.281 300 HB THR 42 HB THR 42 1.841 8.300 6.330 301 HG1 THR 42 1HG THR 42 4.362 7.504 5.367 302 1HG2 THR 42 1HG2 THR 42 1.128 5.895 6.071 303 2HG2 THR 42 2HG2 THR 42 2.362 6.120 7.365 304 3HG2 THR 42 3HG2 THR 42 2.844 5.428 5.782 305 H PHE 43 H PHE 43 0.497 9.677 4.140 306 HA PHE 43 HA PHE 43 2.578 11.603 3.451 307 1HB PHE 43 2HB PHE 43 0.611 12.851 2.172 308 2HB PHE 43 1HB PHE 43 1.682 11.642 1.422 309 HD1 PHE 43 1HD PHE 43 -1.724 12.375 2.334 310 HD2 PHE 43 2HD PHE 43 0.977 9.387 1.006 311 HE1 PHE 43 1HE PHE 43 -3.601 11.059 1.479 312 HE2 PHE 43 2HE PHE 43 -0.897 8.047 0.170 313 HZ PHE 43 HZ PHE 43 -3.193 8.887 0.386 314 H GLU 44 H GLU 44 1.752 13.947 3.818 315 HA GLU 44 HA GLU 44 1.957 14.305 6.392 316 1HB GLU 44 2HB GLU 44 0.873 15.956 4.095 317 2HB GLU 44 1HB GLU 44 1.094 16.696 5.696 318 1HG GLU 44 2HG GLU 44 3.430 15.208 4.340 319 2HG GLU 44 1HG GLU 44 2.988 16.894 3.928 320 H ASN 45 H ASN 45 -1.231 14.158 4.781 321 HA ASN 45 HA ASN 45 -2.676 15.106 6.936 322 1HB ASN 45 2HB ASN 45 -3.363 14.786 4.501 323 2HB ASN 45 1HB ASN 45 -3.589 13.039 4.843 324 1HD2 ASN 45 1HD2 ASN 45 -5.751 12.588 5.238 325 2HD2 ASN 45 2HD2 ASN 45 -6.867 13.669 6.044 326 H GLY 46 H GLY 46 -0.939 12.182 6.851 327 1HA GLY 46 2HA GLY 46 -0.759 10.681 8.498 328 2HA GLY 46 1HA GLY 46 -2.287 11.265 9.242 329 H SER 47 H SER 47 -2.253 10.646 5.905 330 HA SER 47 HA SER 47 -4.192 8.518 6.221 331 1HB SER 47 2HB SER 47 -3.283 10.262 3.882 332 2HB SER 47 1HB SER 47 -4.539 8.990 3.714 333 HG SER 47 HG SER 47 -5.855 10.121 5.006 334 H LYS 48 H LYS 48 -4.152 6.643 4.664 335 HA LYS 48 HA LYS 48 -1.420 5.608 4.712 336 1HB LYS 48 2HB LYS 48 -2.138 3.929 6.430 337 2HB LYS 48 1HB LYS 48 -2.085 5.620 6.973 338 1HG LYS 48 2HG LYS 48 -4.673 5.674 6.415 339 2HG LYS 48 1HG LYS 48 -4.561 3.907 6.488 340 1HD LYS 48 2HD LYS 48 -3.557 5.863 8.669 341 2HD LYS 48 1HD LYS 48 -5.238 5.283 8.603 342 1HE LYS 48 2HE LYS 48 -2.771 3.451 8.974 343 2HE LYS 48 1HE LYS 48 -3.878 4.037 10.279 344 1HZ LYS 48 1HZ LYS 48 -4.468 2.168 8.060 345 2HZ LYS 48 2HZ LYS 48 -5.709 3.005 8.850 346 3HZ LYS 48 3HZ LYS 48 -4.688 1.980 9.720 347 H ILE 49 H ILE 49 -1.005 4.305 3.122 348 HA ILE 49 HA ILE 49 -3.164 2.605 2.076 349 HB ILE 49 HB ILE 49 -0.602 3.032 0.575 350 1HG1 ILE 49 2HG1 ILE 49 -1.074 5.297 1.119 351 2HG1 ILE 49 1HG1 ILE 49 -1.276 4.929 -0.611 352 1HG2 ILE 49 1HG2 ILE 49 -2.139 2.704 -1.348 353 2HG2 ILE 49 2HG2 ILE 49 -3.544 2.622 -0.225 354 3HG2 ILE 49 3HG2 ILE 49 -2.273 1.349 -0.166 355 1HD1 ILE 49 1HD1 ILE 49 -3.608 5.325 1.363 356 2HD1 ILE 49 2HD1 ILE 49 -3.770 4.927 -0.388 357 3HD1 ILE 49 3HD1 ILE 49 -3.049 6.496 0.115 358 H ILE 50 H ILE 50 -2.702 0.252 2.274 359 HA ILE 50 HA ILE 50 0.054 -0.331 3.023 360 HB ILE 50 HB ILE 50 -1.102 -0.402 4.987 361 1HG1 ILE 50 2HG1 ILE 50 -1.254 -2.859 5.549 362 2HG1 ILE 50 1HG1 ILE 50 -1.051 -3.206 3.804 363 1HG2 ILE 50 1HG2 ILE 50 -3.467 -0.287 4.189 364 2HG2 ILE 50 2HG2 ILE 50 -3.262 -1.693 5.285 365 3HG2 ILE 50 3HG2 ILE 50 -3.305 -1.956 3.502 366 1HD1 ILE 50 1HD1 ILE 50 1.264 -2.043 3.922 367 2HD1 ILE 50 2HD1 ILE 50 1.129 -3.407 5.099 368 3HD1 ILE 50 3HD1 ILE 50 0.964 -1.705 5.651 369 H ILE 51 H ILE 51 1.056 -1.495 1.713 370 HA ILE 51 HA ILE 51 -0.413 -3.172 -0.183 371 HB ILE 51 HB ILE 51 2.018 -1.495 -0.820 372 1HG1 ILE 51 2HG1 ILE 51 -0.970 -0.931 -0.885 373 2HG1 ILE 51 1HG1 ILE 51 0.330 0.028 -0.161 374 1HG2 ILE 51 1HG2 ILE 51 1.376 -2.017 -3.149 375 2HG2 ILE 51 2HG2 ILE 51 -0.093 -2.899 -2.593 376 3HG2 ILE 51 3HG2 ILE 51 1.561 -3.557 -2.283 377 1HD1 ILE 51 1HD1 ILE 51 1.249 0.411 -2.568 378 2HD1 ILE 51 2HD1 ILE 51 -0.377 1.154 -2.262 379 3HD1 ILE 51 3HD1 ILE 51 -0.249 -0.404 -3.167 380 H ASN 52 H ASN 52 0.223 -5.121 -0.517 381 HA ASN 52 HA ASN 52 2.820 -6.122 -0.069 382 1HB ASN 52 2HB ASN 52 2.443 -5.917 2.234 383 2HB ASN 52 1HB ASN 52 0.724 -6.345 2.125 384 1HD2 ASN 52 1HD2 ASN 52 4.071 -7.771 1.614 385 2HD2 ASN 52 2HD2 ASN 52 3.612 -9.337 2.200 386 H ARG 53 H ARG 53 2.453 -8.734 -0.110 387 HA ARG 53 HA ARG 53 0.794 -9.098 -2.492 388 1HB ARG 53 2HB ARG 53 2.689 -9.831 -3.407 389 2HB ARG 53 1HB ARG 53 3.474 -9.240 -1.937 390 1HG ARG 53 2HG ARG 53 3.255 -11.565 -0.901 391 2HG ARG 53 1HG ARG 53 2.476 -12.123 -2.412 392 1HD ARG 53 2HD ARG 53 4.757 -12.900 -2.483 393 2HD ARG 53 1HD ARG 53 4.616 -11.565 -3.681 394 HE ARG 53 HE ARG 53 5.820 -10.097 -2.136 395 1HH1 ARG 53 1HH1 ARG 53 6.150 -13.415 -0.853 396 2HH1 ARG 53 2HH1 ARG 53 6.835 -12.815 0.534 397 1HH2 ARG 53 1HH2 ARG 53 6.984 -9.565 -0.387 398 2HH2 ARG 53 2HH2 ARG 53 7.105 -10.636 0.986 399 H GLN 54 H GLN 54 -0.333 -11.078 -2.823 400 HA GLN 54 HA GLN 54 -0.895 -12.618 -0.409 401 1HB GLN 54 2HB GLN 54 -2.254 -12.198 -3.128 402 2HB GLN 54 1HB GLN 54 -2.829 -13.363 -1.915 403 1HG GLN 54 2HG GLN 54 -2.591 -10.301 -1.461 404 2HG GLN 54 1HG GLN 54 -4.089 -11.142 -1.964 405 1HE2 GLN 54 1HE2 GLN 54 -5.377 -12.020 -0.414 406 2HE2 GLN 54 2HE2 GLN 54 -4.983 -12.082 1.293 407 H GLU 55 H GLU 55 0.999 -13.901 -0.422 408 HA GLU 55 HA GLU 55 2.207 -14.502 -2.777 409 1HB GLU 55 2HB GLU 55 3.372 -14.231 -0.683 410 2HB GLU 55 1HB GLU 55 2.841 -15.852 -0.157 411 1HG GLU 55 2HG GLU 55 4.042 -16.905 -2.081 412 2HG GLU 55 1HG GLU 55 4.362 -15.292 -2.799 413 HA PRO 56 HA PRO 56 1.104 -18.973 -2.775 414 1HB PRO 56 2HB PRO 56 -1.818 -18.759 -1.874 415 2HB PRO 56 1HB PRO 56 -0.731 -20.206 -1.780 416 1HG PRO 56 2HG PRO 56 -1.092 -18.684 0.447 417 2HG PRO 56 1HG PRO 56 0.605 -19.150 -0.017 418 1HD PRO 56 2HD PRO 56 -0.840 -16.493 -0.584 419 2HD PRO 56 1HD PRO 56 0.846 -16.778 0.038 420 H LEU 57 H LEU 57 -0.662 -16.338 -4.035 421 HA LEU 57 HA LEU 57 -1.230 -17.967 -6.420 422 1HB LEU 57 2HB LEU 57 -2.739 -15.484 -5.489 423 2HB LEU 57 1HB LEU 57 -3.025 -16.390 -7.033 424 HG LEU 57 HG LEU 57 -3.252 -17.424 -4.214 425 1HD1 LEU 57 1HD1 LEU 57 -5.003 -15.771 -4.542 426 2HD1 LEU 57 2HD1 LEU 57 -5.782 -17.390 -4.584 427 3HD1 LEU 57 3HD1 LEU 57 -5.495 -16.498 -6.128 428 1HD2 LEU 57 1HD2 LEU 57 -2.863 -19.326 -5.787 429 2HD2 LEU 57 2HD2 LEU 57 -4.176 -18.728 -6.881 430 3HD2 LEU 57 3HD2 LEU 57 -4.572 -19.365 -5.237 431 H HIS 58 H HIS 58 -1.774 -14.743 -6.744 432 HA HIS 58 HA HIS 58 0.837 -14.069 -7.987 433 1HB HIS 58 2HB HIS 58 -0.154 -15.406 -9.675 434 2HB HIS 58 1HB HIS 58 -1.747 -14.628 -9.412 435 HD1 HIS 58 1HD HIS 58 1.275 -14.109 -11.592 436 HD2 HIS 58 2HD HIS 58 -1.515 -11.896 -9.588 437 HE1 HIS 58 1HE HIS 58 1.095 -11.996 -12.945 438 H GLN 59 H GLN 59 -2.366 -12.914 -6.707 439 HA GLN 59 HA GLN 59 -1.782 -10.388 -7.735 440 1HB GLN 59 2HB GLN 59 -3.836 -9.679 -6.808 441 2HB GLN 59 1HB GLN 59 -4.040 -11.207 -7.660 442 1HG GLN 59 2HG GLN 59 -3.734 -11.052 -4.581 443 2HG GLN 59 1HG GLN 59 -5.286 -10.804 -5.447 444 1HE2 GLN 59 1HE2 GLN 59 -5.751 -12.610 -3.870 445 2HE2 GLN 59 2HE2 GLN 59 -5.637 -14.212 -4.525 446 H VAL 60 H VAL 60 -1.711 -8.548 -6.833 447 HA VAL 60 HA VAL 60 -0.321 -8.266 -4.256 448 HB VAL 60 HB VAL 60 -0.858 -6.373 -6.555 449 1HG1 VAL 60 1HG1 VAL 60 -0.923 -4.981 -4.532 450 2HG1 VAL 60 2HG1 VAL 60 0.664 -4.767 -5.336 451 3HG1 VAL 60 3HG1 VAL 60 0.538 -5.791 -3.860 452 1HG2 VAL 60 1HG2 VAL 60 1.640 -6.463 -6.773 453 2HG2 VAL 60 2HG2 VAL 60 0.912 -8.092 -6.976 454 3HG2 VAL 60 3HG2 VAL 60 1.721 -7.655 -5.424 455 H TRP 61 H TRP 61 -1.221 -6.937 -2.547 456 HA TRP 61 HA TRP 61 -4.104 -6.481 -2.823 457 1HB TRP 61 2HB TRP 61 -4.403 -7.526 -0.905 458 2HB TRP 61 1HB TRP 61 -2.699 -8.054 -0.963 459 HD1 TRP 61 HD TRP 61 -0.963 -6.311 0.385 460 HE1 TRP 61 1HE TRP 61 -1.628 -4.304 1.979 461 HE3 TRP 61 3HE TRP 61 -5.954 -6.887 0.735 462 HZ2 TRP 61 2HZ TRP 61 -3.533 -4.240 4.162 463 HZ3 TRP 61 3HZ TRP 61 -7.096 -6.066 2.733 464 HH2 TRP 61 HH TRP 61 -5.902 -4.781 4.428 465 H LEU 62 H LEU 62 -4.901 -4.376 -2.219 466 HA LEU 62 HA LEU 62 -3.010 -2.762 -0.859 467 1HB LEU 62 2HB LEU 62 -2.833 -0.900 -2.148 468 2HB LEU 62 1HB LEU 62 -2.505 -2.277 -3.247 469 HG LEU 62 HG LEU 62 -5.188 -0.781 -3.141 470 1HD1 LEU 62 1HD1 LEU 62 -4.387 0.427 -5.189 471 2HD1 LEU 62 2HD1 LEU 62 -2.753 -0.299 -4.942 472 3HD1 LEU 62 3HD1 LEU 62 -3.421 0.831 -3.717 473 1HD2 LEU 62 1HD2 LEU 62 -5.338 -3.040 -4.124 474 2HD2 LEU 62 2HD2 LEU 62 -3.930 -2.699 -5.203 475 3HD2 LEU 62 3HD2 LEU 62 -5.478 -1.796 -5.434 476 H ALA 63 H ALA 63 -3.929 -2.161 0.813 477 HA ALA 63 HA ALA 63 -6.766 -1.415 0.681 478 1HB ALA 63 1HB ALA 63 -6.483 -3.117 2.326 479 2HB ALA 63 2HB ALA 63 -6.957 -1.576 3.110 480 3HB ALA 63 3HB ALA 63 -5.252 -2.144 3.213 481 H THR 64 H THR 64 -7.653 0.314 1.428 482 HA THR 64 HA THR 64 -6.121 2.663 1.909 483 HB THR 64 HB THR 64 -5.860 2.224 -0.516 484 HG1 THR 64 1HG THR 64 -6.069 4.189 -1.021 485 1HG2 THR 64 1HG2 THR 64 -8.887 2.830 -0.731 486 2HG2 THR 64 2HG2 THR 64 -8.152 1.191 -0.913 487 3HG2 THR 64 3HG2 THR 64 -7.728 2.500 -2.060 488 H LYS 65 H LYS 65 -8.202 4.464 1.186 489 HA LYS 65 HA LYS 65 -9.486 4.113 3.603 490 1HB LYS 65 2HB LYS 65 -8.719 6.258 2.651 491 2HB LYS 65 1HB LYS 65 -10.135 6.264 1.558 492 1HG LYS 65 2HG LYS 65 -10.284 7.686 3.632 493 2HG LYS 65 1HG LYS 65 -11.643 6.519 3.456 494 1HD LYS 65 2HD LYS 65 -10.518 5.004 5.112 495 2HD LYS 65 1HD LYS 65 -9.181 6.197 5.269 496 1HE LYS 65 2HE LYS 65 -10.925 7.881 6.111 497 2HE LYS 65 1HE LYS 65 -12.157 6.552 6.067 498 1HZ LYS 65 1HZ LYS 65 -10.486 5.311 7.549 499 2HZ LYS 65 2HZ LYS 65 -11.333 6.608 8.231 500 3HZ LYS 65 3HZ LYS 65 -9.723 6.797 7.733 501 H GLN 66 H GLN 66 -10.754 3.441 0.399 502 HA GLN 66 HA GLN 66 -13.428 3.187 1.370 503 1HB GLN 66 2HB GLN 66 -12.857 3.860 -0.916 504 2HB GLN 66 1HB GLN 66 -12.199 2.228 -1.244 505 1HG GLN 66 2HG GLN 66 -14.431 1.218 -1.053 506 2HG GLN 66 1HG GLN 66 -15.088 2.695 -0.276 507 1HE2 GLN 66 1HE2 GLN 66 -13.159 2.149 -3.313 508 2HE2 GLN 66 2HE2 GLN 66 -14.178 3.200 -4.272 509 H GLY 67 H GLY 67 -10.711 1.143 1.707 510 1HA GLY 67 2HA GLY 67 -11.595 -0.557 3.353 511 2HA GLY 67 1HA GLY 67 -12.424 -1.239 1.909 512 H GLY 68 H GLY 68 -10.667 -1.120 -0.060 513 1HA GLY 68 2HA GLY 68 -8.412 -1.698 -0.454 514 2HA GLY 68 1HA GLY 68 -8.494 -2.872 0.916 515 H TYR 69 H TYR 69 -8.100 -2.787 -2.233 516 HA TYR 69 HA TYR 69 -9.777 -5.126 -2.818 517 1HB TYR 69 2HB TYR 69 -8.822 -2.849 -4.641 518 2HB TYR 69 1HB TYR 69 -9.699 -4.315 -5.202 519 HD1 TYR 69 1HD TYR 69 -10.564 -1.884 -6.055 520 HD2 TYR 69 2HD TYR 69 -11.600 -3.811 -2.409 521 HE1 TYR 69 1HE TYR 69 -12.653 -0.621 -5.969 522 HE2 TYR 69 2HE TYR 69 -13.622 -2.513 -2.286 523 HH TYR 69 HH TYR 69 -14.737 -0.515 -4.913 524 H HIS 70 H HIS 70 -8.632 -6.506 -4.645 525 HA HIS 70 HA HIS 70 -5.745 -6.147 -4.400 526 1HB HIS 70 2HB HIS 70 -5.457 -8.536 -4.786 527 2HB HIS 70 1HB HIS 70 -6.226 -8.105 -3.232 528 HD1 HIS 70 1HD HIS 70 -7.135 -9.523 -6.730 529 HD2 HIS 70 2HD HIS 70 -8.542 -9.620 -2.762 530 HE1 HIS 70 1HE HIS 70 -8.989 -11.135 -6.668 531 H PHE 71 H PHE 71 -4.502 -6.962 -6.147 532 HA PHE 71 HA PHE 71 -5.512 -5.639 -8.551 533 1HB PHE 71 2HB PHE 71 -4.158 -4.309 -7.048 534 2HB PHE 71 1HB PHE 71 -3.028 -5.637 -6.756 535 HD1 PHE 71 1HD PHE 71 -1.443 -6.314 -8.590 536 HD2 PHE 71 2HD PHE 71 -3.655 -2.687 -8.599 537 HE1 PHE 71 1HE PHE 71 0.288 -5.270 -9.957 538 HE2 PHE 71 2HE PHE 71 -1.888 -1.623 -9.913 539 HZ PHE 71 HZ PHE 71 0.056 -2.938 -10.667 540 H ASP 72 H ASP 72 -5.719 -7.039 -10.223 541 HA ASP 72 HA ASP 72 -3.888 -9.321 -10.385 542 1HB ASP 72 2HB ASP 72 -6.922 -9.111 -10.874 543 2HB ASP 72 1HB ASP 72 -5.926 -10.547 -11.314 544 H LEU 73 H LEU 73 -4.016 -10.257 -12.765 545 HA LEU 73 HA LEU 73 -3.493 -7.845 -14.384 546 1HB LEU 73 2HB LEU 73 -1.803 -9.665 -13.353 547 2HB LEU 73 1HB LEU 73 -2.177 -10.511 -14.861 548 HG LEU 73 HG LEU 73 -1.069 -7.654 -14.521 549 1HD1 LEU 73 1HD1 LEU 73 0.511 -9.476 -13.864 550 2HD1 LEU 73 2HD1 LEU 73 1.065 -8.603 -15.342 551 3HD1 LEU 73 3HD1 LEU 73 0.312 -10.237 -15.489 552 1HD2 LEU 73 1HD2 LEU 73 -1.478 -9.245 -17.124 553 2HD2 LEU 73 2HD2 LEU 73 -0.551 -7.710 -16.970 554 3HD2 LEU 73 3HD2 LEU 73 -2.320 -7.705 -16.654 555 H LYS 74 H LYS 74 -4.830 -7.442 -16.063 556 HA LYS 74 HA LYS 74 -5.648 -9.739 -17.672 557 1HB LYS 74 2HB LYS 74 -6.911 -7.140 -16.908 558 2HB LYS 74 1HB LYS 74 -7.156 -7.628 -18.606 559 1HG LYS 74 2HG LYS 74 -7.708 -9.572 -16.319 560 2HG LYS 74 1HG LYS 74 -8.950 -8.438 -16.920 561 1HD LYS 74 2HD LYS 74 -8.925 -9.311 -19.130 562 2HD LYS 74 1HD LYS 74 -7.474 -10.303 -18.857 563 1HE LYS 74 2HE LYS 74 -10.147 -10.785 -17.361 564 2HE LYS 74 1HE LYS 74 -9.725 -11.544 -18.944 565 1HZ LYS 74 1HZ LYS 74 -8.238 -11.900 -16.376 566 2HZ LYS 74 2HZ LYS 74 -7.709 -12.430 -17.873 567 3HZ LYS 74 3HZ LYS 74 -9.170 -13.020 -17.243 568 H GLY 75 H GLY 75 -3.497 -9.841 -18.409 569 1HA GLY 75 2HA GLY 75 -2.170 -9.754 -20.129 570 2HA GLY 75 1HA GLY 75 -3.335 -8.662 -20.948 571 H ASP 76 H ASP 76 -3.176 -6.408 -20.451 572 HA ASP 76 HA ASP 76 -0.410 -5.522 -19.897 573 1HB ASP 76 2HB ASP 76 -2.543 -4.739 -21.955 574 2HB ASP 76 1HB ASP 76 -1.316 -3.529 -21.443 575 H GLU 77 H GLU 77 -3.491 -5.589 -18.509 576 HA GLU 77 HA GLU 77 -3.110 -2.957 -17.241 577 1HB GLU 77 2HB GLU 77 -5.707 -4.047 -18.441 578 2HB GLU 77 1HB GLU 77 -5.576 -2.639 -17.338 579 1HG GLU 77 2HG GLU 77 -4.176 -1.411 -18.979 580 2HG GLU 77 1HG GLU 77 -4.251 -2.790 -20.123 581 H TRP 78 H TRP 78 -3.064 -3.228 -15.124 582 HA TRP 78 HA TRP 78 -3.975 -5.784 -14.099 583 1HB TRP 78 2HB TRP 78 -2.686 -3.431 -12.686 584 2HB TRP 78 1HB TRP 78 -3.204 -4.956 -11.888 585 HD1 TRP 78 HD TRP 78 -0.587 -3.695 -14.542 586 HE1 TRP 78 1HE TRP 78 1.576 -4.965 -14.045 587 HE3 TRP 78 3HE TRP 78 -2.425 -7.048 -11.218 588 HZ2 TRP 78 2HZ TRP 78 2.374 -7.172 -12.458 589 HZ3 TRP 78 3HZ TRP 78 -0.918 -8.701 -10.232 590 HH2 TRP 78 HH TRP 78 1.450 -8.724 -10.786 591 H ILE 79 H ILE 79 -6.025 -6.078 -13.799 592 HA ILE 79 HA ILE 79 -7.829 -3.855 -13.321 593 HB ILE 79 HB ILE 79 -8.240 -6.763 -14.027 594 1HG1 ILE 79 2HG1 ILE 79 -8.550 -4.021 -15.332 595 2HG1 ILE 79 1HG1 ILE 79 -7.548 -5.381 -15.901 596 1HG2 ILE 79 1HG2 ILE 79 -10.678 -6.325 -14.055 597 2HG2 ILE 79 2HG2 ILE 79 -10.423 -4.659 -13.438 598 3HG2 ILE 79 3HG2 ILE 79 -10.050 -6.098 -12.411 599 1HD1 ILE 79 1HD1 ILE 79 -9.443 -5.263 -17.416 600 2HD1 ILE 79 2HD1 ILE 79 -10.616 -5.084 -16.068 601 3HD1 ILE 79 3HD1 ILE 79 -9.803 -6.660 -16.333 602 H CYS 80 H CYS 80 -8.517 -3.388 -11.478 603 HA CYS 80 HA CYS 80 -7.623 -4.884 -9.202 604 1HB CYS 80 2HB CYS 80 -9.155 -2.312 -9.539 605 2HB CYS 80 1HB CYS 80 -9.113 -3.102 -7.936 606 HG CYS 80 HG CYS 80 -7.224 -1.119 -8.219 607 H ASP 81 H ASP 81 -8.766 -6.462 -8.192 608 HA ASP 81 HA ASP 81 -10.614 -7.562 -9.890 609 1HB ASP 81 2HB ASP 81 -8.734 -8.602 -8.450 610 2HB ASP 81 1HB ASP 81 -9.906 -8.607 -7.085 611 H ARG 82 H ARG 82 -11.153 -6.192 -6.662 612 HA ARG 82 HA ARG 82 -13.914 -6.991 -6.614 613 1HB ARG 82 2HB ARG 82 -12.476 -4.808 -5.060 614 2HB ARG 82 1HB ARG 82 -14.119 -5.402 -4.700 615 1HG ARG 82 2HG ARG 82 -11.544 -7.095 -4.466 616 2HG ARG 82 1HG ARG 82 -12.325 -6.167 -3.156 617 1HD ARG 82 2HD ARG 82 -14.453 -7.601 -3.518 618 2HD ARG 82 1HD ARG 82 -13.469 -8.625 -4.616 619 HE ARG 82 HE ARG 82 -12.231 -9.421 -2.709 620 1HH1 ARG 82 1HH1 ARG 82 -14.391 -6.764 -1.529 621 2HH1 ARG 82 2HH1 ARG 82 -13.817 -7.029 0.096 622 1HH2 ARG 82 1HH2 ARG 82 -11.836 -9.768 -0.608 623 2HH2 ARG 82 2HH2 ARG 82 -12.507 -8.726 0.646 624 H SER 83 H SER 83 -15.626 -5.893 -7.388 625 HA SER 83 HA SER 83 -16.704 -4.760 -8.864 626 1HB SER 83 2HB SER 83 -16.221 -2.660 -7.767 627 2HB SER 83 1HB SER 83 -14.687 -2.501 -8.665 628 HG SER 83 HG SER 83 -15.896 -1.531 -10.061 629 H GLY 84 H GLY 84 -13.264 -4.156 -9.816 630 1HA GLY 84 2HA GLY 84 -12.475 -5.326 -11.767 631 2HA GLY 84 1HA GLY 84 -14.090 -5.052 -12.516 632 H GLU 85 H GLU 85 -11.337 -3.403 -11.054 633 HA GLU 85 HA GLU 85 -12.030 -0.952 -12.538 634 1HB GLU 85 2HB GLU 85 -10.689 -1.166 -9.802 635 2HB GLU 85 1HB GLU 85 -11.012 0.358 -10.696 636 1HG GLU 85 2HG GLU 85 -13.178 -1.595 -9.712 637 2HG GLU 85 1HG GLU 85 -12.593 -0.155 -8.811 638 H THR 86 H THR 86 -9.287 0.060 -11.427 639 HA THR 86 HA THR 86 -7.684 -1.251 -13.499 640 HB THR 86 HB THR 86 -8.534 1.701 -13.258 641 HG1 THR 86 1HG THR 86 -10.189 0.852 -14.185 642 1HG2 THR 86 1HG2 THR 86 -7.456 1.933 -15.567 643 2HG2 THR 86 2HG2 THR 86 -6.864 0.241 -15.446 644 3HG2 THR 86 3HG2 THR 86 -6.262 1.519 -14.309 645 H PHE 87 H PHE 87 -5.469 -1.166 -12.956 646 HA PHE 87 HA PHE 87 -4.599 -0.532 -10.630 647 1HB PHE 87 2HB PHE 87 -2.294 -0.359 -11.533 648 2HB PHE 87 1HB PHE 87 -3.278 -1.784 -11.946 649 HD1 PHE 87 1HD PHE 87 -0.894 -1.502 -13.072 650 HD2 PHE 87 2HD PHE 87 -4.459 0.395 -14.419 651 HE1 PHE 87 1HE PHE 87 -0.017 -1.452 -15.350 652 HE2 PHE 87 2HE PHE 87 -3.596 0.408 -16.674 653 HZ PHE 87 HZ PHE 87 -1.378 -0.514 -17.170 654 H TRP 88 H TRP 88 -3.260 1.815 -12.990 655 HA TRP 88 HA TRP 88 -2.575 3.463 -10.877 656 1HB TRP 88 2HB TRP 88 -2.793 4.085 -13.865 657 2HB TRP 88 1HB TRP 88 -1.882 5.029 -12.648 658 HD1 TRP 88 HD TRP 88 -1.342 2.570 -15.252 659 HE1 TRP 88 1HE TRP 88 1.033 1.551 -15.065 660 HE3 TRP 88 3HE TRP 88 -0.233 3.927 -10.484 661 HZ2 TRP 88 2HZ TRP 88 3.017 1.287 -13.141 662 HZ3 TRP 88 3HZ TRP 88 1.890 3.087 -9.482 663 HH2 TRP 88 HH TRP 88 3.471 1.853 -10.793 664 H ASP 89 H ASP 89 -5.456 3.448 -12.930 665 HA ASP 89 HA ASP 89 -6.300 6.045 -12.148 666 1HB ASP 89 2HB ASP 89 -7.659 3.617 -13.442 667 2HB ASP 89 1HB ASP 89 -8.556 5.132 -13.053 668 H LEU 90 H LEU 90 -6.986 2.751 -10.746 669 HA LEU 90 HA LEU 90 -8.883 3.806 -9.024 670 1HB LEU 90 2HB LEU 90 -8.704 1.376 -9.491 671 2HB LEU 90 1HB LEU 90 -7.120 1.329 -8.677 672 HG LEU 90 HG LEU 90 -8.237 2.165 -6.562 673 1HD1 LEU 90 1HD1 LEU 90 -10.845 1.521 -8.102 674 2HD1 LEU 90 2HD1 LEU 90 -10.334 3.143 -7.497 675 3HD1 LEU 90 3HD1 LEU 90 -10.731 1.837 -6.331 676 1HD2 LEU 90 1HD2 LEU 90 -9.175 -0.016 -5.892 677 2HD2 LEU 90 2HD2 LEU 90 -7.650 -0.206 -6.830 678 3HD2 LEU 90 3HD2 LEU 90 -9.253 -0.533 -7.620 679 H LEU 91 H LEU 91 -5.462 3.053 -8.793 680 HA LEU 91 HA LEU 91 -4.787 3.817 -6.268 681 1HB LEU 91 2HB LEU 91 -3.323 2.728 -7.907 682 2HB LEU 91 1HB LEU 91 -3.224 4.219 -8.879 683 HG LEU 91 HG LEU 91 -2.333 4.170 -5.959 684 1HD1 LEU 91 1HD1 LEU 91 -1.226 2.246 -7.106 685 2HD1 LEU 91 2HD1 LEU 91 -0.038 3.541 -6.701 686 3HD1 LEU 91 3HD1 LEU 91 -0.622 3.348 -8.398 687 1HD2 LEU 91 1HD2 LEU 91 -2.351 6.453 -7.006 688 2HD2 LEU 91 2HD2 LEU 91 -1.410 5.820 -8.407 689 3HD2 LEU 91 3HD2 LEU 91 -0.672 5.891 -6.758 690 H GLU 92 H GLU 92 -4.841 5.965 -9.098 691 HA GLU 92 HA GLU 92 -4.411 8.367 -7.862 692 1HB GLU 92 2HB GLU 92 -4.450 7.961 -10.316 693 2HB GLU 92 1HB GLU 92 -6.212 7.703 -10.247 694 1HG GLU 92 2HG GLU 92 -6.457 10.139 -9.426 695 2HG GLU 92 1HG GLU 92 -4.696 10.334 -9.692 696 H GLN 93 H GLN 93 -7.609 6.981 -8.645 697 HA GLN 93 HA GLN 93 -9.227 8.819 -7.540 698 1HB GLN 93 2HB GLN 93 -9.668 6.814 -9.017 699 2HB GLN 93 1HB GLN 93 -9.523 5.765 -7.593 700 1HG GLN 93 2HG GLN 93 -11.542 6.967 -6.573 701 2HG GLN 93 1HG GLN 93 -11.715 7.890 -8.114 702 1HE2 GLN 93 1HE2 GLN 93 -12.118 6.551 -10.152 703 2HE2 GLN 93 2HE2 GLN 93 -12.958 5.041 -9.940 704 H ALA 94 H ALA 94 -7.926 5.965 -5.929 705 HA ALA 94 HA ALA 94 -9.008 6.362 -3.381 706 1HB ALA 94 1HB ALA 94 -6.539 4.820 -4.333 707 2HB ALA 94 2HB ALA 94 -8.221 4.196 -4.281 708 3HB ALA 94 3HB ALA 94 -7.375 4.611 -2.744 709 H ALA 95 H ALA 95 -5.757 7.251 -4.705 710 HA ALA 95 HA ALA 95 -4.775 8.246 -2.296 711 1HB ALA 95 1HB ALA 95 -3.036 9.315 -3.730 712 2HB ALA 95 2HB ALA 95 -4.051 8.999 -5.195 713 3HB ALA 95 3HB ALA 95 -3.344 7.632 -4.274 714 H THR 96 H THR 96 -6.324 9.909 -5.056 715 HA THR 96 HA THR 96 -6.460 12.414 -3.998 716 HB THR 96 HB THR 96 -8.216 10.881 -5.926 717 HG1 THR 96 1HG THR 96 -6.447 13.065 -6.105 718 1HG2 THR 96 1HG2 THR 96 -9.711 12.678 -5.003 719 2HG2 THR 96 2HG2 THR 96 -9.128 13.130 -6.634 720 3HG2 THR 96 3HG2 THR 96 -8.383 13.890 -5.182 721 H GLN 97 H GLN 97 -8.788 9.744 -3.342 722 HA GLN 97 HA GLN 97 -10.346 11.563 -1.806 723 1HB GLN 97 2HB GLN 97 -11.807 9.955 -1.258 724 2HB GLN 97 1HB GLN 97 -11.241 9.542 -2.901 725 1HG GLN 97 2HG GLN 97 -9.816 7.706 -1.936 726 2HG GLN 97 1HG GLN 97 -10.332 8.126 -0.266 727 1HE2 GLN 97 1HE2 GLN 97 -12.107 7.696 -3.416 728 2HE2 GLN 97 2HE2 GLN 97 -13.218 6.517 -2.763 729 H GLN 98 H GLN 98 -7.621 9.518 -0.970 730 HA GLN 98 HA GLN 98 -7.865 9.842 1.825 731 1HB GLN 98 2HB GLN 98 -5.501 9.374 -0.037 732 2HB GLN 98 1HB GLN 98 -5.331 9.359 1.735 733 1HG GLN 98 2HG GLN 98 -7.425 7.507 0.493 734 2HG GLN 98 1HG GLN 98 -5.697 7.156 0.188 735 1HE2 GLN 98 1HE2 GLN 98 -5.970 5.187 1.346 736 2HE2 GLN 98 2HE2 GLN 98 -5.787 5.199 3.078 737 H ALA 99 H ALA 99 -5.833 11.580 -0.581 738 HA ALA 99 HA ALA 99 -4.891 13.377 1.396 739 1HB ALA 99 1HB ALA 99 -4.591 13.339 -1.665 740 2HB ALA 99 2HB ALA 99 -3.506 12.510 -0.502 741 3HB ALA 99 3HB ALA 99 -3.587 14.307 -0.519 742 H GLY 100 H GLY 100 -7.198 13.772 -1.342 743 1HA GLY 100 2HA GLY 100 -8.585 15.476 -1.745 744 2HA GLY 100 1HA GLY 100 -7.894 16.404 -0.368 745 H GLU 101 H GLU 101 -6.574 14.963 -3.359 746 HA GLU 101 HA GLU 101 -5.903 17.427 -4.571 747 1HB GLU 101 2HB GLU 101 -4.161 17.514 -2.858 748 2HB GLU 101 1HB GLU 101 -3.714 15.815 -3.140 749 1HG GLU 101 2HG GLU 101 -2.711 16.308 -5.281 750 2HG GLU 101 1HG GLU 101 -3.438 17.959 -5.320 751 H THR 102 H THR 102 -4.912 16.908 -6.784 752 HA THR 102 HA THR 102 -5.526 14.253 -7.649 753 HB THR 102 HB THR 102 -3.788 16.284 -9.074 754 HG1 THR 102 1HG THR 102 -5.565 16.758 -10.154 755 1HG2 THR 102 1HG2 THR 102 -3.520 13.883 -9.907 756 2HG2 THR 102 2HG2 THR 102 -4.446 14.867 -11.065 757 3HG2 THR 102 3HG2 THR 102 -5.310 13.723 -9.977 758 H VAL 103 H VAL 103 -4.340 12.668 -6.566 759 HA VAL 103 HA VAL 103 -1.408 12.939 -6.685 760 HB VAL 103 HB VAL 103 -3.105 11.135 -4.965 761 1HG1 VAL 103 1HG1 VAL 103 -0.068 11.787 -5.011 762 2HG1 VAL 103 2HG1 VAL 103 -0.812 10.217 -5.503 763 3HG1 VAL 103 3HG1 VAL 103 -0.886 10.760 -3.788 764 1HG2 VAL 103 1HG2 VAL 103 -1.640 13.774 -4.283 765 2HG2 VAL 103 2HG2 VAL 103 -2.306 12.630 -3.066 766 3HG2 VAL 103 3HG2 VAL 103 -3.417 13.475 -4.199 767 H SER 104 H SER 104 -0.599 11.829 -8.336 768 HA SER 104 HA SER 104 -1.940 9.397 -9.235 769 1HB SER 104 2HB SER 104 -2.932 11.414 -10.486 770 2HB SER 104 1HB SER 104 -1.327 11.633 -11.241 771 HG SER 104 HG SER 104 -3.269 10.066 -11.976 772 H PHE 105 H PHE 105 -0.652 8.543 -11.214 773 HA PHE 105 HA PHE 105 2.239 8.833 -10.697 774 1HB PHE 105 2HB PHE 105 0.419 6.458 -11.339 775 2HB PHE 105 1HB PHE 105 2.072 6.492 -12.050 776 HD1 PHE 105 1HD PHE 105 3.678 5.454 -10.922 777 HD2 PHE 105 2HD PHE 105 0.491 7.167 -8.694 778 HE1 PHE 105 1HE PHE 105 4.673 4.607 -8.862 779 HE2 PHE 105 2HE PHE 105 1.486 6.322 -6.623 780 HZ PHE 105 HZ PHE 105 3.594 5.091 -6.685 781 H ARG 106 H ARG 106 -0.324 9.475 -12.925 782 HA ARG 106 HA ARG 106 1.521 9.239 -15.180 783 1HB ARG 106 2HB ARG 106 -1.483 9.693 -15.046 784 2HB ARG 106 1HB ARG 106 -0.519 9.691 -16.551 785 1HG ARG 106 2HG ARG 106 -0.895 7.285 -14.654 786 2HG ARG 106 1HG ARG 106 -1.655 7.550 -16.253 787 1HD ARG 106 2HD ARG 106 0.698 7.527 -17.286 788 2HD ARG 106 1HD ARG 106 1.326 7.088 -15.640 789 HE ARG 106 HE ARG 106 -0.870 5.357 -16.744 790 1HH1 ARG 106 1HH1 ARG 106 2.676 5.706 -16.270 791 2HH1 ARG 106 2HH1 ARG 106 2.928 4.049 -16.651 792 1HH2 ARG 106 1HH2 ARG 106 -0.380 3.407 -17.667 793 2HH2 ARG 106 2HH2 ARG 106 1.264 2.879 -17.802 Start of MODEL 13 1 HA MET 1 HA MET 1 1.300 -16.858 -14.172 2 1HB MET 1 2HB MET 1 0.101 -14.716 -14.572 3 2HB MET 1 1HB MET 1 -0.165 -14.514 -12.816 4 1HG MET 1 2HG MET 1 2.247 -14.197 -12.445 5 2HG MET 1 1HG MET 1 2.602 -14.757 -14.106 6 1HE MET 1 1HE MET 1 1.498 -11.854 -11.786 7 2HE MET 1 2HE MET 1 -0.064 -12.139 -12.626 8 3HE MET 1 3HE MET 1 0.843 -10.616 -12.906 9 H ASN 2 H ASN 2 3.061 -17.214 -12.827 10 HA ASN 2 HA ASN 2 2.197 -18.245 -10.240 11 1HB ASN 2 2HB ASN 2 3.218 -19.529 -12.401 12 2HB ASN 2 1HB ASN 2 4.748 -19.146 -11.569 13 1HD2 ASN 2 1HD2 ASN 2 2.033 -21.297 -11.734 14 2HD2 ASN 2 2HD2 ASN 2 2.335 -22.165 -10.262 15 H ASP 3 H ASP 3 4.559 -18.696 -8.953 16 HA ASP 3 HA ASP 3 4.502 -16.358 -7.607 17 1HB ASP 3 2HB ASP 3 5.705 -17.307 -5.917 18 2HB ASP 3 1HB ASP 3 4.864 -18.679 -6.685 19 H SER 4 H SER 4 7.235 -17.475 -9.566 20 HA SER 4 HA SER 4 8.918 -15.359 -8.917 21 1HB SER 4 2HB SER 4 10.185 -15.946 -10.977 22 2HB SER 4 1HB SER 4 9.811 -17.361 -9.939 23 HG SER 4 HG SER 4 8.198 -17.950 -11.323 24 H GLU 5 H GLU 5 6.443 -15.650 -11.378 25 HA GLU 5 HA GLU 5 7.040 -13.295 -12.777 26 1HB GLU 5 2HB GLU 5 4.416 -14.856 -12.570 27 2HB GLU 5 1HB GLU 5 4.925 -13.768 -13.910 28 1HG GLU 5 2HG GLU 5 6.856 -15.393 -14.352 29 2HG GLU 5 1HG GLU 5 6.181 -16.504 -13.114 30 H PHE 6 H PHE 6 4.519 -14.043 -10.292 31 HA PHE 6 HA PHE 6 3.574 -11.439 -10.091 32 1HB PHE 6 2HB PHE 6 3.449 -14.023 -8.551 33 2HB PHE 6 1HB PHE 6 3.230 -12.577 -7.529 34 HD1 PHE 6 1HD PHE 6 1.689 -14.661 -10.048 35 HD2 PHE 6 2HD PHE 6 1.491 -10.968 -7.971 36 HE1 PHE 6 1HE PHE 6 -0.692 -14.460 -10.628 37 HE2 PHE 6 2HE PHE 6 -0.883 -10.763 -8.546 38 HZ PHE 6 HZ PHE 6 -1.975 -12.505 -9.887 39 H HIS 7 H HIS 7 6.353 -13.036 -8.484 40 HA HIS 7 HA HIS 7 6.848 -10.988 -6.664 41 1HB HIS 7 2HB HIS 7 7.709 -13.257 -6.310 42 2HB HIS 7 1HB HIS 7 8.531 -13.229 -7.895 43 HD1 HIS 7 1HD HIS 7 9.231 -12.405 -4.357 44 HD2 HIS 7 2HD HIS 7 10.617 -11.397 -8.148 45 HE1 HIS 7 1HE HIS 7 11.339 -11.071 -3.977 46 H ARG 8 H ARG 8 8.223 -11.665 -9.941 47 HA ARG 8 HA ARG 8 10.023 -9.594 -9.988 48 1HB ARG 8 2HB ARG 8 9.846 -11.470 -11.648 49 2HB ARG 8 1HB ARG 8 8.341 -10.772 -12.276 50 1HG ARG 8 2HG ARG 8 9.677 -8.646 -12.902 51 2HG ARG 8 1HG ARG 8 11.140 -9.493 -12.335 52 1HD ARG 8 2HD ARG 8 11.056 -9.640 -14.747 53 2HD ARG 8 1HD ARG 8 10.729 -11.284 -14.106 54 HE ARG 8 HE ARG 8 8.693 -9.353 -15.287 55 1HH1 ARG 8 1HH1 ARG 8 9.372 -12.791 -14.320 56 2HH1 ARG 8 2HH1 ARG 8 8.083 -13.304 -15.384 57 1HH2 ARG 8 1HH2 ARG 8 7.078 -10.181 -16.453 58 2HH2 ARG 8 2HH2 ARG 8 6.773 -11.912 -16.493 59 H LEU 9 H LEU 9 6.706 -9.613 -11.366 60 HA LEU 9 HA LEU 9 6.663 -6.951 -12.081 61 1HB LEU 9 2HB LEU 9 4.536 -9.015 -11.350 62 2HB LEU 9 1HB LEU 9 4.080 -7.365 -11.887 63 HG LEU 9 HG LEU 9 5.921 -9.153 -13.559 64 1HD1 LEU 9 1HD1 LEU 9 3.932 -9.826 -14.876 65 2HD1 LEU 9 2HD1 LEU 9 2.848 -8.958 -13.727 66 3HD1 LEU 9 3HD1 LEU 9 3.804 -10.391 -13.172 67 1HD2 LEU 9 1HD2 LEU 9 4.131 -6.717 -14.228 68 2HD2 LEU 9 2HD2 LEU 9 5.055 -7.686 -15.425 69 3HD2 LEU 9 3HD2 LEU 9 5.939 -6.734 -14.180 70 H ALA 10 H ALA 10 5.746 -8.433 -8.966 71 HA ALA 10 HA ALA 10 4.782 -6.112 -7.768 72 1HB ALA 10 1HB ALA 10 6.206 -8.529 -6.510 73 2HB ALA 10 2HB ALA 10 4.430 -8.340 -6.733 74 3HB ALA 10 3HB ALA 10 5.304 -7.252 -5.604 75 H ASP 11 H ASP 11 8.106 -7.510 -7.561 76 HA ASP 11 HA ASP 11 9.131 -5.596 -5.935 77 1HB ASP 11 2HB ASP 11 9.989 -7.922 -6.716 78 2HB ASP 11 1HB ASP 11 10.663 -7.093 -8.157 79 H GLN 12 H GLN 12 9.195 -5.654 -9.491 80 HA GLN 12 HA GLN 12 10.403 -3.198 -9.857 81 1HB GLN 12 2HB GLN 12 8.290 -4.559 -11.603 82 2HB GLN 12 1HB GLN 12 9.288 -3.143 -12.066 83 1HG GLN 12 2HG GLN 12 11.343 -4.719 -11.424 84 2HG GLN 12 1HG GLN 12 10.173 -6.049 -11.634 85 1HE2 GLN 12 1HE2 GLN 12 11.416 -3.087 -13.299 86 2HE2 GLN 12 2HE2 GLN 12 11.330 -3.764 -14.903 87 H LEU 13 H LEU 13 6.747 -3.726 -9.728 88 HA LEU 13 HA LEU 13 6.445 -0.974 -9.980 89 1HB LEU 13 2HB LEU 13 4.188 -1.268 -9.754 90 2HB LEU 13 1HB LEU 13 4.869 -2.467 -10.915 91 HG LEU 13 HG LEU 13 4.662 -4.008 -8.634 92 1HD1 LEU 13 1HD1 LEU 13 2.310 -1.982 -8.570 93 2HD1 LEU 13 2HD1 LEU 13 3.571 -2.146 -7.291 94 3HD1 LEU 13 3HD1 LEU 13 2.408 -3.494 -7.611 95 1HD2 LEU 13 1HD2 LEU 13 2.397 -3.397 -10.652 96 2HD2 LEU 13 2HD2 LEU 13 2.585 -4.901 -9.677 97 3HD2 LEU 13 3HD2 LEU 13 3.791 -4.498 -10.953 98 H TRP 14 H TRP 14 6.432 -3.002 -7.114 99 HA TRP 14 HA TRP 14 5.866 -1.281 -5.097 100 1HB TRP 14 2HB TRP 14 7.822 -3.547 -5.526 101 2HB TRP 14 1HB TRP 14 8.153 -2.523 -4.134 102 HD1 TRP 14 HD TRP 14 7.706 -3.710 -2.144 103 HE1 TRP 14 1HE TRP 14 5.720 -5.010 -1.088 104 HE3 TRP 14 3HE TRP 14 4.630 -3.845 -6.167 105 HZ2 TRP 14 2HZ TRP 14 3.268 -6.040 -1.941 106 HZ3 TRP 14 3HZ TRP 14 2.538 -5.099 -6.027 107 HH2 TRP 14 HH TRP 14 1.865 -6.185 -3.952 108 H LEU 15 H LEU 15 9.134 -1.707 -6.486 109 HA LEU 15 HA LEU 15 10.258 0.448 -5.147 110 1HB LEU 15 2HB LEU 15 11.511 -1.428 -6.101 111 2HB LEU 15 1HB LEU 15 10.976 -1.002 -7.751 112 HG LEU 15 HG LEU 15 12.291 1.105 -7.657 113 1HD1 LEU 15 1HD1 LEU 15 13.190 0.136 -4.861 114 2HD1 LEU 15 2HD1 LEU 15 12.227 1.624 -5.215 115 3HD1 LEU 15 3HD1 LEU 15 13.926 1.492 -5.790 116 1HD2 LEU 15 1HD2 LEU 15 13.893 -1.405 -6.849 117 2HD2 LEU 15 2HD2 LEU 15 14.554 0.066 -7.657 118 3HD2 LEU 15 3HD2 LEU 15 13.354 -0.976 -8.520 119 H THR 16 H THR 16 8.847 0.242 -8.363 120 HA THR 16 HA THR 16 9.430 2.766 -9.263 121 HB THR 16 HB THR 16 6.948 1.139 -9.894 122 HG1 THR 16 1HG THR 16 8.812 0.088 -10.433 123 1HG2 THR 16 1HG2 THR 16 8.301 3.507 -11.366 124 2HG2 THR 16 2HG2 THR 16 6.644 3.514 -10.645 125 3HG2 THR 16 3HG2 THR 16 7.006 2.461 -12.044 126 H ILE 17 H ILE 17 6.436 1.762 -7.522 127 HA ILE 17 HA ILE 17 5.320 4.280 -7.368 128 HB ILE 17 HB ILE 17 5.026 1.888 -5.539 129 1HG1 ILE 17 2HG1 ILE 17 3.143 2.939 -7.724 130 2HG1 ILE 17 1HG1 ILE 17 4.387 1.709 -8.083 131 1HG2 ILE 17 1HG2 ILE 17 2.869 2.992 -4.875 132 2HG2 ILE 17 2HG2 ILE 17 3.321 4.457 -5.819 133 3HG2 ILE 17 3HG2 ILE 17 4.269 3.965 -4.364 134 1HD1 ILE 17 1HD1 ILE 17 3.410 0.197 -6.316 135 2HD1 ILE 17 2HD1 ILE 17 2.258 0.571 -7.645 136 3HD1 ILE 17 3HD1 ILE 17 2.088 1.384 -6.048 137 H GLU 18 H GLU 18 7.397 2.604 -4.934 138 HA GLU 18 HA GLU 18 7.237 4.575 -3.056 139 1HB GLU 18 2HB GLU 18 8.333 2.201 -2.955 140 2HB GLU 18 1HB GLU 18 9.801 3.015 -3.536 141 1HG GLU 18 2HG GLU 18 9.055 4.689 -1.404 142 2HG GLU 18 1HG GLU 18 8.462 3.085 -0.851 143 H GLU 19 H GLU 19 9.743 4.270 -5.586 144 HA GLU 19 HA GLU 19 11.125 6.588 -4.842 145 1HB GLU 19 2HB GLU 19 12.075 4.734 -6.152 146 2HB GLU 19 1HB GLU 19 11.002 5.125 -7.518 147 1HG GLU 19 2HG GLU 19 12.125 7.359 -7.789 148 2HG GLU 19 1HG GLU 19 13.135 7.040 -6.337 149 H ARG 20 H ARG 20 8.614 6.099 -7.354 150 HA ARG 20 HA ARG 20 8.849 8.657 -8.411 151 1HB ARG 20 2HB ARG 20 7.753 6.597 -9.466 152 2HB ARG 20 1HB ARG 20 6.322 6.985 -8.481 153 1HG ARG 20 2HG ARG 20 5.850 8.019 -10.544 154 2HG ARG 20 1HG ARG 20 6.505 9.381 -9.599 155 1HD ARG 20 2HD ARG 20 8.796 8.881 -10.737 156 2HD ARG 20 1HD ARG 20 7.929 7.710 -11.795 157 HE ARG 20 HE ARG 20 7.479 10.705 -11.637 158 1HH1 ARG 20 1HH1 ARG 20 7.196 7.810 -13.767 159 2HH1 ARG 20 2HH1 ARG 20 6.126 8.641 -14.821 160 1HH2 ARG 20 1HH2 ARG 20 6.560 11.726 -13.269 161 2HH2 ARG 20 2HH2 ARG 20 5.899 10.928 -14.651 162 H LEU 21 H LEU 21 6.522 7.400 -5.964 163 HA LEU 21 HA LEU 21 5.237 9.896 -5.721 164 1HB LEU 21 2HB LEU 21 5.083 7.257 -4.261 165 2HB LEU 21 1HB LEU 21 4.316 8.711 -3.562 166 HG LEU 21 HG LEU 21 2.981 9.084 -5.573 167 1HD1 LEU 21 1HD1 LEU 21 4.123 6.408 -6.586 168 2HD1 LEU 21 2HD1 LEU 21 4.255 8.029 -7.382 169 3HD1 LEU 21 3HD1 LEU 21 2.653 7.231 -7.243 170 1HD2 LEU 21 1HD2 LEU 21 2.687 6.269 -4.356 171 2HD2 LEU 21 2HD2 LEU 21 1.386 7.223 -5.164 172 3HD2 LEU 21 3HD2 LEU 21 2.101 7.812 -3.618 173 H ASP 22 H ASP 22 7.981 8.452 -3.903 174 HA ASP 22 HA ASP 22 7.921 10.451 -1.948 175 1HB ASP 22 2HB ASP 22 9.107 8.222 -1.890 176 2HB ASP 22 1HB ASP 22 10.385 8.931 -2.944 177 H ASP 23 H ASP 23 9.833 10.304 -5.016 178 HA ASP 23 HA ASP 23 11.005 12.780 -4.467 179 1HB ASP 23 2HB ASP 23 11.744 10.757 -5.970 180 2HB ASP 23 1HB ASP 23 10.846 11.590 -7.274 181 H TRP 24 H TRP 24 7.991 11.988 -5.929 182 HA TRP 24 HA TRP 24 7.357 13.983 -7.560 183 1HB TRP 24 2HB TRP 24 6.027 11.969 -6.928 184 2HB TRP 24 1HB TRP 24 5.626 12.721 -5.363 185 HD1 TRP 24 HD TRP 24 3.270 13.904 -5.418 186 HE1 TRP 24 1HE TRP 24 1.551 14.384 -7.284 187 HE3 TRP 24 3HE TRP 24 6.185 12.884 -9.448 188 HZ2 TRP 24 2HZ TRP 24 1.474 14.315 -10.099 189 HZ3 TRP 24 3HZ TRP 24 5.219 13.089 -11.688 190 HH2 TRP 24 HH TRP 24 2.909 13.771 -12.007 191 H ASP 25 H ASP 25 6.898 14.181 -4.047 192 HA ASP 25 HA ASP 25 6.444 15.742 -2.667 193 1HB ASP 25 2HB ASP 25 8.585 16.612 -3.706 194 2HB ASP 25 1HB ASP 25 7.585 17.783 -4.621 195 H GLY 26 H GLY 26 5.273 18.013 -2.360 196 1HA GLY 26 2HA GLY 26 3.051 18.400 -4.156 197 2HA GLY 26 1HA GLY 26 2.681 17.391 -2.712 198 H ASP 27 H ASP 27 1.120 19.037 -2.167 199 HA ASP 27 HA ASP 27 2.245 21.359 -0.828 200 1HB ASP 27 2HB ASP 27 -0.071 21.361 -1.886 201 2HB ASP 27 1HB ASP 27 -0.583 20.121 -0.700 202 H SER 28 H SER 28 0.816 18.207 -0.176 203 HA SER 28 HA SER 28 1.768 18.224 2.582 204 1HB SER 28 2HB SER 28 0.510 16.242 2.975 205 2HB SER 28 1HB SER 28 -0.527 17.449 2.162 206 HG SER 28 HG SER 28 -0.112 16.331 0.204 207 H ASP 29 H ASP 29 2.812 16.120 3.354 208 HA ASP 29 HA ASP 29 5.044 15.642 1.529 209 1HB ASP 29 2HB ASP 29 5.144 17.047 3.769 210 2HB ASP 29 1HB ASP 29 5.133 15.450 4.586 211 H ILE 30 H ILE 30 6.244 13.420 2.650 212 HA ILE 30 HA ILE 30 4.343 11.350 2.561 213 HB ILE 30 HB ILE 30 4.190 12.149 0.305 214 1HG1 ILE 30 2HG1 ILE 30 4.045 9.665 1.013 215 2HG1 ILE 30 1HG1 ILE 30 4.061 10.147 -0.698 216 1HG2 ILE 30 1HG2 ILE 30 6.398 13.181 0.010 217 2HG2 ILE 30 2HG2 ILE 30 6.085 11.979 -1.282 218 3HG2 ILE 30 3HG2 ILE 30 7.207 11.575 0.062 219 1HD1 ILE 30 1HD1 ILE 30 6.341 9.433 -1.036 220 2HD1 ILE 30 2HD1 ILE 30 5.483 8.104 -0.193 221 3HD1 ILE 30 3HD1 ILE 30 6.619 9.166 0.718 222 H ASP 31 H ASP 31 5.108 9.780 3.505 223 HA ASP 31 HA ASP 31 7.962 9.053 3.364 224 1HB ASP 31 2HB ASP 31 6.121 8.959 5.845 225 2HB ASP 31 1HB ASP 31 7.737 8.145 5.763 226 H CYS 32 H CYS 32 7.820 7.242 1.958 227 HA CYS 32 HA CYS 32 5.728 5.316 2.596 228 1HB CYS 32 2HB CYS 32 6.563 5.792 0.164 229 2HB CYS 32 1HB CYS 32 8.026 4.961 0.681 230 HG CYS 32 HG CYS 32 6.790 2.703 1.377 231 H GLU 33 H GLU 33 6.037 3.350 3.588 232 HA GLU 33 HA GLU 33 8.678 2.933 4.812 233 1HB GLU 33 2HB GLU 33 6.367 3.366 6.147 234 2HB GLU 33 1HB GLU 33 6.120 1.646 5.780 235 1HG GLU 33 2HG GLU 33 7.085 1.746 7.970 236 2HG GLU 33 1HG GLU 33 8.436 1.203 6.918 237 H ILE 34 H ILE 34 9.705 0.830 4.539 238 HA ILE 34 HA ILE 34 8.254 -1.068 2.951 239 HB ILE 34 HB ILE 34 9.880 -0.112 1.546 240 1HG1 ILE 34 2HG1 ILE 34 11.500 -2.028 1.230 241 2HG1 ILE 34 1HG1 ILE 34 10.891 -2.721 2.762 242 1HG2 ILE 34 1HG2 ILE 34 12.292 -0.023 2.088 243 2HG2 ILE 34 2HG2 ILE 34 11.980 -0.586 3.764 244 3HG2 ILE 34 3HG2 ILE 34 11.356 1.019 3.197 245 1HD1 ILE 34 1HD1 ILE 34 8.574 -2.925 1.677 246 2HD1 ILE 34 2HD1 ILE 34 9.834 -3.811 0.756 247 3HD1 ILE 34 3HD1 ILE 34 9.258 -2.214 0.163 248 H ASN 35 H ASN 35 7.856 -2.663 3.978 249 HA ASN 35 HA ASN 35 9.766 -3.845 5.882 250 1HB ASN 35 2HB ASN 35 6.700 -3.767 6.161 251 2HB ASN 35 1HB ASN 35 7.742 -4.867 7.144 252 1HD2 ASN 35 1HD2 ASN 35 9.735 -3.619 8.186 253 2HD2 ASN 35 2HD2 ASN 35 9.265 -2.142 9.002 254 H GLY 36 H GLY 36 8.807 -6.365 6.167 255 1HA GLY 36 2HA GLY 36 9.788 -7.425 3.821 256 2HA GLY 36 1HA GLY 36 8.999 -8.293 5.176 257 H GLY 37 H GLY 37 8.599 -6.893 2.024 258 1HA GLY 37 2HA GLY 37 7.241 -7.581 0.348 259 2HA GLY 37 1HA GLY 37 6.297 -8.584 1.497 260 H VAL 38 H VAL 38 6.727 -5.475 2.734 261 HA VAL 38 HA VAL 38 3.987 -4.784 1.907 262 HB VAL 38 HB VAL 38 5.236 -4.413 4.645 263 1HG1 VAL 38 1HG1 VAL 38 3.494 -2.720 4.159 264 2HG1 VAL 38 2HG1 VAL 38 2.812 -3.958 5.262 265 3HG1 VAL 38 3HG1 VAL 38 2.389 -3.985 3.509 266 1HG2 VAL 38 1HG2 VAL 38 4.941 -6.815 4.331 267 2HG2 VAL 38 2HG2 VAL 38 3.310 -6.583 3.603 268 3HG2 VAL 38 3HG2 VAL 38 3.588 -6.206 5.347 269 H LEU 39 H LEU 39 3.808 -2.741 0.997 270 HA LEU 39 HA LEU 39 5.616 -0.715 2.074 271 1HB LEU 39 2HB LEU 39 4.356 -1.055 -0.663 272 2HB LEU 39 1HB LEU 39 4.876 0.551 -0.118 273 HG LEU 39 HG LEU 39 6.813 -1.810 -0.142 274 1HD1 LEU 39 1HD1 LEU 39 7.629 -1.026 -2.372 275 2HD1 LEU 39 2HD1 LEU 39 6.436 0.313 -2.389 276 3HD1 LEU 39 3HD1 LEU 39 5.859 -1.395 -2.495 277 1HD2 LEU 39 1HD2 LEU 39 8.585 -0.082 -0.277 278 2HD2 LEU 39 2HD2 LEU 39 7.543 0.212 1.166 279 3HD2 LEU 39 3HD2 LEU 39 7.355 1.219 -0.331 280 H THR 40 H THR 40 4.629 0.787 3.216 281 HA THR 40 HA THR 40 1.812 1.318 2.639 282 HB THR 40 HB THR 40 1.779 2.252 5.007 283 HG1 THR 40 1HG THR 40 3.553 2.068 5.983 284 1HG2 THR 40 1HG2 THR 40 2.003 -0.813 4.587 285 2HG2 THR 40 2HG2 THR 40 0.529 0.196 4.299 286 3HG2 THR 40 3HG2 THR 40 1.174 0.002 5.968 287 H ILE 41 H ILE 41 1.520 3.193 1.761 288 HA ILE 41 HA ILE 41 3.778 5.053 1.768 289 HB ILE 41 HB ILE 41 1.215 5.139 0.194 290 1HG1 ILE 41 2HG1 ILE 41 3.967 4.384 -0.879 291 2HG1 ILE 41 1HG1 ILE 41 2.840 3.137 -0.280 292 1HG2 ILE 41 1HG2 ILE 41 3.864 6.717 -0.032 293 2HG2 ILE 41 2HG2 ILE 41 2.282 7.394 0.514 294 3HG2 ILE 41 3HG2 ILE 41 2.481 6.837 -1.175 295 1HD1 ILE 41 1HD1 ILE 41 1.086 3.899 -1.919 296 2HD1 ILE 41 2HD1 ILE 41 2.602 3.336 -2.697 297 3HD1 ILE 41 3HD1 ILE 41 2.260 5.104 -2.579 298 H THR 42 H THR 42 3.815 6.512 3.357 299 HA THR 42 HA THR 42 1.270 7.164 4.656 300 HB THR 42 HB THR 42 3.826 8.260 5.759 301 HG1 THR 42 1HG THR 42 4.426 6.249 5.421 302 1HG2 THR 42 1HG2 THR 42 1.271 6.961 6.940 303 2HG2 THR 42 2HG2 THR 42 1.530 8.737 6.743 304 3HG2 THR 42 3HG2 THR 42 2.572 7.793 7.863 305 H PHE 43 H PHE 43 0.316 9.156 4.302 306 HA PHE 43 HA PHE 43 2.113 11.307 3.437 307 1HB PHE 43 2HB PHE 43 0.038 12.376 2.373 308 2HB PHE 43 1HB PHE 43 0.833 11.031 1.513 309 HD1 PHE 43 1HD PHE 43 -0.120 8.806 1.490 310 HD2 PHE 43 2HD PHE 43 -2.186 12.093 3.210 311 HE1 PHE 43 1HE PHE 43 -2.203 7.525 1.412 312 HE2 PHE 43 2HE PHE 43 -4.285 10.837 3.100 313 HZ PHE 43 HZ PHE 43 -4.282 8.517 2.224 314 H GLU 44 H GLU 44 1.629 13.445 4.349 315 HA GLU 44 HA GLU 44 1.886 12.841 6.957 316 1HB GLU 44 2HB GLU 44 2.967 14.861 6.900 317 2HB GLU 44 1HB GLU 44 2.844 14.453 5.182 318 1HG GLU 44 2HG GLU 44 2.185 16.551 4.902 319 2HG GLU 44 1HG GLU 44 0.547 15.933 5.288 320 H ASN 45 H ASN 45 -0.890 13.701 5.383 321 HA ASN 45 HA ASN 45 -2.440 14.882 7.389 322 1HB ASN 45 2HB ASN 45 -2.768 14.495 4.782 323 2HB ASN 45 1HB ASN 45 -3.521 12.947 5.247 324 1HD2 ASN 45 1HD2 ASN 45 -5.323 14.041 4.004 325 2HD2 ASN 45 2HD2 ASN 45 -6.371 15.126 4.850 326 H GLY 46 H GLY 46 -1.323 11.618 7.098 327 1HA GLY 46 2HA GLY 46 -1.283 10.269 8.890 328 2HA GLY 46 1HA GLY 46 -2.753 11.033 9.564 329 H SER 47 H SER 47 -2.917 10.155 6.285 330 HA SER 47 HA SER 47 -4.196 7.576 6.921 331 1HB SER 47 2HB SER 47 -4.997 9.727 4.938 332 2HB SER 47 1HB SER 47 -5.361 8.003 4.578 333 HG SER 47 HG SER 47 -6.743 9.589 6.134 334 H LYS 48 H LYS 48 -4.169 6.176 4.682 335 HA LYS 48 HA LYS 48 -1.430 6.221 3.781 336 1HB LYS 48 2HB LYS 48 -0.942 4.017 4.971 337 2HB LYS 48 1HB LYS 48 -0.984 5.477 5.986 338 1HG LYS 48 2HG LYS 48 -3.244 4.980 6.786 339 2HG LYS 48 1HG LYS 48 -3.356 3.566 5.694 340 1HD LYS 48 2HD LYS 48 -1.314 2.614 6.952 341 2HD LYS 48 1HD LYS 48 -1.502 3.940 8.132 342 1HE LYS 48 2HE LYS 48 -3.610 1.761 7.466 343 2HE LYS 48 1HE LYS 48 -2.541 1.797 8.914 344 1HZ LYS 48 1HZ LYS 48 -3.593 3.826 9.597 345 2HZ LYS 48 2HZ LYS 48 -4.737 2.606 9.384 346 3HZ LYS 48 3HZ LYS 48 -4.623 3.829 8.235 347 H ILE 49 H ILE 49 -0.863 4.759 2.272 348 HA ILE 49 HA ILE 49 -3.023 3.226 1.018 349 HB ILE 49 HB ILE 49 -0.178 3.480 0.038 350 1HG1 ILE 49 2HG1 ILE 49 -0.766 5.765 0.326 351 2HG1 ILE 49 1HG1 ILE 49 -0.643 5.308 -1.387 352 1HG2 ILE 49 1HG2 ILE 49 -1.623 1.736 -1.015 353 2HG2 ILE 49 2HG2 ILE 49 -1.180 3.040 -2.161 354 3HG2 ILE 49 3HG2 ILE 49 -2.827 3.009 -1.454 355 1HD1 ILE 49 1HD1 ILE 49 -3.194 5.233 -1.535 356 2HD1 ILE 49 2HD1 ILE 49 -2.496 6.851 -1.184 357 3HD1 ILE 49 3HD1 ILE 49 -3.236 5.904 0.149 358 H ILE 50 H ILE 50 -2.867 0.921 1.012 359 HA ILE 50 HA ILE 50 -0.634 -0.168 2.585 360 HB ILE 50 HB ILE 50 -3.313 -1.470 2.356 361 1HG1 ILE 50 2HG1 ILE 50 -3.889 0.795 3.177 362 2HG1 ILE 50 1HG1 ILE 50 -4.150 -0.533 4.330 363 1HG2 ILE 50 1HG2 ILE 50 -2.644 -2.441 4.525 364 2HG2 ILE 50 2HG2 ILE 50 -1.063 -1.576 4.451 365 3HG2 ILE 50 3HG2 ILE 50 -1.476 -2.833 3.212 366 1HD1 ILE 50 1HD1 ILE 50 -2.080 0.099 5.605 367 2HD1 ILE 50 2HD1 ILE 50 -3.216 1.484 5.431 368 3HD1 ILE 50 3HD1 ILE 50 -1.731 1.409 4.413 369 H ILE 51 H ILE 51 0.658 -1.345 1.197 370 HA ILE 51 HA ILE 51 -0.756 -3.183 -0.611 371 HB ILE 51 HB ILE 51 1.890 -1.955 -1.316 372 1HG1 ILE 51 2HG1 ILE 51 -0.970 -0.986 -1.676 373 2HG1 ILE 51 1HG1 ILE 51 0.454 -0.084 -1.185 374 1HG2 ILE 51 1HG2 ILE 51 -0.353 -3.468 -2.843 375 2HG2 ILE 51 2HG2 ILE 51 1.199 -4.208 -2.314 376 3HG2 ILE 51 3HG2 ILE 51 1.197 -2.926 -3.561 377 1HD1 ILE 51 1HD1 ILE 51 -0.139 -1.211 -4.018 378 2HD1 ILE 51 2HD1 ILE 51 1.365 -0.298 -3.583 379 3HD1 ILE 51 3HD1 ILE 51 -0.243 0.515 -3.524 380 H ASN 52 H ASN 52 -0.336 -5.220 -0.395 381 HA ASN 52 HA ASN 52 2.206 -6.141 0.405 382 1HB ASN 52 2HB ASN 52 1.431 -7.588 2.294 383 2HB ASN 52 1HB ASN 52 1.481 -5.841 2.659 384 1HD2 ASN 52 1HD2 ASN 52 -0.293 -5.044 3.708 385 2HD2 ASN 52 2HD2 ASN 52 -1.887 -5.758 3.663 386 H ARG 53 H ARG 53 2.317 -8.551 0.339 387 HA ARG 53 HA ARG 53 0.380 -9.754 -1.450 388 1HB ARG 53 2HB ARG 53 2.391 -10.279 -2.871 389 2HB ARG 53 1HB ARG 53 1.946 -8.513 -2.833 390 1HG ARG 53 2HG ARG 53 3.839 -8.017 -1.358 391 2HG ARG 53 1HG ARG 53 4.168 -9.745 -1.080 392 1HD ARG 53 2HD ARG 53 4.875 -10.056 -3.446 393 2HD ARG 53 1HD ARG 53 4.450 -8.343 -3.801 394 HE ARG 53 HE ARG 53 6.450 -7.659 -2.781 395 1HH1 ARG 53 1HH1 ARG 53 6.011 -10.943 -1.287 396 2HH1 ARG 53 2HH1 ARG 53 7.691 -11.224 -1.439 397 1HH2 ARG 53 1HH2 ARG 53 8.697 -8.192 -2.654 398 2HH2 ARG 53 2HH2 ARG 53 9.105 -9.783 -2.096 399 H GLN 54 H GLN 54 0.478 -12.064 -1.420 400 HA GLN 54 HA GLN 54 2.348 -13.222 0.523 401 1HB GLN 54 2HB GLN 54 -0.509 -13.801 -0.426 402 2HB GLN 54 1HB GLN 54 0.478 -15.070 0.334 403 1HG GLN 54 2HG GLN 54 -0.283 -12.351 1.632 404 2HG GLN 54 1HG GLN 54 -1.110 -13.918 1.930 405 1HE2 GLN 54 1HE2 GLN 54 1.353 -11.871 3.066 406 2HE2 GLN 54 2HE2 GLN 54 2.204 -13.033 4.058 407 H GLU 55 H GLU 55 4.031 -13.929 -0.641 408 HA GLU 55 HA GLU 55 3.955 -14.217 -3.345 409 1HB GLU 55 2HB GLU 55 5.929 -13.728 -1.839 410 2HB GLU 55 1HB GLU 55 6.108 -15.493 -1.667 411 1HG GLU 55 2HG GLU 55 6.231 -15.631 -4.239 412 2HG GLU 55 1HG GLU 55 6.194 -13.839 -4.286 413 HA PRO 56 HA PRO 56 3.763 -18.789 -3.350 414 1HB PRO 56 2HB PRO 56 2.083 -19.338 -0.848 415 2HB PRO 56 1HB PRO 56 3.254 -20.442 -1.674 416 1HG PRO 56 2HG PRO 56 4.043 -19.091 0.565 417 2HG PRO 56 1HG PRO 56 5.146 -19.084 -0.880 418 1HD PRO 56 2HD PRO 56 3.122 -16.908 -0.064 419 2HD PRO 56 1HD PRO 56 4.870 -16.733 -0.532 420 H LEU 57 H LEU 57 0.977 -16.783 -2.511 421 HA LEU 57 HA LEU 57 -0.728 -18.808 -3.679 422 1HB LEU 57 2HB LEU 57 -2.688 -17.686 -2.940 423 2HB LEU 57 1HB LEU 57 -1.558 -18.366 -1.742 424 HG LEU 57 HG LEU 57 -0.525 -16.131 -1.539 425 1HD1 LEU 57 1HD1 LEU 57 -1.490 -14.834 -3.423 426 2HD1 LEU 57 2HD1 LEU 57 -2.119 -14.100 -1.902 427 3HD1 LEU 57 3HD1 LEU 57 -3.169 -15.198 -2.865 428 1HD2 LEU 57 1HD2 LEU 57 -2.286 -15.393 0.188 429 2HD2 LEU 57 2HD2 LEU 57 -1.958 -17.165 0.226 430 3HD2 LEU 57 3HD2 LEU 57 -3.448 -16.534 -0.573 431 H HIS 58 H HIS 58 0.755 -15.980 -4.875 432 HA HIS 58 HA HIS 58 0.703 -15.099 -6.906 433 1HB HIS 58 2HB HIS 58 -1.315 -17.151 -7.801 434 2HB HIS 58 1HB HIS 58 -0.152 -16.217 -8.795 435 HD1 HIS 58 1HD HIS 58 -0.421 -19.456 -8.394 436 HD2 HIS 58 2HD HIS 58 2.510 -16.979 -6.668 437 HE1 HIS 58 1HE HIS 58 1.533 -20.918 -7.768 438 H GLN 59 H GLN 59 -0.660 -13.575 -5.193 439 HA GLN 59 HA GLN 59 -2.246 -12.163 -7.020 440 1HB GLN 59 2HB GLN 59 -3.945 -13.803 -6.145 441 2HB GLN 59 1HB GLN 59 -3.736 -13.092 -4.520 442 1HG GLN 59 2HG GLN 59 -4.646 -10.941 -5.279 443 2HG GLN 59 1HG GLN 59 -4.496 -11.421 -7.003 444 1HE2 GLN 59 1HE2 GLN 59 -6.250 -12.258 -7.972 445 2HE2 GLN 59 2HE2 GLN 59 -7.690 -12.825 -7.184 446 H VAL 60 H VAL 60 -2.712 -10.007 -6.163 447 HA VAL 60 HA VAL 60 -1.048 -9.257 -3.860 448 HB VAL 60 HB VAL 60 -1.613 -7.960 -6.526 449 1HG1 VAL 60 1HG1 VAL 60 -1.636 -6.069 -4.955 450 2HG1 VAL 60 2HG1 VAL 60 -0.018 -6.115 -5.712 451 3HG1 VAL 60 3HG1 VAL 60 -0.233 -6.736 -4.035 452 1HG2 VAL 60 1HG2 VAL 60 0.943 -8.032 -6.627 453 2HG2 VAL 60 2HG2 VAL 60 0.222 -9.676 -6.513 454 3HG2 VAL 60 3HG2 VAL 60 0.956 -8.892 -5.054 455 H TRP 61 H TRP 61 -1.803 -7.462 -2.584 456 HA TRP 61 HA TRP 61 -4.695 -7.090 -2.705 457 1HB TRP 61 2HB TRP 61 -4.666 -7.847 -0.607 458 2HB TRP 61 1HB TRP 61 -2.887 -7.867 -0.590 459 HD1 TRP 61 HD TRP 61 -1.909 -5.134 -0.368 460 HE1 TRP 61 1HE TRP 61 -2.655 -3.387 1.354 461 HE3 TRP 61 3HE TRP 61 -6.188 -7.329 1.153 462 HZ2 TRP 61 2HZ TRP 61 -4.467 -3.391 3.629 463 HZ3 TRP 61 3HZ TRP 61 -7.370 -6.444 3.103 464 HH2 TRP 61 HH TRP 61 -6.510 -4.528 4.332 465 H LEU 62 H LEU 62 -5.504 -4.965 -2.379 466 HA LEU 62 HA LEU 62 -3.569 -2.800 -2.661 467 1HB LEU 62 2HB LEU 62 -4.495 -3.969 -4.840 468 2HB LEU 62 1HB LEU 62 -6.021 -3.146 -4.485 469 HG LEU 62 HG LEU 62 -4.762 -2.074 -6.177 470 1HD1 LEU 62 1HD1 LEU 62 -4.456 -0.214 -3.729 471 2HD1 LEU 62 2HD1 LEU 62 -6.002 -0.505 -4.618 472 3HD1 LEU 62 3HD1 LEU 62 -4.608 0.278 -5.451 473 1HD2 LEU 62 1HD2 LEU 62 -2.481 -2.872 -5.600 474 2HD2 LEU 62 2HD2 LEU 62 -2.400 -1.698 -4.233 475 3HD2 LEU 62 3HD2 LEU 62 -2.495 -1.097 -5.928 476 H ALA 63 H ALA 63 -4.151 -1.922 -0.557 477 HA ALA 63 HA ALA 63 -6.932 -1.020 -0.466 478 1HB ALA 63 1HB ALA 63 -6.390 -2.830 1.193 479 2HB ALA 63 2HB ALA 63 -6.912 -1.282 1.947 480 3HB ALA 63 3HB ALA 63 -5.174 -1.742 1.925 481 H THR 64 H THR 64 -7.495 0.803 0.449 482 HA THR 64 HA THR 64 -5.585 2.675 1.406 483 HB THR 64 HB THR 64 -7.173 3.674 -0.991 484 HG1 THR 64 1HG THR 64 -4.694 2.474 -0.813 485 1HG2 THR 64 1HG2 THR 64 -5.450 5.535 -0.732 486 2HG2 THR 64 2HG2 THR 64 -4.848 4.734 0.768 487 3HG2 THR 64 3HG2 THR 64 -6.512 5.408 0.707 488 H LYS 65 H LYS 65 -8.655 3.705 -0.051 489 HA LYS 65 HA LYS 65 -9.465 4.550 2.598 490 1HB LYS 65 2HB LYS 65 -9.148 6.076 0.583 491 2HB LYS 65 1HB LYS 65 -10.697 5.451 -0.031 492 1HG LYS 65 2HG LYS 65 -10.322 6.524 2.836 493 2HG LYS 65 1HG LYS 65 -10.557 7.630 1.467 494 1HD LYS 65 2HD LYS 65 -12.743 6.705 0.937 495 2HD LYS 65 1HD LYS 65 -12.621 5.483 2.244 496 1HE LYS 65 2HE LYS 65 -12.604 7.208 3.992 497 2HE LYS 65 1HE LYS 65 -12.478 8.520 2.758 498 1HZ LYS 65 1HZ LYS 65 -14.705 8.188 3.652 499 2HZ LYS 65 2HZ LYS 65 -14.809 6.663 2.961 500 3HZ LYS 65 3HZ LYS 65 -14.615 8.031 1.967 501 H GLN 66 H GLN 66 -10.642 2.826 -0.330 502 HA GLN 66 HA GLN 66 -13.234 2.420 0.605 503 1HB GLN 66 2HB GLN 66 -11.442 1.148 -1.514 504 2HB GLN 66 1HB GLN 66 -13.143 0.655 -1.331 505 1HG GLN 66 2HG GLN 66 -12.348 3.602 -1.828 506 2HG GLN 66 1HG GLN 66 -12.544 2.390 -3.138 507 1HE2 GLN 66 1HE2 GLN 66 -14.143 4.308 -3.596 508 2HE2 GLN 66 2HE2 GLN 66 -15.783 3.958 -3.110 509 H GLY 67 H GLY 67 -10.308 0.607 1.127 510 1HA GLY 67 2HA GLY 67 -10.603 -0.414 3.360 511 2HA GLY 67 1HA GLY 67 -11.886 -1.423 2.602 512 H GLY 68 H GLY 68 -10.559 -1.766 0.136 513 1HA GLY 68 2HA GLY 68 -8.247 -2.637 -0.290 514 2HA GLY 68 1HA GLY 68 -8.607 -3.825 0.996 515 H TYR 69 H TYR 69 -8.207 -3.538 -2.149 516 HA TYR 69 HA TYR 69 -10.196 -5.562 -2.920 517 1HB TYR 69 2HB TYR 69 -8.659 -3.476 -4.572 518 2HB TYR 69 1HB TYR 69 -9.788 -4.696 -5.253 519 HD1 TYR 69 1HD TYR 69 -9.914 -1.967 -5.889 520 HD2 TYR 69 2HD TYR 69 -11.817 -4.006 -2.673 521 HE1 TYR 69 1HE TYR 69 -11.675 -0.289 -5.860 522 HE2 TYR 69 2HE TYR 69 -13.543 -2.324 -2.619 523 HH TYR 69 HH TYR 69 -14.319 -0.376 -3.474 524 H HIS 70 H HIS 70 -9.220 -7.041 -4.656 525 HA HIS 70 HA HIS 70 -6.318 -7.209 -4.358 526 1HB HIS 70 2HB HIS 70 -6.773 -9.731 -5.112 527 2HB HIS 70 1HB HIS 70 -6.771 -9.225 -3.409 528 HD1 HIS 70 1HD HIS 70 -9.450 -10.457 -5.936 529 HD2 HIS 70 2HD HIS 70 -9.023 -9.214 -1.922 530 HE1 HIS 70 1HE HIS 70 -11.496 -11.057 -4.786 531 H PHE 71 H PHE 71 -5.229 -8.234 -6.179 532 HA PHE 71 HA PHE 71 -6.079 -6.603 -8.470 533 1HB PHE 71 2HB PHE 71 -4.854 -5.537 -6.492 534 2HB PHE 71 1HB PHE 71 -3.553 -6.734 -6.673 535 HD1 PHE 71 1HD PHE 71 -5.436 -4.413 -8.982 536 HD2 PHE 71 2HD PHE 71 -1.688 -5.682 -7.414 537 HE1 PHE 71 1HE PHE 71 -4.327 -2.634 -10.202 538 HE2 PHE 71 2HE PHE 71 -0.561 -3.893 -8.634 539 HZ PHE 71 HZ PHE 71 -1.857 -2.343 -10.001 540 H ASP 72 H ASP 72 -5.668 -7.603 -10.453 541 HA ASP 72 HA ASP 72 -3.490 -9.539 -10.513 542 1HB ASP 72 2HB ASP 72 -6.185 -10.034 -11.882 543 2HB ASP 72 1HB ASP 72 -4.731 -11.104 -11.895 544 H LEU 73 H LEU 73 -2.642 -9.926 -12.613 545 HA LEU 73 HA LEU 73 -2.886 -7.706 -14.470 546 1HB LEU 73 2HB LEU 73 -0.681 -8.615 -13.862 547 2HB LEU 73 1HB LEU 73 -1.196 -10.245 -14.377 548 HG LEU 73 HG LEU 73 -1.382 -9.436 -16.740 549 1HD1 LEU 73 1HD1 LEU 73 -0.122 -6.827 -15.667 550 2HD1 LEU 73 2HD1 LEU 73 -1.788 -6.975 -16.354 551 3HD1 LEU 73 3HD1 LEU 73 -0.343 -7.261 -17.394 552 1HD2 LEU 73 1HD2 LEU 73 1.345 -8.941 -15.409 553 2HD2 LEU 73 2HD2 LEU 73 1.053 -9.296 -17.152 554 3HD2 LEU 73 3HD2 LEU 73 0.672 -10.543 -15.914 555 H LYS 74 H LYS 74 -4.040 -7.689 -16.275 556 HA LYS 74 HA LYS 74 -5.037 -10.174 -17.407 557 1HB LYS 74 2HB LYS 74 -5.373 -7.206 -18.046 558 2HB LYS 74 1HB LYS 74 -5.999 -8.497 -19.132 559 1HG LYS 74 2HG LYS 74 -6.803 -8.065 -16.194 560 2HG LYS 74 1HG LYS 74 -7.728 -7.564 -17.642 561 1HD LYS 74 2HD LYS 74 -7.850 -9.984 -18.360 562 2HD LYS 74 1HD LYS 74 -7.060 -10.456 -16.815 563 1HE LYS 74 2HE LYS 74 -8.967 -9.411 -15.530 564 2HE LYS 74 1HE LYS 74 -9.762 -8.991 -17.100 565 1HZ LYS 74 1HZ LYS 74 -9.666 -11.488 -15.700 566 2HZ LYS 74 2HZ LYS 74 -9.201 -11.656 -17.330 567 3HZ LYS 74 3HZ LYS 74 -10.677 -10.974 -16.959 568 H GLY 75 H GLY 75 -3.707 -7.498 -19.323 569 1HA GLY 75 2HA GLY 75 -1.397 -9.200 -19.970 570 2HA GLY 75 1HA GLY 75 -2.459 -8.494 -21.235 571 H ASP 76 H ASP 76 -2.815 -5.974 -20.663 572 HA ASP 76 HA ASP 76 -0.154 -4.778 -20.413 573 1HB ASP 76 2HB ASP 76 -2.900 -3.640 -21.236 574 2HB ASP 76 1HB ASP 76 -1.351 -2.717 -21.231 575 H GLU 77 H GLU 77 -2.974 -5.461 -18.564 576 HA GLU 77 HA GLU 77 -2.870 -2.929 -17.037 577 1HB GLU 77 2HB GLU 77 -4.408 -3.123 -19.083 578 2HB GLU 77 1HB GLU 77 -5.298 -4.389 -18.201 579 1HG GLU 77 2HG GLU 77 -5.929 -2.698 -16.437 580 2HG GLU 77 1HG GLU 77 -4.885 -1.465 -17.249 581 H TRP 78 H TRP 78 -2.620 -3.329 -14.996 582 HA TRP 78 HA TRP 78 -3.574 -5.845 -13.856 583 1HB TRP 78 2HB TRP 78 -2.128 -3.430 -12.663 584 2HB TRP 78 1HB TRP 78 -2.876 -4.723 -11.667 585 HD1 TRP 78 HD TRP 78 0.044 -4.458 -14.321 586 HE1 TRP 78 1HE TRP 78 1.743 -6.275 -13.671 587 HE3 TRP 78 3HE TRP 78 -2.533 -6.575 -10.498 588 HZ2 TRP 78 2HZ TRP 78 1.923 -8.355 -11.750 589 HZ3 TRP 78 3HZ TRP 78 -1.545 -8.459 -9.293 590 HH2 TRP 78 HH TRP 78 0.634 -9.336 -9.909 591 H ILE 79 H ILE 79 -5.751 -5.979 -13.694 592 HA ILE 79 HA ILE 79 -7.212 -3.530 -13.153 593 HB ILE 79 HB ILE 79 -9.031 -4.342 -14.036 594 1HG1 ILE 79 2HG1 ILE 79 -8.172 -7.201 -13.417 595 2HG1 ILE 79 1HG1 ILE 79 -9.425 -6.243 -12.595 596 1HG2 ILE 79 1HG2 ILE 79 -7.214 -4.192 -15.722 597 2HG2 ILE 79 2HG2 ILE 79 -8.495 -5.346 -16.189 598 3HG2 ILE 79 3HG2 ILE 79 -6.920 -5.966 -15.575 599 1HD1 ILE 79 1HD1 ILE 79 -9.619 -7.108 -15.539 600 2HD1 ILE 79 2HD1 ILE 79 -10.809 -6.097 -14.643 601 3HD1 ILE 79 3HD1 ILE 79 -10.518 -7.796 -14.133 602 H CYS 80 H CYS 80 -8.740 -3.488 -11.430 603 HA CYS 80 HA CYS 80 -7.792 -5.003 -9.183 604 1HB CYS 80 2HB CYS 80 -10.024 -2.954 -9.274 605 2HB CYS 80 1HB CYS 80 -9.339 -3.700 -7.809 606 HG CYS 80 HG CYS 80 -6.868 -2.904 -8.196 607 H ASP 81 H ASP 81 -8.764 -6.897 -8.507 608 HA ASP 81 HA ASP 81 -10.571 -8.210 -10.198 609 1HB ASP 81 2HB ASP 81 -8.654 -9.254 -8.958 610 2HB ASP 81 1HB ASP 81 -9.446 -8.829 -7.398 611 H ARG 82 H ARG 82 -10.721 -7.086 -6.864 612 HA ARG 82 HA ARG 82 -13.517 -7.597 -6.545 613 1HB ARG 82 2HB ARG 82 -11.524 -7.674 -4.859 614 2HB ARG 82 1HB ARG 82 -11.695 -5.899 -4.755 615 1HG ARG 82 2HG ARG 82 -13.819 -8.042 -4.069 616 2HG ARG 82 1HG ARG 82 -12.714 -7.229 -2.930 617 1HD ARG 82 2HD ARG 82 -13.820 -4.981 -3.587 618 2HD ARG 82 1HD ARG 82 -15.104 -5.936 -4.417 619 HE ARG 82 HE ARG 82 -14.426 -5.917 -1.496 620 1HH1 ARG 82 1HH1 ARG 82 -16.615 -7.314 -3.991 621 2HH1 ARG 82 2HH1 ARG 82 -17.467 -8.226 -2.795 622 1HH2 ARG 82 1HH2 ARG 82 -15.176 -7.641 -0.237 623 2HH2 ARG 82 2HH2 ARG 82 -16.493 -8.590 -0.741 624 H SER 83 H SER 83 -15.178 -6.059 -6.616 625 HA SER 83 HA SER 83 -16.269 -4.364 -7.307 626 1HB SER 83 2HB SER 83 -13.782 -2.619 -7.129 627 2HB SER 83 1HB SER 83 -15.448 -2.054 -7.479 628 HG SER 83 HG SER 83 -14.683 -1.966 -5.276 629 H GLY 84 H GLY 84 -13.139 -4.212 -8.991 630 1HA GLY 84 2HA GLY 84 -12.971 -4.848 -11.264 631 2HA GLY 84 1HA GLY 84 -14.608 -4.157 -11.558 632 H GLU 85 H GLU 85 -11.164 -3.453 -11.324 633 HA GLU 85 HA GLU 85 -11.711 -0.777 -12.142 634 1HB GLU 85 2HB GLU 85 -11.855 -1.147 -9.422 635 2HB GLU 85 1HB GLU 85 -10.191 -0.608 -9.562 636 1HG GLU 85 2HG GLU 85 -10.843 1.511 -10.583 637 2HG GLU 85 1HG GLU 85 -12.477 0.893 -10.985 638 H THR 86 H THR 86 -8.991 0.114 -11.077 639 HA THR 86 HA THR 86 -7.476 -1.220 -13.222 640 HB THR 86 HB THR 86 -8.383 1.688 -12.935 641 HG1 THR 86 1HG THR 86 -9.573 1.352 -14.687 642 1HG2 THR 86 1HG2 THR 86 -6.622 0.335 -15.123 643 2HG2 THR 86 2HG2 THR 86 -6.092 1.658 -13.997 644 3HG2 THR 86 3HG2 THR 86 -7.314 1.988 -15.261 645 H PHE 87 H PHE 87 -5.230 -1.211 -12.658 646 HA PHE 87 HA PHE 87 -4.250 -0.486 -10.415 647 1HB PHE 87 2HB PHE 87 -2.003 -0.429 -11.436 648 2HB PHE 87 1HB PHE 87 -3.050 -1.797 -11.868 649 HD1 PHE 87 1HD PHE 87 -4.260 0.545 -14.158 650 HD2 PHE 87 2HD PHE 87 -0.782 -1.675 -13.133 651 HE1 PHE 87 1HE PHE 87 -3.580 0.544 -16.479 652 HE2 PHE 87 2HE PHE 87 -0.102 -1.686 -15.483 653 HZ PHE 87 HZ PHE 87 -1.507 -0.587 -17.167 654 H TRP 88 H TRP 88 -2.847 1.671 -12.792 655 HA TRP 88 HA TRP 88 -2.090 3.414 -10.813 656 1HB TRP 88 2HB TRP 88 -2.370 3.875 -13.840 657 2HB TRP 88 1HB TRP 88 -1.421 4.882 -12.706 658 HD1 TRP 88 HD TRP 88 -0.949 1.922 -14.953 659 HE1 TRP 88 1HE TRP 88 1.318 0.784 -14.437 660 HE3 TRP 88 3HE TRP 88 0.237 4.388 -10.680 661 HZ2 TRP 88 2HZ TRP 88 3.436 1.138 -12.637 662 HZ3 TRP 88 3HZ TRP 88 2.408 3.954 -9.628 663 HH2 TRP 88 HH TRP 88 3.975 2.365 -10.581 664 H ASP 89 H ASP 89 -5.003 3.321 -12.660 665 HA ASP 89 HA ASP 89 -5.877 5.950 -12.157 666 1HB ASP 89 2HB ASP 89 -6.552 4.124 -13.967 667 2HB ASP 89 1HB ASP 89 -7.710 3.555 -12.706 668 H LEU 90 H LEU 90 -6.505 2.792 -10.468 669 HA LEU 90 HA LEU 90 -8.296 3.867 -8.699 670 1HB LEU 90 2HB LEU 90 -8.094 1.457 -9.013 671 2HB LEU 90 1HB LEU 90 -6.426 1.462 -8.406 672 HG LEU 90 HG LEU 90 -7.167 2.154 -6.166 673 1HD1 LEU 90 1HD1 LEU 90 -9.201 3.494 -6.640 674 2HD1 LEU 90 2HD1 LEU 90 -9.630 2.127 -5.553 675 3HD1 LEU 90 3HD1 LEU 90 -10.041 2.036 -7.302 676 1HD2 LEU 90 1HD2 LEU 90 -8.836 -0.235 -7.126 677 2HD2 LEU 90 2HD2 LEU 90 -8.293 0.087 -5.442 678 3HD2 LEU 90 3HD2 LEU 90 -7.072 -0.294 -6.720 679 H LEU 91 H LEU 91 -4.820 3.242 -8.548 680 HA LEU 91 HA LEU 91 -4.265 4.153 -6.012 681 1HB LEU 91 2HB LEU 91 -2.715 2.929 -7.601 682 2HB LEU 91 1HB LEU 91 -2.492 4.457 -8.492 683 HG LEU 91 HG LEU 91 -1.560 5.487 -6.353 684 1HD1 LEU 91 1HD1 LEU 91 -1.654 2.575 -5.336 685 2HD1 LEU 91 2HD1 LEU 91 -2.554 3.980 -4.639 686 3HD1 LEU 91 3HD1 LEU 91 -0.760 3.931 -4.555 687 1HD2 LEU 91 1HD2 LEU 91 0.652 4.338 -6.543 688 2HD2 LEU 91 2HD2 LEU 91 -0.085 4.631 -8.165 689 3HD2 LEU 91 3HD2 LEU 91 -0.126 2.980 -7.436 690 H GLU 92 H GLU 92 -4.411 6.027 -8.978 691 HA GLU 92 HA GLU 92 -3.806 8.543 -7.926 692 1HB GLU 92 2HB GLU 92 -3.833 7.937 -10.342 693 2HB GLU 92 1HB GLU 92 -5.605 7.755 -10.275 694 1HG GLU 92 2HG GLU 92 -5.765 10.247 -9.672 695 2HG GLU 92 1HG GLU 92 -3.987 10.362 -9.920 696 H GLN 93 H GLN 93 -6.952 6.930 -8.366 697 HA GLN 93 HA GLN 93 -8.588 8.950 -7.453 698 1HB GLN 93 2HB GLN 93 -9.198 6.885 -8.738 699 2HB GLN 93 1HB GLN 93 -8.925 5.901 -7.285 700 1HG GLN 93 2HG GLN 93 -10.810 7.061 -6.106 701 2HG GLN 93 1HG GLN 93 -11.037 8.151 -7.529 702 1HE2 GLN 93 1HE2 GLN 93 -11.027 4.645 -6.564 703 2HE2 GLN 93 2HE2 GLN 93 -12.023 4.116 -7.886 704 H ALA 94 H ALA 94 -7.359 6.128 -5.672 705 HA ALA 94 HA ALA 94 -8.319 6.569 -3.146 706 1HB ALA 94 1HB ALA 94 -5.710 5.317 -4.150 707 2HB ALA 94 2HB ALA 94 -7.313 4.506 -4.008 708 3HB ALA 94 3HB ALA 94 -6.455 5.053 -2.527 709 H ALA 95 H ALA 95 -5.274 7.768 -4.622 710 HA ALA 95 HA ALA 95 -4.391 9.033 -2.268 711 1HB ALA 95 1HB ALA 95 -3.488 9.358 -5.181 712 2HB ALA 95 2HB ALA 95 -2.897 8.115 -4.026 713 3HB ALA 95 3HB ALA 95 -2.567 9.845 -3.691 714 H THR 96 H THR 96 -5.697 10.508 -5.312 715 HA THR 96 HA THR 96 -5.715 13.060 -4.296 716 HB THR 96 HB THR 96 -5.950 12.245 -6.656 717 HG1 THR 96 1HG THR 96 -6.420 14.237 -7.048 718 1HG2 THR 96 1HG2 THR 96 -8.976 12.391 -6.032 719 2HG2 THR 96 2HG2 THR 96 -8.045 10.886 -6.407 720 3HG2 THR 96 3HG2 THR 96 -8.202 12.186 -7.640 721 H GLN 97 H GLN 97 -7.893 10.541 -3.865 722 HA GLN 97 HA GLN 97 -10.032 11.883 -2.577 723 1HB GLN 97 2HB GLN 97 -10.253 9.612 -3.362 724 2HB GLN 97 1HB GLN 97 -8.878 9.082 -2.390 725 1HG GLN 97 2HG GLN 97 -10.810 8.172 -1.399 726 2HG GLN 97 1HG GLN 97 -10.260 9.384 -0.243 727 1HE2 GLN 97 1HE2 GLN 97 -12.440 9.048 -3.137 728 2HE2 GLN 97 2HE2 GLN 97 -13.674 10.128 -2.545 729 H GLN 98 H GLN 98 -7.547 9.896 -0.876 730 HA GLN 98 HA GLN 98 -8.202 11.259 1.521 731 1HB GLN 98 2HB GLN 98 -5.928 9.309 0.956 732 2HB GLN 98 1HB GLN 98 -6.434 9.925 2.568 733 1HG GLN 98 2HG GLN 98 -8.851 9.026 1.769 734 2HG GLN 98 1HG GLN 98 -7.845 7.960 0.719 735 1HE2 GLN 98 1HE2 GLN 98 -9.031 8.595 3.927 736 2HE2 GLN 98 2HE2 GLN 98 -8.119 7.393 4.790 737 H ALA 99 H ALA 99 -5.205 11.458 -0.489 738 HA ALA 99 HA ALA 99 -3.958 13.133 1.436 739 1HB ALA 99 1HB ALA 99 -2.130 13.268 -0.234 740 2HB ALA 99 2HB ALA 99 -3.193 12.525 -1.485 741 3HB ALA 99 3HB ALA 99 -2.684 11.569 -0.052 742 H GLY 100 H GLY 100 -5.757 13.577 -1.543 743 1HA GLY 100 2HA GLY 100 -7.071 15.364 -2.008 744 2HA GLY 100 1HA GLY 100 -6.212 16.332 -0.780 745 H GLU 101 H GLU 101 -4.582 14.593 -3.414 746 HA GLU 101 HA GLU 101 -4.064 17.131 -4.756 747 1HB GLU 101 2HB GLU 101 -1.797 15.307 -3.762 748 2HB GLU 101 1HB GLU 101 -1.645 16.835 -4.680 749 1HG GLU 101 2HG GLU 101 -2.733 18.001 -2.635 750 2HG GLU 101 1HG GLU 101 -2.511 16.422 -1.771 751 H THR 102 H THR 102 -2.674 16.798 -6.726 752 HA THR 102 HA THR 102 -3.508 14.418 -8.084 753 HB THR 102 HB THR 102 -1.562 16.443 -9.197 754 HG1 THR 102 1HG THR 102 -3.273 17.559 -8.657 755 1HG2 THR 102 1HG2 THR 102 -3.605 14.440 -10.415 756 2HG2 THR 102 2HG2 THR 102 -1.821 14.227 -10.435 757 3HG2 THR 102 3HG2 THR 102 -2.571 15.587 -11.334 758 H VAL 103 H VAL 103 -2.565 12.987 -6.590 759 HA VAL 103 HA VAL 103 0.284 12.471 -6.821 760 HB VAL 103 HB VAL 103 -1.941 10.966 -5.460 761 1HG1 VAL 103 1HG1 VAL 103 1.156 10.833 -5.184 762 2HG1 VAL 103 2HG1 VAL 103 0.112 9.545 -5.896 763 3HG1 VAL 103 3HG1 VAL 103 -0.008 9.937 -4.146 764 1HG2 VAL 103 1HG2 VAL 103 -1.765 13.205 -4.420 765 2HG2 VAL 103 2HG2 VAL 103 0.039 13.066 -4.345 766 3HG2 VAL 103 3HG2 VAL 103 -0.996 12.005 -3.331 767 H SER 104 H SER 104 0.612 11.907 -8.846 768 HA SER 104 HA SER 104 -0.645 9.461 -9.845 769 1HB SER 104 2HB SER 104 -1.986 11.443 -10.725 770 2HB SER 104 1HB SER 104 -0.535 11.920 -11.661 771 HG SER 104 HG SER 104 -2.354 10.279 -12.394 772 H PHE 105 H PHE 105 0.368 8.682 -11.795 773 HA PHE 105 HA PHE 105 3.221 9.398 -11.992 774 1HB PHE 105 2HB PHE 105 3.647 7.465 -10.981 775 2HB PHE 105 1HB PHE 105 2.003 6.862 -11.179 776 HD1 PHE 105 1HD PHE 105 1.339 5.824 -13.348 777 HD2 PHE 105 2HD PHE 105 5.378 6.589 -12.308 778 HE1 PHE 105 1HE PHE 105 2.071 4.197 -15.028 779 HE2 PHE 105 2HE PHE 105 6.123 4.947 -13.967 780 HZ PHE 105 HZ PHE 105 4.471 3.757 -15.342 781 H ARG 106 H ARG 106 0.224 9.316 -13.590 782 HA ARG 106 HA ARG 106 1.531 8.757 -16.150 783 1HB ARG 106 2HB ARG 106 -1.419 8.807 -15.396 784 2HB ARG 106 1HB ARG 106 -0.748 8.480 -17.026 785 1HG ARG 106 2HG ARG 106 0.558 6.532 -16.015 786 2HG ARG 106 1HG ARG 106 -0.358 6.769 -14.499 787 1HD ARG 106 2HD ARG 106 -1.634 6.140 -17.250 788 2HD ARG 106 1HD ARG 106 -1.259 4.921 -15.958 789 HE ARG 106 HE ARG 106 -2.797 7.015 -14.737 790 1HH1 ARG 106 1HH1 ARG 106 -3.243 4.200 -16.870 791 2HH1 ARG 106 2HH1 ARG 106 -4.958 4.222 -16.729 792 1HH2 ARG 106 1HH2 ARG 106 -5.025 7.236 -14.858 793 2HH2 ARG 106 2HH2 ARG 106 -6.025 5.935 -15.348 Start of MODEL 14 1 HA MET 1 HA MET 1 8.787 -20.611 -11.198 2 1HB MET 1 2HB MET 1 8.271 -19.375 -13.964 3 2HB MET 1 1HB MET 1 9.517 -18.811 -12.807 4 1HG MET 1 2HG MET 1 10.633 -21.054 -12.938 5 2HG MET 1 1HG MET 1 9.415 -21.576 -14.130 6 1HE MET 1 1HE MET 1 12.553 -19.539 -13.297 7 2HE MET 1 2HE MET 1 11.475 -18.132 -13.606 8 3HE MET 1 3HE MET 1 12.834 -18.480 -14.717 9 H ASN 2 H ASN 2 5.934 -20.547 -10.729 10 HA ASN 2 HA ASN 2 4.782 -18.051 -10.979 11 1HB ASN 2 2HB ASN 2 4.374 -20.372 -9.007 12 2HB ASN 2 1HB ASN 2 3.285 -18.944 -9.070 13 1HD2 ASN 2 1HD2 ASN 2 1.467 -19.271 -10.275 14 2HD2 ASN 2 2HD2 ASN 2 1.370 -20.211 -11.714 15 H ASP 3 H ASP 3 6.671 -19.363 -8.248 16 HA ASP 3 HA ASP 3 6.357 -17.204 -6.536 17 1HB ASP 3 2HB ASP 3 8.718 -19.155 -6.870 18 2HB ASP 3 1HB ASP 3 8.466 -18.065 -5.466 19 H SER 4 H SER 4 9.023 -17.971 -8.739 20 HA SER 4 HA SER 4 10.478 -15.661 -8.436 21 1HB SER 4 2HB SER 4 11.288 -17.758 -9.524 22 2HB SER 4 1HB SER 4 10.256 -17.399 -10.941 23 HG SER 4 HG SER 4 12.585 -16.104 -10.024 24 H GLU 5 H GLU 5 7.886 -16.316 -10.813 25 HA GLU 5 HA GLU 5 8.033 -13.972 -12.238 26 1HB GLU 5 2HB GLU 5 6.740 -16.016 -12.850 27 2HB GLU 5 1HB GLU 5 5.597 -15.691 -11.529 28 1HG GLU 5 2HG GLU 5 4.906 -13.538 -12.653 29 2HG GLU 5 1HG GLU 5 6.109 -13.846 -13.957 30 H PHE 6 H PHE 6 5.663 -14.586 -9.517 31 HA PHE 6 HA PHE 6 5.017 -11.905 -9.560 32 1HB PHE 6 2HB PHE 6 3.844 -14.153 -8.616 33 2HB PHE 6 1HB PHE 6 4.534 -13.590 -7.061 34 HD1 PHE 6 1HD PHE 6 2.782 -12.337 -10.115 35 HD2 PHE 6 2HD PHE 6 3.186 -12.041 -5.896 36 HE1 PHE 6 1HE PHE 6 0.975 -10.696 -10.068 37 HE2 PHE 6 2HE PHE 6 1.331 -10.427 -5.836 38 HZ PHE 6 HZ PHE 6 0.240 -9.742 -7.931 39 H HIS 7 H HIS 7 7.651 -13.444 -7.869 40 HA HIS 7 HA HIS 7 8.219 -11.364 -6.092 41 1HB HIS 7 2HB HIS 7 9.241 -13.446 -5.648 42 2HB HIS 7 1HB HIS 7 9.631 -13.708 -7.365 43 HD1 HIS 7 1HD HIS 7 10.982 -11.550 -4.512 44 HD2 HIS 7 2HD HIS 7 12.079 -13.252 -8.172 45 HE1 HIS 7 1HE HIS 7 13.455 -11.066 -4.831 46 H ARG 8 H ARG 8 9.346 -11.946 -9.449 47 HA ARG 8 HA ARG 8 10.965 -9.678 -9.605 48 1HB ARG 8 2HB ARG 8 9.447 -11.413 -11.607 49 2HB ARG 8 1HB ARG 8 10.413 -10.023 -12.168 50 1HG ARG 8 2HG ARG 8 11.628 -12.221 -10.413 51 2HG ARG 8 1HG ARG 8 11.506 -12.398 -12.179 52 1HD ARG 8 2HD ARG 8 12.917 -10.004 -10.817 53 2HD ARG 8 1HD ARG 8 13.756 -11.520 -11.363 54 HE ARG 8 HE ARG 8 12.373 -10.841 -13.635 55 1HH1 ARG 8 1HH1 ARG 8 14.538 -8.735 -11.706 56 2HH1 ARG 8 2HH1 ARG 8 15.416 -8.255 -13.102 57 1HH2 ARG 8 1HH2 ARG 8 13.326 -10.039 -15.336 58 2HH2 ARG 8 2HH2 ARG 8 14.723 -8.991 -15.254 59 H LEU 9 H LEU 9 7.539 -10.168 -10.591 60 HA LEU 9 HA LEU 9 7.066 -7.583 -11.409 61 1HB LEU 9 2HB LEU 9 5.273 -9.706 -10.129 62 2HB LEU 9 1HB LEU 9 4.643 -8.194 -10.847 63 HG LEU 9 HG LEU 9 6.270 -10.269 -12.416 64 1HD1 LEU 9 1HD1 LEU 9 4.146 -11.275 -11.627 65 2HD1 LEU 9 2HD1 LEU 9 4.083 -10.961 -13.401 66 3HD1 LEU 9 3HD1 LEU 9 3.215 -9.862 -12.265 67 1HD2 LEU 9 1HD2 LEU 9 6.351 -7.986 -13.436 68 2HD2 LEU 9 2HD2 LEU 9 4.557 -7.870 -13.336 69 3HD2 LEU 9 3HD2 LEU 9 5.325 -9.089 -14.416 70 H ALA 10 H ALA 10 6.870 -8.966 -8.132 71 HA ALA 10 HA ALA 10 5.809 -6.780 -6.860 72 1HB ALA 10 1HB ALA 10 6.749 -7.764 -4.770 73 2HB ALA 10 2HB ALA 10 7.753 -8.889 -5.753 74 3HB ALA 10 3HB ALA 10 5.963 -9.015 -5.788 75 H ASP 11 H ASP 11 9.302 -7.605 -7.219 76 HA ASP 11 HA ASP 11 10.244 -5.336 -5.952 77 1HB ASP 11 2HB ASP 11 11.253 -7.502 -7.751 78 2HB ASP 11 1HB ASP 11 12.183 -5.974 -7.939 79 H GLN 12 H GLN 12 9.388 -5.751 -9.371 80 HA GLN 12 HA GLN 12 10.219 -3.188 -10.148 81 1HB GLN 12 2HB GLN 12 8.134 -5.122 -11.272 82 2HB GLN 12 1HB GLN 12 8.575 -3.593 -12.086 83 1HG GLN 12 2HG GLN 12 10.533 -5.903 -11.477 84 2HG GLN 12 1HG GLN 12 9.773 -5.531 -13.064 85 1HE2 GLN 12 1HE2 GLN 12 12.620 -5.105 -11.351 86 2HE2 GLN 12 2HE2 GLN 12 13.192 -3.691 -12.203 87 H LEU 13 H LEU 13 6.852 -4.259 -9.168 88 HA LEU 13 HA LEU 13 5.946 -1.645 -9.499 89 1HB LEU 13 2HB LEU 13 3.923 -2.393 -8.594 90 2HB LEU 13 1HB LEU 13 4.511 -3.484 -9.900 91 HG LEU 13 HG LEU 13 5.332 -4.851 -7.644 92 1HD1 LEU 13 1HD1 LEU 13 4.206 -3.132 -6.125 93 2HD1 LEU 13 2HD1 LEU 13 3.471 -4.779 -5.973 94 3HD1 LEU 13 3HD1 LEU 13 2.637 -3.497 -6.928 95 1HD2 LEU 13 1HD2 LEU 13 2.520 -4.958 -8.932 96 2HD2 LEU 13 2HD2 LEU 13 3.318 -6.285 -8.003 97 3HD2 LEU 13 3HD2 LEU 13 4.000 -5.757 -9.583 98 H TRP 14 H TRP 14 6.979 -3.396 -6.593 99 HA TRP 14 HA TRP 14 6.535 -1.452 -4.707 100 1HB TRP 14 2HB TRP 14 9.008 -3.236 -5.039 101 2HB TRP 14 1HB TRP 14 8.690 -2.260 -3.586 102 HD1 TRP 14 HD TRP 14 9.353 -5.151 -3.308 103 HE1 TRP 14 1HE TRP 14 7.726 -6.838 -2.321 104 HE3 TRP 14 3HE TRP 14 4.988 -2.640 -4.133 105 HZ2 TRP 14 2HZ TRP 14 4.963 -6.921 -1.645 106 HZ3 TRP 14 3HZ TRP 14 2.926 -3.618 -3.382 107 HH2 TRP 14 HH TRP 14 2.886 -5.719 -2.120 108 H LEU 15 H LEU 15 9.425 -1.685 -6.826 109 HA LEU 15 HA LEU 15 10.611 0.624 -5.823 110 1HB LEU 15 2HB LEU 15 11.776 -1.124 -7.101 111 2HB LEU 15 1HB LEU 15 10.796 -0.762 -8.546 112 HG LEU 15 HG LEU 15 11.853 1.475 -8.734 113 1HD1 LEU 15 1HD1 LEU 15 13.855 2.057 -7.317 114 2HD1 LEU 15 2HD1 LEU 15 13.502 0.636 -6.258 115 3HD1 LEU 15 3HD1 LEU 15 12.342 2.015 -6.354 116 1HD2 LEU 15 1HD2 LEU 15 13.873 -0.831 -8.399 117 2HD2 LEU 15 2HD2 LEU 15 14.132 0.678 -9.366 118 3HD2 LEU 15 3HD2 LEU 15 12.863 -0.501 -9.866 119 H THR 16 H THR 16 8.471 0.186 -8.632 120 HA THR 16 HA THR 16 8.631 2.826 -9.470 121 HB THR 16 HB THR 16 6.337 0.933 -10.033 122 HG1 THR 16 1HG THR 16 8.169 -0.087 -10.634 123 1HG2 THR 16 1HG2 THR 16 6.027 3.365 -10.794 124 2HG2 THR 16 2HG2 THR 16 6.287 2.245 -12.177 125 3HG2 THR 16 3HG2 THR 16 7.636 3.286 -11.594 126 H ILE 17 H ILE 17 5.906 1.327 -7.598 127 HA ILE 17 HA ILE 17 4.592 3.641 -7.044 128 HB ILE 17 HB ILE 17 4.926 1.155 -5.370 129 1HG1 ILE 17 2HG1 ILE 17 2.636 2.019 -7.232 130 2HG1 ILE 17 1HG1 ILE 17 3.967 0.950 -7.765 131 1HG2 ILE 17 1HG2 ILE 17 4.094 3.022 -3.929 132 2HG2 ILE 17 2HG2 ILE 17 2.777 1.881 -4.288 133 3HG2 ILE 17 3HG2 ILE 17 2.863 3.447 -5.177 134 1HD1 ILE 17 1HD1 ILE 17 2.057 -0.432 -7.138 135 2HD1 ILE 17 2HD1 ILE 17 1.991 0.296 -5.491 136 3HD1 ILE 17 3HD1 ILE 17 3.404 -0.705 -5.977 137 H GLU 18 H GLU 18 7.316 2.284 -5.076 138 HA GLU 18 HA GLU 18 7.182 4.263 -3.152 139 1HB GLU 18 2HB GLU 18 8.578 2.131 -3.059 140 2HB GLU 18 1HB GLU 18 9.738 2.934 -4.143 141 1HG GLU 18 2HG GLU 18 9.753 4.875 -2.317 142 2HG GLU 18 1HG GLU 18 9.101 3.611 -1.230 143 H GLU 19 H GLU 19 9.138 4.113 -6.143 144 HA GLU 19 HA GLU 19 10.342 6.560 -5.934 145 1HB GLU 19 2HB GLU 19 10.780 4.698 -7.667 146 2HB GLU 19 1HB GLU 19 9.440 5.405 -8.601 147 1HG GLU 19 2HG GLU 19 10.932 7.690 -8.097 148 2HG GLU 19 1HG GLU 19 12.234 6.476 -7.964 149 H ARG 20 H ARG 20 7.085 5.891 -7.332 150 HA ARG 20 HA ARG 20 6.617 8.514 -8.110 151 1HB ARG 20 2HB ARG 20 5.102 6.798 -8.808 152 2HB ARG 20 1HB ARG 20 4.625 6.455 -7.123 153 1HG ARG 20 2HG ARG 20 2.902 7.788 -8.309 154 2HG ARG 20 1HG ARG 20 3.559 8.663 -6.907 155 1HD ARG 20 2HD ARG 20 5.108 9.935 -8.616 156 2HD ARG 20 1HD ARG 20 4.128 9.152 -9.896 157 HE ARG 20 HE ARG 20 2.478 10.713 -9.455 158 1HH1 ARG 20 1HH1 ARG 20 4.611 10.754 -6.497 159 2HH1 ARG 20 2HH1 ARG 20 3.934 12.259 -6.019 160 1HH2 ARG 20 1HH2 ARG 20 1.975 12.930 -8.702 161 2HH2 ARG 20 2HH2 ARG 20 2.590 13.349 -7.148 162 H LEU 21 H LEU 21 5.926 7.017 -4.881 163 HA LEU 21 HA LEU 21 4.870 9.489 -3.946 164 1HB LEU 21 2HB LEU 21 5.583 6.821 -2.700 165 2HB LEU 21 1HB LEU 21 5.249 8.218 -1.643 166 HG LEU 21 HG LEU 21 3.323 6.846 -1.843 167 1HD1 LEU 21 1HD1 LEU 21 3.056 9.322 -1.505 168 2HD1 LEU 21 2HD1 LEU 21 1.635 8.570 -2.316 169 3HD1 LEU 21 3HD1 LEU 21 2.812 9.529 -3.275 170 1HD2 LEU 21 1HD2 LEU 21 3.177 7.484 -4.850 171 2HD2 LEU 21 2HD2 LEU 21 1.952 6.606 -3.855 172 3HD2 LEU 21 3HD2 LEU 21 3.589 5.881 -4.115 173 H ASP 22 H ASP 22 8.010 7.875 -3.353 174 HA ASP 22 HA ASP 22 8.850 9.800 -1.538 175 1HB ASP 22 2HB ASP 22 9.431 7.352 -1.723 176 2HB ASP 22 1HB ASP 22 10.507 7.742 -3.103 177 H ASP 23 H ASP 23 9.707 9.276 -5.001 178 HA ASP 23 HA ASP 23 11.678 11.338 -4.875 179 1HB ASP 23 2HB ASP 23 11.922 9.095 -6.045 180 2HB ASP 23 1HB ASP 23 10.749 9.685 -7.271 181 H TRP 24 H TRP 24 8.417 11.003 -6.381 182 HA TRP 24 HA TRP 24 8.718 13.718 -7.386 183 1HB TRP 24 2HB TRP 24 7.382 11.874 -8.702 184 2HB TRP 24 1HB TRP 24 6.161 12.140 -7.445 185 HD1 TRP 24 HD TRP 24 7.137 15.599 -7.827 186 HE1 TRP 24 1HE TRP 24 5.872 16.759 -9.724 187 HE3 TRP 24 3HE TRP 24 5.400 11.495 -10.263 188 HZ2 TRP 24 2HZ TRP 24 4.147 16.029 -11.828 189 HZ3 TRP 24 3HZ TRP 24 3.937 11.797 -12.199 190 HH2 TRP 24 HH TRP 24 3.328 14.025 -12.977 191 H ASP 25 H ASP 25 8.616 15.230 -5.956 192 HA ASP 25 HA ASP 25 7.629 14.642 -3.375 193 1HB ASP 25 2HB ASP 25 9.776 15.911 -4.341 194 2HB ASP 25 1HB ASP 25 8.742 17.364 -4.184 195 H GLY 26 H GLY 26 6.877 17.022 -2.300 196 1HA GLY 26 2HA GLY 26 4.524 18.029 -3.571 197 2HA GLY 26 1HA GLY 26 4.204 16.746 -2.339 198 H ASP 27 H ASP 27 2.959 18.731 -1.544 199 HA ASP 27 HA ASP 27 4.582 20.664 -0.175 200 1HB ASP 27 2HB ASP 27 2.167 20.878 -1.349 201 2HB ASP 27 1HB ASP 27 1.565 20.305 0.240 202 H SER 28 H SER 28 2.640 17.813 0.555 203 HA SER 28 HA SER 28 3.193 17.973 3.385 204 1HB SER 28 2HB SER 28 1.815 15.874 1.633 205 2HB SER 28 1HB SER 28 2.154 15.595 3.371 206 HG SER 28 HG SER 28 0.627 17.756 2.371 207 H ASP 29 H ASP 29 4.245 16.245 4.552 208 HA ASP 29 HA ASP 29 6.653 15.410 3.334 209 1HB ASP 29 2HB ASP 29 5.969 16.210 5.803 210 2HB ASP 29 1HB ASP 29 5.683 14.460 6.069 211 H ILE 30 H ILE 30 7.259 12.927 4.127 212 HA ILE 30 HA ILE 30 5.310 11.116 3.216 213 HB ILE 30 HB ILE 30 5.657 12.223 1.120 214 1HG1 ILE 30 2HG1 ILE 30 6.334 10.286 -0.279 215 2HG1 ILE 30 1HG1 ILE 30 6.801 9.380 1.179 216 1HG2 ILE 30 1HG2 ILE 30 8.611 11.382 1.258 217 2HG2 ILE 30 2HG2 ILE 30 7.989 13.062 1.478 218 3HG2 ILE 30 3HG2 ILE 30 7.767 12.207 -0.088 219 1HD1 ILE 30 1HD1 ILE 30 4.413 9.511 2.014 220 2HD1 ILE 30 2HD1 ILE 30 4.467 8.812 0.361 221 3HD1 ILE 30 3HD1 ILE 30 3.979 10.527 0.587 222 H ASP 31 H ASP 31 5.671 9.501 4.407 223 HA ASP 31 HA ASP 31 8.377 8.304 4.376 224 1HB ASP 31 2HB ASP 31 6.253 8.182 6.601 225 2HB ASP 31 1HB ASP 31 7.787 7.236 6.580 226 H CYS 32 H CYS 32 7.976 6.809 2.550 227 HA CYS 32 HA CYS 32 5.862 4.917 3.097 228 1HB CYS 32 2HB CYS 32 7.924 4.983 0.838 229 2HB CYS 32 1HB CYS 32 6.469 3.952 0.989 230 HG CYS 32 HG CYS 32 6.849 7.207 0.650 231 H GLU 33 H GLU 33 6.152 3.067 4.160 232 HA GLU 33 HA GLU 33 8.799 2.478 5.190 233 1HB GLU 33 2HB GLU 33 6.001 2.012 5.965 234 2HB GLU 33 1HB GLU 33 6.970 0.565 6.214 235 1HG GLU 33 2HG GLU 33 7.985 3.272 7.266 236 2HG GLU 33 1HG GLU 33 6.695 2.385 8.133 237 H ILE 34 H ILE 34 10.001 0.786 4.660 238 HA ILE 34 HA ILE 34 9.036 -1.027 2.596 239 HB ILE 34 HB ILE 34 11.912 -0.754 3.369 240 1HG1 ILE 34 2HG1 ILE 34 11.367 1.578 3.020 241 2HG1 ILE 34 1HG1 ILE 34 12.382 0.909 1.723 242 1HG2 ILE 34 1HG2 ILE 34 11.141 -2.619 1.903 243 2HG2 ILE 34 2HG2 ILE 34 12.208 -1.481 1.013 244 3HG2 ILE 34 3HG2 ILE 34 10.429 -1.432 0.748 245 1HD1 ILE 34 1HD1 ILE 34 10.671 2.462 0.815 246 2HD1 ILE 34 2HD1 ILE 34 9.350 1.452 1.480 247 3HD1 ILE 34 3HD1 ILE 34 10.422 0.808 0.175 248 H ASN 35 H ASN 35 8.234 -2.632 3.620 249 HA ASN 35 HA ASN 35 9.861 -3.978 5.692 250 1HB ASN 35 2HB ASN 35 7.817 -2.511 6.426 251 2HB ASN 35 1HB ASN 35 6.804 -3.877 5.901 252 1HD2 ASN 35 1HD2 ASN 35 7.938 -6.134 6.813 253 2HD2 ASN 35 2HD2 ASN 35 8.428 -6.054 8.493 254 H GLY 36 H GLY 36 10.488 -4.979 3.566 255 1HA GLY 36 2HA GLY 36 10.486 -6.691 2.158 256 2HA GLY 36 1HA GLY 36 10.430 -7.481 3.767 257 H GLY 37 H GLY 37 8.255 -6.326 1.162 258 1HA GLY 37 2HA GLY 37 6.810 -7.890 0.110 259 2HA GLY 37 1HA GLY 37 6.527 -8.658 1.712 260 H VAL 38 H VAL 38 6.598 -5.885 2.925 261 HA VAL 38 HA VAL 38 3.915 -4.994 2.114 262 HB VAL 38 HB VAL 38 5.471 -4.732 4.701 263 1HG1 VAL 38 1HG1 VAL 38 2.735 -3.534 3.885 264 2HG1 VAL 38 2HG1 VAL 38 4.207 -2.617 4.396 265 3HG1 VAL 38 3HG1 VAL 38 3.343 -3.650 5.574 266 1HG2 VAL 38 1HG2 VAL 38 4.336 -6.985 4.259 267 2HG2 VAL 38 2HG2 VAL 38 2.779 -6.090 4.100 268 3HG2 VAL 38 3HG2 VAL 38 3.657 -6.074 5.665 269 H LEU 39 H LEU 39 3.732 -2.924 1.233 270 HA LEU 39 HA LEU 39 5.724 -1.019 2.170 271 1HB LEU 39 2HB LEU 39 4.200 -1.138 -0.468 272 2HB LEU 39 1HB LEU 39 4.869 0.405 0.132 273 HG LEU 39 HG LEU 39 6.610 -2.049 -0.425 274 1HD1 LEU 39 1HD1 LEU 39 7.404 -0.673 -2.429 275 2HD1 LEU 39 2HD1 LEU 39 6.119 0.536 -2.085 276 3HD1 LEU 39 3HD1 LEU 39 5.672 -1.149 -2.582 277 1HD2 LEU 39 1HD2 LEU 39 7.626 -0.540 1.236 278 2HD2 LEU 39 2HD2 LEU 39 7.330 0.893 0.177 279 3HD2 LEU 39 3HD2 LEU 39 8.492 -0.384 -0.339 280 H THR 40 H THR 40 4.905 0.453 3.466 281 HA THR 40 HA THR 40 2.023 1.001 3.263 282 HB THR 40 HB THR 40 2.405 1.702 5.752 283 HG1 THR 40 1HG THR 40 3.780 -0.149 6.566 284 1HG2 THR 40 1HG2 THR 40 1.706 -0.625 6.451 285 2HG2 THR 40 2HG2 THR 40 2.188 -1.252 4.826 286 3HG2 THR 40 3HG2 THR 40 0.826 -0.076 4.988 287 H ILE 41 H ILE 41 1.574 2.900 2.599 288 HA ILE 41 HA ILE 41 3.747 4.860 2.462 289 HB ILE 41 HB ILE 41 1.067 4.597 1.115 290 1HG1 ILE 41 2HG1 ILE 41 3.870 4.405 -0.098 291 2HG1 ILE 41 1HG1 ILE 41 2.942 2.985 0.449 292 1HG2 ILE 41 1HG2 ILE 41 3.218 6.785 0.759 293 2HG2 ILE 41 2HG2 ILE 41 1.549 7.020 1.401 294 3HG2 ILE 41 3HG2 ILE 41 1.780 6.547 -0.297 295 1HD1 ILE 41 1HD1 ILE 41 2.031 4.945 -1.751 296 2HD1 ILE 41 2HD1 ILE 41 1.073 3.551 -1.130 297 3HD1 ILE 41 3HD1 ILE 41 2.641 3.268 -1.968 298 H THR 42 H THR 42 3.783 6.581 3.777 299 HA THR 42 HA THR 42 1.202 7.485 4.840 300 HB THR 42 HB THR 42 2.060 8.129 6.949 301 HG1 THR 42 1HG THR 42 4.422 6.944 5.976 302 1HG2 THR 42 1HG2 THR 42 2.178 5.917 7.956 303 2HG2 THR 42 2HG2 THR 42 2.598 5.142 6.387 304 3HG2 THR 42 3HG2 THR 42 0.963 5.875 6.630 305 H PHE 43 H PHE 43 0.663 9.443 4.331 306 HA PHE 43 HA PHE 43 2.742 11.471 4.417 307 1HB PHE 43 2HB PHE 43 1.346 12.811 2.745 308 2HB PHE 43 1HB PHE 43 2.300 11.441 2.125 309 HD1 PHE 43 1HD PHE 43 -1.163 12.115 3.445 310 HD2 PHE 43 2HD PHE 43 1.295 10.071 0.639 311 HE1 PHE 43 1HE PHE 43 -3.146 11.264 2.341 312 HE2 PHE 43 2HE PHE 43 -0.704 9.232 -0.492 313 HZ PHE 43 HZ PHE 43 -2.934 9.862 0.328 314 H GLU 44 H GLU 44 1.725 13.679 4.924 315 HA GLU 44 HA GLU 44 0.974 13.580 7.433 316 1HB GLU 44 2HB GLU 44 0.615 15.764 5.348 317 2HB GLU 44 1HB GLU 44 0.396 16.001 7.103 318 1HG GLU 44 2HG GLU 44 2.765 15.112 7.485 319 2HG GLU 44 1HG GLU 44 3.007 15.144 5.702 320 H ASN 45 H ASN 45 -1.418 13.886 4.757 321 HA ASN 45 HA ASN 45 -3.535 14.443 6.480 322 1HB ASN 45 2HB ASN 45 -3.427 13.250 3.662 323 2HB ASN 45 1HB ASN 45 -4.974 13.664 4.498 324 1HD2 ASN 45 1HD2 ASN 45 -4.740 14.961 2.216 325 2HD2 ASN 45 2HD2 ASN 45 -4.308 16.615 2.499 326 H GLY 46 H GLY 46 -1.854 11.569 6.470 327 1HA GLY 46 2HA GLY 46 -2.138 9.906 7.854 328 2HA GLY 46 1HA GLY 46 -3.566 10.780 8.492 329 H SER 47 H SER 47 -3.590 9.832 5.199 330 HA SER 47 HA SER 47 -5.893 8.292 5.566 331 1HB SER 47 2HB SER 47 -4.107 8.610 3.095 332 2HB SER 47 1HB SER 47 -5.774 7.916 3.106 333 HG SER 47 HG SER 47 -5.474 10.312 2.675 334 H LYS 48 H LYS 48 -2.616 7.343 4.651 335 HA LYS 48 HA LYS 48 -1.438 5.587 5.039 336 1HB LYS 48 2HB LYS 48 -3.650 4.465 6.773 337 2HB LYS 48 1HB LYS 48 -1.965 3.886 6.700 338 1HG LYS 48 2HG LYS 48 -1.153 6.107 7.553 339 2HG LYS 48 1HG LYS 48 -2.852 6.688 7.604 340 1HD LYS 48 2HD LYS 48 -3.404 4.740 9.138 341 2HD LYS 48 1HD LYS 48 -1.653 4.368 9.218 342 1HE LYS 48 2HE LYS 48 -1.254 6.716 10.152 343 2HE LYS 48 1HE LYS 48 -3.046 6.982 10.146 344 1HZ LYS 48 1HZ LYS 48 -1.513 4.924 11.642 345 2HZ LYS 48 2HZ LYS 48 -3.201 4.961 11.563 346 3HZ LYS 48 3HZ LYS 48 -2.342 6.241 12.293 347 H ILE 49 H ILE 49 -0.927 4.457 3.300 348 HA ILE 49 HA ILE 49 -3.042 2.807 2.106 349 HB ILE 49 HB ILE 49 -0.389 3.214 0.805 350 1HG1 ILE 49 2HG1 ILE 49 -0.865 5.473 1.422 351 2HG1 ILE 49 1HG1 ILE 49 -1.133 5.221 -0.321 352 1HG2 ILE 49 1HG2 ILE 49 -1.810 3.043 -1.223 353 2HG2 ILE 49 2HG2 ILE 49 -3.287 2.905 -0.199 354 3HG2 ILE 49 3HG2 ILE 49 -2.033 1.618 -0.149 355 1HD1 ILE 49 1HD1 ILE 49 -3.363 5.544 1.804 356 2HD1 ILE 49 2HD1 ILE 49 -3.640 5.094 0.091 357 3HD1 ILE 49 3HD1 ILE 49 -2.896 6.684 0.493 358 H ILE 50 H ILE 50 -2.827 0.606 1.987 359 HA ILE 50 HA ILE 50 -0.552 -0.542 3.476 360 HB ILE 50 HB ILE 50 -3.360 -1.534 3.340 361 1HG1 ILE 50 2HG1 ILE 50 -3.519 0.705 4.399 362 2HG1 ILE 50 1HG1 ILE 50 -3.925 -0.655 5.457 363 1HG2 ILE 50 1HG2 ILE 50 -2.759 -2.799 5.378 364 2HG2 ILE 50 2HG2 ILE 50 -1.060 -2.195 5.274 365 3HG2 ILE 50 3HG2 ILE 50 -1.740 -3.253 3.971 366 1HD1 ILE 50 1HD1 ILE 50 -2.590 1.105 6.654 367 2HD1 ILE 50 2HD1 ILE 50 -1.221 0.849 5.516 368 3HD1 ILE 50 3HD1 ILE 50 -1.727 -0.468 6.642 369 H ILE 51 H ILE 51 0.636 -1.521 1.892 370 HA ILE 51 HA ILE 51 -0.817 -3.177 -0.074 371 HB ILE 51 HB ILE 51 1.709 -1.620 -0.588 372 1HG1 ILE 51 2HG1 ILE 51 -1.263 -0.978 -0.796 373 2HG1 ILE 51 1HG1 ILE 51 0.007 -0.013 -0.067 374 1HG2 ILE 51 1HG2 ILE 51 1.154 -2.200 -2.954 375 2HG2 ILE 51 2HG2 ILE 51 -0.384 -2.963 -2.440 376 3HG2 ILE 51 3HG2 ILE 51 1.192 -3.721 -2.005 377 1HD1 ILE 51 1HD1 ILE 51 -0.757 0.987 -2.244 378 2HD1 ILE 51 2HD1 ILE 51 -0.387 -0.547 -3.102 379 3HD1 ILE 51 3HD1 ILE 51 0.956 0.454 -2.414 380 H ASN 52 H ASN 52 -0.253 -5.179 -0.331 381 HA ASN 52 HA ASN 52 2.193 -6.284 0.630 382 1HB ASN 52 2HB ASN 52 0.993 -5.793 2.757 383 2HB ASN 52 1HB ASN 52 -0.428 -6.737 2.206 384 1HD2 ASN 52 1HD2 ASN 52 0.036 -7.578 4.420 385 2HD2 ASN 52 2HD2 ASN 52 1.135 -8.930 4.570 386 H ARG 53 H ARG 53 1.831 -8.754 0.563 387 HA ARG 53 HA ARG 53 0.152 -9.462 -1.748 388 1HB ARG 53 2HB ARG 53 1.858 -8.221 -2.803 389 2HB ARG 53 1HB ARG 53 3.021 -8.695 -1.579 390 1HG ARG 53 2HG ARG 53 2.273 -11.087 -3.186 391 2HG ARG 53 1HG ARG 53 2.721 -9.709 -4.219 392 1HD ARG 53 2HD ARG 53 4.720 -11.132 -3.682 393 2HD ARG 53 1HD ARG 53 4.892 -9.426 -3.115 394 HE ARG 53 HE ARG 53 3.739 -10.920 -0.951 395 1HH1 ARG 53 1HH1 ARG 53 6.884 -11.108 -2.676 396 2HH1 ARG 53 2HH1 ARG 53 7.762 -10.878 -1.212 397 1HH2 ARG 53 1HH2 ARG 53 5.124 -10.974 0.981 398 2HH2 ARG 53 2HH2 ARG 53 6.844 -11.109 0.688 399 H GLN 54 H GLN 54 -0.308 -11.534 -1.963 400 HA GLN 54 HA GLN 54 1.221 -13.546 -0.493 401 1HB GLN 54 2HB GLN 54 -1.523 -13.452 -1.872 402 2HB GLN 54 1HB GLN 54 -0.740 -14.975 -1.366 403 1HG GLN 54 2HG GLN 54 -1.657 -12.677 0.467 404 2HG GLN 54 1HG GLN 54 -2.378 -14.320 0.334 405 1HE2 GLN 54 1HE2 GLN 54 -0.504 -12.484 2.307 406 2HE2 GLN 54 2HE2 GLN 54 0.600 -13.684 2.944 407 H GLU 55 H GLU 55 2.940 -14.151 -1.648 408 HA GLU 55 HA GLU 55 3.126 -13.423 -4.273 409 1HB GLU 55 2HB GLU 55 4.866 -13.481 -2.516 410 2HB GLU 55 1HB GLU 55 5.120 -15.210 -2.857 411 1HG GLU 55 2HG GLU 55 5.957 -14.733 -5.099 412 2HG GLU 55 1HG GLU 55 5.228 -13.087 -5.081 413 HA PRO 56 HA PRO 56 3.138 -17.617 -6.033 414 1HB PRO 56 2HB PRO 56 1.511 -19.300 -4.070 415 2HB PRO 56 1HB PRO 56 2.874 -19.816 -5.140 416 1HG PRO 56 2HG PRO 56 3.329 -19.398 -2.473 417 2HG PRO 56 1HG PRO 56 4.498 -18.715 -3.686 418 1HD PRO 56 2HD PRO 56 2.137 -17.249 -2.343 419 2HD PRO 56 1HD PRO 56 3.879 -16.739 -2.453 420 H LEU 57 H LEU 57 0.294 -16.407 -4.392 421 HA LEU 57 HA LEU 57 -1.576 -17.748 -5.997 422 1HB LEU 57 2HB LEU 57 -2.051 -15.124 -4.522 423 2HB LEU 57 1HB LEU 57 -3.274 -16.331 -5.049 424 HG LEU 57 HG LEU 57 -1.026 -16.709 -3.055 425 1HD1 LEU 57 1HD1 LEU 57 -2.840 -16.711 -1.291 426 2HD1 LEU 57 2HD1 LEU 57 -4.102 -16.596 -2.571 427 3HD1 LEU 57 3HD1 LEU 57 -2.992 -15.211 -2.292 428 1HD2 LEU 57 1HD2 LEU 57 -3.284 -18.688 -3.797 429 2HD2 LEU 57 2HD2 LEU 57 -2.200 -18.874 -2.374 430 3HD2 LEU 57 3HD2 LEU 57 -1.509 -18.928 -4.029 431 H HIS 58 H HIS 58 0.245 -14.953 -6.234 432 HA HIS 58 HA HIS 58 0.788 -13.554 -7.870 433 1HB HIS 58 2HB HIS 58 -1.355 -14.749 -9.656 434 2HB HIS 58 1HB HIS 58 -0.235 -13.435 -10.110 435 HD1 HIS 58 1HD HIS 58 0.237 -15.169 -11.993 436 HD2 HIS 58 2HD HIS 58 1.941 -16.010 -8.255 437 HE1 HIS 58 1HE HIS 58 2.288 -16.623 -12.405 438 H GLN 59 H GLN 59 -1.185 -12.905 -5.703 439 HA GLN 59 HA GLN 59 -2.505 -10.681 -7.090 440 1HB GLN 59 2HB GLN 59 -3.421 -12.384 -4.720 441 2HB GLN 59 1HB GLN 59 -4.027 -10.727 -5.020 442 1HG GLN 59 2HG GLN 59 -4.709 -11.435 -7.348 443 2HG GLN 59 1HG GLN 59 -4.358 -13.138 -6.908 444 1HE2 GLN 59 1HE2 GLN 59 -6.884 -11.806 -7.698 445 2HE2 GLN 59 2HE2 GLN 59 -8.027 -12.261 -6.476 446 H VAL 60 H VAL 60 -1.911 -8.760 -6.494 447 HA VAL 60 HA VAL 60 -0.500 -8.361 -3.955 448 HB VAL 60 HB VAL 60 -1.326 -6.245 -5.956 449 1HG1 VAL 60 1HG1 VAL 60 0.654 -5.043 -4.915 450 2HG1 VAL 60 2HG1 VAL 60 0.834 -6.385 -3.738 451 3HG1 VAL 60 3HG1 VAL 60 -0.645 -5.349 -3.718 452 1HG2 VAL 60 1HG2 VAL 60 1.243 -7.944 -5.869 453 2HG2 VAL 60 2HG2 VAL 60 1.101 -6.376 -6.731 454 3HG2 VAL 60 3HG2 VAL 60 0.082 -7.760 -7.254 455 H TRP 61 H TRP 61 -1.549 -6.995 -2.287 456 HA TRP 61 HA TRP 61 -4.373 -6.439 -2.796 457 1HB TRP 61 2HB TRP 61 -4.930 -7.429 -0.921 458 2HB TRP 61 1HB TRP 61 -3.264 -8.056 -0.783 459 HD1 TRP 61 HD TRP 61 -1.618 -6.062 0.420 460 HE1 TRP 61 1HE TRP 61 -2.352 -4.169 2.083 461 HE3 TRP 61 3HE TRP 61 -6.552 -6.948 0.769 462 HZ2 TRP 61 2HZ TRP 61 -4.358 -4.098 4.186 463 HZ3 TRP 61 3HZ TRP 61 -7.811 -6.053 2.650 464 HH2 TRP 61 HH TRP 61 -6.726 -4.675 4.356 465 H LEU 62 H LEU 62 -5.101 -4.341 -2.284 466 HA LEU 62 HA LEU 62 -3.131 -2.548 -1.223 467 1HB LEU 62 2HB LEU 62 -3.223 -0.858 -2.779 468 2HB LEU 62 1HB LEU 62 -2.854 -2.362 -3.674 469 HG LEU 62 HG LEU 62 -5.652 -1.110 -3.596 470 1HD1 LEU 62 1HD1 LEU 62 -3.480 -0.662 -5.731 471 2HD1 LEU 62 2HD1 LEU 62 -4.085 0.568 -4.562 472 3HD1 LEU 62 3HD1 LEU 62 -5.184 -0.099 -5.801 473 1HD2 LEU 62 1HD2 LEU 62 -4.340 -3.189 -5.446 474 2HD2 LEU 62 2HD2 LEU 62 -5.993 -2.474 -5.663 475 3HD2 LEU 62 3HD2 LEU 62 -5.621 -3.470 -4.202 476 H ALA 63 H ALA 63 -4.024 -1.976 0.555 477 HA ALA 63 HA ALA 63 -6.836 -1.153 0.466 478 1HB ALA 63 1HB ALA 63 -5.246 -1.781 2.981 479 2HB ALA 63 2HB ALA 63 -6.477 -2.817 2.175 480 3HB ALA 63 3HB ALA 63 -6.965 -1.246 2.889 481 H THR 64 H THR 64 -7.550 0.644 1.376 482 HA THR 64 HA THR 64 -5.920 2.944 0.612 483 HB THR 64 HB THR 64 -7.520 3.382 -1.282 484 HG1 THR 64 1HG THR 64 -8.717 1.536 -1.936 485 1HG2 THR 64 1HG2 THR 64 -6.171 0.637 -1.578 486 2HG2 THR 64 2HG2 THR 64 -5.306 2.218 -1.676 487 3HG2 THR 64 3HG2 THR 64 -6.606 1.812 -2.861 488 H LYS 65 H LYS 65 -7.959 4.704 0.043 489 HA LYS 65 HA LYS 65 -9.311 5.103 2.435 490 1HB LYS 65 2HB LYS 65 -9.004 6.427 -0.139 491 2HB LYS 65 1HB LYS 65 -10.696 6.548 0.399 492 1HG LYS 65 2HG LYS 65 -8.257 7.308 2.102 493 2HG LYS 65 1HG LYS 65 -9.279 8.451 1.173 494 1HD LYS 65 2HD LYS 65 -11.281 7.767 2.518 495 2HD LYS 65 1HD LYS 65 -10.257 6.635 3.450 496 1HE LYS 65 2HE LYS 65 -8.808 8.677 4.147 497 2HE LYS 65 1HE LYS 65 -10.117 9.721 3.457 498 1HZ LYS 65 1HZ LYS 65 -10.357 7.684 5.619 499 2HZ LYS 65 2HZ LYS 65 -11.675 8.475 4.943 500 3HZ LYS 65 3HZ LYS 65 -10.483 9.357 5.779 501 H GLN 66 H GLN 66 -10.501 3.544 -0.618 502 HA GLN 66 HA GLN 66 -13.158 3.674 0.282 503 1HB GLN 66 2HB GLN 66 -11.793 2.090 -1.961 504 2HB GLN 66 1HB GLN 66 -13.544 2.235 -1.717 505 1HG GLN 66 2HG GLN 66 -13.243 3.802 -3.347 506 2HG GLN 66 1HG GLN 66 -13.189 4.843 -1.886 507 1HE2 GLN 66 1HE2 GLN 66 -12.186 5.916 -4.152 508 2HE2 GLN 66 2HE2 GLN 66 -10.450 5.921 -4.134 509 H GLY 67 H GLY 67 -10.685 1.167 0.603 510 1HA GLY 67 2HA GLY 67 -11.823 -0.077 2.686 511 2HA GLY 67 1HA GLY 67 -12.639 -0.836 1.269 512 H GLY 68 H GLY 68 -10.575 -1.042 -0.524 513 1HA GLY 68 2HA GLY 68 -8.407 -1.865 -0.576 514 2HA GLY 68 1HA GLY 68 -8.721 -2.882 0.875 515 H TYR 69 H TYR 69 -8.029 -3.073 -2.225 516 HA TYR 69 HA TYR 69 -9.751 -5.390 -2.773 517 1HB TYR 69 2HB TYR 69 -8.584 -3.291 -4.686 518 2HB TYR 69 1HB TYR 69 -9.465 -4.766 -5.216 519 HD1 TYR 69 1HD TYR 69 -10.033 -2.095 -6.045 520 HD2 TYR 69 2HD TYR 69 -11.644 -4.266 -2.764 521 HE1 TYR 69 1HE TYR 69 -12.076 -0.745 -6.152 522 HE2 TYR 69 2HE TYR 69 -13.654 -2.918 -2.852 523 HH TYR 69 HH TYR 69 -14.015 -0.225 -5.116 524 H HIS 70 H HIS 70 -8.644 -6.854 -4.479 525 HA HIS 70 HA HIS 70 -5.762 -6.640 -4.308 526 1HB HIS 70 2HB HIS 70 -5.764 -9.231 -4.462 527 2HB HIS 70 1HB HIS 70 -6.018 -8.424 -2.885 528 HD1 HIS 70 1HD HIS 70 -8.179 -10.112 -5.638 529 HD2 HIS 70 2HD HIS 70 -8.341 -9.167 -1.533 530 HE1 HIS 70 1HE HIS 70 -10.303 -10.991 -4.786 531 H PHE 71 H PHE 71 -4.714 -7.871 -6.099 532 HA PHE 71 HA PHE 71 -5.927 -6.576 -8.436 533 1HB PHE 71 2HB PHE 71 -4.802 -5.108 -6.843 534 2HB PHE 71 1HB PHE 71 -3.466 -6.251 -6.640 535 HD1 PHE 71 1HD PHE 71 -4.845 -3.583 -8.703 536 HD2 PHE 71 2HD PHE 71 -1.646 -6.314 -8.129 537 HE1 PHE 71 1HE PHE 71 -3.368 -2.132 -10.013 538 HE2 PHE 71 2HE PHE 71 -0.166 -4.878 -9.450 539 HZ PHE 71 HZ PHE 71 -1.029 -2.797 -10.417 540 H ASP 72 H ASP 72 -5.721 -7.710 -10.300 541 HA ASP 72 HA ASP 72 -3.499 -9.591 -10.553 542 1HB ASP 72 2HB ASP 72 -6.381 -9.975 -11.535 543 2HB ASP 72 1HB ASP 72 -5.018 -11.067 -11.921 544 H LEU 73 H LEU 73 -2.735 -9.950 -12.562 545 HA LEU 73 HA LEU 73 -2.936 -7.771 -14.481 546 1HB LEU 73 2HB LEU 73 -0.806 -8.666 -13.652 547 2HB LEU 73 1HB LEU 73 -1.193 -10.270 -14.311 548 HG LEU 73 HG LEU 73 0.473 -8.821 -15.531 549 1HD1 LEU 73 1HD1 LEU 73 -0.120 -9.521 -17.776 550 2HD1 LEU 73 2HD1 LEU 73 -1.840 -9.759 -17.323 551 3HD1 LEU 73 3HD1 LEU 73 -0.569 -10.817 -16.600 552 1HD2 LEU 73 1HD2 LEU 73 -1.965 -7.241 -16.561 553 2HD2 LEU 73 2HD2 LEU 73 -0.256 -7.092 -17.101 554 3HD2 LEU 73 3HD2 LEU 73 -0.701 -6.635 -15.417 555 H LYS 74 H LYS 74 -4.526 -7.728 -15.934 556 HA LYS 74 HA LYS 74 -5.478 -10.189 -17.074 557 1HB LYS 74 2HB LYS 74 -6.996 -8.442 -16.307 558 2HB LYS 74 1HB LYS 74 -6.268 -7.252 -17.430 559 1HG LYS 74 2HG LYS 74 -7.019 -8.548 -19.347 560 2HG LYS 74 1HG LYS 74 -7.510 -9.932 -18.311 561 1HD LYS 74 2HD LYS 74 -9.195 -8.369 -17.168 562 2HD LYS 74 1HD LYS 74 -8.894 -7.194 -18.492 563 1HE LYS 74 2HE LYS 74 -9.650 -8.948 -20.170 564 2HE LYS 74 1HE LYS 74 -9.861 -10.118 -18.816 565 1HZ LYS 74 1HZ LYS 74 -11.535 -7.766 -19.486 566 2HZ LYS 74 2HZ LYS 74 -11.497 -8.326 -17.902 567 3HZ LYS 74 3HZ LYS 74 -11.926 -9.348 -19.165 568 H GLY 75 H GLY 75 -3.905 -7.147 -18.225 569 1HA GLY 75 2HA GLY 75 -2.300 -8.692 -19.997 570 2HA GLY 75 1HA GLY 75 -3.618 -7.797 -20.839 571 H ASP 76 H ASP 76 -3.643 -5.419 -20.550 572 HA ASP 76 HA ASP 76 -0.899 -4.427 -20.658 573 1HB ASP 76 2HB ASP 76 -3.587 -3.245 -21.543 574 2HB ASP 76 1HB ASP 76 -1.976 -2.475 -21.798 575 H GLU 77 H GLU 77 -3.206 -4.804 -18.287 576 HA GLU 77 HA GLU 77 -2.248 -2.829 -16.563 577 1HB GLU 77 2HB GLU 77 -4.798 -2.224 -18.029 578 2HB GLU 77 1HB GLU 77 -4.870 -2.141 -16.245 579 1HG GLU 77 2HG GLU 77 -2.880 -0.611 -16.194 580 2HG GLU 77 1HG GLU 77 -2.858 -0.604 -17.988 581 H TRP 78 H TRP 78 -3.275 -3.226 -14.532 582 HA TRP 78 HA TRP 78 -4.063 -6.035 -14.277 583 1HB TRP 78 2HB TRP 78 -3.154 -3.932 -12.235 584 2HB TRP 78 1HB TRP 78 -3.594 -5.621 -11.840 585 HD1 TRP 78 HD TRP 78 -0.911 -3.936 -14.268 586 HE1 TRP 78 1HE TRP 78 1.365 -5.011 -13.669 587 HE3 TRP 78 3HE TRP 78 -2.470 -7.227 -10.740 588 HZ2 TRP 78 2HZ TRP 78 2.337 -6.925 -11.901 589 HZ3 TRP 78 3HZ TRP 78 -0.833 -8.636 -9.620 590 HH2 TRP 78 HH TRP 78 1.548 -8.438 -10.127 591 H ILE 79 H ILE 79 -6.181 -6.496 -13.361 592 HA ILE 79 HA ILE 79 -7.893 -4.138 -13.183 593 HB ILE 79 HB ILE 79 -9.726 -5.318 -13.483 594 1HG1 ILE 79 2HG1 ILE 79 -8.239 -7.771 -12.525 595 2HG1 ILE 79 1HG1 ILE 79 -9.695 -6.990 -11.869 596 1HG2 ILE 79 1HG2 ILE 79 -8.302 -5.125 -15.506 597 2HG2 ILE 79 2HG2 ILE 79 -9.449 -6.502 -15.581 598 3HG2 ILE 79 3HG2 ILE 79 -7.704 -6.813 -15.230 599 1HD1 ILE 79 1HD1 ILE 79 -10.356 -9.085 -12.959 600 2HD1 ILE 79 2HD1 ILE 79 -9.582 -8.599 -14.498 601 3HD1 ILE 79 3HD1 ILE 79 -11.025 -7.700 -13.899 602 H CYS 80 H CYS 80 -9.049 -3.854 -11.241 603 HA CYS 80 HA CYS 80 -7.710 -5.076 -8.937 604 1HB CYS 80 2HB CYS 80 -9.709 -2.818 -9.239 605 2HB CYS 80 1HB CYS 80 -9.265 -3.480 -7.639 606 HG CYS 80 HG CYS 80 -7.382 -2.034 -9.958 607 H ASP 81 H ASP 81 -8.582 -6.978 -8.254 608 HA ASP 81 HA ASP 81 -10.451 -8.247 -9.766 609 1HB ASP 81 2HB ASP 81 -8.529 -9.300 -8.687 610 2HB ASP 81 1HB ASP 81 -9.125 -8.817 -7.063 611 H ARG 82 H ARG 82 -10.745 -7.223 -6.405 612 HA ARG 82 HA ARG 82 -12.937 -8.577 -5.744 613 1HB ARG 82 2HB ARG 82 -11.286 -7.310 -4.348 614 2HB ARG 82 1HB ARG 82 -12.182 -5.805 -4.677 615 1HG ARG 82 2HG ARG 82 -13.334 -8.313 -3.277 616 2HG ARG 82 1HG ARG 82 -12.507 -6.964 -2.451 617 1HD ARG 82 2HD ARG 82 -14.306 -5.379 -3.389 618 2HD ARG 82 1HD ARG 82 -15.245 -6.858 -3.868 619 HE ARG 82 HE ARG 82 -14.524 -7.437 -1.250 620 1HH1 ARG 82 1HH1 ARG 82 -16.313 -4.616 -2.457 621 2HH1 ARG 82 2HH1 ARG 82 -16.531 -3.998 -0.873 622 1HH2 ARG 82 1HH2 ARG 82 -15.032 -6.754 0.692 623 2HH2 ARG 82 2HH2 ARG 82 -15.793 -5.210 0.993 624 H SER 83 H SER 83 -13.255 -5.050 -6.529 625 HA SER 83 HA SER 83 -16.080 -5.490 -6.941 626 1HB SER 83 2HB SER 83 -14.343 -2.999 -7.307 627 2HB SER 83 1HB SER 83 -16.135 -3.054 -7.504 628 HG SER 83 HG SER 83 -15.221 -2.451 -5.362 629 H GLY 84 H GLY 84 -13.173 -5.318 -8.923 630 1HA GLY 84 2HA GLY 84 -13.057 -5.783 -11.151 631 2HA GLY 84 1HA GLY 84 -14.804 -5.420 -11.353 632 H GLU 85 H GLU 85 -11.588 -4.051 -10.915 633 HA GLU 85 HA GLU 85 -12.466 -1.556 -12.092 634 1HB GLU 85 2HB GLU 85 -11.290 -1.721 -9.275 635 2HB GLU 85 1HB GLU 85 -11.238 -0.219 -10.247 636 1HG GLU 85 2HG GLU 85 -13.816 -1.641 -9.373 637 2HG GLU 85 1HG GLU 85 -13.014 -0.275 -8.526 638 H THR 86 H THR 86 -9.905 -0.238 -11.505 639 HA THR 86 HA THR 86 -8.293 -1.882 -13.352 640 HB THR 86 HB THR 86 -9.147 1.045 -13.457 641 HG1 THR 86 1HG THR 86 -10.451 0.400 -15.064 642 1HG2 THR 86 1HG2 THR 86 -7.529 -0.706 -15.475 643 2HG2 THR 86 2HG2 THR 86 -6.857 0.687 -14.545 644 3HG2 THR 86 3HG2 THR 86 -8.106 0.969 -15.790 645 H PHE 87 H PHE 87 -6.005 -1.598 -13.141 646 HA PHE 87 HA PHE 87 -4.791 -0.930 -10.981 647 1HB PHE 87 2HB PHE 87 -3.976 -2.038 -13.020 648 2HB PHE 87 1HB PHE 87 -3.956 -0.488 -13.910 649 HD1 PHE 87 1HD PHE 87 -1.874 -1.693 -14.452 650 HD2 PHE 87 2HD PHE 87 -2.489 0.060 -10.612 651 HE1 PHE 87 1HE PHE 87 0.537 -1.700 -14.051 652 HE2 PHE 87 2HE PHE 87 -0.106 0.120 -10.257 653 HZ PHE 87 HZ PHE 87 1.430 -0.818 -11.952 654 H TRP 88 H TRP 88 -3.834 1.415 -13.482 655 HA TRP 88 HA TRP 88 -3.180 3.093 -11.351 656 1HB TRP 88 2HB TRP 88 -3.149 3.958 -14.262 657 2HB TRP 88 1HB TRP 88 -2.180 4.517 -12.877 658 HD1 TRP 88 HD TRP 88 -2.397 2.003 -15.682 659 HE1 TRP 88 1HE TRP 88 -0.092 0.998 -16.078 660 HE3 TRP 88 3HE TRP 88 -0.196 3.475 -11.355 661 HZ2 TRP 88 2HZ TRP 88 2.412 0.929 -14.721 662 HZ3 TRP 88 3HZ TRP 88 2.147 2.798 -10.926 663 HH2 TRP 88 HH TRP 88 3.432 1.655 -12.609 664 H ASP 89 H ASP 89 -5.839 2.948 -13.523 665 HA ASP 89 HA ASP 89 -6.954 5.496 -13.109 666 1HB ASP 89 2HB ASP 89 -7.826 2.866 -14.228 667 2HB ASP 89 1HB ASP 89 -9.181 3.777 -13.476 668 H LEU 90 H LEU 90 -7.630 2.435 -11.229 669 HA LEU 90 HA LEU 90 -9.419 3.775 -9.599 670 1HB LEU 90 2HB LEU 90 -9.355 1.313 -9.802 671 2HB LEU 90 1HB LEU 90 -7.766 1.275 -8.998 672 HG LEU 90 HG LEU 90 -8.799 2.376 -6.979 673 1HD1 LEU 90 1HD1 LEU 90 -10.866 3.374 -7.968 674 2HD1 LEU 90 2HD1 LEU 90 -11.322 2.186 -6.694 675 3HD1 LEU 90 3HD1 LEU 90 -11.459 1.737 -8.432 676 1HD2 LEU 90 1HD2 LEU 90 -9.850 0.291 -6.110 677 2HD2 LEU 90 2HD2 LEU 90 -8.334 -0.042 -7.034 678 3HD2 LEU 90 3HD2 LEU 90 -9.944 -0.358 -7.795 679 H LEU 91 H LEU 91 -6.024 2.890 -9.330 680 HA LEU 91 HA LEU 91 -5.309 3.902 -6.897 681 1HB LEU 91 2HB LEU 91 -3.920 2.546 -8.427 682 2HB LEU 91 1HB LEU 91 -3.697 3.946 -9.507 683 HG LEU 91 HG LEU 91 -2.891 4.114 -6.576 684 1HD1 LEU 91 1HD1 LEU 91 -1.222 2.853 -8.855 685 2HD1 LEU 91 2HD1 LEU 91 -1.889 1.988 -7.419 686 3HD1 LEU 91 3HD1 LEU 91 -0.610 3.239 -7.203 687 1HD2 LEU 91 1HD2 LEU 91 -1.082 5.610 -7.471 688 2HD2 LEU 91 2HD2 LEU 91 -2.704 6.244 -7.905 689 3HD2 LEU 91 3HD2 LEU 91 -1.727 5.378 -9.143 690 H GLU 92 H GLU 92 -5.269 5.698 -9.943 691 HA GLU 92 HA GLU 92 -4.618 8.187 -9.007 692 1HB GLU 92 2HB GLU 92 -4.862 7.481 -11.448 693 2HB GLU 92 1HB GLU 92 -6.622 7.690 -11.253 694 1HG GLU 92 2HG GLU 92 -5.957 10.167 -10.449 695 2HG GLU 92 1HG GLU 92 -4.366 9.778 -11.174 696 H GLN 93 H GLN 93 -7.982 6.859 -9.344 697 HA GLN 93 HA GLN 93 -9.266 9.082 -8.341 698 1HB GLN 93 2HB GLN 93 -9.884 6.092 -8.387 699 2HB GLN 93 1HB GLN 93 -11.071 7.312 -7.837 700 1HG GLN 93 2HG GLN 93 -11.136 8.397 -10.014 701 2HG GLN 93 1HG GLN 93 -9.785 7.399 -10.643 702 1HE2 GLN 93 1HE2 GLN 93 -10.179 5.273 -11.273 703 2HE2 GLN 93 2HE2 GLN 93 -11.774 4.556 -11.348 704 H ALA 94 H ALA 94 -8.128 6.157 -6.605 705 HA ALA 94 HA ALA 94 -8.950 6.911 -4.062 706 1HB ALA 94 1HB ALA 94 -7.316 5.189 -3.312 707 2HB ALA 94 2HB ALA 94 -6.584 5.170 -4.964 708 3HB ALA 94 3HB ALA 94 -8.273 4.603 -4.719 709 H ALA 95 H ALA 95 -5.777 7.410 -5.663 710 HA ALA 95 HA ALA 95 -4.529 8.714 -3.590 711 1HB ALA 95 1HB ALA 95 -4.113 9.007 -6.616 712 2HB ALA 95 2HB ALA 95 -3.455 7.684 -5.597 713 3HB ALA 95 3HB ALA 95 -2.903 9.369 -5.310 714 H THR 96 H THR 96 -6.350 10.090 -6.318 715 HA THR 96 HA THR 96 -5.941 12.738 -5.688 716 HB THR 96 HB THR 96 -8.262 11.446 -7.164 717 HG1 THR 96 1HG THR 96 -6.475 11.068 -8.245 718 1HG2 THR 96 1HG2 THR 96 -7.280 14.382 -7.047 719 2HG2 THR 96 2HG2 THR 96 -8.908 13.773 -6.552 720 3HG2 THR 96 3HG2 THR 96 -8.420 13.724 -8.278 721 H GLN 97 H GLN 97 -8.347 10.498 -4.524 722 HA GLN 97 HA GLN 97 -9.792 12.392 -2.943 723 1HB GLN 97 2HB GLN 97 -10.910 10.401 -3.542 724 2HB GLN 97 1HB GLN 97 -9.491 9.409 -3.181 725 1HG GLN 97 2HG GLN 97 -11.062 8.808 -1.601 726 2HG GLN 97 1HG GLN 97 -9.897 9.724 -0.656 727 1HE2 GLN 97 1HE2 GLN 97 -10.535 12.275 -0.544 728 2HE2 GLN 97 2HE2 GLN 97 -12.215 12.561 -0.215 729 H GLN 98 H GLN 98 -7.451 9.837 -2.014 730 HA GLN 98 HA GLN 98 -7.575 10.667 0.631 731 1HB GLN 98 2HB GLN 98 -6.372 8.698 1.119 732 2HB GLN 98 1HB GLN 98 -7.425 8.385 -0.284 733 1HG GLN 98 2HG GLN 98 -5.229 9.001 -1.690 734 2HG GLN 98 1HG GLN 98 -4.382 8.543 -0.170 735 1HE2 GLN 98 1HE2 GLN 98 -3.721 7.106 -2.233 736 2HE2 GLN 98 2HE2 GLN 98 -4.493 5.540 -2.268 737 H ALA 99 H ALA 99 -5.290 11.680 -1.808 738 HA ALA 99 HA ALA 99 -3.679 12.974 0.256 739 1HB ALA 99 1HB ALA 99 -2.209 13.582 -1.651 740 2HB ALA 99 2HB ALA 99 -3.397 12.869 -2.808 741 3HB ALA 99 3HB ALA 99 -2.528 11.814 -1.640 742 H GLY 100 H GLY 100 -5.986 13.703 -2.330 743 1HA GLY 100 2HA GLY 100 -7.534 15.335 -2.024 744 2HA GLY 100 1HA GLY 100 -6.390 16.304 -1.059 745 H GLU 101 H GLU 101 -5.150 15.096 -4.040 746 HA GLU 101 HA GLU 101 -5.841 17.431 -5.564 747 1HB GLU 101 2HB GLU 101 -3.396 17.949 -6.038 748 2HB GLU 101 1HB GLU 101 -3.918 18.402 -4.398 749 1HG GLU 101 2HG GLU 101 -2.833 16.478 -3.379 750 2HG GLU 101 1HG GLU 101 -2.474 15.742 -4.984 751 H THR 102 H THR 102 -5.028 17.022 -7.911 752 HA THR 102 HA THR 102 -5.456 14.352 -8.499 753 HB THR 102 HB THR 102 -4.082 16.346 -10.316 754 HG1 THR 102 1HG THR 102 -6.805 15.816 -10.401 755 1HG2 THR 102 1HG2 THR 102 -4.070 13.944 -11.153 756 2HG2 THR 102 2HG2 THR 102 -5.204 14.953 -12.093 757 3HG2 THR 102 3HG2 THR 102 -5.832 13.828 -10.836 758 H VAL 103 H VAL 103 -4.143 12.684 -8.074 759 HA VAL 103 HA VAL 103 -1.260 13.129 -8.043 760 HB VAL 103 HB VAL 103 -2.895 10.737 -7.286 761 1HG1 VAL 103 1HG1 VAL 103 -0.738 10.014 -6.139 762 2HG1 VAL 103 2HG1 VAL 103 0.103 11.434 -6.852 763 3HG1 VAL 103 3HG1 VAL 103 -0.530 10.116 -7.915 764 1HG2 VAL 103 1HG2 VAL 103 -3.370 12.625 -5.756 765 2HG2 VAL 103 2HG2 VAL 103 -1.614 13.002 -5.597 766 3HG2 VAL 103 3HG2 VAL 103 -2.296 11.481 -4.907 767 H SER 104 H SER 104 -0.343 13.040 -9.894 768 HA SER 104 HA SER 104 -1.386 11.524 -12.085 769 1HB SER 104 2HB SER 104 1.202 13.137 -11.853 770 2HB SER 104 1HB SER 104 0.611 12.361 -13.367 771 HG SER 104 HG SER 104 0.049 14.595 -13.107 772 H PHE 105 H PHE 105 -1.185 9.330 -11.957 773 HA PHE 105 HA PHE 105 1.548 8.450 -12.242 774 1HB PHE 105 2HB PHE 105 0.667 8.125 -9.838 775 2HB PHE 105 1HB PHE 105 -0.423 6.873 -10.493 776 HD1 PHE 105 1HD PHE 105 0.709 5.768 -8.635 777 HD2 PHE 105 2HD PHE 105 2.868 6.815 -12.154 778 HE1 PHE 105 1HE PHE 105 2.468 4.194 -8.026 779 HE2 PHE 105 2HE PHE 105 4.608 5.265 -11.551 780 HZ PHE 105 HZ PHE 105 4.444 3.948 -9.472 781 H ARG 106 H ARG 106 -1.758 8.540 -13.260 782 HA ARG 106 HA ARG 106 -1.699 6.116 -14.742 783 1HB ARG 106 2HB ARG 106 -3.605 7.339 -13.398 784 2HB ARG 106 1HB ARG 106 -3.702 8.453 -14.787 785 1HG ARG 106 2HG ARG 106 -4.133 5.446 -14.801 786 2HG ARG 106 1HG ARG 106 -5.415 6.697 -14.751 787 1HD ARG 106 2HD ARG 106 -5.562 6.291 -17.010 788 2HD ARG 106 1HD ARG 106 -4.242 7.507 -17.069 789 HE ARG 106 HE ARG 106 -2.682 5.741 -17.483 790 1HH1 ARG 106 1HH1 ARG 106 -5.802 4.242 -16.398 791 2HH1 ARG 106 2HH1 ARG 106 -5.137 2.656 -16.632 792 1HH2 ARG 106 1HH2 ARG 106 -2.288 3.518 -18.384 793 2HH2 ARG 106 2HH2 ARG 106 -3.519 2.325 -18.039 Start of MODEL 15 1 HA MET 1 HA MET 1 1.472 -20.649 -9.155 2 1HB MET 1 2HB MET 1 2.823 -23.380 -9.494 3 2HB MET 1 1HB MET 1 3.244 -22.203 -8.213 4 1HG MET 1 2HG MET 1 0.913 -22.323 -7.324 5 2HG MET 1 1HG MET 1 0.495 -23.523 -8.578 6 1HE MET 1 1HE MET 1 -0.414 -25.151 -6.931 7 2HE MET 1 2HE MET 1 -0.113 -23.938 -5.642 8 3HE MET 1 3HE MET 1 0.377 -25.648 -5.398 9 H ASN 2 H ASN 2 2.167 -18.985 -10.604 10 HA ASN 2 HA ASN 2 4.834 -19.420 -11.738 11 1HB ASN 2 2HB ASN 2 2.680 -18.929 -13.185 12 2HB ASN 2 1HB ASN 2 2.841 -17.245 -12.586 13 1HD2 ASN 2 1HD2 ASN 2 3.003 -17.125 -15.090 14 2HD2 ASN 2 2HD2 ASN 2 4.577 -17.323 -15.808 15 H ASP 3 H ASP 3 5.080 -19.033 -9.175 16 HA ASP 3 HA ASP 3 4.855 -16.460 -8.251 17 1HB ASP 3 2HB ASP 3 6.581 -17.427 -6.461 18 2HB ASP 3 1HB ASP 3 4.857 -17.867 -6.507 19 H SER 4 H SER 4 7.505 -17.890 -10.058 20 HA SER 4 HA SER 4 9.367 -15.876 -9.421 21 1HB SER 4 2HB SER 4 10.588 -16.605 -11.475 22 2HB SER 4 1HB SER 4 10.205 -17.919 -10.327 23 HG SER 4 HG SER 4 8.627 -18.636 -11.627 24 H GLU 5 H GLU 5 7.068 -16.139 -12.164 25 HA GLU 5 HA GLU 5 7.873 -13.669 -13.261 26 1HB GLU 5 2HB GLU 5 6.729 -15.434 -14.572 27 2HB GLU 5 1HB GLU 5 5.227 -15.158 -13.636 28 1HG GLU 5 2HG GLU 5 5.077 -12.813 -14.522 29 2HG GLU 5 1HG GLU 5 6.692 -12.991 -15.301 30 H PHE 6 H PHE 6 5.065 -14.543 -11.129 31 HA PHE 6 HA PHE 6 4.093 -12.067 -10.755 32 1HB PHE 6 2HB PHE 6 3.115 -14.214 -9.944 33 2HB PHE 6 1HB PHE 6 4.481 -14.402 -8.790 34 HD1 PHE 6 1HD PHE 6 2.199 -11.560 -9.747 35 HD2 PHE 6 2HD PHE 6 3.771 -14.033 -6.655 36 HE1 PHE 6 1HE PHE 6 1.054 -10.205 -8.089 37 HE2 PHE 6 2HE PHE 6 2.589 -12.695 -4.987 38 HZ PHE 6 HZ PHE 6 1.286 -10.731 -5.688 39 H HIS 7 H HIS 7 6.866 -13.486 -8.887 40 HA HIS 7 HA HIS 7 7.280 -11.203 -7.368 41 1HB HIS 7 2HB HIS 7 8.284 -13.082 -6.486 42 2HB HIS 7 1HB HIS 7 8.773 -13.682 -8.097 43 HD1 HIS 7 1HD HIS 7 10.059 -10.470 -6.291 44 HD2 HIS 7 2HD HIS 7 11.264 -13.917 -8.342 45 HE1 HIS 7 1HE HIS 7 12.543 -10.434 -6.318 46 H ARG 8 H ARG 8 8.586 -11.954 -10.639 47 HA ARG 8 HA ARG 8 10.300 -9.758 -10.744 48 1HB ARG 8 2HB ARG 8 8.867 -11.489 -12.747 49 2HB ARG 8 1HB ARG 8 9.337 -9.875 -13.326 50 1HG ARG 8 2HG ARG 8 11.121 -11.101 -13.992 51 2HG ARG 8 1HG ARG 8 11.693 -10.292 -12.514 52 1HD ARG 8 2HD ARG 8 11.292 -12.485 -11.245 53 2HD ARG 8 1HD ARG 8 10.868 -13.280 -12.805 54 HE ARG 8 HE ARG 8 13.529 -12.374 -11.884 55 1HH1 ARG 8 1HH1 ARG 8 11.715 -13.319 -14.869 56 2HH1 ARG 8 2HH1 ARG 8 13.196 -13.641 -15.722 57 1HH2 ARG 8 1HH2 ARG 8 15.330 -12.497 -13.193 58 2HH2 ARG 8 2HH2 ARG 8 15.252 -13.077 -14.820 59 H LEU 9 H LEU 9 6.868 -9.928 -11.848 60 HA LEU 9 HA LEU 9 6.740 -7.225 -12.487 61 1HB LEU 9 2HB LEU 9 4.573 -9.244 -11.709 62 2HB LEU 9 1HB LEU 9 4.283 -7.674 -12.533 63 HG LEU 9 HG LEU 9 5.914 -9.993 -13.716 64 1HD1 LEU 9 1HD1 LEU 9 3.930 -10.388 -15.157 65 2HD1 LEU 9 2HD1 LEU 9 3.018 -9.105 -14.280 66 3HD1 LEU 9 3HD1 LEU 9 3.520 -10.609 -13.415 67 1HD2 LEU 9 1HD2 LEU 9 5.653 -8.742 -15.867 68 2HD2 LEU 9 2HD2 LEU 9 6.581 -7.773 -14.666 69 3HD2 LEU 9 3HD2 LEU 9 4.849 -7.391 -14.993 70 H ALA 10 H ALA 10 5.843 -8.934 -9.484 71 HA ALA 10 HA ALA 10 4.639 -6.756 -8.269 72 1HB ALA 10 1HB ALA 10 4.658 -8.181 -6.255 73 2HB ALA 10 2HB ALA 10 5.877 -9.266 -7.040 74 3HB ALA 10 3HB ALA 10 4.218 -9.128 -7.712 75 H ASP 11 H ASP 11 8.072 -7.911 -8.011 76 HA ASP 11 HA ASP 11 8.801 -5.904 -6.201 77 1HB ASP 11 2HB ASP 11 10.270 -7.773 -8.122 78 2HB ASP 11 1HB ASP 11 11.153 -6.491 -7.234 79 H GLN 12 H GLN 12 8.803 -5.992 -9.816 80 HA GLN 12 HA GLN 12 9.852 -3.476 -10.119 81 1HB GLN 12 2HB GLN 12 7.871 -5.012 -11.842 82 2HB GLN 12 1HB GLN 12 8.489 -3.396 -12.267 83 1HG GLN 12 2HG GLN 12 10.874 -4.663 -11.648 84 2HG GLN 12 1HG GLN 12 9.937 -6.056 -12.242 85 1HE2 GLN 12 1HE2 GLN 12 10.322 -2.560 -13.239 86 2HE2 GLN 12 2HE2 GLN 12 10.643 -2.936 -14.909 87 H LEU 13 H LEU 13 6.248 -4.141 -9.831 88 HA LEU 13 HA LEU 13 5.729 -1.445 -9.961 89 1HB LEU 13 2HB LEU 13 3.516 -2.007 -9.195 90 2HB LEU 13 1HB LEU 13 4.095 -2.984 -10.584 91 HG LEU 13 HG LEU 13 4.661 -4.748 -8.647 92 1HD1 LEU 13 1HD1 LEU 13 3.875 -3.309 -6.705 93 2HD1 LEU 13 2HD1 LEU 13 2.857 -4.782 -6.899 94 3HD1 LEU 13 3HD1 LEU 13 2.255 -3.190 -7.480 95 1HD2 LEU 13 1HD2 LEU 13 3.168 -5.128 -10.602 96 2HD2 LEU 13 2HD2 LEU 13 1.835 -4.231 -9.782 97 3HD2 LEU 13 3HD2 LEU 13 2.420 -5.792 -9.101 98 H TRP 14 H TRP 14 6.282 -3.429 -7.082 99 HA TRP 14 HA TRP 14 5.902 -1.531 -5.139 100 1HB TRP 14 2HB TRP 14 7.848 -3.832 -5.494 101 2HB TRP 14 1HB TRP 14 8.144 -2.716 -4.142 102 HD1 TRP 14 HD TRP 14 4.400 -3.317 -4.429 103 HE1 TRP 14 1HE TRP 14 3.773 -4.747 -2.388 104 HE3 TRP 14 3HE TRP 14 9.061 -4.764 -3.030 105 HZ2 TRP 14 2HZ TRP 14 5.114 -6.284 -0.431 106 HZ3 TRP 14 3HZ TRP 14 9.311 -6.251 -1.107 107 HH2 TRP 14 HH TRP 14 7.379 -6.978 0.187 108 H LEU 15 H LEU 15 8.885 -1.958 -7.041 109 HA LEU 15 HA LEU 15 10.245 0.160 -5.864 110 1HB LEU 15 2HB LEU 15 11.279 -1.690 -7.165 111 2HB LEU 15 1HB LEU 15 10.531 -1.065 -8.656 112 HG LEU 15 HG LEU 15 11.858 1.053 -8.422 113 1HD1 LEU 15 1HD1 LEU 15 13.157 -0.398 -6.019 114 2HD1 LEU 15 2HD1 LEU 15 12.234 1.156 -5.967 115 3HD1 LEU 15 3HD1 LEU 15 13.816 1.074 -6.818 116 1HD2 LEU 15 1HD2 LEU 15 12.683 -0.850 -9.806 117 2HD2 LEU 15 2HD2 LEU 15 13.531 -1.538 -8.372 118 3HD2 LEU 15 3HD2 LEU 15 14.052 0.047 -9.045 119 H THR 16 H THR 16 8.399 0.120 -8.936 120 HA THR 16 HA THR 16 8.755 2.784 -9.546 121 HB THR 16 HB THR 16 6.575 0.826 -10.252 122 HG1 THR 16 1HG THR 16 8.533 2.142 -11.790 123 1HG2 THR 16 1HG2 THR 16 5.498 3.068 -10.494 124 2HG2 THR 16 2HG2 THR 16 5.964 2.451 -12.106 125 3HG2 THR 16 3HG2 THR 16 6.972 3.712 -11.312 126 H ILE 17 H ILE 17 6.109 1.365 -7.562 127 HA ILE 17 HA ILE 17 4.824 3.766 -7.109 128 HB ILE 17 HB ILE 17 5.026 1.273 -5.421 129 1HG1 ILE 17 2HG1 ILE 17 2.731 2.345 -7.167 130 2HG1 ILE 17 1HG1 ILE 17 3.954 1.216 -7.808 131 1HG2 ILE 17 1HG2 ILE 17 2.952 2.163 -4.314 132 2HG2 ILE 17 2HG2 ILE 17 3.194 3.747 -5.133 133 3HG2 ILE 17 3HG2 ILE 17 4.391 3.142 -3.925 134 1HD1 ILE 17 1HD1 ILE 17 1.996 -0.068 -7.100 135 2HD1 ILE 17 2HD1 ILE 17 2.050 0.638 -5.448 136 3HD1 ILE 17 3HD1 ILE 17 3.376 -0.448 -6.004 137 H GLU 18 H GLU 18 7.521 2.322 -5.190 138 HA GLU 18 HA GLU 18 7.397 4.371 -3.281 139 1HB GLU 18 2HB GLU 18 8.596 2.176 -2.958 140 2HB GLU 18 1HB GLU 18 9.893 2.800 -4.011 141 1HG GLU 18 2HG GLU 18 10.277 4.740 -2.485 142 2HG GLU 18 1HG GLU 18 8.960 4.165 -1.413 143 H GLU 19 H GLU 19 9.490 3.942 -6.106 144 HA GLU 19 HA GLU 19 10.934 6.254 -6.103 145 1HB GLU 19 2HB GLU 19 9.796 4.472 -8.266 146 2HB GLU 19 1HB GLU 19 10.597 5.977 -8.773 147 1HG GLU 19 2HG GLU 19 12.000 3.910 -6.982 148 2HG GLU 19 1HG GLU 19 12.053 3.896 -8.779 149 H ARG 20 H ARG 20 7.779 5.887 -7.831 150 HA ARG 20 HA ARG 20 7.790 8.536 -8.650 151 1HB ARG 20 2HB ARG 20 6.482 6.628 -9.657 152 2HB ARG 20 1HB ARG 20 5.359 6.773 -8.285 153 1HG ARG 20 2HG ARG 20 4.334 7.927 -10.043 154 2HG ARG 20 1HG ARG 20 4.958 9.242 -9.025 155 1HD ARG 20 2HD ARG 20 6.416 8.177 -11.536 156 2HD ARG 20 1HD ARG 20 5.163 9.455 -11.611 157 HE ARG 20 HE ARG 20 7.918 9.727 -10.515 158 1HH1 ARG 20 1HH1 ARG 20 4.712 11.322 -10.730 159 2HH1 ARG 20 2HH1 ARG 20 5.387 12.887 -10.571 160 1HH2 ARG 20 1HH2 ARG 20 8.717 11.805 -10.109 161 2HH2 ARG 20 2HH2 ARG 20 7.694 13.172 -10.324 162 H LEU 21 H LEU 21 6.378 7.093 -5.674 163 HA LEU 21 HA LEU 21 5.117 9.540 -4.983 164 1HB LEU 21 2HB LEU 21 5.650 6.912 -3.626 165 2HB LEU 21 1HB LEU 21 5.246 8.309 -2.591 166 HG LEU 21 HG LEU 21 3.306 6.934 -3.105 167 1HD1 LEU 21 1HD1 LEU 21 3.065 9.385 -2.574 168 2HD1 LEU 21 2HD1 LEU 21 1.737 8.758 -3.621 169 3HD1 LEU 21 3HD1 LEU 21 3.051 9.751 -4.339 170 1HD2 LEU 21 1HD2 LEU 21 3.544 7.861 -6.032 171 2HD2 LEU 21 2HD2 LEU 21 2.180 6.943 -5.303 172 3HD2 LEU 21 3HD2 LEU 21 3.815 6.183 -5.423 173 H ASP 22 H ASP 22 8.285 8.143 -4.018 174 HA ASP 22 HA ASP 22 8.794 10.176 -2.172 175 1HB ASP 22 2HB ASP 22 9.794 7.845 -2.236 176 2HB ASP 22 1HB ASP 22 10.752 8.344 -3.673 177 H ASP 23 H ASP 23 9.638 9.848 -5.614 178 HA ASP 23 HA ASP 23 11.339 12.028 -5.779 179 1HB ASP 23 2HB ASP 23 11.093 10.057 -7.316 180 2HB ASP 23 1HB ASP 23 9.483 10.658 -7.812 181 H TRP 24 H TRP 24 7.861 11.912 -5.591 182 HA TRP 24 HA TRP 24 7.626 14.451 -6.966 183 1HB TRP 24 2HB TRP 24 6.436 12.208 -7.458 184 2HB TRP 24 1HB TRP 24 5.346 12.597 -6.120 185 HD1 TRP 24 HD TRP 24 6.774 14.889 -9.043 186 HE1 TRP 24 1HE TRP 24 4.842 15.274 -10.737 187 HE3 TRP 24 3HE TRP 24 3.083 12.285 -6.725 188 HZ2 TRP 24 2HZ TRP 24 2.093 14.827 -10.874 189 HZ3 TRP 24 3HZ TRP 24 0.864 12.241 -7.728 190 HH2 TRP 24 HH TRP 24 0.357 13.521 -9.746 191 H ASP 25 H ASP 25 4.912 14.670 -5.730 192 HA ASP 25 HA ASP 25 3.961 16.126 -4.592 193 1HB ASP 25 2HB ASP 25 4.519 14.092 -3.005 194 2HB ASP 25 1HB ASP 25 5.333 15.342 -2.019 195 H GLY 26 H GLY 26 4.677 17.505 -2.149 196 1HA GLY 26 2HA GLY 26 6.763 19.135 -2.099 197 2HA GLY 26 1HA GLY 26 5.768 19.843 -3.431 198 H ASP 27 H ASP 27 3.221 19.397 -2.463 199 HA ASP 27 HA ASP 27 3.068 21.534 -0.602 200 1HB ASP 27 2HB ASP 27 1.510 20.625 -2.691 201 2HB ASP 27 1HB ASP 27 0.597 19.914 -1.321 202 H SER 28 H SER 28 2.830 18.056 -0.487 203 HA SER 28 HA SER 28 2.316 18.180 2.408 204 1HB SER 28 2HB SER 28 1.869 15.864 0.449 205 2HB SER 28 1HB SER 28 1.596 15.789 2.215 206 HG SER 28 HG SER 28 0.194 17.139 0.226 207 H ASP 29 H ASP 29 3.434 16.414 3.649 208 HA ASP 29 HA ASP 29 6.057 15.830 2.543 209 1HB ASP 29 2HB ASP 29 5.799 16.866 4.874 210 2HB ASP 29 1HB ASP 29 4.983 15.343 5.385 211 H ILE 30 H ILE 30 6.688 13.661 2.232 212 HA ILE 30 HA ILE 30 4.651 11.639 2.292 213 HB ILE 30 HB ILE 30 4.280 12.671 0.172 214 1HG1 ILE 30 2HG1 ILE 30 4.920 10.886 -1.421 215 2HG1 ILE 30 1HG1 ILE 30 5.981 10.134 -0.211 216 1HG2 ILE 30 1HG2 ILE 30 6.059 12.932 -1.533 217 2HG2 ILE 30 2HG2 ILE 30 7.310 12.431 -0.361 218 3HG2 ILE 30 3HG2 ILE 30 6.382 13.958 -0.096 219 1HD1 ILE 30 1HD1 ILE 30 3.985 9.678 1.267 220 2HD1 ILE 30 2HD1 ILE 30 3.735 9.008 -0.383 221 3HD1 ILE 30 3HD1 ILE 30 2.921 10.542 0.089 222 H ASP 31 H ASP 31 5.542 9.991 3.162 223 HA ASP 31 HA ASP 31 8.184 9.200 2.223 224 1HB ASP 31 2HB ASP 31 8.307 10.377 4.551 225 2HB ASP 31 1HB ASP 31 7.502 8.912 5.209 226 H CYS 32 H CYS 32 8.273 7.128 1.566 227 HA CYS 32 HA CYS 32 5.987 5.412 2.248 228 1HB CYS 32 2HB CYS 32 6.663 5.652 -0.237 229 2HB CYS 32 1HB CYS 32 8.234 5.063 0.270 230 HG CYS 32 HG CYS 32 7.320 2.691 1.096 231 H GLU 33 H GLU 33 6.267 3.646 3.503 232 HA GLU 33 HA GLU 33 8.873 3.543 4.893 233 1HB GLU 33 2HB GLU 33 6.286 2.379 5.951 234 2HB GLU 33 1HB GLU 33 7.772 2.763 6.848 235 1HG GLU 33 2HG GLU 33 7.257 5.225 6.622 236 2HG GLU 33 1HG GLU 33 5.798 4.825 5.643 237 H ILE 34 H ILE 34 9.974 1.490 5.063 238 HA ILE 34 HA ILE 34 8.457 -0.825 4.224 239 HB ILE 34 HB ILE 34 10.067 -0.569 2.625 240 1HG1 ILE 34 2HG1 ILE 34 11.671 -2.443 3.041 241 2HG1 ILE 34 1HG1 ILE 34 11.217 -2.413 4.772 242 1HG2 ILE 34 1HG2 ILE 34 12.160 0.025 4.827 243 2HG2 ILE 34 2HG2 ILE 34 11.519 1.192 3.604 244 3HG2 ILE 34 3HG2 ILE 34 12.509 -0.210 3.088 245 1HD1 ILE 34 1HD1 ILE 34 10.049 -4.249 3.432 246 2HD1 ILE 34 2HD1 ILE 34 9.260 -2.979 2.425 247 3HD1 ILE 34 3HD1 ILE 34 8.867 -3.123 4.176 248 H ASN 35 H ASN 35 7.753 -1.563 5.932 249 HA ASN 35 HA ASN 35 9.659 -2.269 8.072 250 1HB ASN 35 2HB ASN 35 6.729 -1.468 8.505 251 2HB ASN 35 1HB ASN 35 7.766 -2.261 9.750 252 1HD2 ASN 35 1HD2 ASN 35 6.573 0.704 9.020 253 2HD2 ASN 35 2HD2 ASN 35 7.874 1.697 9.601 254 H GLY 36 H GLY 36 9.879 -4.351 8.337 255 1HA GLY 36 2HA GLY 36 9.685 -6.512 8.037 256 2HA GLY 36 1HA GLY 36 7.908 -6.281 7.871 257 H GLY 37 H GLY 37 7.017 -6.572 5.959 258 1HA GLY 37 2HA GLY 37 8.608 -6.201 3.524 259 2HA GLY 37 1HA GLY 37 7.660 -7.712 3.789 260 H VAL 38 H VAL 38 6.480 -4.642 5.022 261 HA VAL 38 HA VAL 38 4.416 -4.615 2.909 262 HB VAL 38 HB VAL 38 4.296 -3.565 5.751 263 1HG1 VAL 38 1HG1 VAL 38 2.162 -3.869 3.528 264 2HG1 VAL 38 2HG1 VAL 38 2.832 -2.310 4.133 265 3HG1 VAL 38 3HG1 VAL 38 1.855 -3.349 5.224 266 1HG2 VAL 38 1HG2 VAL 38 3.158 -6.142 4.485 267 2HG2 VAL 38 2HG2 VAL 38 2.666 -5.469 6.085 268 3HG2 VAL 38 3HG2 VAL 38 4.351 -6.030 5.835 269 H LEU 39 H LEU 39 4.383 -2.734 1.631 270 HA LEU 39 HA LEU 39 6.042 -0.515 2.555 271 1HB LEU 39 2HB LEU 39 4.971 -1.396 -0.106 272 2HB LEU 39 1HB LEU 39 5.575 0.266 0.067 273 HG LEU 39 HG LEU 39 7.311 -2.139 0.853 274 1HD1 LEU 39 1HD1 LEU 39 8.401 -1.999 -1.374 275 2HD1 LEU 39 2HD1 LEU 39 7.294 -0.656 -1.849 276 3HD1 LEU 39 3HD1 LEU 39 6.628 -2.322 -1.584 277 1HD2 LEU 39 1HD2 LEU 39 8.040 0.108 1.730 278 2HD2 LEU 39 2HD2 LEU 39 8.042 0.754 0.044 279 3HD2 LEU 39 3HD2 LEU 39 9.198 -0.539 0.507 280 H THR 40 H THR 40 5.030 1.049 3.497 281 HA THR 40 HA THR 40 2.174 1.499 2.954 282 HB THR 40 HB THR 40 2.314 2.735 5.215 283 HG1 THR 40 1HG THR 40 4.098 2.478 6.268 284 1HG2 THR 40 1HG2 THR 40 2.538 -0.365 5.115 285 2HG2 THR 40 2HG2 THR 40 1.042 0.576 4.766 286 3HG2 THR 40 3HG2 THR 40 1.759 0.607 6.421 287 H ILE 41 H ILE 41 1.725 3.262 1.921 288 HA ILE 41 HA ILE 41 3.890 5.196 1.514 289 HB ILE 41 HB ILE 41 1.169 4.908 0.240 290 1HG1 ILE 41 2HG1 ILE 41 3.913 4.198 -0.934 291 2HG1 ILE 41 1HG1 ILE 41 2.844 3.001 -0.169 292 1HG2 ILE 41 1HG2 ILE 41 2.017 6.545 -1.425 293 2HG2 ILE 41 2HG2 ILE 41 3.587 6.670 -0.547 294 3HG2 ILE 41 3HG2 ILE 41 2.059 7.282 0.203 295 1HD1 ILE 41 1HD1 ILE 41 2.262 4.601 -2.724 296 2HD1 ILE 41 2HD1 ILE 41 0.956 3.773 -1.793 297 3HD1 ILE 41 3HD1 ILE 41 2.310 2.809 -2.459 298 H THR 42 H THR 42 3.987 6.802 2.974 299 HA THR 42 HA THR 42 1.444 7.509 4.285 300 HB THR 42 HB THR 42 2.385 7.753 6.350 301 HG1 THR 42 1HG THR 42 4.828 7.390 5.027 302 1HG2 THR 42 1HG2 THR 42 3.487 5.120 5.173 303 2HG2 THR 42 2HG2 THR 42 1.738 5.411 5.493 304 3HG2 THR 42 3HG2 THR 42 2.927 5.417 6.851 305 H PHE 43 H PHE 43 0.740 9.482 4.289 306 HA PHE 43 HA PHE 43 2.710 11.603 3.894 307 1HB PHE 43 2HB PHE 43 0.740 12.849 2.709 308 2HB PHE 43 1HB PHE 43 1.742 11.659 1.842 309 HD1 PHE 43 1HD PHE 43 -1.558 12.239 3.321 310 HD2 PHE 43 2HD PHE 43 0.922 9.553 1.168 311 HE1 PHE 43 1HE PHE 43 -3.528 10.903 2.727 312 HE2 PHE 43 2HE PHE 43 -1.032 8.201 0.584 313 HZ PHE 43 HZ PHE 43 -3.253 8.853 1.375 314 H GLU 44 H GLU 44 1.898 13.779 4.534 315 HA GLU 44 HA GLU 44 1.919 13.821 7.165 316 1HB GLU 44 2HB GLU 44 2.074 16.142 6.777 317 2HB GLU 44 1HB GLU 44 2.632 15.319 5.312 318 1HG GLU 44 2HG GLU 44 1.460 16.841 4.230 319 2HG GLU 44 1HG GLU 44 0.095 15.707 4.424 320 H ASN 45 H ASN 45 -0.927 14.024 5.211 321 HA ASN 45 HA ASN 45 -2.726 14.769 7.243 322 1HB ASN 45 2HB ASN 45 -3.184 13.292 4.578 323 2HB ASN 45 1HB ASN 45 -4.512 13.879 5.652 324 1HD2 ASN 45 1HD2 ASN 45 -2.450 14.880 3.031 325 2HD2 ASN 45 2HD2 ASN 45 -2.694 16.577 3.263 326 H GLY 46 H GLY 46 -1.187 11.715 6.817 327 1HA GLY 46 2HA GLY 46 -1.142 10.170 8.386 328 2HA GLY 46 1HA GLY 46 -2.517 10.944 9.224 329 H SER 47 H SER 47 -3.087 10.194 5.956 330 HA SER 47 HA SER 47 -4.406 7.650 6.631 331 1HB SER 47 2HB SER 47 -4.786 9.509 4.228 332 2HB SER 47 1HB SER 47 -5.471 7.849 4.356 333 HG SER 47 HG SER 47 -6.043 10.096 5.990 334 H LYS 48 H LYS 48 -3.916 5.795 5.236 335 HA LYS 48 HA LYS 48 -1.200 6.032 4.144 336 1HB LYS 48 2HB LYS 48 -2.337 3.818 5.933 337 2HB LYS 48 1HB LYS 48 -0.745 3.817 5.130 338 1HG LYS 48 2HG LYS 48 -0.099 4.383 7.228 339 2HG LYS 48 1HG LYS 48 -0.235 5.983 6.453 340 1HD LYS 48 2HD LYS 48 -1.142 6.178 8.654 341 2HD LYS 48 1HD LYS 48 -2.514 6.264 7.531 342 1HE LYS 48 2HE LYS 48 -3.185 4.961 9.439 343 2HE LYS 48 1HE LYS 48 -3.047 3.809 8.055 344 1HZ LYS 48 1HZ LYS 48 -2.033 3.162 10.278 345 2HZ LYS 48 2HZ LYS 48 -0.784 4.262 9.923 346 3HZ LYS 48 3HZ LYS 48 -1.041 2.967 8.923 347 H ILE 49 H ILE 49 -0.673 4.612 2.476 348 HA ILE 49 HA ILE 49 -2.897 2.967 1.449 349 HB ILE 49 HB ILE 49 -0.308 3.319 -0.024 350 1HG1 ILE 49 2HG1 ILE 49 -0.808 5.605 0.481 351 2HG1 ILE 49 1HG1 ILE 49 -1.029 5.225 -1.247 352 1HG2 ILE 49 1HG2 ILE 49 -3.242 2.884 -0.862 353 2HG2 ILE 49 2HG2 ILE 49 -1.957 1.628 -0.784 354 3HG2 ILE 49 3HG2 ILE 49 -1.832 2.976 -1.972 355 1HD1 ILE 49 1HD1 ILE 49 -3.515 5.179 -0.974 356 2HD1 ILE 49 2HD1 ILE 49 -2.814 6.760 -0.491 357 3HD1 ILE 49 3HD1 ILE 49 -3.327 5.591 0.779 358 H ILE 50 H ILE 50 -2.598 0.722 1.583 359 HA ILE 50 HA ILE 50 -0.096 -0.084 2.930 360 HB ILE 50 HB ILE 50 -2.635 -1.618 3.047 361 1HG1 ILE 50 2HG1 ILE 50 -3.288 0.637 3.878 362 2HG1 ILE 50 1HG1 ILE 50 -3.302 -0.635 5.114 363 1HG2 ILE 50 1HG2 ILE 50 -0.167 -1.475 4.866 364 2HG2 ILE 50 2HG2 ILE 50 -0.635 -2.808 3.730 365 3HG2 ILE 50 3HG2 ILE 50 -1.662 -2.438 5.160 366 1HD1 ILE 50 1HD1 ILE 50 -1.070 1.480 4.796 367 2HD1 ILE 50 2HD1 ILE 50 -1.137 0.202 6.068 368 3HD1 ILE 50 3HD1 ILE 50 -2.387 1.489 6.025 369 H ILE 51 H ILE 51 1.183 -1.220 1.594 370 HA ILE 51 HA ILE 51 -0.076 -3.031 -0.345 371 HB ILE 51 HB ILE 51 2.498 -1.558 -0.799 372 1HG1 ILE 51 2HG1 ILE 51 -0.437 -0.878 -1.286 373 2HG1 ILE 51 1HG1 ILE 51 0.842 0.117 -0.558 374 1HG2 ILE 51 1HG2 ILE 51 0.519 -3.121 -2.603 375 2HG2 ILE 51 2HG2 ILE 51 2.092 -3.777 -2.016 376 3HG2 ILE 51 3HG2 ILE 51 2.082 -2.370 -3.116 377 1HD1 ILE 51 1HD1 ILE 51 0.555 -0.697 -3.521 378 2HD1 ILE 51 2HD1 ILE 51 1.977 0.216 -2.871 379 3HD1 ILE 51 3HD1 ILE 51 0.324 0.957 -2.840 380 H ASN 52 H ASN 52 0.206 -4.948 -0.044 381 HA ASN 52 HA ASN 52 2.702 -6.139 0.759 382 1HB ASN 52 2HB ASN 52 1.357 -5.796 2.856 383 2HB ASN 52 1HB ASN 52 0.010 -6.745 2.151 384 1HD2 ASN 52 1HD2 ASN 52 0.225 -8.203 4.036 385 2HD2 ASN 52 2HD2 ASN 52 1.526 -9.352 4.098 386 H ARG 53 H ARG 53 2.375 -8.551 0.533 387 HA ARG 53 HA ARG 53 0.697 -9.355 -1.714 388 1HB ARG 53 2HB ARG 53 2.310 -8.099 -2.875 389 2HB ARG 53 1HB ARG 53 3.583 -8.529 -1.752 390 1HG ARG 53 2HG ARG 53 2.292 -10.562 -3.698 391 2HG ARG 53 1HG ARG 53 3.600 -9.476 -4.234 392 1HD ARG 53 2HD ARG 53 3.930 -11.659 -2.064 393 2HD ARG 53 1HD ARG 53 4.414 -11.746 -3.778 394 HE ARG 53 HE ARG 53 6.101 -10.055 -3.438 395 1HH1 ARG 53 1HH1 ARG 53 4.487 -10.747 -0.309 396 2HH1 ARG 53 2HH1 ARG 53 5.780 -10.074 0.574 397 1HH2 ARG 53 1HH2 ARG 53 7.931 -9.571 -2.162 398 2HH2 ARG 53 2HH2 ARG 53 7.822 -9.687 -0.445 399 H GLN 54 H GLN 54 0.189 -11.311 -1.678 400 HA GLN 54 HA GLN 54 1.416 -13.105 0.262 401 1HB GLN 54 2HB GLN 54 -1.107 -12.922 -1.404 402 2HB GLN 54 1HB GLN 54 -0.628 -14.518 -0.793 403 1HG GLN 54 2HG GLN 54 -0.989 -12.024 1.025 404 2HG GLN 54 1HG GLN 54 -2.345 -13.119 0.591 405 1HE2 GLN 54 1HE2 GLN 54 -2.077 -13.025 3.176 406 2HE2 GLN 54 2HE2 GLN 54 -1.258 -14.431 3.803 407 H GLU 55 H GLU 55 2.819 -14.527 -0.333 408 HA GLU 55 HA GLU 55 3.893 -14.605 -2.882 409 1HB GLU 55 2HB GLU 55 4.338 -16.650 -0.677 410 2HB GLU 55 1HB GLU 55 5.329 -16.414 -2.155 411 1HG GLU 55 2HG GLU 55 5.826 -14.032 -1.366 412 2HG GLU 55 1HG GLU 55 4.969 -14.420 0.168 413 HA PRO 56 HA PRO 56 1.684 -18.312 -4.339 414 1HB PRO 56 2HB PRO 56 -0.406 -19.495 -3.034 415 2HB PRO 56 1HB PRO 56 1.299 -19.913 -2.635 416 1HG PRO 56 2HG PRO 56 -0.491 -17.883 -1.182 417 2HG PRO 56 1HG PRO 56 0.452 -19.254 -0.449 418 1HD PRO 56 2HD PRO 56 1.411 -16.641 -0.606 419 2HD PRO 56 1HD PRO 56 2.533 -18.072 -0.760 420 H LEU 57 H LEU 57 -0.252 -18.225 -5.739 421 HA LEU 57 HA LEU 57 -1.566 -17.203 -6.893 422 1HB LEU 57 2HB LEU 57 -2.663 -15.744 -4.489 423 2HB LEU 57 1HB LEU 57 -3.274 -15.596 -6.168 424 HG LEU 57 HG LEU 57 -3.278 -18.244 -6.089 425 1HD1 LEU 57 1HD1 LEU 57 -2.405 -18.554 -3.782 426 2HD1 LEU 57 2HD1 LEU 57 -4.116 -19.097 -3.864 427 3HD1 LEU 57 3HD1 LEU 57 -3.711 -17.503 -3.119 428 1HD2 LEU 57 1HD2 LEU 57 -5.233 -16.770 -6.565 429 2HD2 LEU 57 2HD2 LEU 57 -5.450 -16.458 -4.801 430 3HD2 LEU 57 3HD2 LEU 57 -5.711 -18.118 -5.469 431 H HIS 58 H HIS 58 -1.804 -15.680 -8.246 432 HA HIS 58 HA HIS 58 0.541 -13.984 -8.560 433 1HB HIS 58 2HB HIS 58 -1.793 -14.388 -10.462 434 2HB HIS 58 1HB HIS 58 -0.185 -13.687 -10.856 435 HD1 HIS 58 1HD HIS 58 -0.922 -15.786 -12.613 436 HD2 HIS 58 2HD HIS 58 0.743 -16.799 -8.896 437 HE1 HIS 58 1HE HIS 58 -0.104 -18.164 -12.793 438 H GLN 59 H GLN 59 -1.074 -12.741 -6.455 439 HA GLN 59 HA GLN 59 -2.144 -10.461 -7.896 440 1HB GLN 59 2HB GLN 59 -4.154 -10.461 -6.376 441 2HB GLN 59 1HB GLN 59 -4.126 -11.680 -7.659 442 1HG GLN 59 2HG GLN 59 -3.361 -13.432 -6.002 443 2HG GLN 59 1HG GLN 59 -3.344 -12.195 -4.706 444 1HE2 GLN 59 1HE2 GLN 59 -4.985 -12.794 -3.364 445 2HE2 GLN 59 2HE2 GLN 59 -6.624 -13.104 -3.856 446 H VAL 60 H VAL 60 -2.170 -8.603 -6.751 447 HA VAL 60 HA VAL 60 -0.548 -8.620 -4.264 448 HB VAL 60 HB VAL 60 -0.796 -6.554 -6.450 449 1HG1 VAL 60 1HG1 VAL 60 -0.424 -5.348 -4.297 450 2HG1 VAL 60 2HG1 VAL 60 1.105 -5.386 -5.211 451 3HG1 VAL 60 3HG1 VAL 60 0.873 -6.519 -3.829 452 1HG2 VAL 60 1HG2 VAL 60 0.641 -8.405 -7.169 453 2HG2 VAL 60 2HG2 VAL 60 1.540 -8.382 -5.589 454 3HG2 VAL 60 3HG2 VAL 60 1.681 -7.005 -6.742 455 H TRP 61 H TRP 61 -1.276 -6.962 -2.583 456 HA TRP 61 HA TRP 61 -4.087 -6.319 -3.053 457 1HB TRP 61 2HB TRP 61 -4.640 -6.690 -1.020 458 2HB TRP 61 1HB TRP 61 -3.265 -7.832 -1.077 459 HD1 TRP 61 HD TRP 61 -1.138 -5.349 -0.458 460 HE1 TRP 61 1HE TRP 61 -1.428 -3.885 1.680 461 HE3 TRP 61 3HE TRP 61 -5.576 -7.097 1.178 462 HZ2 TRP 61 2HZ TRP 61 -2.888 -4.147 4.125 463 HZ3 TRP 61 3HZ TRP 61 -6.349 -6.514 3.424 464 HH2 TRP 61 HH TRP 61 -5.031 -5.060 4.871 465 H LEU 62 H LEU 62 -4.970 -4.323 -2.572 466 HA LEU 62 HA LEU 62 -3.079 -2.181 -1.918 467 1HB LEU 62 2HB LEU 62 -5.487 -2.144 -3.834 468 2HB LEU 62 1HB LEU 62 -4.745 -0.650 -3.168 469 HG LEU 62 HG LEU 62 -3.355 -2.674 -4.981 470 1HD1 LEU 62 1HD1 LEU 62 -3.560 -0.888 -6.728 471 2HD1 LEU 62 2HD1 LEU 62 -4.503 0.133 -5.578 472 3HD1 LEU 62 3HD1 LEU 62 -5.175 -1.438 -6.154 473 1HD2 LEU 62 1HD2 LEU 62 -1.591 -0.880 -5.208 474 2HD2 LEU 62 2HD2 LEU 62 -1.698 -1.536 -3.537 475 3HD2 LEU 62 3HD2 LEU 62 -2.419 0.075 -3.922 476 H ALA 63 H ALA 63 -3.646 -1.994 0.276 477 HA ALA 63 HA ALA 63 -6.521 -1.535 0.691 478 1HB ALA 63 1HB ALA 63 -4.524 -1.688 2.950 479 2HB ALA 63 2HB ALA 63 -5.512 -3.070 2.335 480 3HB ALA 63 3HB ALA 63 -6.313 -1.613 3.022 481 H THR 64 H THR 64 -7.241 0.311 1.732 482 HA THR 64 HA THR 64 -5.980 2.696 0.684 483 HB THR 64 HB THR 64 -7.795 3.101 -0.954 484 HG1 THR 64 1HG THR 64 -9.069 1.329 -1.516 485 1HG2 THR 64 1HG2 THR 64 -5.615 1.973 -1.646 486 2HG2 THR 64 2HG2 THR 64 -7.033 1.648 -2.703 487 3HG2 THR 64 3HG2 THR 64 -6.476 0.394 -1.539 488 H LYS 65 H LYS 65 -8.244 4.270 0.433 489 HA LYS 65 HA LYS 65 -8.996 4.835 3.036 490 1HB LYS 65 2HB LYS 65 -8.966 6.174 0.746 491 2HB LYS 65 1HB LYS 65 -10.651 5.660 0.602 492 1HG LYS 65 2HG LYS 65 -9.437 7.147 3.020 493 2HG LYS 65 1HG LYS 65 -10.189 7.948 1.610 494 1HD LYS 65 2HD LYS 65 -12.356 6.792 2.088 495 2HD LYS 65 1HD LYS 65 -11.656 6.115 3.589 496 1HE LYS 65 2HE LYS 65 -11.880 9.139 2.976 497 2HE LYS 65 1HE LYS 65 -13.051 8.184 3.975 498 1HZ LYS 65 1HZ LYS 65 -11.218 7.602 5.438 499 2HZ LYS 65 2HZ LYS 65 -11.433 9.269 5.369 500 3HZ LYS 65 3HZ LYS 65 -10.147 8.587 4.550 501 H GLN 66 H GLN 66 -10.669 3.139 0.389 502 HA GLN 66 HA GLN 66 -13.122 2.990 1.778 503 1HB GLN 66 2HB GLN 66 -12.729 3.285 -0.660 504 2HB GLN 66 1HB GLN 66 -12.086 1.616 -0.746 505 1HG GLN 66 2HG GLN 66 -14.343 0.708 -0.141 506 2HG GLN 66 1HG GLN 66 -14.962 2.382 0.121 507 1HE2 GLN 66 1HE2 GLN 66 -16.222 2.968 -1.597 508 2HE2 GLN 66 2HE2 GLN 66 -15.896 2.592 -3.278 509 H GLY 67 H GLY 67 -10.374 0.842 1.630 510 1HA GLY 67 2HA GLY 67 -10.781 -0.652 3.698 511 2HA GLY 67 1HA GLY 67 -11.949 -1.429 2.561 512 H GLY 68 H GLY 68 -10.782 -1.441 0.238 513 1HA GLY 68 2HA GLY 68 -8.492 -1.697 -0.585 514 2HA GLY 68 1HA GLY 68 -8.306 -3.009 0.630 515 H TYR 69 H TYR 69 -7.657 -3.354 -1.978 516 HA TYR 69 HA TYR 69 -9.673 -5.223 -2.979 517 1HB TYR 69 2HB TYR 69 -7.836 -3.589 -4.798 518 2HB TYR 69 1HB TYR 69 -9.433 -4.321 -5.161 519 HD1 TYR 69 1HD TYR 69 -11.419 -3.227 -3.730 520 HD2 TYR 69 2HD TYR 69 -7.677 -1.373 -4.497 521 HE1 TYR 69 1HE TYR 69 -12.399 -1.053 -3.217 522 HE2 TYR 69 2HE TYR 69 -8.652 0.809 -3.985 523 HH TYR 69 HH TYR 69 -12.065 1.165 -3.134 524 H HIS 70 H HIS 70 -8.567 -7.036 -4.327 525 HA HIS 70 HA HIS 70 -5.672 -6.761 -4.269 526 1HB HIS 70 2HB HIS 70 -5.376 -9.110 -4.529 527 2HB HIS 70 1HB HIS 70 -6.184 -8.760 -2.974 528 HD1 HIS 70 1HD HIS 70 -7.221 -10.029 -6.526 529 HD2 HIS 70 2HD HIS 70 -8.308 -10.381 -2.468 530 HE1 HIS 70 1HE HIS 70 -9.041 -11.703 -6.393 531 H PHE 71 H PHE 71 -4.632 -7.540 -6.254 532 HA PHE 71 HA PHE 71 -6.454 -7.111 -8.515 533 1HB PHE 71 2HB PHE 71 -5.200 -5.364 -9.333 534 2HB PHE 71 1HB PHE 71 -5.617 -4.996 -7.605 535 HD1 PHE 71 1HD PHE 71 -2.992 -5.778 -9.950 536 HD2 PHE 71 2HD PHE 71 -3.906 -4.629 -5.986 537 HE1 PHE 71 1HE PHE 71 -0.688 -4.901 -9.688 538 HE2 PHE 71 2HE PHE 71 -1.626 -3.744 -5.713 539 HZ PHE 71 HZ PHE 71 -0.039 -3.845 -7.568 540 H ASP 72 H ASP 72 -6.005 -7.817 -10.470 541 HA ASP 72 HA ASP 72 -3.985 -9.940 -10.610 542 1HB ASP 72 2HB ASP 72 -6.901 -9.807 -11.614 543 2HB ASP 72 1HB ASP 72 -5.742 -11.114 -12.063 544 H LEU 73 H LEU 73 -3.847 -10.645 -13.086 545 HA LEU 73 HA LEU 73 -3.304 -8.150 -14.569 546 1HB LEU 73 2HB LEU 73 -1.373 -9.530 -13.719 547 2HB LEU 73 1HB LEU 73 -1.959 -10.881 -14.723 548 HG LEU 73 HG LEU 73 -1.689 -9.333 -16.768 549 1HD1 LEU 73 1HD1 LEU 73 -0.191 -7.596 -14.696 550 2HD1 LEU 73 2HD1 LEU 73 -1.677 -7.104 -15.590 551 3HD1 LEU 73 3HD1 LEU 73 -0.129 -7.371 -16.478 552 1HD2 LEU 73 1HD2 LEU 73 0.811 -9.962 -15.083 553 2HD2 LEU 73 2HD2 LEU 73 0.782 -9.624 -16.854 554 3HD2 LEU 73 3HD2 LEU 73 -0.043 -11.091 -16.210 555 H LYS 74 H LYS 74 -4.932 -7.808 -15.990 556 HA LYS 74 HA LYS 74 -6.080 -9.817 -17.597 557 1HB LYS 74 2HB LYS 74 -5.886 -6.820 -17.507 558 2HB LYS 74 1HB LYS 74 -6.333 -7.500 -19.085 559 1HG LYS 74 2HG LYS 74 -7.822 -8.394 -16.579 560 2HG LYS 74 1HG LYS 74 -8.206 -6.819 -17.335 561 1HD LYS 74 2HD LYS 74 -8.214 -9.471 -18.862 562 2HD LYS 74 1HD LYS 74 -9.653 -8.800 -18.030 563 1HE LYS 74 2HE LYS 74 -9.624 -6.766 -19.463 564 2HE LYS 74 1HE LYS 74 -8.116 -7.330 -20.274 565 1HZ LYS 74 1HZ LYS 74 -9.402 -9.362 -20.897 566 2HZ LYS 74 2HZ LYS 74 -9.871 -7.913 -21.649 567 3HZ LYS 74 3HZ LYS 74 -10.820 -8.581 -20.437 568 H GLY 75 H GLY 75 -3.298 -7.678 -18.001 569 1HA GLY 75 2HA GLY 75 -1.717 -9.296 -19.393 570 2HA GLY 75 1HA GLY 75 -2.746 -8.562 -20.685 571 H ASP 76 H ASP 76 -2.608 -6.327 -21.089 572 HA ASP 76 HA ASP 76 -0.157 -5.111 -20.174 573 1HB ASP 76 2HB ASP 76 -1.065 -5.319 -22.609 574 2HB ASP 76 1HB ASP 76 -2.193 -3.986 -22.185 575 H GLU 77 H GLU 77 -2.257 -5.486 -18.237 576 HA GLU 77 HA GLU 77 -2.485 -2.967 -17.007 577 1HB GLU 77 2HB GLU 77 -5.014 -2.882 -17.038 578 2HB GLU 77 1HB GLU 77 -4.111 -2.289 -18.435 579 1HG GLU 77 2HG GLU 77 -4.578 -4.781 -19.424 580 2HG GLU 77 1HG GLU 77 -5.929 -4.725 -18.245 581 H TRP 78 H TRP 78 -2.268 -3.460 -14.995 582 HA TRP 78 HA TRP 78 -3.297 -5.969 -13.951 583 1HB TRP 78 2HB TRP 78 -1.952 -3.519 -12.687 584 2HB TRP 78 1HB TRP 78 -2.665 -4.856 -11.728 585 HD1 TRP 78 HD TRP 78 0.448 -4.045 -13.843 586 HE1 TRP 78 1HE TRP 78 2.215 -5.845 -13.306 587 HE3 TRP 78 3HE TRP 78 -2.484 -7.270 -11.242 588 HZ2 TRP 78 2HZ TRP 78 2.318 -8.285 -11.879 589 HZ3 TRP 78 3HZ TRP 78 -1.490 -9.276 -10.278 590 HH2 TRP 78 HH TRP 78 0.865 -9.781 -10.585 591 H ILE 79 H ILE 79 -5.458 -6.145 -13.101 592 HA ILE 79 HA ILE 79 -6.896 -3.632 -12.955 593 HB ILE 79 HB ILE 79 -8.646 -4.433 -14.041 594 1HG1 ILE 79 2HG1 ILE 79 -9.075 -6.585 -13.213 595 2HG1 ILE 79 1HG1 ILE 79 -8.981 -6.671 -14.982 596 1HG2 ILE 79 1HG2 ILE 79 -6.276 -5.472 -15.672 597 2HG2 ILE 79 2HG2 ILE 79 -6.749 -3.742 -15.469 598 3HG2 ILE 79 3HG2 ILE 79 -7.870 -4.892 -16.274 599 1HD1 ILE 79 1HD1 ILE 79 -7.908 -8.665 -14.167 600 2HD1 ILE 79 2HD1 ILE 79 -6.954 -7.768 -12.947 601 3HD1 ILE 79 3HD1 ILE 79 -6.558 -7.592 -14.701 602 H CYS 80 H CYS 80 -8.339 -3.360 -11.364 603 HA CYS 80 HA CYS 80 -7.654 -4.846 -9.097 604 1HB CYS 80 2HB CYS 80 -9.389 -2.425 -9.625 605 2HB CYS 80 1HB CYS 80 -9.493 -3.194 -8.039 606 HG CYS 80 HG CYS 80 -6.580 -2.497 -9.478 607 H ASP 81 H ASP 81 -8.753 -6.640 -8.184 608 HA ASP 81 HA ASP 81 -11.094 -7.505 -9.550 609 1HB ASP 81 2HB ASP 81 -9.091 -8.916 -8.989 610 2HB ASP 81 1HB ASP 81 -9.487 -8.734 -7.247 611 H ARG 82 H ARG 82 -12.067 -5.349 -8.539 612 HA ARG 82 HA ARG 82 -14.111 -6.259 -6.853 613 1HB ARG 82 2HB ARG 82 -12.177 -5.918 -5.157 614 2HB ARG 82 1HB ARG 82 -12.228 -4.197 -5.569 615 1HG ARG 82 2HG ARG 82 -13.338 -4.662 -3.472 616 2HG ARG 82 1HG ARG 82 -14.566 -4.074 -4.620 617 1HD ARG 82 2HD ARG 82 -15.549 -6.314 -4.853 618 2HD ARG 82 1HD ARG 82 -14.094 -7.082 -4.120 619 HE ARG 82 HE ARG 82 -14.895 -6.578 -1.986 620 1HH1 ARG 82 1HH1 ARG 82 -17.060 -4.760 -4.217 621 2HH1 ARG 82 2HH1 ARG 82 -17.749 -3.895 -2.866 622 1HH2 ARG 82 1HH2 ARG 82 -16.028 -5.473 -0.326 623 2HH2 ARG 82 2HH2 ARG 82 -17.237 -4.314 -0.785 624 H SER 83 H SER 83 -15.531 -5.407 -8.292 625 HA SER 83 HA SER 83 -17.046 -3.995 -8.778 626 1HB SER 83 2HB SER 83 -16.606 -2.915 -6.526 627 2HB SER 83 1HB SER 83 -15.669 -1.666 -7.405 628 HG SER 83 HG SER 83 -17.725 -0.945 -7.266 629 H GLY 84 H GLY 84 -13.852 -2.455 -9.316 630 1HA GLY 84 2HA GLY 84 -14.693 -1.846 -12.033 631 2HA GLY 84 1HA GLY 84 -14.378 -0.468 -10.907 632 H GLU 85 H GLU 85 -13.005 -3.099 -12.824 633 HA GLU 85 HA GLU 85 -10.628 -3.115 -11.456 634 1HB GLU 85 2HB GLU 85 -10.190 -4.975 -12.710 635 2HB GLU 85 1HB GLU 85 -11.925 -4.976 -12.334 636 1HG GLU 85 2HG GLU 85 -12.196 -3.855 -14.773 637 2HG GLU 85 1HG GLU 85 -10.614 -4.627 -15.073 638 H THR 86 H THR 86 -9.260 -1.468 -11.509 639 HA THR 86 HA THR 86 -7.536 -1.525 -13.718 640 HB THR 86 HB THR 86 -8.612 1.275 -12.993 641 HG1 THR 86 1HG THR 86 -9.645 -0.534 -14.723 642 1HG2 THR 86 1HG2 THR 86 -7.495 1.844 -15.205 643 2HG2 THR 86 2HG2 THR 86 -6.953 0.135 -15.366 644 3HG2 THR 86 3HG2 THR 86 -6.299 1.182 -14.046 645 H PHE 87 H PHE 87 -5.431 -1.366 -12.981 646 HA PHE 87 HA PHE 87 -4.905 -0.755 -10.422 647 1HB PHE 87 2HB PHE 87 -3.483 -2.066 -12.016 648 2HB PHE 87 1HB PHE 87 -3.024 -0.564 -12.855 649 HD1 PHE 87 1HD PHE 87 -3.276 -0.822 -9.096 650 HD2 PHE 87 2HD PHE 87 -0.785 -1.015 -12.555 651 HE1 PHE 87 1HE PHE 87 -1.323 -0.794 -7.688 652 HE2 PHE 87 2HE PHE 87 1.189 -1.044 -11.126 653 HZ PHE 87 HZ PHE 87 0.937 -0.997 -8.678 654 H TRP 88 H TRP 88 -3.390 1.401 -12.884 655 HA TRP 88 HA TRP 88 -2.592 3.123 -10.940 656 1HB TRP 88 2HB TRP 88 -2.990 3.599 -13.948 657 2HB TRP 88 1HB TRP 88 -1.944 4.561 -12.856 658 HD1 TRP 88 HD TRP 88 -1.523 2.068 -15.416 659 HE1 TRP 88 1HE TRP 88 0.872 1.133 -15.241 660 HE3 TRP 88 3HE TRP 88 -0.360 3.529 -10.700 661 HZ2 TRP 88 2HZ TRP 88 2.771 0.640 -13.237 662 HZ3 TRP 88 3HZ TRP 88 1.753 2.767 -9.709 663 HH2 TRP 88 HH TRP 88 3.294 1.369 -10.962 664 H ASP 89 H ASP 89 -5.476 2.964 -12.636 665 HA ASP 89 HA ASP 89 -6.328 5.686 -12.213 666 1HB ASP 89 2HB ASP 89 -6.938 3.579 -14.011 667 2HB ASP 89 1HB ASP 89 -8.463 3.800 -13.092 668 H LEU 90 H LEU 90 -7.206 2.468 -10.705 669 HA LEU 90 HA LEU 90 -9.075 3.787 -9.073 670 1HB LEU 90 2HB LEU 90 -9.176 1.380 -9.641 671 2HB LEU 90 1HB LEU 90 -7.703 1.083 -8.684 672 HG LEU 90 HG LEU 90 -8.774 1.825 -6.646 673 1HD1 LEU 90 1HD1 LEU 90 -11.295 2.236 -6.537 674 2HD1 LEU 90 2HD1 LEU 90 -11.328 2.303 -8.329 675 3HD1 LEU 90 3HD1 LEU 90 -10.409 3.542 -7.389 676 1HD2 LEU 90 1HD2 LEU 90 -10.593 0.007 -6.449 677 2HD2 LEU 90 2HD2 LEU 90 -9.029 -0.559 -7.133 678 3HD2 LEU 90 3HD2 LEU 90 -10.444 -0.247 -8.222 679 H LEU 91 H LEU 91 -5.793 2.701 -8.727 680 HA LEU 91 HA LEU 91 -5.102 3.539 -6.223 681 1HB LEU 91 2HB LEU 91 -3.755 2.256 -7.965 682 2HB LEU 91 1HB LEU 91 -3.390 3.815 -8.745 683 HG LEU 91 HG LEU 91 -2.254 4.535 -6.574 684 1HD1 LEU 91 1HD1 LEU 91 -2.621 1.559 -5.818 685 2HD1 LEU 91 2HD1 LEU 91 -3.415 2.944 -4.974 686 3HD1 LEU 91 3HD1 LEU 91 -1.626 2.769 -4.927 687 1HD2 LEU 91 1HD2 LEU 91 -0.982 3.625 -8.521 688 2HD2 LEU 91 2HD2 LEU 91 -1.239 1.945 -7.924 689 3HD2 LEU 91 3HD2 LEU 91 -0.233 3.094 -6.967 690 H GLU 92 H GLU 92 -5.101 5.598 -9.159 691 HA GLU 92 HA GLU 92 -4.417 7.979 -7.984 692 1HB GLU 92 2HB GLU 92 -4.510 7.597 -10.389 693 2HB GLU 92 1HB GLU 92 -6.274 7.348 -10.323 694 1HG GLU 92 2HG GLU 92 -6.597 9.751 -9.643 695 2HG GLU 92 1HG GLU 92 -4.819 10.011 -9.762 696 H GLN 93 H GLN 93 -7.717 6.589 -8.328 697 HA GLN 93 HA GLN 93 -9.116 8.683 -7.247 698 1HB GLN 93 2HB GLN 93 -9.903 6.647 -8.501 699 2HB GLN 93 1HB GLN 93 -9.668 5.677 -7.031 700 1HG GLN 93 2HG GLN 93 -11.389 7.072 -5.828 701 2HG GLN 93 1HG GLN 93 -11.652 8.018 -7.338 702 1HE2 GLN 93 1HE2 GLN 93 -13.036 5.563 -5.564 703 2HE2 GLN 93 2HE2 GLN 93 -13.753 4.663 -6.865 704 H ALA 94 H ALA 94 -7.872 5.819 -5.570 705 HA ALA 94 HA ALA 94 -8.608 6.419 -2.970 706 1HB ALA 94 1HB ALA 94 -6.790 4.804 -2.374 707 2HB ALA 94 2HB ALA 94 -6.207 4.881 -4.078 708 3HB ALA 94 3HB ALA 94 -7.836 4.220 -3.717 709 H ALA 95 H ALA 95 -5.515 7.209 -4.638 710 HA ALA 95 HA ALA 95 -4.366 8.472 -2.446 711 1HB ALA 95 1HB ALA 95 -3.134 7.544 -4.422 712 2HB ALA 95 2HB ALA 95 -2.690 9.251 -4.109 713 3HB ALA 95 3HB ALA 95 -3.826 8.834 -5.457 714 H THR 96 H THR 96 -5.958 9.891 -5.302 715 HA THR 96 HA THR 96 -5.852 12.495 -4.750 716 HB THR 96 HB THR 96 -8.255 11.009 -5.878 717 HG1 THR 96 1HG THR 96 -6.449 10.693 -7.084 718 1HG2 THR 96 1HG2 THR 96 -8.944 13.328 -5.292 719 2HG2 THR 96 2HG2 THR 96 -8.676 13.238 -7.053 720 3HG2 THR 96 3HG2 THR 96 -7.423 13.992 -6.013 721 H GLN 97 H GLN 97 -8.433 10.321 -3.477 722 HA GLN 97 HA GLN 97 -9.600 12.514 -2.109 723 1HB GLN 97 2HB GLN 97 -11.218 11.059 -1.283 724 2HB GLN 97 1HB GLN 97 -10.823 10.559 -2.949 725 1HG GLN 97 2HG GLN 97 -9.243 8.775 -1.890 726 2HG GLN 97 1HG GLN 97 -10.009 9.155 -0.305 727 1HE2 GLN 97 1HE2 GLN 97 -10.422 7.702 -3.471 728 2HE2 GLN 97 2HE2 GLN 97 -11.935 6.909 -3.121 729 H GLN 98 H GLN 98 -7.303 9.966 -0.982 730 HA GLN 98 HA GLN 98 -7.538 10.771 1.687 731 1HB GLN 98 2HB GLN 98 -5.405 9.216 0.159 732 2HB GLN 98 1HB GLN 98 -5.431 9.410 1.950 733 1HG GLN 98 2HG GLN 98 -7.731 8.456 2.041 734 2HG GLN 98 1HG GLN 98 -7.719 8.149 0.285 735 1HE2 GLN 98 1HE2 GLN 98 -6.028 6.715 -0.581 736 2HE2 GLN 98 2HE2 GLN 98 -5.379 5.436 0.429 737 H ALA 99 H ALA 99 -5.172 11.757 -0.824 738 HA ALA 99 HA ALA 99 -3.717 13.330 1.079 739 1HB ALA 99 1HB ALA 99 -2.614 12.132 -0.803 740 2HB ALA 99 2HB ALA 99 -2.342 13.905 -0.924 741 3HB ALA 99 3HB ALA 99 -3.568 13.097 -1.982 742 H GLY 100 H GLY 100 -6.072 14.004 -1.525 743 1HA GLY 100 2HA GLY 100 -7.383 15.822 -1.705 744 2HA GLY 100 1HA GLY 100 -6.437 16.664 -0.435 745 H GLU 101 H GLU 101 -5.438 15.177 -3.523 746 HA GLU 101 HA GLU 101 -4.894 17.634 -4.843 747 1HB GLU 101 2HB GLU 101 -2.893 17.653 -3.424 748 2HB GLU 101 1HB GLU 101 -2.718 15.898 -3.586 749 1HG GLU 101 2HG GLU 101 -0.937 16.992 -4.772 750 2HG GLU 101 1HG GLU 101 -1.966 16.116 -5.930 751 H THR 102 H THR 102 -3.990 16.902 -7.064 752 HA THR 102 HA THR 102 -5.218 14.364 -7.798 753 HB THR 102 HB THR 102 -3.597 16.216 -9.565 754 HG1 THR 102 1HG THR 102 -5.497 17.156 -8.988 755 1HG2 THR 102 1HG2 THR 102 -3.622 13.822 -10.394 756 2HG2 THR 102 2HG2 THR 102 -4.712 14.829 -11.375 757 3HG2 THR 102 3HG2 THR 102 -5.401 13.746 -10.114 758 H VAL 103 H VAL 103 -3.985 12.944 -6.499 759 HA VAL 103 HA VAL 103 -1.129 12.836 -7.073 760 HB VAL 103 HB VAL 103 -2.717 11.118 -5.222 761 1HG1 VAL 103 1HG1 VAL 103 0.314 11.796 -5.447 762 2HG1 VAL 103 2HG1 VAL 103 -0.440 10.211 -5.855 763 3HG1 VAL 103 3HG1 VAL 103 -0.428 10.784 -4.157 764 1HG2 VAL 103 1HG2 VAL 103 -1.735 12.690 -3.423 765 2HG2 VAL 103 2HG2 VAL 103 -3.017 13.431 -4.440 766 3HG2 VAL 103 3HG2 VAL 103 -1.284 13.825 -4.751 767 H SER 104 H SER 104 -1.331 12.325 -9.153 768 HA SER 104 HA SER 104 -2.423 9.758 -9.983 769 1HB SER 104 2HB SER 104 -1.992 10.591 -12.301 770 2HB SER 104 1HB SER 104 -2.988 11.720 -11.340 771 HG SER 104 HG SER 104 -1.268 12.707 -12.521 772 H PHE 105 H PHE 105 -1.125 8.389 -11.529 773 HA PHE 105 HA PHE 105 1.778 8.614 -11.134 774 1HB PHE 105 2HB PHE 105 -0.148 6.324 -11.843 775 2HB PHE 105 1HB PHE 105 1.564 6.309 -12.414 776 HD1 PHE 105 1HD PHE 105 -0.511 6.488 -9.323 777 HD2 PHE 105 2HD PHE 105 3.293 5.749 -11.058 778 HE1 PHE 105 1HE PHE 105 0.290 5.610 -7.184 779 HE2 PHE 105 2HE PHE 105 4.102 4.860 -8.930 780 HZ PHE 105 HZ PHE 105 2.595 4.789 -6.980 781 H ARG 106 H ARG 106 -0.945 8.956 -13.308 782 HA ARG 106 HA ARG 106 0.836 8.954 -15.632 783 1HB ARG 106 2HB ARG 106 -2.174 8.631 -15.243 784 2HB ARG 106 1HB ARG 106 -1.383 8.682 -16.842 785 1HG ARG 106 2HG ARG 106 -0.679 6.606 -14.672 786 2HG ARG 106 1HG ARG 106 -1.984 6.356 -15.855 787 1HD ARG 106 2HD ARG 106 0.954 6.876 -16.690 788 2HD ARG 106 1HD ARG 106 0.214 5.244 -16.449 789 HE ARG 106 HE ARG 106 -1.188 7.234 -18.239 790 1HH1 ARG 106 1HH1 ARG 106 0.501 4.082 -18.171 791 2HH1 ARG 106 2HH1 ARG 106 -0.558 3.408 -19.350 792 1HH2 ARG 106 1HH2 ARG 106 -2.376 6.422 -19.785 793 2HH2 ARG 106 2HH2 ARG 106 -2.270 4.744 -20.271 Start of MODEL 16 1 HA MET 1 HA MET 1 3.175 -22.327 -11.957 2 1HB MET 1 2HB MET 1 1.842 -20.980 -9.533 3 2HB MET 1 1HB MET 1 1.172 -20.864 -11.195 4 1HG MET 1 2HG MET 1 1.596 -23.490 -9.675 5 2HG MET 1 1HG MET 1 0.083 -22.549 -9.722 6 1HE MET 1 1HE MET 1 0.026 -25.451 -10.318 7 2HE MET 1 2HE MET 1 -1.059 -25.484 -11.751 8 3HE MET 1 3HE MET 1 -1.358 -24.309 -10.431 9 H ASN 2 H ASN 2 2.702 -19.328 -10.169 10 HA ASN 2 HA ASN 2 4.516 -17.964 -12.059 11 1HB ASN 2 2HB ASN 2 1.759 -17.241 -10.927 12 2HB ASN 2 1HB ASN 2 2.886 -15.975 -11.532 13 1HD2 ASN 2 1HD2 ASN 2 0.749 -18.668 -12.644 14 2HD2 ASN 2 2HD2 ASN 2 1.024 -18.322 -14.312 15 H ASP 3 H ASP 3 5.633 -19.120 -9.825 16 HA ASP 3 HA ASP 3 5.583 -17.410 -7.613 17 1HB ASP 3 2HB ASP 3 7.454 -18.884 -6.824 18 2HB ASP 3 1HB ASP 3 5.918 -19.696 -7.235 19 H SER 4 H SER 4 8.197 -18.006 -9.959 20 HA SER 4 HA SER 4 9.810 -15.897 -9.142 21 1HB SER 4 2HB SER 4 9.491 -17.162 -11.917 22 2HB SER 4 1HB SER 4 10.704 -15.893 -11.555 23 HG SER 4 HG SER 4 11.879 -17.394 -10.932 24 H GLU 5 H GLU 5 7.261 -15.960 -11.601 25 HA GLU 5 HA GLU 5 7.476 -13.443 -12.606 26 1HB GLU 5 2HB GLU 5 5.018 -15.181 -12.108 27 2HB GLU 5 1HB GLU 5 5.019 -13.754 -13.181 28 1HG GLU 5 2HG GLU 5 6.940 -16.146 -13.643 29 2HG GLU 5 1HG GLU 5 5.261 -16.109 -14.253 30 H PHE 6 H PHE 6 5.036 -14.287 -9.988 31 HA PHE 6 HA PHE 6 4.615 -11.599 -9.521 32 1HB PHE 6 2HB PHE 6 3.892 -14.198 -8.174 33 2HB PHE 6 1HB PHE 6 3.778 -12.721 -7.155 34 HD1 PHE 6 1HD PHE 6 2.012 -11.305 -7.339 35 HD2 PHE 6 2HD PHE 6 2.798 -13.972 -10.557 36 HE1 PHE 6 1HE PHE 6 0.084 -10.418 -8.552 37 HE2 PHE 6 2HE PHE 6 0.844 -13.112 -11.751 38 HZ PHE 6 HZ PHE 6 -0.516 -11.322 -10.746 39 H HIS 7 H HIS 7 7.213 -13.573 -8.203 40 HA HIS 7 HA HIS 7 7.859 -11.797 -6.161 41 1HB HIS 7 2HB HIS 7 8.754 -14.212 -6.945 42 2HB HIS 7 1HB HIS 7 10.078 -13.247 -7.644 43 HD1 HIS 7 1HD HIS 7 11.319 -11.675 -5.616 44 HD2 HIS 7 2HD HIS 7 8.850 -14.840 -4.364 45 HE1 HIS 7 1HE HIS 7 11.888 -12.151 -3.231 46 H ARG 8 H ARG 8 9.121 -11.870 -9.544 47 HA ARG 8 HA ARG 8 10.696 -9.580 -9.136 48 1HB ARG 8 2HB ARG 8 9.702 -10.824 -11.749 49 2HB ARG 8 1HB ARG 8 10.993 -9.594 -11.575 50 1HG ARG 8 2HG ARG 8 12.168 -11.318 -10.002 51 2HG ARG 8 1HG ARG 8 11.062 -12.529 -10.719 52 1HD ARG 8 2HD ARG 8 13.106 -10.741 -12.177 53 2HD ARG 8 1HD ARG 8 13.231 -12.527 -11.912 54 HE ARG 8 HE ARG 8 10.929 -12.520 -13.294 55 1HH1 ARG 8 1HH1 ARG 8 14.091 -11.148 -14.089 56 2HH1 ARG 8 2HH1 ARG 8 13.698 -10.956 -15.741 57 1HH2 ARG 8 1HH2 ARG 8 10.324 -11.824 -15.427 58 2HH2 ARG 8 2HH2 ARG 8 11.567 -11.269 -16.494 59 H LEU 9 H LEU 9 7.419 -10.013 -10.510 60 HA LEU 9 HA LEU 9 7.013 -7.413 -11.332 61 1HB LEU 9 2HB LEU 9 5.201 -9.624 -10.267 62 2HB LEU 9 1HB LEU 9 4.534 -8.076 -10.862 63 HG LEU 9 HG LEU 9 6.301 -9.914 -12.569 64 1HD1 LEU 9 1HD1 LEU 9 4.222 -10.719 -13.641 65 2HD1 LEU 9 2HD1 LEU 9 3.219 -9.758 -12.494 66 3HD1 LEU 9 3HD1 LEU 9 4.224 -11.126 -11.888 67 1HD2 LEU 9 1HD2 LEU 9 5.304 -8.633 -14.471 68 2HD2 LEU 9 2HD2 LEU 9 6.217 -7.543 -13.363 69 3HD2 LEU 9 3HD2 LEU 9 4.414 -7.582 -13.316 70 H ALA 10 H ALA 10 6.569 -8.890 -8.119 71 HA ALA 10 HA ALA 10 5.417 -6.681 -6.892 72 1HB ALA 10 1HB ALA 10 7.115 -8.973 -5.732 73 2HB ALA 10 2HB ALA 10 5.323 -8.963 -5.930 74 3HB ALA 10 3HB ALA 10 6.100 -7.838 -4.765 75 H ASP 11 H ASP 11 8.828 -7.728 -7.121 76 HA ASP 11 HA ASP 11 9.949 -5.723 -5.645 77 1HB ASP 11 2HB ASP 11 10.891 -7.905 -6.728 78 2HB ASP 11 1HB ASP 11 11.217 -6.910 -8.182 79 H GLN 12 H GLN 12 9.504 -5.681 -9.215 80 HA GLN 12 HA GLN 12 10.477 -3.079 -9.384 81 1HB GLN 12 2HB GLN 12 9.829 -3.012 -11.665 82 2HB GLN 12 1HB GLN 12 10.594 -4.570 -11.259 83 1HG GLN 12 2HG GLN 12 8.402 -5.719 -11.261 84 2HG GLN 12 1HG GLN 12 7.541 -4.165 -11.548 85 1HE2 GLN 12 1HE2 GLN 12 8.181 -2.931 -13.582 86 2HE2 GLN 12 2HE2 GLN 12 8.489 -3.890 -14.994 87 H LEU 13 H LEU 13 6.997 -4.065 -8.979 88 HA LEU 13 HA LEU 13 6.149 -1.466 -9.412 89 1HB LEU 13 2HB LEU 13 4.093 -2.080 -8.592 90 2HB LEU 13 1HB LEU 13 4.707 -3.389 -9.650 91 HG LEU 13 HG LEU 13 5.325 -4.483 -7.256 92 1HD1 LEU 13 1HD1 LEU 13 2.865 -2.698 -6.649 93 2HD1 LEU 13 2HD1 LEU 13 4.467 -2.561 -5.835 94 3HD1 LEU 13 3HD1 LEU 13 3.461 -4.032 -5.602 95 1HD2 LEU 13 1HD2 LEU 13 3.121 -5.679 -7.360 96 2HD2 LEU 13 2HD2 LEU 13 3.862 -5.505 -8.990 97 3HD2 LEU 13 3HD2 LEU 13 2.503 -4.429 -8.500 98 H TRP 14 H TRP 14 7.051 -3.138 -6.422 99 HA TRP 14 HA TRP 14 6.557 -1.110 -4.653 100 1HB TRP 14 2HB TRP 14 8.757 -3.226 -4.720 101 2HB TRP 14 1HB TRP 14 8.601 -2.102 -3.345 102 HD1 TRP 14 HD TRP 14 5.229 -2.315 -3.233 103 HE1 TRP 14 1HE TRP 14 4.323 -4.443 -2.099 104 HE3 TRP 14 3HE TRP 14 9.374 -5.211 -3.595 105 HZ2 TRP 14 2HZ TRP 14 5.205 -7.069 -1.647 106 HZ3 TRP 14 3HZ TRP 14 9.275 -7.532 -2.831 107 HH2 TRP 14 HH TRP 14 7.231 -8.455 -1.883 108 H LEU 15 H LEU 15 9.661 -1.494 -6.440 109 HA LEU 15 HA LEU 15 10.821 0.770 -5.351 110 1HB LEU 15 2HB LEU 15 11.234 -0.066 -8.265 111 2HB LEU 15 1HB LEU 15 12.362 0.829 -7.204 112 HG LEU 15 HG LEU 15 11.477 -2.070 -6.996 113 1HD1 LEU 15 1HD1 LEU 15 14.210 -0.897 -7.807 114 2HD1 LEU 15 2HD1 LEU 15 12.967 -1.558 -8.936 115 3HD1 LEU 15 3HD1 LEU 15 13.765 -2.647 -7.748 116 1HD2 LEU 15 1HD2 LEU 15 13.263 -2.365 -5.242 117 2HD2 LEU 15 2HD2 LEU 15 12.017 -1.197 -4.694 118 3HD2 LEU 15 3HD2 LEU 15 13.607 -0.594 -5.294 119 H THR 16 H THR 16 8.941 0.395 -8.277 120 HA THR 16 HA THR 16 9.166 3.041 -9.130 121 HB THR 16 HB THR 16 7.038 1.041 -9.926 122 HG1 THR 16 1HG THR 16 8.854 0.153 -10.528 123 1HG2 THR 16 1HG2 THR 16 8.182 3.620 -11.238 124 2HG2 THR 16 2HG2 THR 16 6.489 3.378 -10.689 125 3HG2 THR 16 3HG2 THR 16 7.122 2.423 -12.070 126 H ILE 17 H ILE 17 6.400 1.536 -7.372 127 HA ILE 17 HA ILE 17 4.884 3.843 -7.211 128 HB ILE 17 HB ILE 17 5.122 1.439 -5.401 129 1HG1 ILE 17 2HG1 ILE 17 2.948 2.254 -7.421 130 2HG1 ILE 17 1HG1 ILE 17 4.302 1.161 -7.820 131 1HG2 ILE 17 1HG2 ILE 17 2.929 2.144 -4.428 132 2HG2 ILE 17 2HG2 ILE 17 3.008 3.687 -5.345 133 3HG2 ILE 17 3HG2 ILE 17 4.204 3.317 -4.036 134 1HD1 ILE 17 1HD1 ILE 17 2.378 -0.216 -7.284 135 2HD1 ILE 17 2HD1 ILE 17 2.099 0.639 -5.727 136 3HD1 ILE 17 3HD1 ILE 17 3.567 -0.385 -5.942 137 H GLU 18 H GLU 18 7.467 2.664 -5.031 138 HA GLU 18 HA GLU 18 7.205 4.689 -3.166 139 1HB GLU 18 2HB GLU 18 8.633 2.558 -3.008 140 2HB GLU 18 1HB GLU 18 9.853 3.422 -3.967 141 1HG GLU 18 2HG GLU 18 9.531 5.340 -2.066 142 2HG GLU 18 1HG GLU 18 8.880 3.962 -1.114 143 H GLU 19 H GLU 19 9.278 4.523 -6.066 144 HA GLU 19 HA GLU 19 10.481 6.987 -5.768 145 1HB GLU 19 2HB GLU 19 11.259 5.198 -7.312 146 2HB GLU 19 1HB GLU 19 9.886 5.568 -8.399 147 1HG GLU 19 2HG GLU 19 10.769 7.938 -8.649 148 2HG GLU 19 1HG GLU 19 12.138 7.530 -7.560 149 H ARG 20 H ARG 20 7.461 6.255 -7.564 150 HA ARG 20 HA ARG 20 6.949 8.762 -8.544 151 1HB ARG 20 2HB ARG 20 5.626 6.734 -8.992 152 2HB ARG 20 1HB ARG 20 4.833 6.872 -7.411 153 1HG ARG 20 2HG ARG 20 4.896 9.121 -9.508 154 2HG ARG 20 1HG ARG 20 3.697 7.823 -9.594 155 1HD ARG 20 2HD ARG 20 3.838 9.688 -7.129 156 2HD ARG 20 1HD ARG 20 2.975 10.083 -8.637 157 HE ARG 20 HE ARG 20 2.387 7.519 -7.081 158 1HH1 ARG 20 1HH1 ARG 20 1.164 10.173 -9.138 159 2HH1 ARG 20 2HH1 ARG 20 -0.421 9.525 -9.001 160 1HH2 ARG 20 1HH2 ARG 20 0.284 6.839 -7.123 161 2HH2 ARG 20 2HH2 ARG 20 -0.873 7.796 -8.063 162 H LEU 21 H LEU 21 6.025 7.423 -5.362 163 HA LEU 21 HA LEU 21 4.715 9.789 -4.532 164 1HB LEU 21 2HB LEU 21 5.740 7.315 -3.056 165 2HB LEU 21 1HB LEU 21 4.712 8.561 -2.278 166 HG LEU 21 HG LEU 21 3.850 7.065 -4.814 167 1HD1 LEU 21 1HD1 LEU 21 4.384 5.413 -3.026 168 2HD1 LEU 21 2HD1 LEU 21 2.612 5.502 -3.355 169 3HD1 LEU 21 3HD1 LEU 21 3.301 6.300 -1.885 170 1HD2 LEU 21 1HD2 LEU 21 2.558 9.152 -4.319 171 2HD2 LEU 21 2HD2 LEU 21 2.267 8.578 -2.634 172 3HD2 LEU 21 3HD2 LEU 21 1.549 7.691 -4.025 173 H ASP 22 H ASP 22 7.879 8.367 -3.548 174 HA ASP 22 HA ASP 22 8.487 10.337 -1.756 175 1HB ASP 22 2HB ASP 22 9.389 7.971 -2.001 176 2HB ASP 22 1HB ASP 22 10.422 8.559 -3.355 177 H ASP 23 H ASP 23 9.355 10.221 -5.261 178 HA ASP 23 HA ASP 23 11.041 12.469 -4.987 179 1HB ASP 23 2HB ASP 23 11.224 10.625 -6.731 180 2HB ASP 23 1HB ASP 23 9.800 11.341 -7.552 181 H TRP 24 H TRP 24 7.575 12.151 -5.467 182 HA TRP 24 HA TRP 24 7.302 14.754 -6.574 183 1HB TRP 24 2HB TRP 24 5.672 12.940 -7.017 184 2HB TRP 24 1HB TRP 24 5.247 12.921 -5.281 185 HD1 TRP 24 HD TRP 24 3.087 14.353 -4.796 186 HE1 TRP 24 1HE TRP 24 1.947 16.400 -5.908 187 HE3 TRP 24 3HE TRP 24 6.371 15.175 -8.592 188 HZ2 TRP 24 2HZ TRP 24 2.309 17.996 -8.159 189 HZ3 TRP 24 3HZ TRP 24 5.933 17.008 -10.147 190 HH2 TRP 24 HH TRP 24 3.940 18.384 -9.954 191 H ASP 25 H ASP 25 6.846 16.675 -5.659 192 HA ASP 25 HA ASP 25 6.443 16.813 -2.788 193 1HB ASP 25 2HB ASP 25 8.935 17.005 -3.233 194 2HB ASP 25 1HB ASP 25 8.611 18.423 -4.284 195 H GLY 26 H GLY 26 5.365 18.782 -2.176 196 1HA GLY 26 2HA GLY 26 4.480 20.587 -4.212 197 2HA GLY 26 1HA GLY 26 3.261 19.353 -3.725 198 H ASP 27 H ASP 27 1.863 20.187 -2.369 199 HA ASP 27 HA ASP 27 2.671 22.151 -0.392 200 1HB ASP 27 2HB ASP 27 0.505 22.050 -2.006 201 2HB ASP 27 1HB ASP 27 -0.159 20.989 -0.728 202 H SER 28 H SER 28 1.781 18.853 -0.889 203 HA SER 28 HA SER 28 1.708 18.219 1.955 204 1HB SER 28 2HB SER 28 0.943 15.931 1.141 205 2HB SER 28 1HB SER 28 -0.137 17.297 0.744 206 HG SER 28 HG SER 28 1.629 15.924 -0.980 207 H ASP 29 H ASP 29 2.785 16.137 2.604 208 HA ASP 29 HA ASP 29 5.245 15.643 1.146 209 1HB ASP 29 2HB ASP 29 5.363 17.278 3.252 210 2HB ASP 29 1HB ASP 29 5.251 15.768 4.209 211 H ILE 30 H ILE 30 6.291 13.567 2.654 212 HA ILE 30 HA ILE 30 4.359 11.507 2.437 213 HB ILE 30 HB ILE 30 4.652 12.251 0.115 214 1HG1 ILE 30 2HG1 ILE 30 5.513 10.125 -0.884 215 2HG1 ILE 30 1HG1 ILE 30 5.914 9.524 0.746 216 1HG2 ILE 30 1HG2 ILE 30 6.932 13.259 0.321 217 2HG2 ILE 30 2HG2 ILE 30 6.809 12.101 -1.037 218 3HG2 ILE 30 3HG2 ILE 30 7.646 11.605 0.464 219 1HD1 ILE 30 1HD1 ILE 30 3.098 10.436 -0.195 220 2HD1 ILE 30 2HD1 ILE 30 3.476 9.676 1.395 221 3HD1 ILE 30 3HD1 ILE 30 3.653 8.727 -0.125 222 H ASP 31 H ASP 31 5.078 9.903 3.572 223 HA ASP 31 HA ASP 31 7.878 9.218 3.350 224 1HB ASP 31 2HB ASP 31 7.470 10.563 5.593 225 2HB ASP 31 1HB ASP 31 6.761 9.023 6.185 226 H CYS 32 H CYS 32 7.664 7.361 2.213 227 HA CYS 32 HA CYS 32 5.671 5.455 3.001 228 1HB CYS 32 2HB CYS 32 7.729 5.567 0.731 229 2HB CYS 32 1HB CYS 32 6.559 4.239 0.995 230 HG CYS 32 HG CYS 32 6.129 7.449 0.352 231 H GLU 33 H GLU 33 6.016 3.567 3.926 232 HA GLU 33 HA GLU 33 8.567 3.291 5.348 233 1HB GLU 33 2HB GLU 33 6.723 3.861 6.809 234 2HB GLU 33 1HB GLU 33 5.673 2.628 6.061 235 1HG GLU 33 2HG GLU 33 7.012 0.789 7.022 236 2HG GLU 33 1HG GLU 33 8.240 1.950 7.637 237 H ILE 34 H ILE 34 9.718 1.351 5.251 238 HA ILE 34 HA ILE 34 8.611 -0.686 3.526 239 HB ILE 34 HB ILE 34 10.149 0.410 2.265 240 1HG1 ILE 34 2HG1 ILE 34 12.114 -1.112 2.080 241 2HG1 ILE 34 1HG1 ILE 34 11.666 -1.855 3.641 242 1HG2 ILE 34 1HG2 ILE 34 11.995 0.567 4.737 243 2HG2 ILE 34 2HG2 ILE 34 11.193 1.941 3.879 244 3HG2 ILE 34 3HG2 ILE 34 12.475 1.004 3.062 245 1HD1 ILE 34 1HD1 ILE 34 9.957 -1.830 1.045 246 2HD1 ILE 34 2HD1 ILE 34 9.463 -2.643 2.578 247 3HD1 ILE 34 3HD1 ILE 34 10.894 -3.232 1.658 248 H ASN 35 H ASN 35 8.035 -2.155 4.681 249 HA ASN 35 HA ASN 35 9.736 -3.201 6.867 250 1HB ASN 35 2HB ASN 35 7.449 -2.527 7.552 251 2HB ASN 35 1HB ASN 35 6.747 -3.578 6.292 252 1HD2 ASN 35 1HD2 ASN 35 9.544 -4.561 8.446 253 2HD2 ASN 35 2HD2 ASN 35 8.569 -5.658 9.377 254 H GLY 36 H GLY 36 11.182 -4.062 5.180 255 1HA GLY 36 2HA GLY 36 12.043 -5.890 4.330 256 2HA GLY 36 1HA GLY 36 10.580 -6.795 4.819 257 H GLY 37 H GLY 37 8.756 -6.682 3.419 258 1HA GLY 37 2HA GLY 37 9.151 -5.802 0.681 259 2HA GLY 37 1HA GLY 37 8.759 -7.542 0.976 260 H VAL 38 H VAL 38 7.695 -4.837 2.965 261 HA VAL 38 HA VAL 38 4.971 -4.909 1.842 262 HB VAL 38 HB VAL 38 5.886 -4.902 4.754 263 1HG1 VAL 38 1HG1 VAL 38 3.394 -4.886 5.222 264 2HG1 VAL 38 2HG1 VAL 38 3.095 -4.558 3.474 265 3HG1 VAL 38 3HG1 VAL 38 3.974 -3.355 4.490 266 1HG2 VAL 38 1HG2 VAL 38 4.320 -6.958 3.076 267 2HG2 VAL 38 2HG2 VAL 38 4.475 -7.001 4.873 268 3HG2 VAL 38 3HG2 VAL 38 5.935 -7.190 3.842 269 H LEU 39 H LEU 39 4.680 -2.830 1.016 270 HA LEU 39 HA LEU 39 6.046 -0.673 2.436 271 1HB LEU 39 2HB LEU 39 5.492 -1.184 -0.453 272 2HB LEU 39 1HB LEU 39 5.473 0.518 0.087 273 HG LEU 39 HG LEU 39 7.749 -1.095 1.153 274 1HD1 LEU 39 1HD1 LEU 39 7.639 -2.019 -1.143 275 2HD1 LEU 39 2HD1 LEU 39 9.100 -0.981 -0.908 276 3HD1 LEU 39 3HD1 LEU 39 7.683 -0.339 -1.829 277 1HD2 LEU 39 1HD2 LEU 39 7.539 1.383 1.563 278 2HD2 LEU 39 2HD2 LEU 39 7.514 1.680 -0.215 279 3HD2 LEU 39 3HD2 LEU 39 9.002 1.040 0.559 280 H THR 40 H THR 40 5.095 0.991 3.100 281 HA THR 40 HA THR 40 2.144 1.103 3.036 282 HB THR 40 HB THR 40 3.506 1.843 5.620 283 HG1 THR 40 1HG THR 40 4.458 -0.177 4.957 284 1HG2 THR 40 1HG2 THR 40 1.027 0.184 4.803 285 2HG2 THR 40 2HG2 THR 40 0.989 1.927 5.262 286 3HG2 THR 40 3HG2 THR 40 1.419 0.665 6.487 287 H ILE 41 H ILE 41 1.386 3.018 2.620 288 HA ILE 41 HA ILE 41 3.446 5.054 2.195 289 HB ILE 41 HB ILE 41 0.632 4.681 1.146 290 1HG1 ILE 41 2HG1 ILE 41 3.336 4.474 -0.279 291 2HG1 ILE 41 1HG1 ILE 41 2.493 3.058 0.372 292 1HG2 ILE 41 1HG2 ILE 41 1.217 6.582 -0.434 293 2HG2 ILE 41 2HG2 ILE 41 2.729 6.855 0.497 294 3HG2 ILE 41 3HG2 ILE 41 1.118 7.116 1.266 295 1HD1 ILE 41 1HD1 ILE 41 1.203 4.903 -1.727 296 2HD1 ILE 41 2HD1 ILE 41 0.586 3.319 -1.125 297 3HD1 ILE 41 3HD1 ILE 41 2.097 3.379 -2.086 298 H THR 42 H THR 42 3.445 6.956 3.377 299 HA THR 42 HA THR 42 0.945 7.602 4.749 300 HB THR 42 HB THR 42 3.307 8.564 6.240 301 HG1 THR 42 1HG THR 42 4.065 6.582 5.889 302 1HG2 THR 42 1HG2 THR 42 0.869 8.877 6.859 303 2HG2 THR 42 2HG2 THR 42 1.736 7.893 8.085 304 3HG2 THR 42 3HG2 THR 42 0.657 7.091 6.889 305 H PHE 43 H PHE 43 0.170 9.536 4.370 306 HA PHE 43 HA PHE 43 1.996 11.628 3.467 307 1HB PHE 43 2HB PHE 43 -0.858 12.294 3.161 308 2HB PHE 43 1HB PHE 43 0.487 12.314 1.986 309 HD1 PHE 43 1HD PHE 43 -1.899 10.062 3.719 310 HD2 PHE 43 2HD PHE 43 0.449 10.768 0.257 311 HE1 PHE 43 1HE PHE 43 -2.955 8.133 2.606 312 HE2 PHE 43 2HE PHE 43 -0.652 8.899 -0.881 313 HZ PHE 43 HZ PHE 43 -2.398 7.594 0.316 314 H GLU 44 H GLU 44 1.331 13.886 4.224 315 HA GLU 44 HA GLU 44 1.414 14.118 6.877 316 1HB GLU 44 2HB GLU 44 0.333 15.998 4.705 317 2HB GLU 44 1HB GLU 44 0.645 16.485 6.398 318 1HG GLU 44 2HG GLU 44 3.072 15.712 6.098 319 2HG GLU 44 1HG GLU 44 2.735 15.515 4.348 320 H ASN 45 H ASN 45 -1.507 13.836 4.988 321 HA ASN 45 HA ASN 45 -3.349 14.746 6.821 322 1HB ASN 45 2HB ASN 45 -3.505 14.122 4.302 323 2HB ASN 45 1HB ASN 45 -3.729 12.427 4.827 324 1HD2 ASN 45 1HD2 ASN 45 -5.704 13.109 3.365 325 2HD2 ASN 45 2HD2 ASN 45 -7.078 13.773 4.188 326 H GLY 46 H GLY 46 -1.409 11.899 7.027 327 1HA GLY 46 2HA GLY 46 -1.190 10.663 8.882 328 2HA GLY 46 1HA GLY 46 -2.836 11.122 9.438 329 H SER 47 H SER 47 -3.290 10.486 6.385 330 HA SER 47 HA SER 47 -4.473 7.968 6.755 331 1HB SER 47 2HB SER 47 -4.157 9.231 4.012 332 2HB SER 47 1HB SER 47 -5.590 8.434 4.750 333 HG SER 47 HG SER 47 -5.972 10.318 5.857 334 H LYS 48 H LYS 48 -4.211 6.228 4.908 335 HA LYS 48 HA LYS 48 -1.423 5.832 4.338 336 1HB LYS 48 2HB LYS 48 -1.226 3.881 5.917 337 2HB LYS 48 1HB LYS 48 -1.450 5.453 6.715 338 1HG LYS 48 2HG LYS 48 -4.046 4.799 6.752 339 2HG LYS 48 1HG LYS 48 -3.441 3.157 6.407 340 1HD LYS 48 2HD LYS 48 -3.723 3.321 8.775 341 2HD LYS 48 1HD LYS 48 -1.959 3.375 8.487 342 1HE LYS 48 2HE LYS 48 -2.039 5.917 8.735 343 2HE LYS 48 1HE LYS 48 -3.807 5.793 9.067 344 1HZ LYS 48 1HZ LYS 48 -3.245 4.379 10.990 345 2HZ LYS 48 2HZ LYS 48 -2.585 5.928 11.071 346 3HZ LYS 48 3HZ LYS 48 -1.587 4.621 10.670 347 H ILE 49 H ILE 49 -0.882 4.045 3.148 348 HA ILE 49 HA ILE 49 -3.124 2.449 2.081 349 HB ILE 49 HB ILE 49 -0.563 3.042 0.584 350 1HG1 ILE 49 2HG1 ILE 49 -1.469 5.178 0.978 351 2HG1 ILE 49 1HG1 ILE 49 -1.557 4.733 -0.744 352 1HG2 ILE 49 1HG2 ILE 49 -1.784 1.064 -0.208 353 2HG2 ILE 49 2HG2 ILE 49 -1.983 2.396 -1.397 354 3HG2 ILE 49 3HG2 ILE 49 -3.324 1.990 -0.262 355 1HD1 ILE 49 1HD1 ILE 49 -3.990 4.217 -0.604 356 2HD1 ILE 49 2HD1 ILE 49 -3.668 5.910 -0.103 357 3HD1 ILE 49 3HD1 ILE 49 -4.005 4.649 1.144 358 H ILE 50 H ILE 50 -2.569 0.085 2.066 359 HA ILE 50 HA ILE 50 0.206 -0.436 2.760 360 HB ILE 50 HB ILE 50 -0.921 -0.615 4.756 361 1HG1 ILE 50 2HG1 ILE 50 -0.915 -3.125 5.203 362 2HG1 ILE 50 1HG1 ILE 50 -0.693 -3.347 3.436 363 1HG2 ILE 50 1HG2 ILE 50 -3.330 -0.717 3.857 364 2HG2 ILE 50 2HG2 ILE 50 -2.955 -1.918 5.141 365 3HG2 ILE 50 3HG2 ILE 50 -2.985 -2.451 3.432 366 1HD1 ILE 50 1HD1 ILE 50 1.234 -1.851 5.384 367 2HD1 ILE 50 2HD1 ILE 50 1.554 -2.084 3.634 368 3HD1 ILE 50 3HD1 ILE 50 1.473 -3.508 4.748 369 H ILE 51 H ILE 51 1.220 -1.659 1.520 370 HA ILE 51 HA ILE 51 -0.158 -3.326 -0.437 371 HB ILE 51 HB ILE 51 2.460 -1.873 -0.828 372 1HG1 ILE 51 2HG1 ILE 51 -0.447 -1.138 -1.320 373 2HG1 ILE 51 1HG1 ILE 51 0.831 -0.175 -0.575 374 1HG2 ILE 51 1HG2 ILE 51 2.101 -4.013 -2.179 375 2HG2 ILE 51 2HG2 ILE 51 2.092 -2.554 -3.203 376 3HG2 ILE 51 3HG2 ILE 51 0.535 -3.338 -2.759 377 1HD1 ILE 51 1HD1 ILE 51 0.527 -0.891 -3.572 378 2HD1 ILE 51 2HD1 ILE 51 1.987 -0.073 -2.917 379 3HD1 ILE 51 3HD1 ILE 51 0.373 0.740 -2.828 380 H ASN 52 H ASN 52 0.314 -5.317 -0.477 381 HA ASN 52 HA ASN 52 2.723 -6.552 0.284 382 1HB ASN 52 2HB ASN 52 1.932 -6.070 2.490 383 2HB ASN 52 1HB ASN 52 0.285 -6.641 2.175 384 1HD2 ASN 52 1HD2 ASN 52 0.618 -8.043 4.154 385 2HD2 ASN 52 2HD2 ASN 52 1.661 -9.421 4.072 386 H ARG 53 H ARG 53 2.059 -9.078 0.208 387 HA ARG 53 HA ARG 53 0.532 -9.344 -2.288 388 1HB ARG 53 2HB ARG 53 2.357 -8.292 -3.112 389 2HB ARG 53 1HB ARG 53 3.398 -8.788 -1.824 390 1HG ARG 53 2HG ARG 53 2.528 -10.580 -4.203 391 2HG ARG 53 1HG ARG 53 3.965 -9.530 -4.173 392 1HD ARG 53 2HD ARG 53 3.589 -12.117 -2.567 393 2HD ARG 53 1HD ARG 53 4.817 -11.721 -3.831 394 HE ARG 53 HE ARG 53 4.719 -10.040 -1.328 395 1HH1 ARG 53 1HH1 ARG 53 6.578 -12.821 -2.871 396 2HH1 ARG 53 2HH1 ARG 53 7.805 -12.576 -1.740 397 1HH2 ARG 53 1HH2 ARG 53 6.286 -10.010 0.055 398 2HH2 ARG 53 2HH2 ARG 53 7.715 -11.028 -0.081 399 H GLN 54 H GLN 54 0.220 -11.357 -3.136 400 HA GLN 54 HA GLN 54 0.659 -13.543 -1.238 401 1HB GLN 54 2HB GLN 54 -1.702 -12.462 -2.776 402 2HB GLN 54 1HB GLN 54 -1.617 -14.216 -2.484 403 1HG GLN 54 2HG GLN 54 -1.499 -12.039 -0.285 404 2HG GLN 54 1HG GLN 54 -2.960 -12.992 -0.726 405 1HE2 GLN 54 1HE2 GLN 54 -1.890 -12.969 1.889 406 2HE2 GLN 54 2HE2 GLN 54 -1.180 -14.522 2.245 407 H GLU 55 H GLU 55 2.349 -14.539 -2.088 408 HA GLU 55 HA GLU 55 2.774 -14.848 -4.812 409 1HB GLU 55 2HB GLU 55 4.417 -14.587 -2.981 410 2HB GLU 55 1HB GLU 55 4.172 -16.282 -2.521 411 1HG GLU 55 2HG GLU 55 5.101 -17.062 -4.680 412 2HG GLU 55 1HG GLU 55 5.076 -15.383 -5.344 413 HA PRO 56 HA PRO 56 1.485 -19.266 -4.738 414 1HB PRO 56 2HB PRO 56 -0.643 -19.307 -2.554 415 2HB PRO 56 1HB PRO 56 0.437 -20.645 -3.107 416 1HG PRO 56 2HG PRO 56 1.000 -19.302 -0.792 417 2HG PRO 56 1HG PRO 56 2.350 -19.627 -1.968 418 1HD PRO 56 2HD PRO 56 0.697 -17.037 -1.694 419 2HD PRO 56 1HD PRO 56 2.502 -17.241 -1.751 420 H LEU 57 H LEU 57 -0.717 -16.635 -4.082 421 HA LEU 57 HA LEU 57 -2.892 -17.951 -5.429 422 1HB LEU 57 2HB LEU 57 -2.852 -15.127 -4.310 423 2HB LEU 57 1HB LEU 57 -4.282 -16.136 -4.716 424 HG LEU 57 HG LEU 57 -2.147 -16.710 -2.627 425 1HD1 LEU 57 1HD1 LEU 57 -3.887 -16.134 -0.920 426 2HD1 LEU 57 2HD1 LEU 57 -5.115 -15.910 -2.218 427 3HD1 LEU 57 3HD1 LEU 57 -3.738 -14.764 -2.084 428 1HD2 LEU 57 1HD2 LEU 57 -3.699 -18.512 -1.745 429 2HD2 LEU 57 2HD2 LEU 57 -3.115 -18.884 -3.405 430 3HD2 LEU 57 3HD2 LEU 57 -4.784 -18.238 -3.154 431 H HIS 58 H HIS 58 -0.650 -15.416 -5.902 432 HA HIS 58 HA HIS 58 0.259 -14.557 -7.809 433 1HB HIS 58 2HB HIS 58 -2.081 -15.438 -9.505 434 2HB HIS 58 1HB HIS 58 -0.447 -14.926 -10.030 435 HD1 HIS 58 1HD HIS 58 -1.610 -17.424 -11.085 436 HD2 HIS 58 2HD HIS 58 0.495 -17.489 -7.460 437 HE1 HIS 58 1HE HIS 58 -0.869 -19.800 -10.706 438 H GLN 59 H GLN 59 -0.798 -12.854 -6.054 439 HA GLN 59 HA GLN 59 -2.029 -10.884 -7.719 440 1HB GLN 59 2HB GLN 59 -3.966 -10.482 -6.216 441 2HB GLN 59 1HB GLN 59 -4.017 -12.026 -7.070 442 1HG GLN 59 2HG GLN 59 -2.833 -12.962 -4.802 443 2HG GLN 59 1HG GLN 59 -3.514 -11.468 -4.082 444 1HE2 GLN 59 1HE2 GLN 59 -5.369 -12.117 -2.948 445 2HE2 GLN 59 2HE2 GLN 59 -6.492 -13.313 -3.537 446 H VAL 60 H VAL 60 -2.072 -8.805 -6.678 447 HA VAL 60 HA VAL 60 -0.468 -8.686 -4.192 448 HB VAL 60 HB VAL 60 -0.429 -6.772 -6.540 449 1HG1 VAL 60 1HG1 VAL 60 -0.154 -5.538 -4.337 450 2HG1 VAL 60 2HG1 VAL 60 1.402 -5.638 -5.217 451 3HG1 VAL 60 3HG1 VAL 60 1.100 -6.732 -3.831 452 1HG2 VAL 60 1HG2 VAL 60 1.996 -7.453 -6.665 453 2HG2 VAL 60 2HG2 VAL 60 0.886 -8.816 -7.031 454 3HG2 VAL 60 3HG2 VAL 60 1.694 -8.708 -5.415 455 H TRP 61 H TRP 61 -1.322 -6.983 -2.644 456 HA TRP 61 HA TRP 61 -4.049 -6.297 -3.419 457 1HB TRP 61 2HB TRP 61 -4.773 -6.340 -1.341 458 2HB TRP 61 1HB TRP 61 -3.720 -7.791 -1.410 459 HD1 TRP 61 HD TRP 61 -1.180 -5.522 -0.681 460 HE1 TRP 61 1HE TRP 61 -1.337 -4.283 1.598 461 HE3 TRP 61 3HE TRP 61 -5.773 -6.989 0.817 462 HZ2 TRP 61 2HZ TRP 61 -2.775 -4.698 4.039 463 HZ3 TRP 61 3HZ TRP 61 -6.485 -6.555 3.117 464 HH2 TRP 61 HH TRP 61 -5.009 -5.445 4.702 465 H LEU 62 H LEU 62 -4.987 -4.280 -3.088 466 HA LEU 62 HA LEU 62 -3.125 -2.156 -2.297 467 1HB LEU 62 2HB LEU 62 -5.431 -2.164 -4.330 468 2HB LEU 62 1HB LEU 62 -4.746 -0.654 -3.645 469 HG LEU 62 HG LEU 62 -3.267 -2.683 -5.376 470 1HD1 LEU 62 1HD1 LEU 62 -4.272 0.172 -5.994 471 2HD1 LEU 62 2HD1 LEU 62 -4.975 -1.366 -6.619 472 3HD1 LEU 62 3HD1 LEU 62 -3.311 -0.878 -7.103 473 1HD2 LEU 62 1HD2 LEU 62 -1.650 -1.647 -3.830 474 2HD2 LEU 62 2HD2 LEU 62 -2.309 -0.002 -4.178 475 3HD2 LEU 62 3HD2 LEU 62 -1.443 -0.927 -5.464 476 H ALA 63 H ALA 63 -3.755 -2.145 -0.097 477 HA ALA 63 HA ALA 63 -6.641 -1.692 0.310 478 1HB ALA 63 1HB ALA 63 -4.432 -2.489 2.201 479 2HB ALA 63 2HB ALA 63 -5.854 -3.452 1.701 480 3HB ALA 63 3HB ALA 63 -6.098 -2.004 2.753 481 H THR 64 H THR 64 -7.324 0.239 0.260 482 HA THR 64 HA THR 64 -5.413 2.446 0.384 483 HB THR 64 HB THR 64 -6.670 3.406 -1.464 484 HG1 THR 64 1HG THR 64 -7.981 1.586 -2.510 485 1HG2 THR 64 1HG2 THR 64 -5.817 0.495 -2.015 486 2HG2 THR 64 2HG2 THR 64 -4.690 1.902 -1.902 487 3HG2 THR 64 3HG2 THR 64 -5.930 1.837 -3.201 488 H LYS 65 H LYS 65 -8.388 3.535 -0.429 489 HA LYS 65 HA LYS 65 -8.465 5.007 2.097 490 1HB LYS 65 2HB LYS 65 -8.160 6.113 -0.167 491 2HB LYS 65 1HB LYS 65 -9.846 5.738 -0.563 492 1HG LYS 65 2HG LYS 65 -8.982 7.251 1.974 493 2HG LYS 65 1HG LYS 65 -9.154 8.068 0.402 494 1HD LYS 65 2HD LYS 65 -11.601 7.389 0.367 495 2HD LYS 65 1HD LYS 65 -11.390 6.734 2.028 496 1HE LYS 65 2HE LYS 65 -10.586 9.015 2.797 497 2HE LYS 65 1HE LYS 65 -10.877 9.651 1.134 498 1HZ LYS 65 1HZ LYS 65 -12.713 10.192 2.455 499 2HZ LYS 65 2HZ LYS 65 -12.893 8.614 3.058 500 3HZ LYS 65 3HZ LYS 65 -13.239 8.947 1.446 501 H GLN 66 H GLN 66 -10.895 3.956 -0.322 502 HA GLN 66 HA GLN 66 -12.934 3.934 1.656 503 1HB GLN 66 2HB GLN 66 -13.134 4.557 -0.779 504 2HB GLN 66 1HB GLN 66 -12.862 2.844 -1.205 505 1HG GLN 66 2HG GLN 66 -15.009 2.248 0.060 506 2HG GLN 66 1HG GLN 66 -15.235 3.999 0.419 507 1HE2 GLN 66 1HE2 GLN 66 -14.592 1.790 -2.391 508 2HE2 GLN 66 2HE2 GLN 66 -15.663 2.632 -3.488 509 H GLY 67 H GLY 67 -10.740 1.521 0.421 510 1HA GLY 67 2HA GLY 67 -11.195 -0.293 2.407 511 2HA GLY 67 1HA GLY 67 -12.285 -0.760 1.037 512 H GLY 68 H GLY 68 -11.038 -0.481 -1.160 513 1HA GLY 68 2HA GLY 68 -9.260 -1.009 -2.454 514 2HA GLY 68 1HA GLY 68 -8.314 -1.457 -0.994 515 H TYR 69 H TYR 69 -8.009 -3.119 -3.064 516 HA TYR 69 HA TYR 69 -8.794 -5.534 -2.136 517 1HB TYR 69 2HB TYR 69 -10.870 -4.414 -3.791 518 2HB TYR 69 1HB TYR 69 -10.072 -5.667 -4.773 519 HD1 TYR 69 1HD TYR 69 -11.927 -7.097 -4.811 520 HD2 TYR 69 2HD TYR 69 -10.480 -5.846 -1.004 521 HE1 TYR 69 1HE TYR 69 -13.339 -8.740 -3.729 522 HE2 TYR 69 2HE TYR 69 -11.929 -7.414 0.069 523 HH TYR 69 HH TYR 69 -14.119 -9.545 -1.727 524 H HIS 70 H HIS 70 -8.250 -7.370 -3.866 525 HA HIS 70 HA HIS 70 -5.579 -6.665 -4.460 526 1HB HIS 70 2HB HIS 70 -5.093 -8.928 -4.866 527 2HB HIS 70 1HB HIS 70 -6.119 -8.793 -3.421 528 HD1 HIS 70 1HD HIS 70 -6.811 -9.673 -7.250 529 HD2 HIS 70 2HD HIS 70 -7.835 -10.838 -3.321 530 HE1 HIS 70 1HE HIS 70 -8.183 -11.620 -7.444 531 H PHE 71 H PHE 71 -4.388 -7.234 -6.394 532 HA PHE 71 HA PHE 71 -6.010 -6.724 -8.754 533 1HB PHE 71 2HB PHE 71 -4.353 -5.316 -9.706 534 2HB PHE 71 1HB PHE 71 -4.966 -4.710 -8.107 535 HD1 PHE 71 1HD PHE 71 -3.552 -4.746 -6.134 536 HD2 PHE 71 2HD PHE 71 -2.097 -5.486 -10.036 537 HE1 PHE 71 1HE PHE 71 -1.340 -3.935 -5.461 538 HE2 PHE 71 2HE PHE 71 0.142 -4.775 -9.362 539 HZ PHE 71 HZ PHE 71 0.513 -3.933 -7.066 540 H ASP 72 H ASP 72 -5.743 -7.653 -10.548 541 HA ASP 72 HA ASP 72 -3.868 -9.901 -10.716 542 1HB ASP 72 2HB ASP 72 -6.800 -9.744 -11.690 543 2HB ASP 72 1HB ASP 72 -5.689 -11.155 -11.868 544 H LEU 73 H LEU 73 -3.814 -10.663 -13.196 545 HA LEU 73 HA LEU 73 -3.529 -8.283 -14.879 546 1HB LEU 73 2HB LEU 73 -2.482 -11.141 -14.722 547 2HB LEU 73 1HB LEU 73 -2.376 -10.237 -16.249 548 HG LEU 73 HG LEU 73 -1.226 -9.150 -13.625 549 1HD1 LEU 73 1HD1 LEU 73 -0.164 -11.360 -14.116 550 2HD1 LEU 73 2HD1 LEU 73 0.986 -9.997 -14.375 551 3HD1 LEU 73 3HD1 LEU 73 0.218 -10.806 -15.793 552 1HD2 LEU 73 1HD2 LEU 73 -0.672 -8.503 -16.599 553 2HD2 LEU 73 2HD2 LEU 73 0.187 -7.785 -15.191 554 3HD2 LEU 73 3HD2 LEU 73 -1.562 -7.446 -15.435 555 H LYS 74 H LYS 74 -5.433 -7.807 -15.963 556 HA LYS 74 HA LYS 74 -6.622 -9.867 -17.546 557 1HB LYS 74 2HB LYS 74 -6.456 -6.839 -17.861 558 2HB LYS 74 1HB LYS 74 -7.225 -7.896 -19.078 559 1HG LYS 74 2HG LYS 74 -8.153 -7.452 -16.211 560 2HG LYS 74 1HG LYS 74 -8.926 -6.926 -17.736 561 1HD LYS 74 2HD LYS 74 -9.093 -9.430 -18.342 562 2HD LYS 74 1HD LYS 74 -8.684 -9.794 -16.646 563 1HE LYS 74 2HE LYS 74 -11.136 -8.182 -17.633 564 2HE LYS 74 1HE LYS 74 -11.116 -9.915 -17.147 565 1HZ LYS 74 1HZ LYS 74 -10.259 -8.943 -14.878 566 2HZ LYS 74 2HZ LYS 74 -11.869 -8.917 -15.318 567 3HZ LYS 74 3HZ LYS 74 -10.995 -7.518 -15.467 568 H GLY 75 H GLY 75 -3.871 -7.610 -18.093 569 1HA GLY 75 2HA GLY 75 -2.495 -9.574 -19.473 570 2HA GLY 75 1HA GLY 75 -3.385 -8.587 -20.685 571 H ASP 76 H ASP 76 -2.898 -6.336 -20.857 572 HA ASP 76 HA ASP 76 -0.183 -5.606 -20.084 573 1HB ASP 76 2HB ASP 76 -2.207 -4.867 -22.194 574 2HB ASP 76 1HB ASP 76 -1.367 -3.449 -21.482 575 H GLU 77 H GLU 77 -3.232 -5.642 -18.798 576 HA GLU 77 HA GLU 77 -2.947 -3.121 -17.283 577 1HB GLU 77 2HB GLU 77 -5.369 -4.462 -18.573 578 2HB GLU 77 1HB GLU 77 -5.511 -3.163 -17.347 579 1HG GLU 77 2HG GLU 77 -4.671 -1.477 -18.812 580 2HG GLU 77 1HG GLU 77 -3.857 -2.663 -19.886 581 H TRP 78 H TRP 78 -2.647 -3.595 -15.260 582 HA TRP 78 HA TRP 78 -3.657 -6.123 -14.187 583 1HB TRP 78 2HB TRP 78 -2.179 -3.792 -12.858 584 2HB TRP 78 1HB TRP 78 -2.798 -5.244 -11.999 585 HD1 TRP 78 HD TRP 78 0.005 -4.268 -14.604 586 HE1 TRP 78 1HE TRP 78 2.049 -5.674 -13.935 587 HE3 TRP 78 3HE TRP 78 -2.243 -7.352 -11.255 588 HZ2 TRP 78 2HZ TRP 78 2.655 -7.629 -11.984 589 HZ3 TRP 78 3HZ TRP 78 -0.870 -8.853 -9.923 590 HH2 TRP 78 HH TRP 78 1.542 -8.974 -10.244 591 H ILE 79 H ILE 79 -5.676 -6.125 -12.997 592 HA ILE 79 HA ILE 79 -6.943 -3.507 -12.804 593 HB ILE 79 HB ILE 79 -8.812 -4.232 -13.805 594 1HG1 ILE 79 2HG1 ILE 79 -9.318 -6.291 -12.837 595 2HG1 ILE 79 1HG1 ILE 79 -9.312 -6.491 -14.602 596 1HG2 ILE 79 1HG2 ILE 79 -7.000 -3.741 -15.401 597 2HG2 ILE 79 2HG2 ILE 79 -8.231 -4.873 -16.049 598 3HG2 ILE 79 3HG2 ILE 79 -6.629 -5.503 -15.533 599 1HD1 ILE 79 1HD1 ILE 79 -8.284 -8.510 -13.779 600 2HD1 ILE 79 2HD1 ILE 79 -7.254 -7.627 -12.613 601 3HD1 ILE 79 3HD1 ILE 79 -6.908 -7.512 -14.373 602 H CYS 80 H CYS 80 -8.594 -3.359 -11.120 603 HA CYS 80 HA CYS 80 -7.700 -4.932 -8.969 604 1HB CYS 80 2HB CYS 80 -9.756 -2.702 -8.928 605 2HB CYS 80 1HB CYS 80 -9.113 -3.553 -7.496 606 HG CYS 80 HG CYS 80 -7.832 -1.386 -7.522 607 H ASP 81 H ASP 81 -9.034 -6.343 -7.632 608 HA ASP 81 HA ASP 81 -10.763 -7.896 -9.029 609 1HB ASP 81 2HB ASP 81 -9.226 -8.469 -7.164 610 2HB ASP 81 1HB ASP 81 -10.343 -7.710 -5.991 611 H ARG 82 H ARG 82 -11.689 -5.252 -6.818 612 HA ARG 82 HA ARG 82 -14.363 -5.570 -7.898 613 1HB ARG 82 2HB ARG 82 -15.557 -5.388 -5.931 614 2HB ARG 82 1HB ARG 82 -14.318 -6.609 -5.590 615 1HG ARG 82 2HG ARG 82 -12.961 -4.862 -4.397 616 2HG ARG 82 1HG ARG 82 -14.222 -3.648 -4.680 617 1HD ARG 82 2HD ARG 82 -14.773 -6.271 -3.142 618 2HD ARG 82 1HD ARG 82 -14.245 -4.720 -2.367 619 HE ARG 82 HE ARG 82 -16.498 -4.221 -4.140 620 1HH1 ARG 82 1HH1 ARG 82 -15.792 -5.323 -0.797 621 2HH1 ARG 82 2HH1 ARG 82 -17.446 -5.119 -0.328 622 1HH2 ARG 82 1HH2 ARG 82 -18.522 -3.948 -3.458 623 2HH2 ARG 82 2HH2 ARG 82 -19.037 -4.334 -1.832 624 H SER 83 H SER 83 -15.715 -3.666 -7.184 625 HA SER 83 HA SER 83 -16.258 -1.663 -7.197 626 1HB SER 83 2HB SER 83 -15.347 0.006 -5.947 627 2HB SER 83 1HB SER 83 -14.867 -1.524 -5.159 628 HG SER 83 HG SER 83 -13.373 0.468 -6.187 629 H GLY 84 H GLY 84 -13.033 -1.529 -8.686 630 1HA GLY 84 2HA GLY 84 -14.201 -0.613 -11.126 631 2HA GLY 84 1HA GLY 84 -13.355 0.695 -10.204 632 H GLU 85 H GLU 85 -12.921 -2.363 -12.109 633 HA GLU 85 HA GLU 85 -10.445 -2.771 -11.146 634 1HB GLU 85 2HB GLU 85 -10.359 -4.543 -12.575 635 2HB GLU 85 1HB GLU 85 -12.009 -4.423 -11.918 636 1HG GLU 85 2HG GLU 85 -12.929 -3.573 -14.047 637 2HG GLU 85 1HG GLU 85 -11.304 -3.590 -14.813 638 H THR 86 H THR 86 -8.936 -1.194 -11.313 639 HA THR 86 HA THR 86 -7.360 -1.520 -13.605 640 HB THR 86 HB THR 86 -8.234 1.374 -12.972 641 HG1 THR 86 1HG THR 86 -9.563 -0.250 -14.330 642 1HG2 THR 86 1HG2 THR 86 -6.476 0.151 -15.225 643 2HG2 THR 86 2HG2 THR 86 -5.876 1.219 -13.900 644 3HG2 THR 86 3HG2 THR 86 -6.988 1.867 -15.151 645 H PHE 87 H PHE 87 -5.262 -1.596 -12.903 646 HA PHE 87 HA PHE 87 -4.519 -0.902 -10.437 647 1HB PHE 87 2HB PHE 87 -2.246 -1.195 -11.009 648 2HB PHE 87 1HB PHE 87 -3.281 -2.452 -11.730 649 HD1 PHE 87 1HD PHE 87 -0.456 -1.679 -12.278 650 HD2 PHE 87 2HD PHE 87 -4.066 -0.691 -14.309 651 HE1 PHE 87 1HE PHE 87 0.752 -1.568 -14.399 652 HE2 PHE 87 2HE PHE 87 -2.870 -0.579 -16.394 653 HZ PHE 87 HZ PHE 87 -0.462 -1.041 -16.475 654 H TRP 88 H TRP 88 -2.850 1.132 -12.987 655 HA TRP 88 HA TRP 88 -2.213 2.892 -11.061 656 1HB TRP 88 2HB TRP 88 -2.580 3.984 -13.871 657 2HB TRP 88 1HB TRP 88 -1.436 4.366 -12.586 658 HD1 TRP 88 HD TRP 88 -1.526 2.611 -15.799 659 HE1 TRP 88 1HE TRP 88 0.798 1.662 -16.234 660 HE3 TRP 88 3HE TRP 88 0.296 2.931 -11.083 661 HZ2 TRP 88 2HZ TRP 88 3.132 1.082 -14.709 662 HZ3 TRP 88 3HZ TRP 88 2.576 2.124 -10.629 663 HH2 TRP 88 HH TRP 88 3.978 1.268 -12.421 664 H ASP 89 H ASP 89 -5.100 2.993 -13.132 665 HA ASP 89 HA ASP 89 -5.752 5.618 -12.413 666 1HB ASP 89 2HB ASP 89 -6.468 4.250 -14.473 667 2HB ASP 89 1HB ASP 89 -7.728 3.510 -13.422 668 H LEU 90 H LEU 90 -6.800 2.517 -10.817 669 HA LEU 90 HA LEU 90 -8.578 4.025 -9.204 670 1HB LEU 90 2HB LEU 90 -8.914 1.599 -9.763 671 2HB LEU 90 1HB LEU 90 -7.505 1.200 -8.755 672 HG LEU 90 HG LEU 90 -8.568 2.233 -6.795 673 1HD1 LEU 90 1HD1 LEU 90 -11.079 2.707 -6.806 674 2HD1 LEU 90 2HD1 LEU 90 -11.068 2.548 -8.596 675 3HD1 LEU 90 3HD1 LEU 90 -10.154 3.887 -7.793 676 1HD2 LEU 90 1HD2 LEU 90 -8.831 -0.190 -7.096 677 2HD2 LEU 90 2HD2 LEU 90 -10.268 0.050 -8.168 678 3HD2 LEU 90 3HD2 LEU 90 -10.372 0.464 -6.420 679 H LEU 91 H LEU 91 -5.435 2.558 -8.825 680 HA LEU 91 HA LEU 91 -4.604 3.324 -6.343 681 1HB LEU 91 2HB LEU 91 -3.440 1.912 -8.010 682 2HB LEU 91 1HB LEU 91 -3.114 3.335 -9.018 683 HG LEU 91 HG LEU 91 -1.180 2.489 -7.950 684 1HD1 LEU 91 1HD1 LEU 91 -1.667 5.209 -6.637 685 2HD1 LEU 91 2HD1 LEU 91 -1.287 4.948 -8.386 686 3HD1 LEU 91 3HD1 LEU 91 -0.111 4.443 -7.115 687 1HD2 LEU 91 1HD2 LEU 91 -0.760 2.543 -5.490 688 2HD2 LEU 91 2HD2 LEU 91 -2.139 1.463 -5.927 689 3HD2 LEU 91 3HD2 LEU 91 -2.458 3.083 -5.205 690 H GLU 92 H GLU 92 -4.337 5.297 -9.307 691 HA GLU 92 HA GLU 92 -3.544 7.645 -8.224 692 1HB GLU 92 2HB GLU 92 -4.016 6.938 -10.751 693 2HB GLU 92 1HB GLU 92 -5.616 7.636 -10.460 694 1HG GLU 92 2HG GLU 92 -4.354 9.413 -11.371 695 2HG GLU 92 1HG GLU 92 -4.172 9.779 -9.617 696 H GLN 93 H GLN 93 -6.999 6.655 -8.726 697 HA GLN 93 HA GLN 93 -8.140 8.864 -7.605 698 1HB GLN 93 2HB GLN 93 -9.310 6.885 -8.735 699 2HB GLN 93 1HB GLN 93 -9.192 6.039 -7.172 700 1HG GLN 93 2HG GLN 93 -10.324 8.255 -6.173 701 2HG GLN 93 1HG GLN 93 -10.748 8.607 -7.876 702 1HE2 GLN 93 1HE2 GLN 93 -11.345 6.540 -5.064 703 2HE2 GLN 93 2HE2 GLN 93 -12.712 5.691 -5.730 704 H ALA 94 H ALA 94 -7.201 5.875 -5.915 705 HA ALA 94 HA ALA 94 -7.752 6.612 -3.332 706 1HB ALA 94 1HB ALA 94 -5.513 4.845 -4.448 707 2HB ALA 94 2HB ALA 94 -7.164 4.336 -3.973 708 3HB ALA 94 3HB ALA 94 -6.002 4.913 -2.714 709 H ALA 95 H ALA 95 -4.663 7.253 -5.096 710 HA ALA 95 HA ALA 95 -3.373 8.412 -2.893 711 1HB ALA 95 1HB ALA 95 -2.156 7.504 -4.895 712 2HB ALA 95 2HB ALA 95 -1.760 9.235 -4.649 713 3HB ALA 95 3HB ALA 95 -2.925 8.746 -5.930 714 H THR 96 H THR 96 -4.919 9.873 -5.733 715 HA THR 96 HA THR 96 -4.562 12.513 -5.035 716 HB THR 96 HB THR 96 -6.358 13.012 -6.660 717 HG1 THR 96 1HG THR 96 -6.414 10.212 -6.997 718 1HG2 THR 96 1HG2 THR 96 -4.312 10.837 -7.571 719 2HG2 THR 96 2HG2 THR 96 -3.943 12.545 -7.198 720 3HG2 THR 96 3HG2 THR 96 -5.058 12.133 -8.576 721 H GLN 97 H GLN 97 -7.182 10.364 -4.287 722 HA GLN 97 HA GLN 97 -8.681 12.434 -2.995 723 1HB GLN 97 2HB GLN 97 -10.424 11.087 -2.646 724 2HB GLN 97 1HB GLN 97 -9.709 10.450 -4.145 725 1HG GLN 97 2HG GLN 97 -8.610 8.597 -2.782 726 2HG GLN 97 1HG GLN 97 -9.438 9.226 -1.313 727 1HE2 GLN 97 1HE2 GLN 97 -11.997 9.775 -2.051 728 2HE2 GLN 97 2HE2 GLN 97 -12.764 8.309 -2.557 729 H GLN 98 H GLN 98 -6.300 10.121 -1.729 730 HA GLN 98 HA GLN 98 -6.887 10.798 0.975 731 1HB GLN 98 2HB GLN 98 -4.509 9.525 -0.428 732 2HB GLN 98 1HB GLN 98 -4.563 9.776 1.339 733 1HG GLN 98 2HG GLN 98 -6.836 8.257 -0.026 734 2HG GLN 98 1HG GLN 98 -5.244 7.473 0.173 735 1HE2 GLN 98 1HE2 GLN 98 -5.114 6.209 1.963 736 2HE2 GLN 98 2HE2 GLN 98 -5.962 6.495 3.449 737 H ALA 99 H ALA 99 -4.612 12.012 -1.503 738 HA ALA 99 HA ALA 99 -3.407 13.833 0.298 739 1HB ALA 99 1HB ALA 99 -2.203 14.592 -1.764 740 2HB ALA 99 2HB ALA 99 -3.345 13.620 -2.771 741 3HB ALA 99 3HB ALA 99 -2.225 12.801 -1.634 742 H GLY 100 H GLY 100 -5.790 14.279 -2.356 743 1HA GLY 100 2HA GLY 100 -7.550 15.742 -1.851 744 2HA GLY 100 1HA GLY 100 -6.374 16.938 -1.242 745 H GLU 101 H GLU 101 -5.089 15.590 -4.060 746 HA GLU 101 HA GLU 101 -6.536 17.250 -5.878 747 1HB GLU 101 2HB GLU 101 -4.733 18.682 -6.543 748 2HB GLU 101 1HB GLU 101 -4.985 18.874 -4.790 749 1HG GLU 101 2HG GLU 101 -2.966 17.577 -4.268 750 2HG GLU 101 1HG GLU 101 -2.739 17.114 -5.991 751 H THR 102 H THR 102 -5.294 17.123 -8.155 752 HA THR 102 HA THR 102 -4.907 14.370 -8.591 753 HB THR 102 HB THR 102 -4.324 16.540 -10.596 754 HG1 THR 102 1HG THR 102 -6.439 16.084 -11.225 755 1HG2 THR 102 1HG2 THR 102 -5.070 13.518 -10.791 756 2HG2 THR 102 2HG2 THR 102 -3.466 14.198 -11.201 757 3HG2 THR 102 3HG2 THR 102 -4.895 14.640 -12.177 758 H VAL 103 H VAL 103 -3.149 13.179 -8.568 759 HA VAL 103 HA VAL 103 -0.486 14.351 -8.470 760 HB VAL 103 HB VAL 103 -1.681 11.945 -6.979 761 1HG1 VAL 103 1HG1 VAL 103 0.541 11.873 -5.851 762 2HG1 VAL 103 2HG1 VAL 103 1.043 13.408 -6.643 763 3HG1 VAL 103 3HG1 VAL 103 0.903 11.912 -7.621 764 1HG2 VAL 103 1HG2 VAL 103 -0.912 14.734 -5.942 765 2HG2 VAL 103 2HG2 VAL 103 -1.263 13.290 -4.919 766 3HG2 VAL 103 3HG2 VAL 103 -2.555 13.979 -5.949 767 H SER 104 H SER 104 0.871 13.224 -9.966 768 HA SER 104 HA SER 104 -0.685 11.592 -11.822 769 1HB SER 104 2HB SER 104 0.928 12.308 -13.559 770 2HB SER 104 1HB SER 104 0.005 13.634 -12.799 771 HG SER 104 HG SER 104 2.641 13.353 -12.945 772 H PHE 105 H PHE 105 -0.324 9.500 -12.119 773 HA PHE 105 HA PHE 105 2.433 8.640 -12.377 774 1HB PHE 105 2HB PHE 105 1.003 7.924 -10.272 775 2HB PHE 105 1HB PHE 105 0.102 6.861 -11.364 776 HD1 PHE 105 1HD PHE 105 0.979 5.733 -9.228 777 HD2 PHE 105 2HD PHE 105 3.462 6.636 -12.563 778 HE1 PHE 105 1HE PHE 105 2.636 4.129 -8.423 779 HE2 PHE 105 2HE PHE 105 5.096 5.024 -11.784 780 HZ PHE 105 HZ PHE 105 4.714 3.776 -9.691 781 H ARG 106 H ARG 106 -1.044 8.441 -13.216 782 HA ARG 106 HA ARG 106 -0.701 6.381 -15.087 783 1HB ARG 106 2HB ARG 106 -2.496 6.781 -13.357 784 2HB ARG 106 1HB ARG 106 -3.070 8.181 -14.285 785 1HG ARG 106 2HG ARG 106 -2.759 5.436 -15.545 786 2HG ARG 106 1HG ARG 106 -4.180 5.733 -14.491 787 1HD ARG 106 2HD ARG 106 -3.575 7.346 -17.059 788 2HD ARG 106 1HD ARG 106 -4.728 5.975 -16.922 789 HE ARG 106 HE ARG 106 -6.070 7.286 -15.291 790 1HH1 ARG 106 1HH1 ARG 106 -3.452 9.400 -16.507 791 2HH1 ARG 106 2HH1 ARG 106 -4.545 10.720 -16.757 792 1HH2 ARG 106 1HH2 ARG 106 -7.425 9.079 -15.881 793 2HH2 ARG 106 2HH2 ARG 106 -6.659 10.578 -16.318 Start of MODEL 17 1 HA MET 1 HA MET 1 7.950 -19.775 -11.850 2 1HB MET 1 2HB MET 1 7.232 -22.143 -12.215 3 2HB MET 1 1HB MET 1 5.631 -21.779 -11.515 4 1HG MET 1 2HG MET 1 5.485 -21.869 -13.927 5 2HG MET 1 1HG MET 1 5.151 -20.204 -13.391 6 1HE MET 1 1HE MET 1 5.256 -19.666 -15.841 7 2HE MET 1 2HE MET 1 5.803 -21.302 -16.335 8 3HE MET 1 3HE MET 1 6.677 -19.851 -16.927 9 H ASN 2 H ASN 2 4.903 -20.283 -10.010 10 HA ASN 2 HA ASN 2 3.750 -17.912 -11.003 11 1HB ASN 2 2HB ASN 2 2.961 -19.654 -8.588 12 2HB ASN 2 1HB ASN 2 1.943 -18.373 -9.323 13 1HD2 ASN 2 1HD2 ASN 2 3.255 -21.679 -9.831 14 2HD2 ASN 2 2HD2 ASN 2 2.212 -22.022 -11.176 15 H ASP 3 H ASP 3 5.119 -18.718 -7.783 16 HA ASP 3 HA ASP 3 4.899 -16.235 -6.649 17 1HB ASP 3 2HB ASP 3 6.984 -17.262 -5.294 18 2HB ASP 3 1HB ASP 3 5.328 -17.909 -5.112 19 H SER 4 H SER 4 7.650 -17.613 -8.401 20 HA SER 4 HA SER 4 9.361 -15.502 -8.351 21 1HB SER 4 2HB SER 4 9.860 -17.725 -9.314 22 2HB SER 4 1HB SER 4 8.804 -17.373 -10.716 23 HG SER 4 HG SER 4 11.152 -17.022 -10.898 24 H GLU 5 H GLU 5 6.820 -16.034 -10.835 25 HA GLU 5 HA GLU 5 7.395 -13.753 -12.274 26 1HB GLU 5 2HB GLU 5 6.185 -15.791 -13.027 27 2HB GLU 5 1HB GLU 5 4.753 -15.297 -12.083 28 1HG GLU 5 2HG GLU 5 4.469 -13.271 -13.480 29 2HG GLU 5 1HG GLU 5 6.073 -13.524 -14.247 30 H PHE 6 H PHE 6 4.746 -14.212 -9.839 31 HA PHE 6 HA PHE 6 3.929 -11.558 -10.100 32 1HB PHE 6 2HB PHE 6 3.210 -13.930 -8.520 33 2HB PHE 6 1HB PHE 6 3.205 -12.489 -7.462 34 HD1 PHE 6 1HD PHE 6 1.087 -11.785 -7.195 35 HD2 PHE 6 2HD PHE 6 2.276 -12.998 -11.090 36 HE1 PHE 6 1HE PHE 6 -1.104 -11.131 -8.075 37 HE2 PHE 6 2HE PHE 6 0.096 -12.350 -11.965 38 HZ PHE 6 HZ PHE 6 -1.617 -11.437 -10.449 39 H HIS 7 H HIS 7 6.430 -12.908 -7.890 40 HA HIS 7 HA HIS 7 6.738 -10.521 -6.540 41 1HB HIS 7 2HB HIS 7 7.523 -12.844 -5.864 42 2HB HIS 7 1HB HIS 7 8.875 -12.665 -7.026 43 HD1 HIS 7 1HD HIS 7 9.704 -12.916 -4.140 44 HD2 HIS 7 2HD HIS 7 8.293 -9.303 -5.599 45 HE1 HIS 7 1HE HIS 7 10.761 -11.151 -2.682 46 H ARG 8 H ARG 8 8.220 -11.627 -9.641 47 HA ARG 8 HA ARG 8 9.961 -9.407 -9.710 48 1HB ARG 8 2HB ARG 8 9.252 -11.677 -11.445 49 2HB ARG 8 1HB ARG 8 9.621 -10.211 -12.386 50 1HG ARG 8 2HG ARG 8 11.437 -11.111 -10.106 51 2HG ARG 8 1HG ARG 8 11.581 -11.848 -11.716 52 1HD ARG 8 2HD ARG 8 11.663 -8.780 -11.403 53 2HD ARG 8 1HD ARG 8 13.133 -9.803 -11.096 54 HE ARG 8 HE ARG 8 12.053 -10.705 -13.551 55 1HH1 ARG 8 1HH1 ARG 8 13.463 -7.617 -12.422 56 2HH1 ARG 8 2HH1 ARG 8 14.419 -7.434 -13.843 57 1HH2 ARG 8 1HH2 ARG 8 13.477 -10.484 -15.320 58 2HH2 ARG 8 2HH2 ARG 8 14.630 -9.237 -15.315 59 H LEU 9 H LEU 9 6.711 -9.900 -11.169 60 HA LEU 9 HA LEU 9 6.512 -7.430 -12.373 61 1HB LEU 9 2HB LEU 9 4.490 -9.267 -10.987 62 2HB LEU 9 1HB LEU 9 3.997 -7.831 -11.940 63 HG LEU 9 HG LEU 9 5.647 -10.135 -13.122 64 1HD1 LEU 9 1HD1 LEU 9 2.592 -9.724 -13.090 65 2HD1 LEU 9 2HD1 LEU 9 3.515 -11.057 -12.303 66 3HD1 LEU 9 3HD1 LEU 9 3.474 -10.931 -14.099 67 1HD2 LEU 9 1HD2 LEU 9 3.978 -7.882 -14.421 68 2HD2 LEU 9 2HD2 LEU 9 4.791 -9.226 -15.295 69 3HD2 LEU 9 3HD2 LEU 9 5.778 -8.001 -14.419 70 H ALA 10 H ALA 10 5.688 -8.387 -9.032 71 HA ALA 10 HA ALA 10 4.897 -5.934 -8.100 72 1HB ALA 10 1HB ALA 10 5.495 -6.767 -5.850 73 2HB ALA 10 2HB ALA 10 6.455 -8.114 -6.581 74 3HB ALA 10 3HB ALA 10 4.668 -8.043 -6.809 75 H ASP 11 H ASP 11 8.242 -7.290 -7.945 76 HA ASP 11 HA ASP 11 9.514 -5.264 -6.761 77 1HB ASP 11 2HB ASP 11 10.301 -7.597 -7.553 78 2HB ASP 11 1HB ASP 11 10.595 -6.868 -9.166 79 H GLN 12 H GLN 12 8.916 -5.519 -10.236 80 HA GLN 12 HA GLN 12 10.068 -3.131 -11.030 81 1HB GLN 12 2HB GLN 12 7.623 -4.572 -12.142 82 2HB GLN 12 1HB GLN 12 8.501 -3.283 -13.008 83 1HG GLN 12 2HG GLN 12 9.844 -5.921 -12.120 84 2HG GLN 12 1HG GLN 12 8.964 -5.737 -13.667 85 1HE2 GLN 12 1HE2 GLN 12 9.822 -4.325 -15.294 86 2HE2 GLN 12 2HE2 GLN 12 11.528 -3.973 -15.303 87 H LEU 13 H LEU 13 6.490 -3.609 -10.370 88 HA LEU 13 HA LEU 13 6.146 -0.851 -10.675 89 1HB LEU 13 2HB LEU 13 3.875 -1.259 -10.233 90 2HB LEU 13 1HB LEU 13 4.529 -2.368 -11.492 91 HG LEU 13 HG LEU 13 4.671 -3.912 -9.154 92 1HD1 LEU 13 1HD1 LEU 13 2.443 -3.665 -8.045 93 2HD1 LEU 13 2HD1 LEU 13 2.036 -2.267 -9.101 94 3HD1 LEU 13 3HD1 LEU 13 3.357 -2.119 -7.887 95 1HD2 LEU 13 1HD2 LEU 13 2.306 -3.703 -11.130 96 2HD2 LEU 13 2HD2 LEU 13 2.715 -5.119 -10.092 97 3HD2 LEU 13 3HD2 LEU 13 3.833 -4.620 -11.417 98 H TRP 14 H TRP 14 6.331 -2.840 -7.786 99 HA TRP 14 HA TRP 14 5.677 -0.953 -5.842 100 1HB TRP 14 2HB TRP 14 7.618 -3.305 -5.815 101 2HB TRP 14 1HB TRP 14 7.276 -2.319 -4.375 102 HD1 TRP 14 HD TRP 14 4.556 -3.761 -6.831 103 HE1 TRP 14 1HE TRP 14 2.823 -4.919 -5.359 104 HE3 TRP 14 3HE TRP 14 7.080 -3.597 -2.436 105 HZ2 TRP 14 2HZ TRP 14 2.667 -5.847 -2.683 106 HZ3 TRP 14 3HZ TRP 14 6.096 -4.637 -0.467 107 HH2 TRP 14 HH TRP 14 3.901 -5.719 -0.573 108 H LEU 15 H LEU 15 8.897 -1.609 -7.336 109 HA LEU 15 HA LEU 15 10.192 0.439 -5.958 110 1HB LEU 15 2HB LEU 15 11.322 -1.386 -7.227 111 2HB LEU 15 1HB LEU 15 10.682 -0.730 -8.755 112 HG LEU 15 HG LEU 15 12.023 1.355 -8.417 113 1HD1 LEU 15 1HD1 LEU 15 13.824 1.375 -6.643 114 2HD1 LEU 15 2HD1 LEU 15 13.095 -0.102 -5.909 115 3HD1 LEU 15 3HD1 LEU 15 12.174 1.449 -5.930 116 1HD2 LEU 15 1HD2 LEU 15 12.971 -0.552 -9.714 117 2HD2 LEU 15 2HD2 LEU 15 13.645 -1.261 -8.201 118 3HD2 LEU 15 3HD2 LEU 15 14.265 0.321 -8.805 119 H THR 16 H THR 16 8.534 0.475 -9.086 120 HA THR 16 HA THR 16 9.006 3.112 -9.724 121 HB THR 16 HB THR 16 6.466 1.591 -10.390 122 HG1 THR 16 1HG THR 16 8.189 0.397 -11.064 123 1HG2 THR 16 1HG2 THR 16 6.364 4.029 -11.001 124 2HG2 THR 16 2HG2 THR 16 6.610 3.021 -12.467 125 3HG2 THR 16 3HG2 THR 16 8.002 3.916 -11.753 126 H ILE 17 H ILE 17 6.248 1.869 -7.786 127 HA ILE 17 HA ILE 17 5.047 4.372 -7.494 128 HB ILE 17 HB ILE 17 4.859 1.894 -5.763 129 1HG1 ILE 17 2HG1 ILE 17 2.878 2.984 -7.839 130 2HG1 ILE 17 1HG1 ILE 17 4.155 1.837 -8.324 131 1HG2 ILE 17 1HG2 ILE 17 4.084 3.878 -4.482 132 2HG2 ILE 17 2HG2 ILE 17 2.678 2.931 -5.028 133 3HG2 ILE 17 3HG2 ILE 17 3.114 4.443 -5.899 134 1HD1 ILE 17 1HD1 ILE 17 2.061 0.616 -7.880 135 2HD1 ILE 17 2HD1 ILE 17 1.997 1.257 -6.196 136 3HD1 ILE 17 3HD1 ILE 17 3.324 0.149 -6.690 137 H GLU 18 H GLU 18 7.325 2.606 -5.381 138 HA GLU 18 HA GLU 18 7.496 4.383 -3.328 139 1HB GLU 18 2HB GLU 18 8.514 2.101 -3.457 140 2HB GLU 18 1HB GLU 18 9.781 2.800 -4.500 141 1HG GLU 18 2HG GLU 18 10.340 4.439 -2.582 142 2HG GLU 18 1HG GLU 18 9.273 3.431 -1.538 143 H GLU 19 H GLU 19 9.663 4.238 -6.185 144 HA GLU 19 HA GLU 19 11.043 6.565 -5.736 145 1HB GLU 19 2HB GLU 19 10.379 5.092 -8.329 146 2HB GLU 19 1HB GLU 19 11.400 6.558 -8.272 147 1HG GLU 19 2HG GLU 19 12.876 5.301 -6.528 148 2HG GLU 19 1HG GLU 19 12.038 3.803 -7.098 149 H ARG 20 H ARG 20 8.160 6.242 -7.885 150 HA ARG 20 HA ARG 20 8.179 8.794 -8.854 151 1HB ARG 20 2HB ARG 20 6.764 7.015 -9.749 152 2HB ARG 20 1HB ARG 20 5.801 7.035 -8.258 153 1HG ARG 20 2HG ARG 20 4.493 8.201 -9.717 154 2HG ARG 20 1HG ARG 20 5.210 9.535 -8.815 155 1HD ARG 20 2HD ARG 20 6.166 8.561 -11.598 156 2HD ARG 20 1HD ARG 20 4.929 9.849 -11.303 157 HE ARG 20 HE ARG 20 7.242 10.671 -9.862 158 1HH1 ARG 20 1HH1 ARG 20 6.097 10.497 -13.211 159 2HH1 ARG 20 2HH1 ARG 20 7.438 11.270 -13.863 160 1HH2 ARG 20 1HH2 ARG 20 8.812 11.937 -10.667 161 2HH2 ARG 20 2HH2 ARG 20 9.150 12.104 -12.375 162 H LEU 21 H LEU 21 6.517 7.594 -5.892 163 HA LEU 21 HA LEU 21 5.549 10.258 -5.442 164 1HB LEU 21 2HB LEU 21 4.215 8.210 -5.118 165 2HB LEU 21 1HB LEU 21 5.247 7.775 -3.726 166 HG LEU 21 HG LEU 21 4.441 9.680 -2.456 167 1HD1 LEU 21 1HD1 LEU 21 2.653 11.240 -3.331 168 2HD1 LEU 21 2HD1 LEU 21 2.931 10.592 -4.990 169 3HD1 LEU 21 3HD1 LEU 21 4.246 11.482 -4.126 170 1HD2 LEU 21 1HD2 LEU 21 2.028 8.438 -3.928 171 2HD2 LEU 21 2HD2 LEU 21 2.076 9.051 -2.232 172 3HD2 LEU 21 3HD2 LEU 21 3.012 7.570 -2.700 173 H ASP 22 H ASP 22 8.179 8.281 -3.958 174 HA ASP 22 HA ASP 22 8.640 10.076 -1.898 175 1HB ASP 22 2HB ASP 22 9.363 7.673 -2.069 176 2HB ASP 22 1HB ASP 22 10.585 8.152 -3.295 177 H ASP 23 H ASP 23 9.846 10.078 -5.242 178 HA ASP 23 HA ASP 23 11.636 12.208 -4.880 179 1HB ASP 23 2HB ASP 23 11.792 10.612 -6.705 180 2HB ASP 23 1HB ASP 23 10.149 11.011 -7.271 181 H TRP 24 H TRP 24 8.139 12.191 -5.023 182 HA TRP 24 HA TRP 24 8.010 14.643 -6.438 183 1HB TRP 24 2HB TRP 24 6.404 12.545 -6.340 184 2HB TRP 24 1HB TRP 24 5.651 13.415 -4.979 185 HD1 TRP 24 HD TRP 24 6.337 13.693 -8.828 186 HE1 TRP 24 1HE TRP 24 4.552 15.267 -9.831 187 HE3 TRP 24 3HE TRP 24 4.127 15.266 -4.535 188 HZ2 TRP 24 2HZ TRP 24 2.707 17.168 -8.896 189 HZ3 TRP 24 3HZ TRP 24 2.330 16.921 -4.667 190 HH2 TRP 24 HH TRP 24 1.657 17.881 -6.792 191 H ASP 25 H ASP 25 7.118 16.667 -5.773 192 HA ASP 25 HA ASP 25 7.339 17.134 -2.891 193 1HB ASP 25 2HB ASP 25 9.365 17.763 -4.548 194 2HB ASP 25 1HB ASP 25 8.305 19.140 -5.001 195 H GLY 26 H GLY 26 5.725 18.428 -2.036 196 1HA GLY 26 2HA GLY 26 4.029 19.985 -3.762 197 2HA GLY 26 1HA GLY 26 3.362 18.393 -3.261 198 H ASP 27 H ASP 27 1.651 19.455 -2.181 199 HA ASP 27 HA ASP 27 2.273 20.931 0.200 200 1HB ASP 27 2HB ASP 27 0.105 21.076 -1.269 201 2HB ASP 27 1HB ASP 27 -0.411 19.573 -0.425 202 H SER 28 H SER 28 1.356 17.697 -0.801 203 HA SER 28 HA SER 28 1.424 16.452 1.690 204 1HB SER 28 2HB SER 28 2.049 15.245 -1.056 205 2HB SER 28 1HB SER 28 1.680 14.308 0.432 206 HG SER 28 HG SER 28 0.025 16.081 -1.009 207 H ASP 29 H ASP 29 2.958 15.339 2.842 208 HA ASP 29 HA ASP 29 5.713 15.362 1.861 209 1HB ASP 29 2HB ASP 29 5.113 16.745 3.978 210 2HB ASP 29 1HB ASP 29 4.698 15.183 4.766 211 H ILE 30 H ILE 30 6.856 13.255 2.278 212 HA ILE 30 HA ILE 30 4.992 11.040 2.085 213 HB ILE 30 HB ILE 30 7.152 11.822 0.095 214 1HG1 ILE 30 2HG1 ILE 30 5.167 13.168 -0.322 215 2HG1 ILE 30 1HG1 ILE 30 5.414 11.939 -1.585 216 1HG2 ILE 30 1HG2 ILE 30 7.183 9.391 0.333 217 2HG2 ILE 30 2HG2 ILE 30 6.297 9.792 -1.164 218 3HG2 ILE 30 3HG2 ILE 30 5.376 9.305 0.304 219 1HD1 ILE 30 1HD1 ILE 30 3.016 12.046 -1.070 220 2HD1 ILE 30 2HD1 ILE 30 3.335 11.833 0.687 221 3HD1 ILE 30 3HD1 ILE 30 3.637 10.469 -0.455 222 H ASP 31 H ASP 31 5.663 9.796 3.632 223 HA ASP 31 HA ASP 31 8.414 8.754 3.288 224 1HB ASP 31 2HB ASP 31 6.741 8.852 5.858 225 2HB ASP 31 1HB ASP 31 8.147 7.754 5.634 226 H CYS 32 H CYS 32 8.155 7.006 1.912 227 HA CYS 32 HA CYS 32 5.929 5.224 2.417 228 1HB CYS 32 2HB CYS 32 7.191 5.371 0.052 229 2HB CYS 32 1HB CYS 32 8.447 4.528 0.944 230 HG CYS 32 HG CYS 32 6.951 2.437 1.564 231 H GLU 33 H GLU 33 5.995 3.275 3.559 232 HA GLU 33 HA GLU 33 8.386 2.792 5.175 233 1HB GLU 33 2HB GLU 33 5.626 1.517 5.296 234 2HB GLU 33 1HB GLU 33 6.951 1.267 6.472 235 1HG GLU 33 2HG GLU 33 6.752 3.750 7.099 236 2HG GLU 33 1HG GLU 33 5.329 3.860 5.998 237 H ILE 34 H ILE 34 9.536 0.840 4.940 238 HA ILE 34 HA ILE 34 8.523 -1.093 3.041 239 HB ILE 34 HB ILE 34 10.164 -0.031 1.901 240 1HG1 ILE 34 2HG1 ILE 34 12.089 -1.634 1.794 241 2HG1 ILE 34 1HG1 ILE 34 11.551 -2.350 3.339 242 1HG2 ILE 34 1HG2 ILE 34 12.469 0.469 2.811 243 2HG2 ILE 34 2HG2 ILE 34 11.900 -0.001 4.455 244 3HG2 ILE 34 3HG2 ILE 34 11.176 1.418 3.604 245 1HD1 ILE 34 1HD1 ILE 34 10.842 -3.734 1.336 246 2HD1 ILE 34 2HD1 ILE 34 9.953 -2.323 0.671 247 3HD1 ILE 34 3HD1 ILE 34 9.387 -3.110 2.184 248 H ASN 35 H ASN 35 7.791 -2.547 4.153 249 HA ASN 35 HA ASN 35 9.411 -3.724 6.340 250 1HB ASN 35 2HB ASN 35 6.359 -3.779 6.025 251 2HB ASN 35 1HB ASN 35 7.297 -4.580 7.348 252 1HD2 ASN 35 1HD2 ASN 35 8.865 -2.946 8.572 253 2HD2 ASN 35 2HD2 ASN 35 8.273 -1.312 8.755 254 H GLY 36 H GLY 36 10.484 -4.602 4.369 255 1HA GLY 36 2HA GLY 36 11.151 -6.486 3.448 256 2HA GLY 36 1HA GLY 36 9.846 -7.338 4.331 257 H GLY 37 H GLY 37 7.848 -7.566 3.368 258 1HA GLY 37 2HA GLY 37 7.699 -7.101 0.458 259 2HA GLY 37 1HA GLY 37 7.076 -8.567 1.296 260 H VAL 38 H VAL 38 6.799 -5.484 2.873 261 HA VAL 38 HA VAL 38 4.116 -5.034 1.755 262 HB VAL 38 HB VAL 38 5.021 -4.637 4.629 263 1HG1 VAL 38 1HG1 VAL 38 2.575 -4.059 4.960 264 2HG1 VAL 38 2HG1 VAL 38 2.338 -4.085 3.184 265 3HG1 VAL 38 3HG1 VAL 38 3.423 -2.849 3.934 266 1HG2 VAL 38 1HG2 VAL 38 3.224 -6.356 5.099 267 2HG2 VAL 38 2HG2 VAL 38 4.617 -7.037 4.189 268 3HG2 VAL 38 3HG2 VAL 38 3.080 -6.654 3.328 269 H LEU 39 H LEU 39 3.973 -2.990 0.812 270 HA LEU 39 HA LEU 39 5.727 -0.931 1.909 271 1HB LEU 39 2HB LEU 39 4.554 -1.356 -0.853 272 2HB LEU 39 1HB LEU 39 5.072 0.263 -0.387 273 HG LEU 39 HG LEU 39 6.900 -2.188 -0.494 274 1HD1 LEU 39 1HD1 LEU 39 7.869 -1.072 -2.526 275 2HD1 LEU 39 2HD1 LEU 39 6.761 0.328 -2.318 276 3HD1 LEU 39 3HD1 LEU 39 6.083 -1.277 -2.756 277 1HD2 LEU 39 1HD2 LEU 39 7.666 0.756 -0.017 278 2HD2 LEU 39 2HD2 LEU 39 8.803 -0.611 -0.268 279 3HD2 LEU 39 3HD2 LEU 39 7.747 -0.586 1.196 280 H THR 40 H THR 40 4.789 0.480 3.042 281 HA THR 40 HA THR 40 1.935 1.029 2.616 282 HB THR 40 HB THR 40 2.353 1.853 5.192 283 HG1 THR 40 1HG THR 40 3.875 0.858 6.031 284 1HG2 THR 40 1HG2 THR 40 1.204 -0.305 5.869 285 2HG2 THR 40 2HG2 THR 40 1.497 -0.960 4.213 286 3HG2 THR 40 3HG2 THR 40 0.432 0.491 4.460 287 H ILE 41 H ILE 41 1.619 3.002 1.843 288 HA ILE 41 HA ILE 41 3.953 4.766 1.912 289 HB ILE 41 HB ILE 41 1.378 5.115 0.380 290 1HG1 ILE 41 2HG1 ILE 41 4.063 4.070 -0.652 291 2HG1 ILE 41 1HG1 ILE 41 2.707 2.990 -0.223 292 1HG2 ILE 41 1HG2 ILE 41 2.723 7.232 0.825 293 2HG2 ILE 41 2HG2 ILE 41 2.748 6.751 -0.895 294 3HG2 ILE 41 3HG2 ILE 41 4.182 6.413 0.140 295 1HD1 ILE 41 1HD1 ILE 41 2.659 5.148 -2.421 296 2HD1 ILE 41 2HD1 ILE 41 1.234 4.160 -1.909 297 3HD1 ILE 41 3HD1 ILE 41 2.676 3.360 -2.621 298 H THR 42 H THR 42 4.062 6.293 3.492 299 HA THR 42 HA THR 42 1.485 7.043 4.714 300 HB THR 42 HB THR 42 2.487 7.506 6.760 301 HG1 THR 42 1HG THR 42 4.865 6.957 5.404 302 1HG2 THR 42 1HG2 THR 42 1.685 5.184 6.261 303 2HG2 THR 42 2HG2 THR 42 3.083 5.190 7.396 304 3HG2 THR 42 3HG2 THR 42 3.328 4.736 5.676 305 H PHE 43 H PHE 43 0.684 9.007 4.366 306 HA PHE 43 HA PHE 43 2.636 11.142 3.986 307 1HB PHE 43 2HB PHE 43 0.711 12.255 2.577 308 2HB PHE 43 1HB PHE 43 1.903 11.117 1.909 309 HD1 PHE 43 1HD PHE 43 1.354 9.008 1.135 310 HD2 PHE 43 2HD PHE 43 -1.618 11.485 2.886 311 HE1 PHE 43 1HE PHE 43 -0.385 7.629 0.107 312 HE2 PHE 43 2HE PHE 43 -3.360 10.127 1.849 313 HZ PHE 43 HZ PHE 43 -2.764 8.181 0.472 314 H GLU 44 H GLU 44 1.759 13.365 4.258 315 HA GLU 44 HA GLU 44 1.927 13.558 6.878 316 1HB GLU 44 2HB GLU 44 2.395 15.764 6.305 317 2HB GLU 44 1HB GLU 44 2.633 14.838 4.819 318 1HG GLU 44 2HG GLU 44 1.583 16.533 3.863 319 2HG GLU 44 1HG GLU 44 0.120 15.561 4.194 320 H ASN 45 H ASN 45 -1.006 13.863 5.051 321 HA ASN 45 HA ASN 45 -2.512 14.935 7.230 322 1HB ASN 45 2HB ASN 45 -3.328 13.822 4.506 323 2HB ASN 45 1HB ASN 45 -4.535 14.347 5.736 324 1HD2 ASN 45 1HD2 ASN 45 -2.382 15.530 3.254 325 2HD2 ASN 45 2HD2 ASN 45 -2.548 17.206 3.656 326 H GLY 46 H GLY 46 -1.263 11.897 7.033 327 1HA GLY 46 2HA GLY 46 -1.406 10.593 8.859 328 2HA GLY 46 1HA GLY 46 -3.047 11.211 9.228 329 H SER 47 H SER 47 -3.033 10.510 6.021 330 HA SER 47 HA SER 47 -4.245 7.906 6.364 331 1HB SER 47 2HB SER 47 -4.974 8.472 3.920 332 2HB SER 47 1HB SER 47 -5.698 9.393 5.279 333 HG SER 47 HG SER 47 -4.999 10.835 3.682 334 H LYS 48 H LYS 48 -3.840 6.312 4.541 335 HA LYS 48 HA LYS 48 -1.233 6.426 3.415 336 1HB LYS 48 2HB LYS 48 -0.340 4.459 4.726 337 2HB LYS 48 1HB LYS 48 -0.509 5.956 5.672 338 1HG LYS 48 2HG LYS 48 -2.541 5.178 6.754 339 2HG LYS 48 1HG LYS 48 -2.638 3.745 5.686 340 1HD LYS 48 2HD LYS 48 -0.453 2.925 6.602 341 2HD LYS 48 1HD LYS 48 -0.378 4.336 7.703 342 1HE LYS 48 2HE LYS 48 -2.482 3.563 8.865 343 2HE LYS 48 1HE LYS 48 -2.614 2.194 7.699 344 1HZ LYS 48 1HZ LYS 48 -1.533 1.178 9.335 345 2HZ LYS 48 2HZ LYS 48 -0.733 2.572 9.918 346 3HZ LYS 48 3HZ LYS 48 -0.154 1.797 8.558 347 H ILE 49 H ILE 49 -0.574 4.520 2.304 348 HA ILE 49 HA ILE 49 -2.869 3.026 1.217 349 HB ILE 49 HB ILE 49 -0.038 3.209 0.128 350 1HG1 ILE 49 2HG1 ILE 49 -0.694 5.458 0.240 351 2HG1 ILE 49 1HG1 ILE 49 -0.788 4.910 -1.459 352 1HG2 ILE 49 1HG2 ILE 49 -1.131 2.581 -2.016 353 2HG2 ILE 49 2HG2 ILE 49 -2.728 2.503 -1.192 354 3HG2 ILE 49 3HG2 ILE 49 -1.429 1.328 -0.764 355 1HD1 ILE 49 1HD1 ILE 49 -3.329 4.645 -1.190 356 2HD1 ILE 49 2HD1 ILE 49 -2.725 6.339 -1.072 357 3HD1 ILE 49 3HD1 ILE 49 -3.188 5.441 0.413 358 H ILE 50 H ILE 50 -2.812 0.717 1.304 359 HA ILE 50 HA ILE 50 -0.595 -0.367 2.900 360 HB ILE 50 HB ILE 50 -3.248 -1.656 2.887 361 1HG1 ILE 50 2HG1 ILE 50 -3.874 0.711 3.394 362 2HG1 ILE 50 1HG1 ILE 50 -4.156 -0.491 4.663 363 1HG2 ILE 50 1HG2 ILE 50 -2.532 -2.306 5.163 364 2HG2 ILE 50 2HG2 ILE 50 -0.995 -1.396 4.963 365 3HG2 ILE 50 3HG2 ILE 50 -1.356 -2.807 3.892 366 1HD1 ILE 50 1HD1 ILE 50 -2.164 0.315 5.952 367 2HD1 ILE 50 2HD1 ILE 50 -3.291 1.668 5.581 368 3HD1 ILE 50 3HD1 ILE 50 -1.769 1.489 4.640 369 H ILE 51 H ILE 51 0.651 -1.501 1.415 370 HA ILE 51 HA ILE 51 -0.845 -3.409 -0.266 371 HB ILE 51 HB ILE 51 1.738 -2.147 -1.074 372 1HG1 ILE 51 2HG1 ILE 51 -1.217 -1.427 -1.342 373 2HG1 ILE 51 1HG1 ILE 51 0.115 -0.363 -0.950 374 1HG2 ILE 51 1HG2 ILE 51 -0.440 -3.816 -2.517 375 2HG2 ILE 51 2HG2 ILE 51 1.121 -4.492 -1.930 376 3HG2 ILE 51 3HG2 ILE 51 1.121 -3.247 -3.216 377 1HD1 ILE 51 1HD1 ILE 51 -0.702 0.060 -3.284 378 2HD1 ILE 51 2HD1 ILE 51 -0.483 -1.685 -3.678 379 3HD1 ILE 51 3HD1 ILE 51 0.970 -0.655 -3.387 380 H ASN 52 H ASN 52 -0.872 -5.055 0.816 381 HA ASN 52 HA ASN 52 1.601 -6.389 1.640 382 1HB ASN 52 2HB ASN 52 -1.275 -7.004 2.522 383 2HB ASN 52 1HB ASN 52 0.167 -7.962 2.954 384 1HD2 ASN 52 1HD2 ASN 52 0.223 -7.780 5.085 385 2HD2 ASN 52 2HD2 ASN 52 0.306 -6.270 5.970 386 H ARG 53 H ARG 53 1.876 -8.490 1.096 387 HA ARG 53 HA ARG 53 0.295 -9.618 -1.106 388 1HB ARG 53 2HB ARG 53 1.595 -7.827 -2.162 389 2HB ARG 53 1HB ARG 53 2.977 -8.244 -1.166 390 1HG ARG 53 2HG ARG 53 2.922 -10.575 -2.587 391 2HG ARG 53 1HG ARG 53 1.842 -9.666 -3.662 392 1HD ARG 53 2HD ARG 53 4.094 -9.504 -4.572 393 2HD ARG 53 1HD ARG 53 3.735 -7.878 -3.848 394 HE ARG 53 HE ARG 53 4.967 -9.898 -2.010 395 1HH1 ARG 53 1HH1 ARG 53 5.652 -6.858 -3.747 396 2HH1 ARG 53 2HH1 ARG 53 7.255 -6.832 -3.129 397 1HH2 ARG 53 1HH2 ARG 53 6.930 -9.746 -1.248 398 2HH2 ARG 53 2HH2 ARG 53 8.062 -8.514 -1.750 399 H GLN 54 H GLN 54 0.361 -11.708 -1.103 400 HA GLN 54 HA GLN 54 2.474 -13.127 0.330 401 1HB GLN 54 2HB GLN 54 -0.253 -13.739 -0.790 402 2HB GLN 54 1HB GLN 54 0.904 -15.070 -0.803 403 1HG GLN 54 2HG GLN 54 0.434 -13.475 1.801 404 2HG GLN 54 1HG GLN 54 -0.754 -14.694 1.247 405 1HE2 GLN 54 1HE2 GLN 54 2.920 -14.551 1.657 406 2HE2 GLN 54 2HE2 GLN 54 2.964 -16.163 2.307 407 H GLU 55 H GLU 55 4.183 -13.735 -0.737 408 HA GLU 55 HA GLU 55 4.522 -13.401 -3.492 409 1HB GLU 55 2HB GLU 55 6.414 -13.211 -2.148 410 2HB GLU 55 1HB GLU 55 6.169 -14.793 -1.388 411 1HG GLU 55 2HG GLU 55 6.697 -15.955 -3.540 412 2HG GLU 55 1HG GLU 55 6.931 -14.367 -4.357 413 HA PRO 56 HA PRO 56 3.313 -17.746 -4.445 414 1HB PRO 56 2HB PRO 56 2.066 -18.643 -1.808 415 2HB PRO 56 1HB PRO 56 2.890 -19.651 -3.065 416 1HG PRO 56 2HG PRO 56 4.194 -19.027 -0.746 417 2HG PRO 56 1HG PRO 56 5.075 -18.863 -2.330 418 1HD PRO 56 2HD PRO 56 3.634 -16.623 -0.762 419 2HD PRO 56 1HD PRO 56 5.327 -16.669 -1.445 420 H LEU 57 H LEU 57 0.991 -18.858 -4.491 421 HA LEU 57 HA LEU 57 -1.125 -18.881 -4.478 422 1HB LEU 57 2HB LEU 57 -1.425 -16.255 -3.020 423 2HB LEU 57 1HB LEU 57 -2.652 -17.553 -3.228 424 HG LEU 57 HG LEU 57 0.018 -17.794 -1.843 425 1HD1 LEU 57 1HD1 LEU 57 -1.505 -16.211 -0.620 426 2HD1 LEU 57 2HD1 LEU 57 -1.237 -17.706 0.356 427 3HD1 LEU 57 3HD1 LEU 57 -2.783 -17.486 -0.543 428 1HD2 LEU 57 1HD2 LEU 57 -2.388 -19.745 -1.792 429 2HD2 LEU 57 2HD2 LEU 57 -0.909 -19.918 -0.781 430 3HD2 LEU 57 3HD2 LEU 57 -0.790 -20.045 -2.572 431 H HIS 58 H HIS 58 0.334 -15.969 -5.397 432 HA HIS 58 HA HIS 58 0.349 -14.894 -7.346 433 1HB HIS 58 2HB HIS 58 -0.370 -17.335 -8.143 434 2HB HIS 58 1HB HIS 58 -1.867 -16.516 -8.631 435 HD1 HIS 58 1HD HIS 58 -1.551 -15.877 -11.097 436 HD2 HIS 58 2HD HIS 58 2.046 -15.871 -8.979 437 HE1 HIS 58 1HE HIS 58 0.290 -15.565 -12.817 438 H GLN 59 H GLN 59 -0.983 -13.577 -5.398 439 HA GLN 59 HA GLN 59 -2.731 -11.962 -6.949 440 1HB GLN 59 2HB GLN 59 -4.225 -13.878 -6.122 441 2HB GLN 59 1HB GLN 59 -3.923 -13.260 -4.467 442 1HG GLN 59 2HG GLN 59 -5.026 -11.122 -5.001 443 2HG GLN 59 1HG GLN 59 -5.072 -11.538 -6.751 444 1HE2 GLN 59 1HE2 GLN 59 -7.089 -11.988 -7.385 445 2HE2 GLN 59 2HE2 GLN 59 -8.328 -12.731 -6.449 446 H VAL 60 H VAL 60 -3.065 -9.935 -5.881 447 HA VAL 60 HA VAL 60 -1.418 -9.514 -3.470 448 HB VAL 60 HB VAL 60 -1.967 -7.548 -5.711 449 1HG1 VAL 60 1HG1 VAL 60 -0.243 -7.560 -3.150 450 2HG1 VAL 60 2HG1 VAL 60 -1.308 -6.249 -3.791 451 3HG1 VAL 60 3HG1 VAL 60 0.274 -6.593 -4.568 452 1HG2 VAL 60 1HG2 VAL 60 -0.585 -9.370 -6.663 453 2HG2 VAL 60 2HG2 VAL 60 0.490 -9.348 -5.211 454 3HG2 VAL 60 3HG2 VAL 60 0.444 -7.935 -6.327 455 H TRP 61 H TRP 61 -2.213 -7.769 -1.987 456 HA TRP 61 HA TRP 61 -5.062 -7.291 -2.350 457 1HB TRP 61 2HB TRP 61 -5.421 -7.402 -0.219 458 2HB TRP 61 1HB TRP 61 -3.938 -8.378 -0.178 459 HD1 TRP 61 HD TRP 61 -2.070 -5.523 -0.126 460 HE1 TRP 61 1HE TRP 61 -2.432 -3.826 1.803 461 HE3 TRP 61 3HE TRP 61 -6.186 -7.555 1.994 462 HZ2 TRP 61 2HZ TRP 61 -3.830 -3.838 4.285 463 HZ3 TRP 61 3HZ TRP 61 -6.980 -6.687 4.137 464 HH2 TRP 61 HH TRP 61 -5.807 -4.875 5.274 465 H LEU 62 H LEU 62 -5.925 -5.128 -2.162 466 HA LEU 62 HA LEU 62 -3.863 -3.032 -2.284 467 1HB LEU 62 2HB LEU 62 -5.085 -4.152 -4.433 468 2HB LEU 62 1HB LEU 62 -6.376 -3.015 -4.031 469 HG LEU 62 HG LEU 62 -4.925 -2.336 -5.806 470 1HD1 LEU 62 1HD1 LEU 62 -5.942 -0.512 -4.398 471 2HD1 LEU 62 2HD1 LEU 62 -4.390 0.012 -5.136 472 3HD1 LEU 62 3HD1 LEU 62 -4.439 -0.455 -3.397 473 1HD2 LEU 62 1HD2 LEU 62 -2.532 -1.733 -5.558 474 2HD2 LEU 62 2HD2 LEU 62 -2.819 -3.459 -5.118 475 3HD2 LEU 62 3HD2 LEU 62 -2.567 -2.229 -3.826 476 H ALA 63 H ALA 63 -4.349 -2.451 -0.025 477 HA ALA 63 HA ALA 63 -7.027 -1.334 0.263 478 1HB ALA 63 1HB ALA 63 -6.549 -2.984 1.951 479 2HB ALA 63 2HB ALA 63 -6.542 -1.349 2.708 480 3HB ALA 63 3HB ALA 63 -4.991 -2.209 2.339 481 H THR 64 H THR 64 -7.394 0.627 0.988 482 HA THR 64 HA THR 64 -5.448 2.682 0.607 483 HB THR 64 HB THR 64 -6.440 3.745 -1.293 484 HG1 THR 64 1HG THR 64 -7.802 2.495 -2.614 485 1HG2 THR 64 1HG2 THR 64 -5.821 0.818 -2.044 486 2HG2 THR 64 2HG2 THR 64 -4.591 2.079 -1.685 487 3HG2 THR 64 3HG2 THR 64 -5.687 2.279 -3.090 488 H LYS 65 H LYS 65 -8.152 4.115 -0.333 489 HA LYS 65 HA LYS 65 -9.248 4.533 2.320 490 1HB LYS 65 2HB LYS 65 -8.917 6.163 0.161 491 2HB LYS 65 1HB LYS 65 -10.556 5.618 -0.203 492 1HG LYS 65 2HG LYS 65 -9.603 6.994 2.385 493 2HG LYS 65 1HG LYS 65 -10.497 7.746 1.027 494 1HD LYS 65 2HD LYS 65 -12.385 6.033 1.492 495 2HD LYS 65 1HD LYS 65 -11.510 5.648 3.009 496 1HE LYS 65 2HE LYS 65 -11.669 8.166 3.605 497 2HE LYS 65 1HE LYS 65 -12.777 8.346 2.185 498 1HZ LYS 65 1HZ LYS 65 -14.157 6.565 3.235 499 2HZ LYS 65 2HZ LYS 65 -14.036 7.980 4.156 500 3HZ LYS 65 3HZ LYS 65 -13.117 6.615 4.574 501 H GLN 66 H GLN 66 -9.986 2.811 -0.726 502 HA GLN 66 HA GLN 66 -12.724 3.238 -0.337 503 1HB GLN 66 2HB GLN 66 -11.191 3.007 -2.481 504 2HB GLN 66 1HB GLN 66 -11.527 1.276 -2.320 505 1HG GLN 66 2HG GLN 66 -13.173 1.982 -3.833 506 2HG GLN 66 1HG GLN 66 -14.088 2.007 -2.296 507 1HE2 GLN 66 1HE2 GLN 66 -12.447 3.978 -4.772 508 2HE2 GLN 66 2HE2 GLN 66 -13.140 5.502 -4.334 509 H GLY 67 H GLY 67 -10.719 0.437 0.421 510 1HA GLY 67 2HA GLY 67 -12.518 -0.565 2.211 511 2HA GLY 67 1HA GLY 67 -12.875 -1.377 0.643 512 H GLY 68 H GLY 68 -10.422 -1.711 -0.412 513 1HA GLY 68 2HA GLY 68 -8.389 -2.797 0.051 514 2HA GLY 68 1HA GLY 68 -9.157 -3.670 1.421 515 H TYR 69 H TYR 69 -8.571 -3.575 -1.995 516 HA TYR 69 HA TYR 69 -10.418 -5.831 -2.420 517 1HB TYR 69 2HB TYR 69 -9.457 -3.638 -4.352 518 2HB TYR 69 1HB TYR 69 -10.750 -4.851 -4.667 519 HD1 TYR 69 1HD TYR 69 -12.163 -4.478 -1.877 520 HD2 TYR 69 2HD TYR 69 -10.737 -1.824 -4.885 521 HE1 TYR 69 1HE TYR 69 -13.880 -2.881 -1.274 522 HE2 TYR 69 2HE TYR 69 -12.472 -0.225 -4.286 523 HH TYR 69 HH TYR 69 -15.031 -1.057 -2.028 524 H HIS 70 H HIS 70 -9.571 -7.591 -3.707 525 HA HIS 70 HA HIS 70 -6.669 -7.431 -3.970 526 1HB HIS 70 2HB HIS 70 -6.897 -9.967 -4.533 527 2HB HIS 70 1HB HIS 70 -6.899 -9.335 -2.881 528 HD1 HIS 70 1HD HIS 70 -9.466 -10.930 -5.290 529 HD2 HIS 70 2HD HIS 70 -9.061 -9.669 -1.288 530 HE1 HIS 70 1HE HIS 70 -11.452 -11.715 -4.086 531 H PHE 71 H PHE 71 -5.573 -8.517 -5.703 532 HA PHE 71 HA PHE 71 -6.465 -6.978 -8.035 533 1HB PHE 71 2HB PHE 71 -5.211 -5.969 -5.992 534 2HB PHE 71 1HB PHE 71 -3.856 -7.043 -6.363 535 HD1 PHE 71 1HD PHE 71 -6.106 -4.698 -8.285 536 HD2 PHE 71 2HD PHE 71 -2.151 -5.756 -7.130 537 HE1 PHE 71 1HE PHE 71 -5.266 -2.646 -9.293 538 HE2 PHE 71 2HE PHE 71 -1.298 -3.703 -8.160 539 HZ PHE 71 HZ PHE 71 -2.851 -2.121 -9.188 540 H ASP 72 H ASP 72 -6.129 -8.028 -9.990 541 HA ASP 72 HA ASP 72 -3.936 -9.968 -10.100 542 1HB ASP 72 2HB ASP 72 -6.688 -10.077 -11.465 543 2HB ASP 72 1HB ASP 72 -5.293 -11.149 -11.857 544 H LEU 73 H LEU 73 -3.108 -10.247 -12.320 545 HA LEU 73 HA LEU 73 -3.081 -7.714 -13.833 546 1HB LEU 73 2HB LEU 73 -0.925 -8.601 -13.097 547 2HB LEU 73 1HB LEU 73 -1.309 -10.190 -13.802 548 HG LEU 73 HG LEU 73 -1.294 -9.200 -16.095 549 1HD1 LEU 73 1HD1 LEU 73 -1.932 -6.825 -15.589 550 2HD1 LEU 73 2HD1 LEU 73 -0.357 -6.912 -16.465 551 3HD1 LEU 73 3HD1 LEU 73 -0.379 -6.604 -14.693 552 1HD2 LEU 73 1HD2 LEU 73 0.777 -10.202 -15.100 553 2HD2 LEU 73 2HD2 LEU 73 1.226 -8.587 -14.430 554 3HD2 LEU 73 3HD2 LEU 73 1.169 -8.831 -16.210 555 H LYS 74 H LYS 74 -4.410 -7.513 -15.525 556 HA LYS 74 HA LYS 74 -5.445 -9.892 -16.776 557 1HB LYS 74 2HB LYS 74 -5.952 -6.931 -16.835 558 2HB LYS 74 1HB LYS 74 -6.412 -7.835 -18.300 559 1HG LYS 74 2HG LYS 74 -7.315 -8.577 -15.461 560 2HG LYS 74 1HG LYS 74 -8.267 -7.580 -16.597 561 1HD LYS 74 2HD LYS 74 -7.432 -10.495 -17.129 562 2HD LYS 74 1HD LYS 74 -8.992 -9.959 -16.448 563 1HE LYS 74 2HE LYS 74 -9.528 -8.697 -18.537 564 2HE LYS 74 1HE LYS 74 -7.942 -9.189 -19.252 565 1HZ LYS 74 1HZ LYS 74 -8.615 -11.486 -19.054 566 2HZ LYS 74 2HZ LYS 74 -9.722 -10.602 -19.968 567 3HZ LYS 74 3HZ LYS 74 -10.111 -11.042 -18.379 568 H GLY 75 H GLY 75 -3.333 -7.176 -17.743 569 1HA GLY 75 2HA GLY 75 -1.806 -8.862 -19.396 570 2HA GLY 75 1HA GLY 75 -2.982 -7.901 -20.373 571 H ASP 76 H ASP 76 -2.992 -5.473 -19.884 572 HA ASP 76 HA ASP 76 -0.273 -4.553 -19.826 573 1HB ASP 76 2HB ASP 76 -1.335 -2.403 -20.547 574 2HB ASP 76 1HB ASP 76 -1.636 -3.779 -21.647 575 H GLU 77 H GLU 77 -3.013 -4.806 -17.627 576 HA GLU 77 HA GLU 77 -1.847 -3.037 -15.671 577 1HB GLU 77 2HB GLU 77 -4.085 -2.266 -17.497 578 2HB GLU 77 1HB GLU 77 -4.327 -1.916 -15.760 579 1HG GLU 77 2HG GLU 77 -2.448 -0.438 -15.642 580 2HG GLU 77 1HG GLU 77 -1.735 -1.067 -17.164 581 H TRP 78 H TRP 78 -2.928 -3.236 -13.748 582 HA TRP 78 HA TRP 78 -3.914 -5.932 -13.400 583 1HB TRP 78 2HB TRP 78 -3.041 -3.746 -11.440 584 2HB TRP 78 1HB TRP 78 -3.699 -5.339 -10.941 585 HD1 TRP 78 HD TRP 78 -0.669 -4.170 -13.256 586 HE1 TRP 78 1HE TRP 78 1.328 -5.639 -12.617 587 HE3 TRP 78 3HE TRP 78 -2.932 -7.059 -9.751 588 HZ2 TRP 78 2HZ TRP 78 1.858 -7.771 -10.838 589 HZ3 TRP 78 3HZ TRP 78 -1.624 -8.766 -8.598 590 HH2 TRP 78 HH TRP 78 0.730 -9.105 -9.103 591 H ILE 79 H ILE 79 -5.987 -6.424 -13.161 592 HA ILE 79 HA ILE 79 -7.897 -4.225 -12.840 593 HB ILE 79 HB ILE 79 -8.202 -6.874 -14.239 594 1HG1 ILE 79 2HG1 ILE 79 -7.963 -3.926 -14.881 595 2HG1 ILE 79 1HG1 ILE 79 -7.163 -5.298 -15.679 596 1HG2 ILE 79 1HG2 ILE 79 -10.568 -6.269 -14.600 597 2HG2 ILE 79 2HG2 ILE 79 -10.380 -4.775 -13.617 598 3HG2 ILE 79 3HG2 ILE 79 -10.255 -6.408 -12.852 599 1HD1 ILE 79 1HD1 ILE 79 -9.460 -5.892 -16.742 600 2HD1 ILE 79 2HD1 ILE 79 -8.751 -4.321 -17.251 601 3HD1 ILE 79 3HD1 ILE 79 -10.086 -4.353 -16.050 602 H CYS 80 H CYS 80 -9.230 -4.240 -11.230 603 HA CYS 80 HA CYS 80 -8.309 -5.703 -9.022 604 1HB CYS 80 2HB CYS 80 -10.683 -3.815 -9.309 605 2HB CYS 80 1HB CYS 80 -10.116 -4.426 -7.736 606 HG CYS 80 HG CYS 80 -7.877 -3.393 -7.633 607 H ASP 81 H ASP 81 -9.509 -7.329 -7.789 608 HA ASP 81 HA ASP 81 -11.014 -9.048 -9.400 609 1HB ASP 81 2HB ASP 81 -9.272 -9.547 -7.629 610 2HB ASP 81 1HB ASP 81 -10.485 -9.114 -6.372 611 H ARG 82 H ARG 82 -11.917 -6.882 -6.684 612 HA ARG 82 HA ARG 82 -14.644 -7.773 -6.850 613 1HB ARG 82 2HB ARG 82 -15.060 -6.681 -4.912 614 2HB ARG 82 1HB ARG 82 -13.322 -7.005 -4.756 615 1HG ARG 82 2HG ARG 82 -13.362 -4.859 -4.048 616 2HG ARG 82 1HG ARG 82 -13.072 -4.515 -5.768 617 1HD ARG 82 2HD ARG 82 -15.857 -4.545 -5.716 618 2HD ARG 82 1HD ARG 82 -15.515 -4.134 -3.990 619 HE ARG 82 HE ARG 82 -14.032 -2.372 -5.858 620 1HH1 ARG 82 1HH1 ARG 82 -17.297 -2.910 -4.486 621 2HH1 ARG 82 2HH1 ARG 82 -17.720 -1.234 -4.694 622 1HH2 ARG 82 1HH2 ARG 82 -14.641 -0.342 -6.154 623 2HH2 ARG 82 2HH2 ARG 82 -16.226 0.257 -5.666 624 H SER 83 H SER 83 -16.305 -6.781 -7.856 625 HA SER 83 HA SER 83 -17.390 -5.627 -9.285 626 1HB SER 83 2HB SER 83 -16.994 -3.827 -7.613 627 2HB SER 83 1HB SER 83 -15.646 -3.219 -8.618 628 HG SER 83 HG SER 83 -17.597 -2.160 -9.073 629 H GLY 84 H GLY 84 -14.088 -4.504 -9.874 630 1HA GLY 84 2HA GLY 84 -13.166 -5.014 -12.126 631 2HA GLY 84 1HA GLY 84 -14.717 -4.297 -12.741 632 H GLU 85 H GLU 85 -11.611 -3.642 -11.278 633 HA GLU 85 HA GLU 85 -11.938 -0.833 -11.767 634 1HB GLU 85 2HB GLU 85 -11.254 -1.836 -8.963 635 2HB GLU 85 1HB GLU 85 -10.939 -0.176 -9.561 636 1HG GLU 85 2HG GLU 85 -13.355 0.175 -9.981 637 2HG GLU 85 1HG GLU 85 -13.719 -1.483 -9.377 638 H THR 86 H THR 86 -9.253 -0.277 -10.605 639 HA THR 86 HA THR 86 -7.800 -1.680 -12.742 640 HB THR 86 HB THR 86 -8.519 1.291 -12.775 641 HG1 THR 86 1HG THR 86 -9.618 -0.865 -14.194 642 1HG2 THR 86 1HG2 THR 86 -6.370 0.680 -14.025 643 2HG2 THR 86 2HG2 THR 86 -7.662 1.148 -15.172 644 3HG2 THR 86 3HG2 THR 86 -7.263 -0.594 -14.930 645 H PHE 87 H PHE 87 -5.615 -1.666 -12.272 646 HA PHE 87 HA PHE 87 -4.242 -0.925 -10.355 647 1HB PHE 87 2HB PHE 87 -3.622 -2.005 -12.499 648 2HB PHE 87 1HB PHE 87 -3.486 -0.422 -13.297 649 HD1 PHE 87 1HD PHE 87 -2.010 -0.218 -9.956 650 HD2 PHE 87 2HD PHE 87 -1.438 -1.643 -13.936 651 HE1 PHE 87 1HE PHE 87 0.357 -0.321 -9.573 652 HE2 PHE 87 2HE PHE 87 0.964 -1.781 -13.529 653 HZ PHE 87 HZ PHE 87 1.872 -1.152 -11.334 654 H TRP 88 H TRP 88 -3.462 1.426 -12.895 655 HA TRP 88 HA TRP 88 -2.478 3.108 -10.871 656 1HB TRP 88 2HB TRP 88 -2.890 3.696 -13.871 657 2HB TRP 88 1HB TRP 88 -1.899 4.611 -12.714 658 HD1 TRP 88 HD TRP 88 -1.464 1.898 -15.238 659 HE1 TRP 88 1HE TRP 88 0.966 0.975 -15.025 660 HE3 TRP 88 3HE TRP 88 -0.234 3.874 -10.728 661 HZ2 TRP 88 2HZ TRP 88 3.065 1.124 -13.216 662 HZ3 TRP 88 3HZ TRP 88 1.995 3.461 -9.822 663 HH2 TRP 88 HH TRP 88 3.619 2.103 -11.030 664 H ASP 89 H ASP 89 -5.410 2.880 -12.616 665 HA ASP 89 HA ASP 89 -6.358 5.503 -12.158 666 1HB ASP 89 2HB ASP 89 -7.142 3.258 -13.691 667 2HB ASP 89 1HB ASP 89 -8.482 3.424 -12.500 668 H LEU 90 H LEU 90 -7.039 2.426 -10.387 669 HA LEU 90 HA LEU 90 -8.776 3.742 -8.713 670 1HB LEU 90 2HB LEU 90 -9.362 1.998 -7.761 671 2HB LEU 90 1HB LEU 90 -8.638 1.158 -9.146 672 HG LEU 90 HG LEU 90 -7.260 1.515 -6.382 673 1HD1 LEU 90 1HD1 LEU 90 -9.454 0.585 -5.948 674 2HD1 LEU 90 2HD1 LEU 90 -8.212 -0.718 -5.798 675 3HD1 LEU 90 3HD1 LEU 90 -9.265 -0.622 -7.260 676 1HD2 LEU 90 1HD2 LEU 90 -5.697 0.691 -8.119 677 2HD2 LEU 90 2HD2 LEU 90 -6.892 -0.550 -8.649 678 3HD2 LEU 90 3HD2 LEU 90 -6.140 -0.663 -7.016 679 H LEU 91 H LEU 91 -5.530 2.702 -8.456 680 HA LEU 91 HA LEU 91 -4.740 3.526 -5.958 681 1HB LEU 91 2HB LEU 91 -3.385 2.210 -7.635 682 2HB LEU 91 1HB LEU 91 -3.068 3.724 -8.518 683 HG LEU 91 HG LEU 91 -1.939 4.607 -6.377 684 1HD1 LEU 91 1HD1 LEU 91 -2.959 3.027 -4.704 685 2HD1 LEU 91 2HD1 LEU 91 -1.167 2.897 -4.715 686 3HD1 LEU 91 3HD1 LEU 91 -2.162 1.637 -5.531 687 1HD2 LEU 91 1HD2 LEU 91 0.156 3.300 -6.783 688 2HD2 LEU 91 2HD2 LEU 91 -0.658 3.748 -8.331 689 3HD2 LEU 91 3HD2 LEU 91 -0.787 2.066 -7.696 690 H GLU 92 H GLU 92 -4.615 5.510 -8.922 691 HA GLU 92 HA GLU 92 -3.828 7.901 -7.807 692 1HB GLU 92 2HB GLU 92 -3.742 7.461 -10.149 693 2HB GLU 92 1HB GLU 92 -5.473 7.081 -10.220 694 1HG GLU 92 2HG GLU 92 -5.019 9.909 -9.337 695 2HG GLU 92 1HG GLU 92 -4.151 9.531 -10.854 696 H GLN 93 H GLN 93 -7.246 6.908 -8.514 697 HA GLN 93 HA GLN 93 -8.238 9.296 -7.485 698 1HB GLN 93 2HB GLN 93 -10.437 8.289 -7.535 699 2HB GLN 93 1HB GLN 93 -9.504 7.979 -9.037 700 1HG GLN 93 2HG GLN 93 -8.918 5.673 -7.983 701 2HG GLN 93 1HG GLN 93 -10.182 6.005 -6.749 702 1HE2 GLN 93 1HE2 GLN 93 -9.800 6.199 -10.360 703 2HE2 GLN 93 2HE2 GLN 93 -11.269 5.317 -10.706 704 H ALA 94 H ALA 94 -7.879 6.144 -5.883 705 HA ALA 94 HA ALA 94 -8.966 6.921 -3.440 706 1HB ALA 94 1HB ALA 94 -6.896 4.765 -4.091 707 2HB ALA 94 2HB ALA 94 -8.684 4.577 -4.080 708 3HB ALA 94 3HB ALA 94 -7.815 4.919 -2.536 709 H ALA 95 H ALA 95 -5.510 7.008 -4.522 710 HA ALA 95 HA ALA 95 -4.582 8.007 -2.078 711 1HB ALA 95 1HB ALA 95 -3.417 8.245 -4.913 712 2HB ALA 95 2HB ALA 95 -3.068 6.935 -3.733 713 3HB ALA 95 3HB ALA 95 -2.524 8.609 -3.386 714 H THR 96 H THR 96 -5.813 9.629 -4.968 715 HA THR 96 HA THR 96 -5.233 12.229 -4.247 716 HB THR 96 HB THR 96 -7.606 11.164 -5.816 717 HG1 THR 96 1HG THR 96 -5.679 10.736 -6.770 718 1HG2 THR 96 1HG2 THR 96 -7.664 13.502 -6.786 719 2HG2 THR 96 2HG2 THR 96 -6.473 14.032 -5.544 720 3HG2 THR 96 3HG2 THR 96 -8.116 13.483 -5.055 721 H GLN 97 H GLN 97 -8.217 10.359 -3.523 722 HA GLN 97 HA GLN 97 -9.255 12.519 -2.030 723 1HB GLN 97 2HB GLN 97 -11.083 11.157 -1.395 724 2HB GLN 97 1HB GLN 97 -10.714 10.968 -3.128 725 1HG GLN 97 2HG GLN 97 -9.624 8.774 -2.689 726 2HG GLN 97 1HG GLN 97 -9.926 8.936 -0.924 727 1HE2 GLN 97 1HE2 GLN 97 -11.824 9.185 -4.041 728 2HE2 GLN 97 2HE2 GLN 97 -13.137 8.210 -3.476 729 H GLN 98 H GLN 98 -7.307 9.712 -0.975 730 HA GLN 98 HA GLN 98 -7.506 10.271 1.739 731 1HB GLN 98 2HB GLN 98 -5.329 8.993 0.005 732 2HB GLN 98 1HB GLN 98 -5.292 8.988 1.800 733 1HG GLN 98 2HG GLN 98 -7.503 7.820 1.863 734 2HG GLN 98 1HG GLN 98 -7.564 7.787 0.085 735 1HE2 GLN 98 1HE2 GLN 98 -5.903 6.401 2.954 736 2HE2 GLN 98 2HE2 GLN 98 -5.026 5.204 2.091 737 H ALA 99 H ALA 99 -5.098 11.445 -0.678 738 HA ALA 99 HA ALA 99 -3.623 12.809 1.305 739 1HB ALA 99 1HB ALA 99 -2.294 13.596 -0.673 740 2HB ALA 99 2HB ALA 99 -3.567 12.933 -1.769 741 3HB ALA 99 3HB ALA 99 -2.602 11.827 -0.736 742 H GLY 100 H GLY 100 -5.917 13.898 -1.222 743 1HA GLY 100 2HA GLY 100 -7.207 15.760 -1.087 744 2HA GLY 100 1HA GLY 100 -6.090 16.497 0.109 745 H GLU 101 H GLU 101 -4.910 15.000 -2.846 746 HA GLU 101 HA GLU 101 -5.054 17.285 -4.442 747 1HB GLU 101 2HB GLU 101 -2.680 17.766 -4.748 748 2HB GLU 101 1HB GLU 101 -3.173 18.129 -3.076 749 1HG GLU 101 2HG GLU 101 -2.086 16.095 -2.215 750 2HG GLU 101 1HG GLU 101 -1.721 15.523 -3.886 751 H THR 102 H THR 102 -4.098 16.703 -6.645 752 HA THR 102 HA THR 102 -4.713 14.060 -7.210 753 HB THR 102 HB THR 102 -3.103 15.949 -8.945 754 HG1 THR 102 1HG THR 102 -5.087 16.352 -9.851 755 1HG2 THR 102 1HG2 THR 102 -4.049 14.493 -10.804 756 2HG2 THR 102 2HG2 THR 102 -4.759 13.392 -9.576 757 3HG2 THR 102 3HG2 THR 102 -2.976 13.540 -9.748 758 H VAL 103 H VAL 103 -3.609 12.320 -6.621 759 HA VAL 103 HA VAL 103 -0.685 12.339 -6.798 760 HB VAL 103 HB VAL 103 -2.545 10.232 -5.701 761 1HG1 VAL 103 1HG1 VAL 103 -0.390 9.396 -4.642 762 2HG1 VAL 103 2HG1 VAL 103 0.525 10.664 -5.530 763 3HG1 VAL 103 3HG1 VAL 103 -0.309 9.339 -6.438 764 1HG2 VAL 103 1HG2 VAL 103 -2.742 12.257 -4.287 765 2HG2 VAL 103 2HG2 VAL 103 -0.951 12.479 -4.298 766 3HG2 VAL 103 3HG2 VAL 103 -1.694 11.073 -3.440 767 H SER 104 H SER 104 0.015 11.838 -8.733 768 HA SER 104 HA SER 104 -1.364 9.786 -10.298 769 1HB SER 104 2HB SER 104 -1.368 11.211 -12.355 770 2HB SER 104 1HB SER 104 -2.476 11.764 -11.061 771 HG SER 104 HG SER 104 -1.179 13.413 -12.049 772 H PHE 105 H PHE 105 -0.070 8.369 -11.175 773 HA PHE 105 HA PHE 105 2.641 9.168 -11.894 774 1HB PHE 105 2HB PHE 105 2.764 7.216 -10.687 775 2HB PHE 105 1HB PHE 105 1.250 6.563 -11.303 776 HD1 PHE 105 1HD PHE 105 1.144 5.428 -13.413 777 HD2 PHE 105 2HD PHE 105 4.831 6.880 -11.899 778 HE1 PHE 105 1HE PHE 105 2.347 4.039 -15.031 779 HE2 PHE 105 2HE PHE 105 6.045 5.503 -13.523 780 HZ PHE 105 HZ PHE 105 4.802 4.079 -15.097 781 H ARG 106 H ARG 106 -0.541 8.821 -13.279 782 HA ARG 106 HA ARG 106 0.597 8.416 -15.942 783 1HB ARG 106 2HB ARG 106 -2.213 8.241 -14.786 784 2HB ARG 106 1HB ARG 106 -1.890 8.190 -16.538 785 1HG ARG 106 2HG ARG 106 -0.535 6.227 -14.625 786 2HG ARG 106 1HG ARG 106 -2.192 5.940 -15.205 787 1HD ARG 106 2HD ARG 106 0.114 6.424 -17.192 788 2HD ARG 106 1HD ARG 106 -0.230 4.806 -16.485 789 HE ARG 106 HE ARG 106 -2.276 6.452 -18.038 790 1HH1 ARG 106 1HH1 ARG 106 -0.819 3.251 -17.547 791 2HH1 ARG 106 2HH1 ARG 106 -2.248 2.408 -18.013 792 1HH2 ARG 106 1HH2 ARG 106 -4.115 5.291 -18.696 793 2HH2 ARG 106 2HH2 ARG 106 -4.058 3.575 -18.838 Start of MODEL 18 1 HA MET 1 HA MET 1 -0.543 -19.844 -10.890 2 1HB MET 1 2HB MET 1 0.787 -18.696 -13.406 3 2HB MET 1 1HB MET 1 0.288 -20.395 -13.156 4 1HG MET 1 2HG MET 1 -2.117 -19.589 -12.931 5 2HG MET 1 1HG MET 1 -1.551 -17.939 -13.296 6 1HE MET 1 1HE MET 1 -0.844 -21.625 -14.667 7 2HE MET 1 2HE MET 1 -1.857 -21.576 -16.146 8 3HE MET 1 3HE MET 1 -2.625 -21.375 -14.538 9 H ASN 2 H ASN 2 2.343 -17.807 -11.569 10 HA ASN 2 HA ASN 2 3.996 -20.035 -10.618 11 1HB ASN 2 2HB ASN 2 4.088 -19.426 -13.044 12 2HB ASN 2 1HB ASN 2 4.572 -17.774 -12.600 13 1HD2 ASN 2 1HD2 ASN 2 5.564 -21.233 -12.475 14 2HD2 ASN 2 2HD2 ASN 2 7.265 -20.914 -12.526 15 H ASP 3 H ASP 3 5.429 -19.802 -9.021 16 HA ASP 3 HA ASP 3 5.405 -17.643 -7.298 17 1HB ASP 3 2HB ASP 3 7.349 -19.973 -7.761 18 2HB ASP 3 1HB ASP 3 7.615 -18.762 -6.457 19 H SER 4 H SER 4 7.992 -18.537 -9.662 20 HA SER 4 HA SER 4 9.548 -16.336 -8.951 21 1HB SER 4 2HB SER 4 9.628 -18.054 -11.470 22 2HB SER 4 1HB SER 4 10.786 -16.720 -11.119 23 HG SER 4 HG SER 4 11.627 -18.648 -10.398 24 H GLU 5 H GLU 5 7.040 -16.661 -11.435 25 HA GLU 5 HA GLU 5 7.424 -14.159 -12.596 26 1HB GLU 5 2HB GLU 5 5.959 -15.932 -13.548 27 2HB GLU 5 1HB GLU 5 4.810 -15.688 -12.195 28 1HG GLU 5 2HG GLU 5 4.443 -13.309 -12.932 29 2HG GLU 5 1HG GLU 5 5.605 -13.547 -14.290 30 H PHE 6 H PHE 6 5.068 -15.001 -9.909 31 HA PHE 6 HA PHE 6 4.429 -12.484 -9.292 32 1HB PHE 6 2HB PHE 6 3.529 -14.733 -8.448 33 2HB PHE 6 1HB PHE 6 4.947 -14.835 -7.352 34 HD1 PHE 6 1HD PHE 6 2.352 -12.347 -8.430 35 HD2 PHE 6 2HD PHE 6 4.546 -14.054 -5.208 36 HE1 PHE 6 1HE PHE 6 1.190 -10.881 -6.878 37 HE2 PHE 6 2HE PHE 6 3.332 -12.612 -3.624 38 HZ PHE 6 HZ PHE 6 1.654 -11.023 -4.464 39 H HIS 7 H HIS 7 7.265 -14.233 -8.009 40 HA HIS 7 HA HIS 7 8.213 -12.339 -6.315 41 1HB HIS 7 2HB HIS 7 8.910 -14.798 -6.945 42 2HB HIS 7 1HB HIS 7 10.077 -14.050 -8.053 43 HD1 HIS 7 1HD HIS 7 11.580 -12.030 -6.296 44 HD2 HIS 7 2HD HIS 7 9.902 -15.551 -4.742 45 HE1 HIS 7 1HE HIS 7 12.871 -12.587 -4.249 46 H ARG 8 H ARG 8 9.230 -12.710 -9.755 47 HA ARG 8 HA ARG 8 10.971 -10.542 -9.733 48 1HB ARG 8 2HB ARG 8 9.503 -11.988 -11.986 49 2HB ARG 8 1HB ARG 8 10.680 -10.670 -12.278 50 1HG ARG 8 2HG ARG 8 12.431 -11.955 -11.064 51 2HG ARG 8 1HG ARG 8 11.317 -13.344 -10.919 52 1HD ARG 8 2HD ARG 8 12.287 -12.089 -13.584 53 2HD ARG 8 1HD ARG 8 13.006 -13.528 -12.789 54 HE ARG 8 HE ARG 8 11.075 -14.835 -13.276 55 1HH1 ARG 8 1HH1 ARG 8 11.138 -11.898 -15.166 56 2HH1 ARG 8 2HH1 ARG 8 9.619 -12.119 -15.884 57 1HH2 ARG 8 1HH2 ARG 8 9.108 -15.283 -14.399 58 2HH2 ARG 8 2HH2 ARG 8 8.454 -14.090 -15.475 59 H LEU 9 H LEU 9 7.565 -10.711 -10.986 60 HA LEU 9 HA LEU 9 7.520 -8.074 -11.814 61 1HB LEU 9 2HB LEU 9 5.315 -9.986 -10.876 62 2HB LEU 9 1HB LEU 9 4.991 -8.406 -11.652 63 HG LEU 9 HG LEU 9 6.484 -10.744 -12.959 64 1HD1 LEU 9 1HD1 LEU 9 3.626 -9.670 -13.418 65 2HD1 LEU 9 2HD1 LEU 9 4.044 -11.159 -12.488 66 3HD1 LEU 9 3HD1 LEU 9 4.414 -11.065 -14.252 67 1HD2 LEU 9 1HD2 LEU 9 5.522 -8.052 -14.136 68 2HD2 LEU 9 2HD2 LEU 9 6.150 -9.445 -15.089 69 3HD2 LEU 9 3HD2 LEU 9 7.238 -8.581 -13.945 70 H ALA 10 H ALA 10 6.487 -9.498 -8.680 71 HA ALA 10 HA ALA 10 5.480 -7.173 -7.605 72 1HB ALA 10 1HB ALA 10 5.074 -9.404 -6.637 73 2HB ALA 10 2HB ALA 10 5.777 -8.288 -5.405 74 3HB ALA 10 3HB ALA 10 6.814 -9.549 -6.211 75 H ASP 11 H ASP 11 8.870 -8.377 -7.529 76 HA ASP 11 HA ASP 11 9.773 -6.358 -5.845 77 1HB ASP 11 2HB ASP 11 10.764 -8.672 -6.636 78 2HB ASP 11 1HB ASP 11 11.459 -7.751 -8.004 79 H GLN 12 H GLN 12 9.804 -6.546 -9.441 80 HA GLN 12 HA GLN 12 10.904 -4.046 -9.813 81 1HB GLN 12 2HB GLN 12 8.969 -5.563 -11.626 82 2HB GLN 12 1HB GLN 12 9.977 -4.146 -12.086 83 1HG GLN 12 2HG GLN 12 12.030 -5.528 -11.321 84 2HG GLN 12 1HG GLN 12 10.961 -6.959 -11.298 85 1HE2 GLN 12 1HE2 GLN 12 13.059 -7.104 -12.998 86 2HE2 GLN 12 2HE2 GLN 12 12.548 -6.918 -14.642 87 H LEU 13 H LEU 13 7.317 -4.788 -9.692 88 HA LEU 13 HA LEU 13 6.703 -2.137 -10.204 89 1HB LEU 13 2HB LEU 13 4.476 -2.711 -9.699 90 2HB LEU 13 1HB LEU 13 5.237 -3.929 -10.774 91 HG LEU 13 HG LEU 13 5.549 -5.200 -8.389 92 1HD1 LEU 13 1HD1 LEU 13 3.486 -4.937 -6.999 93 2HD1 LEU 13 2HD1 LEU 13 2.915 -3.603 -8.062 94 3HD1 LEU 13 3HD1 LEU 13 4.374 -3.366 -7.050 95 1HD2 LEU 13 1HD2 LEU 13 3.448 -6.463 -8.966 96 2HD2 LEU 13 2HD2 LEU 13 4.436 -6.109 -10.434 97 3HD2 LEU 13 3HD2 LEU 13 2.966 -5.136 -10.091 98 H TRP 14 H TRP 14 7.038 -3.863 -7.144 99 HA TRP 14 HA TRP 14 6.485 -1.870 -5.344 100 1HB TRP 14 2HB TRP 14 8.520 -4.129 -5.438 101 2HB TRP 14 1HB TRP 14 8.671 -2.924 -4.141 102 HD1 TRP 14 HD TRP 14 5.126 -4.338 -5.099 103 HE1 TRP 14 1HE TRP 14 4.184 -5.204 -2.852 104 HE3 TRP 14 3HE TRP 14 9.354 -4.021 -2.322 105 HZ2 TRP 14 2HZ TRP 14 5.158 -5.671 -0.243 106 HZ3 TRP 14 3HZ TRP 14 9.288 -4.686 0.030 107 HH2 TRP 14 HH TRP 14 7.242 -5.474 1.053 108 H LEU 15 H LEU 15 9.732 -2.400 -6.786 109 HA LEU 15 HA LEU 15 10.855 -0.130 -5.684 110 1HB LEU 15 2HB LEU 15 12.135 -1.984 -6.596 111 2HB LEU 15 1HB LEU 15 11.468 -1.704 -8.228 112 HG LEU 15 HG LEU 15 12.683 0.440 -8.391 113 1HD1 LEU 15 1HD1 LEU 15 12.776 1.146 -5.989 114 2HD1 LEU 15 2HD1 LEU 15 14.424 1.067 -6.698 115 3HD1 LEU 15 3HD1 LEU 15 13.852 -0.256 -5.615 116 1HD2 LEU 15 1HD2 LEU 15 14.449 -1.931 -7.506 117 2HD2 LEU 15 2HD2 LEU 15 14.999 -0.523 -8.489 118 3HD2 LEU 15 3HD2 LEU 15 13.771 -1.670 -9.158 119 H THR 16 H THR 16 9.195 -0.523 -8.752 120 HA THR 16 HA THR 16 9.613 2.008 -9.789 121 HB THR 16 HB THR 16 7.199 0.204 -10.182 122 HG1 THR 16 1HG THR 16 9.115 -0.774 -10.743 123 1HG2 THR 16 1HG2 THR 16 7.066 1.401 -12.400 124 2HG2 THR 16 2HG2 THR 16 8.338 2.556 -11.852 125 3HG2 THR 16 3HG2 THR 16 6.731 2.508 -11.035 126 H ILE 17 H ILE 17 6.697 0.916 -7.944 127 HA ILE 17 HA ILE 17 5.557 3.416 -7.797 128 HB ILE 17 HB ILE 17 5.288 1.017 -5.967 129 1HG1 ILE 17 2HG1 ILE 17 3.485 2.064 -8.237 130 2HG1 ILE 17 1HG1 ILE 17 4.731 0.817 -8.521 131 1HG2 ILE 17 1HG2 ILE 17 3.091 2.080 -5.345 132 2HG2 ILE 17 2HG2 ILE 17 3.572 3.567 -6.240 133 3HG2 ILE 17 3HG2 ILE 17 4.485 3.028 -4.775 134 1HD1 ILE 17 1HD1 ILE 17 3.675 -0.687 -6.834 135 2HD1 ILE 17 2HD1 ILE 17 2.581 -0.289 -8.206 136 3HD1 ILE 17 3HD1 ILE 17 2.339 0.504 -6.606 137 H GLU 18 H GLU 18 7.737 1.813 -5.451 138 HA GLU 18 HA GLU 18 7.663 3.762 -3.519 139 1HB GLU 18 2HB GLU 18 8.656 1.409 -3.452 140 2HB GLU 18 1HB GLU 18 10.066 2.036 -4.319 141 1HG GLU 18 2HG GLU 18 10.521 3.637 -2.417 142 2HG GLU 18 1HG GLU 18 9.087 2.993 -1.540 143 H GLU 19 H GLU 19 10.042 3.471 -6.166 144 HA GLU 19 HA GLU 19 11.417 5.795 -5.522 145 1HB GLU 19 2HB GLU 19 12.188 3.867 -6.911 146 2HB GLU 19 1HB GLU 19 11.150 4.428 -8.246 147 1HG GLU 19 2HG GLU 19 12.499 6.571 -8.382 148 2HG GLU 19 1HG GLU 19 13.449 6.049 -6.941 149 H ARG 20 H ARG 20 8.718 5.330 -7.821 150 HA ARG 20 HA ARG 20 8.832 7.932 -8.831 151 1HB ARG 20 2HB ARG 20 7.823 5.894 -9.929 152 2HB ARG 20 1HB ARG 20 6.478 5.991 -8.769 153 1HG ARG 20 2HG ARG 20 5.765 6.983 -10.862 154 2HG ARG 20 1HG ARG 20 5.929 8.297 -9.665 155 1HD ARG 20 2HD ARG 20 8.274 8.771 -10.719 156 2HD ARG 20 1HD ARG 20 7.836 7.587 -12.005 157 HE ARG 20 HE ARG 20 6.359 10.152 -11.292 158 1HH1 ARG 20 1HH1 ARG 20 7.271 7.786 -13.863 159 2HH1 ARG 20 2HH1 ARG 20 6.924 8.983 -15.062 160 1HH2 ARG 20 1HH2 ARG 20 5.428 11.331 -12.991 161 2HH2 ARG 20 2HH2 ARG 20 5.429 10.703 -14.592 162 H LEU 21 H LEU 21 6.988 6.595 -6.083 163 HA LEU 21 HA LEU 21 5.655 9.086 -5.667 164 1HB LEU 21 2HB LEU 21 5.933 6.557 -3.989 165 2HB LEU 21 1HB LEU 21 4.973 7.983 -3.474 166 HG LEU 21 HG LEU 21 4.470 6.363 -6.035 167 1HD1 LEU 21 1HD1 LEU 21 2.968 6.412 -3.346 168 2HD1 LEU 21 2HD1 LEU 21 4.030 5.078 -3.926 169 3HD1 LEU 21 3HD1 LEU 21 2.501 5.461 -4.810 170 1HD2 LEU 21 1HD2 LEU 21 2.881 8.650 -4.686 171 2HD2 LEU 21 2HD2 LEU 21 2.244 7.605 -6.007 172 3HD2 LEU 21 3HD2 LEU 21 3.646 8.690 -6.322 173 H ASP 22 H ASP 22 8.585 7.574 -4.264 174 HA ASP 22 HA ASP 22 9.108 9.510 -2.383 175 1HB ASP 22 2HB ASP 22 10.206 7.304 -2.578 176 2HB ASP 22 1HB ASP 22 10.918 7.771 -4.151 177 H ASP 23 H ASP 23 9.609 9.593 -5.881 178 HA ASP 23 HA ASP 23 11.086 11.982 -5.899 179 1HB ASP 23 2HB ASP 23 10.981 10.187 -7.687 180 2HB ASP 23 1HB ASP 23 9.305 10.711 -8.065 181 H TRP 24 H TRP 24 7.701 11.525 -5.225 182 HA TRP 24 HA TRP 24 6.918 13.835 -6.683 183 1HB TRP 24 2HB TRP 24 5.519 11.795 -6.357 184 2HB TRP 24 1HB TRP 24 5.359 12.212 -4.632 185 HD1 TRP 24 HD TRP 24 2.995 13.267 -4.253 186 HE1 TRP 24 1HE TRP 24 1.370 14.738 -5.623 187 HE3 TRP 24 3HE TRP 24 5.790 13.842 -8.466 188 HZ2 TRP 24 2HZ TRP 24 1.329 15.982 -8.138 189 HZ3 TRP 24 3HZ TRP 24 4.904 15.180 -10.295 190 HH2 TRP 24 HH TRP 24 2.720 16.238 -10.140 191 H ASP 25 H ASP 25 5.844 15.705 -5.886 192 HA ASP 25 HA ASP 25 6.475 16.559 -3.239 193 1HB ASP 25 2HB ASP 25 8.559 16.805 -5.013 194 2HB ASP 25 1HB ASP 25 7.679 18.296 -5.456 195 H GLY 26 H GLY 26 5.975 19.054 -3.239 196 1HA GLY 26 2HA GLY 26 4.327 20.394 -4.830 197 2HA GLY 26 1HA GLY 26 3.217 19.199 -4.060 198 H ASP 27 H ASP 27 2.007 20.349 -2.628 199 HA ASP 27 HA ASP 27 3.231 22.192 -0.778 200 1HB ASP 27 2HB ASP 27 0.434 21.072 -1.491 201 2HB ASP 27 1HB ASP 27 0.701 22.037 -0.004 202 H SER 28 H SER 28 2.036 18.917 -1.126 203 HA SER 28 HA SER 28 2.113 18.390 1.708 204 1HB SER 28 2HB SER 28 1.361 16.726 -0.731 205 2HB SER 28 1HB SER 28 1.391 16.029 0.922 206 HG SER 28 HG SER 28 -0.559 17.358 -0.147 207 H ASP 29 H ASP 29 3.024 16.200 2.372 208 HA ASP 29 HA ASP 29 5.691 15.794 1.262 209 1HB ASP 29 2HB ASP 29 5.620 17.042 3.518 210 2HB ASP 29 1HB ASP 29 4.821 15.590 4.221 211 H ILE 30 H ILE 30 6.389 13.491 1.501 212 HA ILE 30 HA ILE 30 4.393 11.563 1.843 213 HB ILE 30 HB ILE 30 3.553 12.596 -0.147 214 1HG1 ILE 30 2HG1 ILE 30 3.165 10.194 0.351 215 2HG1 ILE 30 1HG1 ILE 30 2.987 10.720 -1.343 216 1HG2 ILE 30 1HG2 ILE 30 5.648 13.434 -1.163 217 2HG2 ILE 30 2HG2 ILE 30 4.671 12.460 -2.314 218 3HG2 ILE 30 3HG2 ILE 30 6.140 11.750 -1.571 219 1HD1 ILE 30 1HD1 ILE 30 5.251 9.720 -1.894 220 2HD1 ILE 30 2HD1 ILE 30 4.033 8.528 -1.332 221 3HD1 ILE 30 3HD1 ILE 30 5.332 9.059 -0.221 222 H ASP 31 H ASP 31 5.442 9.970 2.618 223 HA ASP 31 HA ASP 31 7.947 9.141 1.367 224 1HB ASP 31 2HB ASP 31 8.420 10.554 3.440 225 2HB ASP 31 1HB ASP 31 7.587 9.305 4.429 226 H CYS 32 H CYS 32 8.054 6.890 1.014 227 HA CYS 32 HA CYS 32 5.767 5.405 2.024 228 1HB CYS 32 2HB CYS 32 7.853 4.870 -0.124 229 2HB CYS 32 1HB CYS 32 6.499 3.775 0.290 230 HG CYS 32 HG CYS 32 5.758 4.777 -1.834 231 H GLU 33 H GLU 33 5.944 3.589 3.216 232 HA GLU 33 HA GLU 33 8.546 3.238 4.566 233 1HB GLU 33 2HB GLU 33 5.711 2.549 5.494 234 2HB GLU 33 1HB GLU 33 7.216 2.279 6.421 235 1HG GLU 33 2HG GLU 33 7.593 4.816 6.407 236 2HG GLU 33 1HG GLU 33 5.954 4.996 5.679 237 H ILE 34 H ILE 34 9.527 1.139 4.552 238 HA ILE 34 HA ILE 34 7.888 -1.042 3.581 239 HB ILE 34 HB ILE 34 9.586 -0.857 2.095 240 1HG1 ILE 34 2HG1 ILE 34 11.063 -2.803 2.518 241 2HG1 ILE 34 1HG1 ILE 34 10.582 -2.795 4.238 242 1HG2 ILE 34 1HG2 ILE 34 12.025 -0.631 2.743 243 2HG2 ILE 34 2HG2 ILE 34 11.540 -0.343 4.443 244 3HG2 ILE 34 3HG2 ILE 34 11.060 0.821 3.144 245 1HD1 ILE 34 1HD1 ILE 34 8.230 -3.410 3.602 246 2HD1 ILE 34 2HD1 ILE 34 9.371 -4.545 2.807 247 3HD1 ILE 34 3HD1 ILE 34 8.625 -3.205 1.858 248 H ASN 35 H ASN 35 7.024 -1.815 5.195 249 HA ASN 35 HA ASN 35 8.557 -2.294 7.680 250 1HB ASN 35 2HB ASN 35 7.146 -0.191 7.818 251 2HB ASN 35 1HB ASN 35 5.686 -1.205 7.537 252 1HD2 ASN 35 1HD2 ASN 35 5.007 -0.306 9.641 253 2HD2 ASN 35 2HD2 ASN 35 5.534 -1.112 11.098 254 H GLY 36 H GLY 36 8.741 -4.469 7.784 255 1HA GLY 36 2HA GLY 36 8.140 -6.551 8.096 256 2HA GLY 36 1HA GLY 36 6.478 -5.949 8.405 257 H GLY 37 H GLY 37 8.254 -5.671 5.364 258 1HA GLY 37 2HA GLY 37 7.862 -6.596 3.366 259 2HA GLY 37 1HA GLY 37 6.758 -7.788 4.123 260 H VAL 38 H VAL 38 5.755 -4.698 5.012 261 HA VAL 38 HA VAL 38 3.845 -4.567 2.803 262 HB VAL 38 HB VAL 38 3.867 -3.115 5.469 263 1HG1 VAL 38 1HG1 VAL 38 1.432 -2.799 4.933 264 2HG1 VAL 38 2HG1 VAL 38 1.681 -3.568 3.327 265 3HG1 VAL 38 3HG1 VAL 38 2.477 -1.990 3.713 266 1HG2 VAL 38 1HG2 VAL 38 3.717 -5.547 5.928 267 2HG2 VAL 38 2HG2 VAL 38 2.448 -5.730 4.656 268 3HG2 VAL 38 3HG2 VAL 38 2.115 -4.776 6.146 269 H LEU 39 H LEU 39 4.117 -2.915 1.256 270 HA LEU 39 HA LEU 39 5.777 -0.655 2.041 271 1HB LEU 39 2HB LEU 39 4.757 -1.635 -0.602 272 2HB LEU 39 1HB LEU 39 5.004 0.119 -0.398 273 HG LEU 39 HG LEU 39 7.224 -1.882 0.188 274 1HD1 LEU 39 1HD1 LEU 39 6.502 -1.977 -2.238 275 2HD1 LEU 39 2HD1 LEU 39 8.138 -1.218 -2.077 276 3HD1 LEU 39 3HD1 LEU 39 6.686 -0.192 -2.358 277 1HD2 LEU 39 1HD2 LEU 39 7.158 1.183 -0.220 278 2HD2 LEU 39 2HD2 LEU 39 8.666 0.212 -0.113 279 3HD2 LEU 39 3HD2 LEU 39 7.562 0.311 1.306 280 H THR 40 H THR 40 4.905 1.069 2.675 281 HA THR 40 HA THR 40 1.963 1.341 2.620 282 HB THR 40 HB THR 40 3.054 2.414 5.111 283 HG1 THR 40 1HG THR 40 4.364 0.397 4.569 284 1HG2 THR 40 1HG2 THR 40 0.628 1.876 4.528 285 2HG2 THR 40 2HG2 THR 40 1.184 1.039 6.025 286 3HG2 THR 40 3HG2 THR 40 1.061 0.126 4.478 287 H ILE 41 H ILE 41 1.404 3.106 1.685 288 HA ILE 41 HA ILE 41 3.533 5.020 1.152 289 HB ILE 41 HB ILE 41 0.774 4.580 0.008 290 1HG1 ILE 41 2HG1 ILE 41 3.527 4.029 -1.214 291 2HG1 ILE 41 1HG1 ILE 41 2.561 2.783 -0.404 292 1HG2 ILE 41 1HG2 ILE 41 1.465 6.206 -1.769 293 2HG2 ILE 41 2HG2 ILE 41 3.000 6.533 -0.882 294 3HG2 ILE 41 3HG2 ILE 41 1.405 6.999 -0.171 295 1HD1 ILE 41 1HD1 ILE 41 1.563 4.345 -2.866 296 2HD1 ILE 41 2HD1 ILE 41 0.710 3.007 -2.020 297 3HD1 ILE 41 3HD1 ILE 41 2.264 2.693 -2.874 298 H THR 42 H THR 42 3.731 6.713 2.531 299 HA THR 42 HA THR 42 1.280 7.518 3.930 300 HB THR 42 HB THR 42 2.351 8.036 5.845 301 HG1 THR 42 1HG THR 42 4.753 7.750 4.404 302 1HG2 THR 42 1HG2 THR 42 3.422 5.916 6.512 303 2HG2 THR 42 2HG2 THR 42 3.722 5.461 4.804 304 3HG2 THR 42 3HG2 THR 42 2.030 5.550 5.426 305 H PHE 43 H PHE 43 0.480 9.483 3.693 306 HA PHE 43 HA PHE 43 2.339 11.611 2.931 307 1HB PHE 43 2HB PHE 43 0.159 12.701 1.885 308 2HB PHE 43 1HB PHE 43 1.164 11.540 0.980 309 HD1 PHE 43 1HD PHE 43 -1.880 11.726 3.119 310 HD2 PHE 43 2HD PHE 43 0.337 9.539 0.230 311 HE1 PHE 43 1HE PHE 43 -3.731 10.151 2.898 312 HE2 PHE 43 2HE PHE 43 -1.509 7.947 0.008 313 HZ PHE 43 HZ PHE 43 -3.534 8.225 1.355 314 H GLU 44 H GLU 44 1.701 13.799 3.642 315 HA GLU 44 HA GLU 44 1.859 13.689 6.292 316 1HB GLU 44 2HB GLU 44 2.497 15.898 5.922 317 2HB GLU 44 1HB GLU 44 2.622 15.161 4.314 318 1HG GLU 44 2HG GLU 44 1.587 17.020 3.633 319 2HG GLU 44 1HG GLU 44 0.100 16.084 3.958 320 H ASN 45 H ASN 45 -0.966 13.901 4.539 321 HA ASN 45 HA ASN 45 -2.649 15.120 6.504 322 1HB ASN 45 2HB ASN 45 -3.262 13.412 4.019 323 2HB ASN 45 1HB ASN 45 -4.548 14.048 5.102 324 1HD2 ASN 45 1HD2 ASN 45 -2.138 15.021 2.635 325 2HD2 ASN 45 2HD2 ASN 45 -2.663 16.682 2.614 326 H GLY 46 H GLY 46 -1.151 12.121 6.570 327 1HA GLY 46 2HA GLY 46 -1.080 10.857 8.390 328 2HA GLY 46 1HA GLY 46 -2.535 11.671 9.026 329 H SER 47 H SER 47 -2.049 9.746 6.026 330 HA SER 47 HA SER 47 -3.544 7.555 7.082 331 1HB SER 47 2HB SER 47 -4.733 9.354 4.889 332 2HB SER 47 1HB SER 47 -5.180 7.621 5.077 333 HG SER 47 HG SER 47 -5.558 9.700 6.962 334 H LYS 48 H LYS 48 -3.689 5.832 5.116 335 HA LYS 48 HA LYS 48 -1.434 6.203 3.406 336 1HB LYS 48 2HB LYS 48 -0.049 4.428 4.357 337 2HB LYS 48 1HB LYS 48 -0.184 5.824 5.423 338 1HG LYS 48 2HG LYS 48 -1.929 3.306 5.775 339 2HG LYS 48 1HG LYS 48 -0.258 3.398 6.379 340 1HD LYS 48 2HD LYS 48 -2.594 5.152 7.309 341 2HD LYS 48 1HD LYS 48 -1.808 3.803 8.172 342 1HE LYS 48 2HE LYS 48 0.387 5.132 8.134 343 2HE LYS 48 1HE LYS 48 -0.545 6.529 7.470 344 1HZ LYS 48 1HZ LYS 48 -0.515 6.883 9.708 345 2HZ LYS 48 2HZ LYS 48 -0.727 5.263 10.137 346 3HZ LYS 48 3HZ LYS 48 -2.028 6.137 9.549 347 H ILE 49 H ILE 49 -0.930 4.547 2.007 348 HA ILE 49 HA ILE 49 -3.187 2.782 1.392 349 HB ILE 49 HB ILE 49 -0.685 3.103 -0.260 350 1HG1 ILE 49 2HG1 ILE 49 -1.230 5.370 0.151 351 2HG1 ILE 49 1HG1 ILE 49 -1.559 4.912 -1.536 352 1HG2 ILE 49 1HG2 ILE 49 -2.296 1.311 -0.883 353 2HG2 ILE 49 2HG2 ILE 49 -2.223 2.607 -2.125 354 3HG2 ILE 49 3HG2 ILE 49 -3.616 2.538 -0.992 355 1HD1 ILE 49 1HD1 ILE 49 -4.033 4.794 -1.075 356 2HD1 ILE 49 2HD1 ILE 49 -3.352 6.417 -0.734 357 3HD1 ILE 49 3HD1 ILE 49 -3.735 5.307 0.626 358 H ILE 50 H ILE 50 -2.870 0.505 1.337 359 HA ILE 50 HA ILE 50 -0.427 -0.374 2.696 360 HB ILE 50 HB ILE 50 -3.007 -1.870 2.625 361 1HG1 ILE 50 2HG1 ILE 50 -3.714 0.336 3.449 362 2HG1 ILE 50 1HG1 ILE 50 -3.776 -0.958 4.656 363 1HG2 ILE 50 1HG2 ILE 50 -1.007 -3.079 3.410 364 2HG2 ILE 50 2HG2 ILE 50 -2.132 -2.757 4.781 365 3HG2 ILE 50 3HG2 ILE 50 -0.643 -1.764 4.596 366 1HD1 ILE 50 1HD1 ILE 50 -2.929 1.189 5.641 367 2HD1 ILE 50 2HD1 ILE 50 -1.562 1.208 4.477 368 3HD1 ILE 50 3HD1 ILE 50 -1.658 -0.081 5.734 369 H ILE 51 H ILE 51 0.883 -1.479 1.354 370 HA ILE 51 HA ILE 51 -0.325 -3.255 -0.644 371 HB ILE 51 HB ILE 51 2.258 -1.723 -0.951 372 1HG1 ILE 51 2HG1 ILE 51 -0.658 -1.167 -1.608 373 2HG1 ILE 51 1HG1 ILE 51 0.529 -0.106 -0.868 374 1HG2 ILE 51 1HG2 ILE 51 0.509 -3.449 -2.842 375 2HG2 ILE 51 2HG2 ILE 51 2.125 -3.925 -2.189 376 3HG2 ILE 51 3HG2 ILE 51 2.000 -2.548 -3.306 377 1HD1 ILE 51 1HD1 ILE 51 1.772 -0.049 -3.176 378 2HD1 ILE 51 2HD1 ILE 51 0.099 0.647 -3.211 379 3HD1 ILE 51 3HD1 ILE 51 0.410 -1.017 -3.831 380 H ASN 52 H ASN 52 0.079 -5.271 -0.464 381 HA ASN 52 HA ASN 52 2.624 -6.300 0.248 382 1HB ASN 52 2HB ASN 52 1.777 -5.784 2.465 383 2HB ASN 52 1HB ASN 52 0.242 -6.654 2.176 384 1HD2 ASN 52 1HD2 ASN 52 0.968 -7.708 4.250 385 2HD2 ASN 52 2HD2 ASN 52 1.999 -9.121 4.109 386 H ARG 53 H ARG 53 2.370 -8.781 0.216 387 HA ARG 53 HA ARG 53 0.763 -9.428 -2.144 388 1HB ARG 53 2HB ARG 53 3.030 -10.189 -3.042 389 2HB ARG 53 1HB ARG 53 2.716 -8.407 -2.942 390 1HG ARG 53 2HG ARG 53 4.189 -8.250 -0.955 391 2HG ARG 53 1HG ARG 53 4.403 -10.033 -0.946 392 1HD ARG 53 2HD ARG 53 5.527 -9.936 -3.164 393 2HD ARG 53 1HD ARG 53 5.267 -8.138 -3.224 394 HE ARG 53 HE ARG 53 6.604 -8.672 -0.770 395 1HH1 ARG 53 1HH1 ARG 53 7.397 -9.346 -4.175 396 2HH1 ARG 53 2HH1 ARG 53 9.094 -9.212 -3.841 397 1HH2 ARG 53 1HH2 ARG 53 8.865 -8.166 -0.569 398 2HH2 ARG 53 2HH2 ARG 53 9.850 -8.224 -2.004 399 H GLN 54 H GLN 54 -0.099 -11.343 -2.208 400 HA GLN 54 HA GLN 54 0.790 -13.316 -0.257 401 1HB GLN 54 2HB GLN 54 -1.582 -14.211 -0.711 402 2HB GLN 54 1HB GLN 54 -1.341 -12.836 0.383 403 1HG GLN 54 2HG GLN 54 -2.029 -12.373 -2.577 404 2HG GLN 54 1HG GLN 54 -3.288 -12.774 -1.371 405 1HE2 GLN 54 1HE2 GLN 54 -3.444 -11.382 0.593 406 2HE2 GLN 54 2HE2 GLN 54 -3.076 -9.672 0.409 407 H GLU 55 H GLU 55 2.058 -14.757 -1.037 408 HA GLU 55 HA GLU 55 2.422 -15.092 -3.730 409 1HB GLU 55 2HB GLU 55 3.463 -16.883 -1.511 410 2HB GLU 55 1HB GLU 55 4.014 -16.849 -3.212 411 1HG GLU 55 2HG GLU 55 4.730 -14.449 -2.933 412 2HG GLU 55 1HG GLU 55 4.267 -14.527 -1.189 413 HA PRO 56 HA PRO 56 1.003 -19.356 -4.029 414 1HB PRO 56 2HB PRO 56 -1.182 -19.802 -1.953 415 2HB PRO 56 1HB PRO 56 0.110 -20.941 -2.491 416 1HG PRO 56 2HG PRO 56 0.307 -19.665 -0.068 417 2HG PRO 56 1HG PRO 56 1.769 -19.780 -1.144 418 1HD PRO 56 2HD PRO 56 -0.213 -17.421 -0.940 419 2HD PRO 56 1HD PRO 56 1.596 -17.389 -0.786 420 H LEU 57 H LEU 57 -1.135 -16.842 -3.413 421 HA LEU 57 HA LEU 57 -3.265 -17.807 -5.127 422 1HB LEU 57 2HB LEU 57 -2.922 -15.117 -3.713 423 2HB LEU 57 1HB LEU 57 -4.436 -15.760 -4.450 424 HG LEU 57 HG LEU 57 -2.845 -17.002 -2.170 425 1HD1 LEU 57 1HD1 LEU 57 -5.466 -15.359 -2.029 426 2HD1 LEU 57 2HD1 LEU 57 -3.842 -14.828 -1.449 427 3HD1 LEU 57 3HD1 LEU 57 -4.686 -16.192 -0.632 428 1HD2 LEU 57 1HD2 LEU 57 -4.932 -18.387 -1.729 429 2HD2 LEU 57 2HD2 LEU 57 -4.207 -18.739 -3.334 430 3HD2 LEU 57 3HD2 LEU 57 -5.675 -17.694 -3.219 431 H HIS 58 H HIS 58 -0.447 -15.969 -5.082 432 HA HIS 58 HA HIS 58 0.827 -14.906 -6.659 433 1HB HIS 58 2HB HIS 58 -1.003 -16.149 -8.708 434 2HB HIS 58 1HB HIS 58 0.659 -15.523 -8.941 435 HD1 HIS 58 1HD HIS 58 -1.110 -18.644 -8.227 436 HD2 HIS 58 2HD HIS 58 2.608 -17.019 -7.123 437 HE1 HIS 58 1HE HIS 58 0.304 -20.530 -7.447 438 H GLN 59 H GLN 59 -0.871 -13.209 -5.337 439 HA GLN 59 HA GLN 59 -1.466 -11.282 -7.389 440 1HB GLN 59 2HB GLN 59 -3.653 -10.670 -6.422 441 2HB GLN 59 1HB GLN 59 -3.614 -12.249 -7.206 442 1HG GLN 59 2HG GLN 59 -3.320 -13.314 -4.855 443 2HG GLN 59 1HG GLN 59 -3.562 -11.671 -4.158 444 1HE2 GLN 59 1HE2 GLN 59 -5.615 -12.044 -3.115 445 2HE2 GLN 59 2HE2 GLN 59 -7.030 -12.381 -4.037 446 H VAL 60 H VAL 60 -1.407 -9.223 -6.718 447 HA VAL 60 HA VAL 60 -0.353 -8.743 -4.007 448 HB VAL 60 HB VAL 60 -0.486 -6.732 -6.258 449 1HG1 VAL 60 1HG1 VAL 60 -0.042 -5.795 -3.967 450 2HG1 VAL 60 2HG1 VAL 60 1.436 -5.731 -4.976 451 3HG1 VAL 60 3HG1 VAL 60 1.265 -7.011 -3.716 452 1HG2 VAL 60 1HG2 VAL 60 0.829 -8.613 -7.175 453 2HG2 VAL 60 2HG2 VAL 60 1.765 -8.742 -5.629 454 3HG2 VAL 60 3HG2 VAL 60 1.932 -7.289 -6.678 455 H TRP 61 H TRP 61 -1.432 -7.120 -2.621 456 HA TRP 61 HA TRP 61 -4.127 -6.518 -3.520 457 1HB TRP 61 2HB TRP 61 -4.876 -6.442 -1.415 458 2HB TRP 61 1HB TRP 61 -3.782 -7.862 -1.428 459 HD1 TRP 61 HD TRP 61 -1.423 -5.204 -0.849 460 HE1 TRP 61 1HE TRP 61 -1.534 -4.154 1.501 461 HE3 TRP 61 3HE TRP 61 -5.567 -7.531 0.871 462 HZ2 TRP 61 2HZ TRP 61 -2.825 -4.796 3.969 463 HZ3 TRP 61 3HZ TRP 61 -6.180 -7.300 3.228 464 HH2 TRP 61 HH TRP 61 -4.845 -5.946 4.748 465 H LEU 62 H LEU 62 -5.125 -4.419 -3.210 466 HA LEU 62 HA LEU 62 -3.251 -2.289 -2.503 467 1HB LEU 62 2HB LEU 62 -5.472 -2.357 -4.631 468 2HB LEU 62 1HB LEU 62 -4.960 -0.827 -3.856 469 HG LEU 62 HG LEU 62 -3.204 -2.576 -5.624 470 1HD1 LEU 62 1HD1 LEU 62 -4.495 0.209 -6.030 471 2HD1 LEU 62 2HD1 LEU 62 -5.011 -1.317 -6.832 472 3HD1 LEU 62 3HD1 LEU 62 -3.389 -0.615 -7.185 473 1HD2 LEU 62 1HD2 LEU 62 -1.816 -1.439 -3.880 474 2HD2 LEU 62 2HD2 LEU 62 -2.669 0.120 -4.190 475 3HD2 LEU 62 3HD2 LEU 62 -1.605 -0.589 -5.459 476 H ALA 63 H ALA 63 -3.966 -2.388 -0.259 477 HA ALA 63 HA ALA 63 -6.809 -1.876 0.087 478 1HB ALA 63 1HB ALA 63 -6.017 -3.744 1.422 479 2HB ALA 63 2HB ALA 63 -6.346 -2.347 2.506 480 3HB ALA 63 3HB ALA 63 -4.649 -2.780 2.049 481 H THR 64 H THR 64 -7.510 -0.104 1.180 482 HA THR 64 HA THR 64 -5.782 2.088 1.633 483 HB THR 64 HB THR 64 -5.599 2.176 -0.710 484 HG1 THR 64 1HG THR 64 -6.087 4.158 0.510 485 1HG2 THR 64 1HG2 THR 64 -8.682 2.120 -0.859 486 2HG2 THR 64 2HG2 THR 64 -7.538 0.845 -1.419 487 3HG2 THR 64 3HG2 THR 64 -7.552 2.446 -2.217 488 H LYS 65 H LYS 65 -8.414 3.613 0.646 489 HA LYS 65 HA LYS 65 -9.456 3.858 3.240 490 1HB LYS 65 2HB LYS 65 -9.342 5.481 1.135 491 2HB LYS 65 1HB LYS 65 -11.028 4.965 0.924 492 1HG LYS 65 2HG LYS 65 -9.766 6.035 3.525 493 2HG LYS 65 1HG LYS 65 -10.588 7.069 2.319 494 1HD LYS 65 2HD LYS 65 -12.758 5.978 2.754 495 2HD LYS 65 1HD LYS 65 -11.976 4.733 3.764 496 1HE LYS 65 2HE LYS 65 -13.039 6.281 5.273 497 2HE LYS 65 1HE LYS 65 -11.254 6.485 5.421 498 1HZ LYS 65 1HZ LYS 65 -12.310 8.564 5.379 499 2HZ LYS 65 2HZ LYS 65 -13.159 8.248 3.952 500 3HZ LYS 65 3HZ LYS 65 -11.487 8.447 3.907 501 H GLN 66 H GLN 66 -11.144 2.730 0.239 502 HA GLN 66 HA GLN 66 -12.651 0.881 1.980 503 1HB GLN 66 2HB GLN 66 -13.652 3.184 0.533 504 2HB GLN 66 1HB GLN 66 -14.232 1.750 -0.323 505 1HG GLN 66 2HG GLN 66 -15.924 2.258 1.253 506 2HG GLN 66 1HG GLN 66 -15.086 0.824 1.939 507 1HE2 GLN 66 1HE2 GLN 66 -14.199 1.065 4.040 508 2HE2 GLN 66 2HE2 GLN 66 -14.097 2.580 4.880 509 H GLY 67 H GLY 67 -11.073 1.536 -1.100 510 1HA GLY 67 2HA GLY 67 -12.218 -0.835 -2.272 511 2HA GLY 67 1HA GLY 67 -11.151 0.403 -3.002 512 H GLY 68 H GLY 68 -10.856 -1.938 -0.354 513 1HA GLY 68 2HA GLY 68 -8.213 -2.578 -1.159 514 2HA GLY 68 1HA GLY 68 -9.083 -3.495 0.053 515 H TYR 69 H TYR 69 -8.239 -3.174 -3.258 516 HA TYR 69 HA TYR 69 -9.608 -5.703 -4.007 517 1HB TYR 69 2HB TYR 69 -8.768 -3.259 -5.642 518 2HB TYR 69 1HB TYR 69 -9.538 -4.745 -6.307 519 HD1 TYR 69 1HD TYR 69 -10.503 -2.295 -7.008 520 HD2 TYR 69 2HD TYR 69 -11.508 -4.496 -3.504 521 HE1 TYR 69 1HE TYR 69 -12.704 -1.263 -6.988 522 HE2 TYR 69 2HE TYR 69 -13.684 -3.446 -3.470 523 HH TYR 69 HH TYR 69 -14.756 -1.363 -6.131 524 H HIS 70 H HIS 70 -8.413 -7.264 -5.190 525 HA HIS 70 HA HIS 70 -5.545 -6.892 -4.936 526 1HB HIS 70 2HB HIS 70 -5.388 -9.247 -5.766 527 2HB HIS 70 1HB HIS 70 -6.097 -8.980 -4.152 528 HD1 HIS 70 1HD HIS 70 -8.776 -9.182 -3.971 529 HD2 HIS 70 2HD HIS 70 -7.038 -10.735 -7.476 530 HE1 HIS 70 1HE HIS 70 -10.406 -10.827 -4.948 531 H PHE 71 H PHE 71 -4.118 -7.460 -6.657 532 HA PHE 71 HA PHE 71 -4.873 -5.721 -8.893 533 1HB PHE 71 2HB PHE 71 -3.589 -4.895 -6.870 534 2HB PHE 71 1HB PHE 71 -2.426 -6.226 -7.057 535 HD1 PHE 71 1HD PHE 71 -0.517 -5.922 -8.398 536 HD2 PHE 71 2HD PHE 71 -3.684 -3.104 -8.516 537 HE1 PHE 71 1HE PHE 71 0.894 -4.405 -9.703 538 HE2 PHE 71 2HE PHE 71 -2.319 -1.608 -9.870 539 HZ PHE 71 HZ PHE 71 -0.006 -2.265 -10.493 540 H ASP 72 H ASP 72 -4.870 -6.910 -10.844 541 HA ASP 72 HA ASP 72 -2.657 -8.729 -11.276 542 1HB ASP 72 2HB ASP 72 -5.601 -9.583 -11.468 543 2HB ASP 72 1HB ASP 72 -4.223 -10.521 -12.140 544 H LEU 73 H LEU 73 -2.509 -9.458 -13.510 545 HA LEU 73 HA LEU 73 -2.888 -7.133 -15.188 546 1HB LEU 73 2HB LEU 73 -0.715 -8.361 -14.931 547 2HB LEU 73 1HB LEU 73 -1.476 -9.778 -15.693 548 HG LEU 73 HG LEU 73 -1.905 -8.306 -17.764 549 1HD1 LEU 73 1HD1 LEU 73 -0.523 -6.274 -18.044 550 2HD1 LEU 73 2HD1 LEU 73 0.116 -6.443 -16.364 551 3HD1 LEU 73 3HD1 LEU 73 -1.621 -6.040 -16.631 552 1HD2 LEU 73 1HD2 LEU 73 0.417 -8.535 -18.589 553 2HD2 LEU 73 2HD2 LEU 73 -0.066 -9.986 -17.629 554 3HD2 LEU 73 3HD2 LEU 73 1.010 -8.734 -16.897 555 H LYS 74 H LYS 74 -4.150 -6.854 -16.845 556 HA LYS 74 HA LYS 74 -5.550 -9.163 -18.002 557 1HB LYS 74 2HB LYS 74 -6.161 -6.187 -17.809 558 2HB LYS 74 1HB LYS 74 -6.965 -7.205 -19.055 559 1HG LYS 74 2HG LYS 74 -7.081 -7.798 -16.049 560 2HG LYS 74 1HG LYS 74 -8.288 -6.831 -16.955 561 1HD LYS 74 2HD LYS 74 -8.733 -8.740 -18.474 562 2HD LYS 74 1HD LYS 74 -7.620 -9.782 -17.551 563 1HE LYS 74 2HE LYS 74 -10.122 -8.418 -16.349 564 2HE LYS 74 1HE LYS 74 -10.095 -10.093 -17.027 565 1HZ LYS 74 1HZ LYS 74 -8.478 -10.725 -15.392 566 2HZ LYS 74 2HZ LYS 74 -9.788 -10.011 -14.599 567 3HZ LYS 74 3HZ LYS 74 -8.345 -9.188 -14.771 568 H GLY 75 H GLY 75 -5.131 -6.145 -19.729 569 1HA GLY 75 2HA GLY 75 -3.389 -7.568 -21.600 570 2HA GLY 75 1HA GLY 75 -4.372 -6.099 -21.877 571 H ASP 76 H ASP 76 -3.479 -4.104 -21.574 572 HA ASP 76 HA ASP 76 -0.665 -3.960 -20.807 573 1HB ASP 76 2HB ASP 76 -1.546 -3.055 -23.029 574 2HB ASP 76 1HB ASP 76 -2.590 -1.928 -22.102 575 H GLU 77 H GLU 77 -3.124 -4.419 -19.006 576 HA GLU 77 HA GLU 77 -2.961 -2.014 -17.340 577 1HB GLU 77 2HB GLU 77 -5.467 -3.333 -18.454 578 2HB GLU 77 1HB GLU 77 -5.492 -2.288 -17.004 579 1HG GLU 77 2HG GLU 77 -4.348 -1.249 -19.666 580 2HG GLU 77 1HG GLU 77 -6.107 -1.259 -19.327 581 H TRP 78 H TRP 78 -2.456 -2.595 -15.431 582 HA TRP 78 HA TRP 78 -3.137 -5.241 -14.367 583 1HB TRP 78 2HB TRP 78 -1.667 -2.782 -13.242 584 2HB TRP 78 1HB TRP 78 -2.252 -4.111 -12.204 585 HD1 TRP 78 HD TRP 78 0.348 -3.665 -15.145 586 HE1 TRP 78 1HE TRP 78 2.154 -5.494 -14.744 587 HE3 TRP 78 3HE TRP 78 -1.785 -6.073 -11.234 588 HZ2 TRP 78 2HZ TRP 78 2.702 -7.456 -12.836 589 HZ3 TRP 78 3HZ TRP 78 -0.511 -7.816 -10.080 590 HH2 TRP 78 HH TRP 78 1.637 -8.524 -10.842 591 H ILE 79 H ILE 79 -5.435 -5.394 -14.194 592 HA ILE 79 HA ILE 79 -6.761 -2.950 -13.369 593 HB ILE 79 HB ILE 79 -8.723 -3.695 -13.933 594 1HG1 ILE 79 2HG1 ILE 79 -7.875 -6.596 -14.170 595 2HG1 ILE 79 1HG1 ILE 79 -8.754 -5.900 -12.783 596 1HG2 ILE 79 1HG2 ILE 79 -7.199 -3.187 -15.833 597 2HG2 ILE 79 2HG2 ILE 79 -8.496 -4.332 -16.297 598 3HG2 ILE 79 3HG2 ILE 79 -6.825 -4.943 -16.016 599 1HD1 ILE 79 1HD1 ILE 79 -10.388 -6.940 -14.249 600 2HD1 ILE 79 2HD1 ILE 79 -9.834 -5.968 -15.665 601 3HD1 ILE 79 3HD1 ILE 79 -10.623 -5.155 -14.269 602 H CYS 80 H CYS 80 -8.240 -2.974 -11.549 603 HA CYS 80 HA CYS 80 -7.186 -4.593 -9.421 604 1HB CYS 80 2HB CYS 80 -9.523 -2.629 -9.515 605 2HB CYS 80 1HB CYS 80 -9.011 -3.515 -8.051 606 HG CYS 80 HG CYS 80 -6.627 -2.014 -9.713 607 H ASP 81 H ASP 81 -7.942 -6.650 -9.120 608 HA ASP 81 HA ASP 81 -9.520 -7.729 -11.114 609 1HB ASP 81 2HB ASP 81 -7.470 -8.667 -9.740 610 2HB ASP 81 1HB ASP 81 -8.677 -9.080 -8.475 611 H ARG 82 H ARG 82 -10.078 -7.151 -7.728 612 HA ARG 82 HA ARG 82 -12.736 -8.235 -7.645 613 1HB ARG 82 2HB ARG 82 -11.437 -8.354 -5.655 614 2HB ARG 82 1HB ARG 82 -11.001 -6.616 -5.736 615 1HG ARG 82 2HG ARG 82 -13.114 -5.889 -5.020 616 2HG ARG 82 1HG ARG 82 -13.928 -7.442 -5.442 617 1HD ARG 82 2HD ARG 82 -12.814 -8.565 -3.506 618 2HD ARG 82 1HD ARG 82 -11.943 -7.014 -3.120 619 HE ARG 82 HE ARG 82 -14.855 -6.665 -3.445 620 1HH1 ARG 82 1HH1 ARG 82 -12.446 -7.593 -0.915 621 2HH1 ARG 82 2HH1 ARG 82 -13.203 -6.501 0.223 622 1HH2 ARG 82 1HH2 ARG 82 -15.883 -5.518 -1.720 623 2HH2 ARG 82 2HH2 ARG 82 -15.064 -5.498 -0.167 624 H SER 83 H SER 83 -14.529 -7.270 -8.214 625 HA SER 83 HA SER 83 -15.943 -5.901 -8.980 626 1HB SER 83 2HB SER 83 -14.419 -3.623 -7.717 627 2HB SER 83 1HB SER 83 -16.022 -3.479 -8.519 628 HG SER 83 HG SER 83 -16.482 -3.864 -6.452 629 H GLY 84 H GLY 84 -12.710 -4.816 -9.947 630 1HA GLY 84 2HA GLY 84 -12.099 -5.277 -12.114 631 2HA GLY 84 1HA GLY 84 -13.766 -4.981 -12.675 632 H GLU 85 H GLU 85 -10.873 -3.355 -11.426 633 HA GLU 85 HA GLU 85 -11.862 -0.891 -12.717 634 1HB GLU 85 2HB GLU 85 -10.497 -0.963 -10.013 635 2HB GLU 85 1HB GLU 85 -10.962 0.504 -10.925 636 1HG GLU 85 2HG GLU 85 -12.968 -1.598 -9.929 637 2HG GLU 85 1HG GLU 85 -12.507 -0.100 -9.052 638 H THR 86 H THR 86 -9.003 -0.008 -11.287 639 HA THR 86 HA THR 86 -7.362 -0.786 -13.532 640 HB THR 86 HB THR 86 -8.234 2.093 -12.931 641 HG1 THR 86 1HG THR 86 -9.803 1.376 -14.127 642 1HG2 THR 86 1HG2 THR 86 -6.430 0.939 -15.196 643 2HG2 THR 86 2HG2 THR 86 -5.843 1.984 -13.845 644 3HG2 THR 86 3HG2 THR 86 -6.964 2.648 -15.063 645 H PHE 87 H PHE 87 -5.176 -0.598 -12.930 646 HA PHE 87 HA PHE 87 -4.225 -0.194 -10.518 647 1HB PHE 87 2HB PHE 87 -3.007 -1.077 -12.431 648 2HB PHE 87 1HB PHE 87 -3.026 0.512 -13.243 649 HD1 PHE 87 1HD PHE 87 -0.810 -0.578 -13.544 650 HD2 PHE 87 2HD PHE 87 -2.001 1.035 -9.780 651 HE1 PHE 87 1HE PHE 87 1.525 -0.368 -12.887 652 HE2 PHE 87 2HE PHE 87 0.311 1.313 -9.169 653 HZ PHE 87 HZ PHE 87 2.104 0.521 -10.690 654 H TRP 88 H TRP 88 -3.195 2.435 -12.685 655 HA TRP 88 HA TRP 88 -2.825 3.814 -10.261 656 1HB TRP 88 2HB TRP 88 -1.363 3.844 -12.421 657 2HB TRP 88 1HB TRP 88 -2.327 5.297 -12.823 658 HD1 TRP 88 HD TRP 88 -2.464 7.143 -10.489 659 HE1 TRP 88 1HE TRP 88 -0.823 7.369 -8.558 660 HE3 TRP 88 3HE TRP 88 0.824 3.518 -11.726 661 HZ2 TRP 88 2HZ TRP 88 1.847 6.610 -7.989 662 HZ3 TRP 88 3HZ TRP 88 2.913 3.279 -10.401 663 HH2 TRP 88 HH TRP 88 3.400 4.810 -8.587 664 H ASP 89 H ASP 89 -5.328 3.972 -12.685 665 HA ASP 89 HA ASP 89 -6.395 6.438 -11.828 666 1HB ASP 89 2HB ASP 89 -7.649 3.984 -13.170 667 2HB ASP 89 1HB ASP 89 -8.596 5.455 -12.748 668 H LEU 90 H LEU 90 -7.029 3.095 -10.496 669 HA LEU 90 HA LEU 90 -9.003 4.219 -8.830 670 1HB LEU 90 2HB LEU 90 -9.014 1.829 -9.517 671 2HB LEU 90 1HB LEU 90 -7.564 1.543 -8.518 672 HG LEU 90 HG LEU 90 -8.753 2.315 -6.511 673 1HD1 LEU 90 1HD1 LEU 90 -11.308 2.457 -6.515 674 2HD1 LEU 90 2HD1 LEU 90 -11.274 2.409 -8.313 675 3HD1 LEU 90 3HD1 LEU 90 -10.544 3.801 -7.427 676 1HD2 LEU 90 1HD2 LEU 90 -10.167 -0.006 -7.968 677 2HD2 LEU 90 2HD2 LEU 90 -10.262 0.330 -6.197 678 3HD2 LEU 90 3HD2 LEU 90 -8.679 -0.088 -6.931 679 H LEU 91 H LEU 91 -5.687 3.161 -8.460 680 HA LEU 91 HA LEU 91 -5.134 3.873 -5.865 681 1HB LEU 91 2HB LEU 91 -3.646 2.615 -7.453 682 2HB LEU 91 1HB LEU 91 -3.322 4.147 -8.309 683 HG LEU 91 HG LEU 91 -2.240 5.064 -6.239 684 1HD1 LEU 91 1HD1 LEU 91 -2.658 2.208 -5.134 685 2HD1 LEU 91 2HD1 LEU 91 -3.374 3.728 -4.467 686 3HD1 LEU 91 3HD1 LEU 91 -1.595 3.467 -4.403 687 1HD2 LEU 91 1HD2 LEU 91 -0.916 3.986 -8.049 688 2HD2 LEU 91 2HD2 LEU 91 -1.104 2.380 -7.244 689 3HD2 LEU 91 3HD2 LEU 91 -0.174 3.699 -6.434 690 H GLU 92 H GLU 92 -5.163 6.032 -8.715 691 HA GLU 92 HA GLU 92 -4.517 8.367 -7.370 692 1HB GLU 92 2HB GLU 92 -4.467 8.184 -9.769 693 2HB GLU 92 1HB GLU 92 -6.219 7.911 -9.868 694 1HG GLU 92 2HG GLU 92 -5.144 10.479 -8.557 695 2HG GLU 92 1HG GLU 92 -5.096 10.298 -10.351 696 H GLN 93 H GLN 93 -7.842 6.982 -7.985 697 HA GLN 93 HA GLN 93 -9.104 8.984 -6.584 698 1HB GLN 93 2HB GLN 93 -10.107 7.048 -8.002 699 2HB GLN 93 1HB GLN 93 -10.056 6.094 -6.504 700 1HG GLN 93 2HG GLN 93 -11.311 8.144 -5.393 701 2HG GLN 93 1HG GLN 93 -11.618 8.711 -7.065 702 1HE2 GLN 93 1HE2 GLN 93 -12.334 6.425 -8.464 703 2HE2 GLN 93 2HE2 GLN 93 -13.690 5.650 -7.695 704 H ALA 94 H ALA 94 -7.877 5.911 -5.322 705 HA ALA 94 HA ALA 94 -8.533 6.048 -2.670 706 1HB ALA 94 1HB ALA 94 -6.462 4.572 -2.469 707 2HB ALA 94 2HB ALA 94 -6.037 5.022 -4.155 708 3HB ALA 94 3HB ALA 94 -7.547 4.108 -3.833 709 H ALA 95 H ALA 95 -5.426 7.149 -4.123 710 HA ALA 95 HA ALA 95 -4.488 8.305 -1.761 711 1HB ALA 95 1HB ALA 95 -3.033 7.501 -3.619 712 2HB ALA 95 2HB ALA 95 -2.704 9.232 -3.243 713 3HB ALA 95 3HB ALA 95 -3.696 8.783 -4.688 714 H THR 96 H THR 96 -6.135 9.776 -4.585 715 HA THR 96 HA THR 96 -6.007 12.375 -3.765 716 HB THR 96 HB THR 96 -8.067 10.899 -5.426 717 HG1 THR 96 1HG THR 96 -6.868 11.516 -7.028 718 1HG2 THR 96 1HG2 THR 96 -7.702 13.945 -4.999 719 2HG2 THR 96 2HG2 THR 96 -9.184 12.983 -4.635 720 3HG2 THR 96 3HG2 THR 96 -8.649 13.203 -6.334 721 H GLN 97 H GLN 97 -8.569 9.965 -3.010 722 HA GLN 97 HA GLN 97 -10.024 11.893 -1.558 723 1HB GLN 97 2HB GLN 97 -11.528 10.265 -0.904 724 2HB GLN 97 1HB GLN 97 -11.038 9.916 -2.586 725 1HG GLN 97 2HG GLN 97 -9.501 8.100 -1.745 726 2HG GLN 97 1HG GLN 97 -10.081 8.354 -0.067 727 1HE2 GLN 97 1HE2 GLN 97 -12.904 8.930 -1.452 728 2HE2 GLN 97 2HE2 GLN 97 -13.493 7.293 -1.667 729 H GLN 98 H GLN 98 -7.413 9.743 -0.583 730 HA GLN 98 HA GLN 98 -7.859 10.319 2.204 731 1HB GLN 98 2HB GLN 98 -5.699 8.916 0.607 732 2HB GLN 98 1HB GLN 98 -5.575 9.113 2.383 733 1HG GLN 98 2HG GLN 98 -8.082 7.807 1.155 734 2HG GLN 98 1HG GLN 98 -6.555 6.894 1.330 735 1HE2 GLN 98 1HE2 GLN 98 -8.838 8.954 3.343 736 2HE2 GLN 98 2HE2 GLN 98 -8.406 8.179 4.833 737 H ALA 99 H ALA 99 -5.644 11.602 -0.303 738 HA ALA 99 HA ALA 99 -4.331 13.234 1.644 739 1HB ALA 99 1HB ALA 99 -3.126 12.184 -0.270 740 2HB ALA 99 2HB ALA 99 -2.980 13.977 -0.303 741 3HB ALA 99 3HB ALA 99 -4.126 13.139 -1.417 742 H GLY 100 H GLY 100 -6.880 13.762 -0.804 743 1HA GLY 100 2HA GLY 100 -8.390 15.407 -0.726 744 2HA GLY 100 1HA GLY 100 -7.356 16.355 0.395 745 H GLU 101 H GLU 101 -6.081 15.029 -2.577 746 HA GLU 101 HA GLU 101 -6.232 17.461 -4.065 747 1HB GLU 101 2HB GLU 101 -3.766 17.837 -4.099 748 2HB GLU 101 1HB GLU 101 -4.400 18.023 -2.441 749 1HG GLU 101 2HG GLU 101 -3.672 15.655 -1.906 750 2HG GLU 101 1HG GLU 101 -2.958 15.522 -3.550 751 H THR 102 H THR 102 -5.225 16.923 -6.323 752 HA THR 102 HA THR 102 -5.629 14.142 -6.770 753 HB THR 102 HB THR 102 -4.684 16.291 -8.636 754 HG1 THR 102 1HG THR 102 -6.953 14.741 -8.929 755 1HG2 THR 102 1HG2 THR 102 -5.172 14.548 -10.437 756 2HG2 THR 102 2HG2 THR 102 -5.300 13.285 -9.154 757 3HG2 THR 102 3HG2 THR 102 -3.742 14.132 -9.459 758 H VAL 103 H VAL 103 -4.292 12.631 -6.216 759 HA VAL 103 HA VAL 103 -1.396 13.087 -6.474 760 HB VAL 103 HB VAL 103 -2.903 10.918 -5.032 761 1HG1 VAL 103 1HG1 VAL 103 -0.594 10.208 -5.738 762 2HG1 VAL 103 2HG1 VAL 103 -0.613 10.513 -3.973 763 3HG1 VAL 103 3HG1 VAL 103 0.097 11.743 -5.079 764 1HG2 VAL 103 1HG2 VAL 103 -1.561 13.494 -3.962 765 2HG2 VAL 103 2HG2 VAL 103 -2.120 12.123 -2.932 766 3HG2 VAL 103 3HG2 VAL 103 -3.311 13.070 -3.877 767 H SER 104 H SER 104 -0.911 12.607 -8.487 768 HA SER 104 HA SER 104 -1.847 10.053 -9.623 769 1HB SER 104 2HB SER 104 -2.393 11.195 -11.773 770 2HB SER 104 1HB SER 104 -3.397 11.756 -10.406 771 HG SER 104 HG SER 104 -2.631 13.492 -11.625 772 H PHE 105 H PHE 105 -0.556 8.970 -11.024 773 HA PHE 105 HA PHE 105 1.708 10.447 -12.143 774 1HB PHE 105 2HB PHE 105 2.945 8.800 -11.504 775 2HB PHE 105 1HB PHE 105 1.569 7.848 -10.951 776 HD1 PHE 105 1HD PHE 105 0.199 6.766 -13.059 777 HD2 PHE 105 2HD PHE 105 4.336 7.662 -12.848 778 HE1 PHE 105 1HE PHE 105 0.655 5.006 -14.706 779 HE2 PHE 105 2HE PHE 105 4.807 5.909 -14.490 780 HZ PHE 105 HZ PHE 105 2.963 4.563 -15.407 781 H ARG 106 H ARG 106 -1.401 9.131 -12.857 782 HA ARG 106 HA ARG 106 -0.929 9.074 -15.693 783 1HB ARG 106 2HB ARG 106 -3.412 8.844 -13.913 784 2HB ARG 106 1HB ARG 106 -3.504 8.765 -15.686 785 1HG ARG 106 2HG ARG 106 -1.569 6.847 -14.431 786 2HG ARG 106 1HG ARG 106 -3.300 6.598 -14.036 787 1HD ARG 106 2HD ARG 106 -2.413 6.920 -16.965 788 2HD ARG 106 1HD ARG 106 -2.292 5.335 -16.089 789 HE ARG 106 HE ARG 106 -4.904 6.289 -15.550 790 1HH1 ARG 106 1HH1 ARG 106 -3.064 5.021 -18.350 791 2HH1 ARG 106 2HH1 ARG 106 -4.448 4.192 -18.975 792 1HH2 ARG 106 1HH2 ARG 106 -6.694 5.323 -16.491 793 2HH2 ARG 106 2HH2 ARG 106 -6.514 4.413 -17.961 Start of MODEL 19 1 HA MET 1 HA MET 1 7.028 -21.721 -11.325 2 1HB MET 1 2HB MET 1 6.273 -23.864 -12.379 3 2HB MET 1 1HB MET 1 4.686 -23.127 -12.732 4 1HG MET 1 2HG MET 1 5.759 -21.541 -14.299 5 2HG MET 1 1HG MET 1 7.384 -22.070 -13.774 6 1HE MET 1 1HE MET 1 4.352 -24.399 -16.419 7 2HE MET 1 2HE MET 1 4.187 -22.726 -15.790 8 3HE MET 1 3HE MET 1 4.035 -24.132 -14.673 9 H ASN 2 H ASN 2 6.387 -19.782 -10.154 10 HA ASN 2 HA ASN 2 4.839 -18.003 -11.615 11 1HB ASN 2 2HB ASN 2 2.925 -17.579 -10.146 12 2HB ASN 2 1HB ASN 2 2.852 -19.219 -10.836 13 1HD2 ASN 2 1HD2 ASN 2 3.888 -21.019 -9.276 14 2HD2 ASN 2 2HD2 ASN 2 3.478 -20.793 -7.594 15 H ASP 3 H ASP 3 6.228 -18.818 -8.442 16 HA ASP 3 HA ASP 3 6.125 -16.421 -7.270 17 1HB ASP 3 2HB ASP 3 8.290 -18.597 -7.056 18 2HB ASP 3 1HB ASP 3 8.017 -17.285 -5.852 19 H SER 4 H SER 4 8.881 -17.603 -9.259 20 HA SER 4 HA SER 4 10.562 -15.527 -8.901 21 1HB SER 4 2HB SER 4 10.119 -16.990 -11.557 22 2HB SER 4 1HB SER 4 11.593 -16.087 -11.071 23 HG SER 4 HG SER 4 12.196 -17.783 -10.023 24 H GLU 5 H GLU 5 8.116 -15.763 -11.502 25 HA GLU 5 HA GLU 5 8.585 -13.282 -12.640 26 1HB GLU 5 2HB GLU 5 6.029 -14.965 -12.525 27 2HB GLU 5 1HB GLU 5 6.271 -13.529 -13.572 28 1HG GLU 5 2HG GLU 5 8.185 -14.694 -14.730 29 2HG GLU 5 1HG GLU 5 7.864 -16.161 -13.741 30 H PHE 6 H PHE 6 5.857 -14.143 -10.328 31 HA PHE 6 HA PHE 6 5.083 -11.590 -10.087 32 1HB PHE 6 2HB PHE 6 4.116 -13.933 -9.249 33 2HB PHE 6 1HB PHE 6 4.989 -13.590 -7.734 34 HD1 PHE 6 1HD PHE 6 2.960 -11.614 -10.230 35 HD2 PHE 6 2HD PHE 6 3.515 -12.751 -6.170 36 HE1 PHE 6 1HE PHE 6 1.055 -10.248 -9.600 37 HE2 PHE 6 2HE PHE 6 1.625 -11.343 -5.520 38 HZ PHE 6 HZ PHE 6 0.425 -10.022 -7.237 39 H HIS 7 H HIS 7 7.690 -13.080 -8.195 40 HA HIS 7 HA HIS 7 7.845 -10.958 -6.341 41 1HB HIS 7 2HB HIS 7 9.966 -13.014 -7.151 42 2HB HIS 7 1HB HIS 7 10.078 -11.899 -5.736 43 HD1 HIS 7 1HD HIS 7 10.272 -14.435 -4.619 44 HD2 HIS 7 2HD HIS 7 6.469 -13.196 -5.900 45 HE1 HIS 7 1HE HIS 7 8.568 -15.896 -3.452 46 H ARG 8 H ARG 8 9.637 -11.554 -9.415 47 HA ARG 8 HA ARG 8 11.247 -9.244 -9.026 48 1HB ARG 8 2HB ARG 8 10.738 -11.206 -11.259 49 2HB ARG 8 1HB ARG 8 11.520 -9.660 -11.656 50 1HG ARG 8 2HG ARG 8 13.119 -11.432 -11.345 51 2HG ARG 8 1HG ARG 8 13.409 -10.062 -10.241 52 1HD ARG 8 2HD ARG 8 12.770 -11.323 -8.279 53 2HD ARG 8 1HD ARG 8 11.911 -12.553 -9.277 54 HE ARG 8 HE ARG 8 13.985 -13.468 -10.029 55 1HH1 ARG 8 1HH1 ARG 8 14.813 -10.656 -7.915 56 2HH1 ARG 8 2HH1 ARG 8 16.447 -11.192 -7.795 57 1HH2 ARG 8 1HH2 ARG 8 16.059 -14.193 -9.500 58 2HH2 ARG 8 2HH2 ARG 8 17.216 -12.955 -9.086 59 H LEU 9 H LEU 9 8.193 -9.828 -10.899 60 HA LEU 9 HA LEU 9 8.068 -7.242 -11.902 61 1HB LEU 9 2HB LEU 9 5.952 -9.341 -11.224 62 2HB LEU 9 1HB LEU 9 5.575 -7.817 -12.085 63 HG LEU 9 HG LEU 9 7.569 -9.911 -13.109 64 1HD1 LEU 9 1HD1 LEU 9 4.629 -9.428 -13.905 65 2HD1 LEU 9 2HD1 LEU 9 5.266 -10.848 -12.990 66 3HD1 LEU 9 3HD1 LEU 9 5.777 -10.571 -14.696 67 1HD2 LEU 9 1HD2 LEU 9 8.019 -7.644 -14.046 68 2HD2 LEU 9 2HD2 LEU 9 6.275 -7.460 -14.477 69 3HD2 LEU 9 3HD2 LEU 9 7.288 -8.710 -15.291 70 H ALA 10 H ALA 10 6.949 -8.577 -8.804 71 HA ALA 10 HA ALA 10 5.642 -6.295 -7.891 72 1HB ALA 10 1HB ALA 10 5.384 -8.501 -6.756 73 2HB ALA 10 2HB ALA 10 5.980 -7.257 -5.612 74 3HB ALA 10 3HB ALA 10 7.122 -8.470 -6.295 75 H ASP 11 H ASP 11 9.017 -7.362 -7.327 76 HA ASP 11 HA ASP 11 9.946 -5.360 -5.805 77 1HB ASP 11 2HB ASP 11 10.987 -7.573 -6.595 78 2HB ASP 11 1HB ASP 11 11.381 -6.773 -8.142 79 H GLN 12 H GLN 12 10.138 -5.437 -9.391 80 HA GLN 12 HA GLN 12 11.016 -2.900 -9.787 81 1HB GLN 12 2HB GLN 12 9.198 -4.696 -11.465 82 2HB GLN 12 1HB GLN 12 10.061 -3.247 -12.094 83 1HG GLN 12 2HG GLN 12 12.246 -4.213 -11.385 84 2HG GLN 12 1HG GLN 12 11.483 -5.688 -10.789 85 1HE2 GLN 12 1HE2 GLN 12 10.340 -7.092 -12.266 86 2HE2 GLN 12 2HE2 GLN 12 10.840 -7.171 -13.943 87 H LEU 13 H LEU 13 7.445 -3.820 -9.709 88 HA LEU 13 HA LEU 13 6.834 -1.132 -10.142 89 1HB LEU 13 2HB LEU 13 4.663 -1.663 -10.013 90 2HB LEU 13 1HB LEU 13 5.476 -2.962 -10.953 91 HG LEU 13 HG LEU 13 5.271 -4.115 -8.420 92 1HD1 LEU 13 1HD1 LEU 13 2.895 -3.606 -7.656 93 2HD1 LEU 13 2HD1 LEU 13 2.791 -2.296 -8.876 94 3HD1 LEU 13 3HD1 LEU 13 3.950 -2.151 -7.507 95 1HD2 LEU 13 1HD2 LEU 13 3.113 -4.094 -10.633 96 2HD2 LEU 13 2HD2 LEU 13 3.328 -5.354 -9.357 97 3HD2 LEU 13 3HD2 LEU 13 4.590 -5.130 -10.622 98 H TRP 14 H TRP 14 6.990 -3.008 -7.190 99 HA TRP 14 HA TRP 14 6.203 -1.266 -5.262 100 1HB TRP 14 2HB TRP 14 8.321 -3.389 -5.502 101 2HB TRP 14 1HB TRP 14 8.556 -2.271 -4.166 102 HD1 TRP 14 HD TRP 14 8.256 -3.606 -2.214 103 HE1 TRP 14 1HE TRP 14 6.242 -4.863 -1.097 104 HE3 TRP 14 3HE TRP 14 5.010 -3.629 -6.103 105 HZ2 TRP 14 2HZ TRP 14 3.807 -5.894 -1.859 106 HZ3 TRP 14 3HZ TRP 14 2.868 -4.794 -5.860 107 HH2 TRP 14 HH TRP 14 2.266 -5.895 -3.778 108 H LEU 15 H LEU 15 9.549 -1.367 -6.591 109 HA LEU 15 HA LEU 15 10.225 0.957 -5.142 110 1HB LEU 15 2HB LEU 15 12.376 0.834 -6.042 111 2HB LEU 15 1HB LEU 15 11.815 -0.809 -5.678 112 HG LEU 15 HG LEU 15 11.175 -0.806 -8.298 113 1HD1 LEU 15 1HD1 LEU 15 13.501 1.228 -8.049 114 2HD1 LEU 15 2HD1 LEU 15 11.902 1.550 -8.811 115 3HD1 LEU 15 3HD1 LEU 15 13.063 0.395 -9.573 116 1HD2 LEU 15 1HD2 LEU 15 13.385 -1.879 -8.726 117 2HD2 LEU 15 2HD2 LEU 15 12.709 -2.393 -7.138 118 3HD2 LEU 15 3HD2 LEU 15 14.029 -1.168 -7.200 119 H THR 16 H THR 16 8.937 0.458 -8.344 120 HA THR 16 HA THR 16 9.433 3.052 -9.303 121 HB THR 16 HB THR 16 7.221 1.118 -10.067 122 HG1 THR 16 1HG THR 16 9.136 0.270 -10.585 123 1HG2 THR 16 1HG2 THR 16 7.258 2.471 -12.221 124 2HG2 THR 16 2HG2 THR 16 8.310 3.691 -11.412 125 3HG2 THR 16 3HG2 THR 16 6.624 3.413 -10.833 126 H ILE 17 H ILE 17 6.462 1.719 -7.711 127 HA ILE 17 HA ILE 17 5.154 4.157 -7.653 128 HB ILE 17 HB ILE 17 4.874 1.794 -5.783 129 1HG1 ILE 17 2HG1 ILE 17 3.235 2.662 -8.243 130 2HG1 ILE 17 1HG1 ILE 17 4.517 1.427 -8.342 131 1HG2 ILE 17 1HG2 ILE 17 2.988 4.174 -6.364 132 2HG2 ILE 17 2HG2 ILE 17 3.882 3.920 -4.818 133 3HG2 ILE 17 3HG2 ILE 17 2.627 2.759 -5.318 134 1HD1 ILE 17 1HD1 ILE 17 1.958 1.190 -6.637 135 2HD1 ILE 17 2HD1 ILE 17 3.312 0.004 -6.664 136 3HD1 ILE 17 3HD1 ILE 17 2.349 0.309 -8.151 137 H GLU 18 H GLU 18 7.326 2.693 -5.205 138 HA GLU 18 HA GLU 18 7.120 4.661 -3.298 139 1HB GLU 18 2HB GLU 18 8.362 2.440 -3.153 140 2HB GLU 18 1HB GLU 18 9.635 3.166 -4.147 141 1HG GLU 18 2HG GLU 18 9.467 5.055 -2.083 142 2HG GLU 18 1HG GLU 18 9.022 3.541 -1.223 143 H GLU 19 H GLU 19 9.603 4.515 -5.899 144 HA GLU 19 HA GLU 19 10.633 7.008 -5.110 145 1HB GLU 19 2HB GLU 19 11.853 5.024 -6.108 146 2HB GLU 19 1HB GLU 19 11.274 5.566 -7.707 147 1HG GLU 19 2HG GLU 19 12.452 7.793 -7.344 148 2HG GLU 19 1HG GLU 19 12.870 7.280 -5.675 149 H ARG 20 H ARG 20 8.340 6.138 -7.721 150 HA ARG 20 HA ARG 20 8.455 8.656 -8.954 151 1HB ARG 20 2HB ARG 20 7.441 6.567 -9.944 152 2HB ARG 20 1HB ARG 20 6.033 6.859 -8.898 153 1HG ARG 20 2HG ARG 20 5.277 7.995 -10.724 154 2HG ARG 20 1HG ARG 20 6.203 9.352 -10.082 155 1HD ARG 20 2HD ARG 20 7.262 7.319 -12.168 156 2HD ARG 20 1HD ARG 20 6.487 8.903 -12.582 157 HE ARG 20 HE ARG 20 8.423 9.775 -10.886 158 1HH1 ARG 20 1HH1 ARG 20 8.733 7.606 -13.794 159 2HH1 ARG 20 2HH1 ARG 20 10.365 8.161 -14.023 160 1HH2 ARG 20 1HH2 ARG 20 10.697 9.849 -11.099 161 2HH2 ARG 20 2HH2 ARG 20 11.393 9.429 -12.623 162 H LEU 21 H LEU 21 6.347 7.407 -6.295 163 HA LEU 21 HA LEU 21 5.031 9.912 -6.122 164 1HB LEU 21 2HB LEU 21 4.992 7.356 -4.505 165 2HB LEU 21 1HB LEU 21 4.252 8.843 -3.850 166 HG LEU 21 HG LEU 21 2.573 7.486 -4.862 167 1HD1 LEU 21 1HD1 LEU 21 1.439 9.175 -6.177 168 2HD1 LEU 21 2HD1 LEU 21 2.978 9.952 -6.669 169 3HD1 LEU 21 3HD1 LEU 21 2.451 10.032 -4.944 170 1HD2 LEU 21 1HD2 LEU 21 3.924 7.837 -7.610 171 2HD2 LEU 21 2HD2 LEU 21 2.342 7.058 -7.269 172 3HD2 LEU 21 3HD2 LEU 21 3.860 6.297 -6.662 173 H ASP 22 H ASP 22 7.864 8.574 -4.431 174 HA ASP 22 HA ASP 22 8.184 10.586 -2.599 175 1HB ASP 22 2HB ASP 22 9.573 8.471 -2.864 176 2HB ASP 22 1HB ASP 22 10.351 9.202 -4.301 177 H ASP 23 H ASP 23 9.384 10.533 -5.976 178 HA ASP 23 HA ASP 23 10.196 13.295 -5.684 179 1HB ASP 23 2HB ASP 23 11.486 11.159 -6.616 180 2HB ASP 23 1HB ASP 23 10.553 11.492 -8.118 181 H TRP 24 H TRP 24 7.336 12.612 -5.874 182 HA TRP 24 HA TRP 24 6.462 13.577 -8.427 183 1HB TRP 24 2HB TRP 24 5.288 11.864 -7.023 184 2HB TRP 24 1HB TRP 24 4.927 13.126 -5.816 185 HD1 TRP 24 HD TRP 24 2.510 14.141 -6.183 186 HE1 TRP 24 1HE TRP 24 0.763 14.045 -8.044 187 HE3 TRP 24 3HE TRP 24 5.324 11.874 -9.744 188 HZ2 TRP 24 2HZ TRP 24 0.639 13.159 -10.743 189 HZ3 TRP 24 3HZ TRP 24 4.329 11.421 -11.933 190 HH2 TRP 24 HH TRP 24 2.028 12.050 -12.425 191 H ASP 25 H ASP 25 4.522 15.379 -8.088 192 HA ASP 25 HA ASP 25 5.984 17.729 -7.363 193 1HB ASP 25 2HB ASP 25 4.601 17.463 -9.481 194 2HB ASP 25 1HB ASP 25 3.127 17.467 -8.447 195 H GLY 26 H GLY 26 6.042 16.773 -5.102 196 1HA GLY 26 2HA GLY 26 4.580 18.446 -3.412 197 2HA GLY 26 1HA GLY 26 3.918 16.755 -3.388 198 H ASP 27 H ASP 27 5.648 18.507 -1.440 199 HA ASP 27 HA ASP 27 7.847 16.589 -1.144 200 1HB ASP 27 2HB ASP 27 8.147 19.207 -1.540 201 2HB ASP 27 1HB ASP 27 7.692 19.345 0.192 202 H SER 28 H SER 28 5.278 18.404 0.490 203 HA SER 28 HA SER 28 5.324 16.677 2.855 204 1HB SER 28 2HB SER 28 3.575 19.057 2.022 205 2HB SER 28 1HB SER 28 3.371 18.141 3.551 206 HG SER 28 HG SER 28 5.362 18.809 4.199 207 H ASP 29 H ASP 29 3.373 15.848 3.599 208 HA ASP 29 HA ASP 29 2.024 14.234 3.582 209 1HB ASP 29 2HB ASP 29 0.919 16.419 3.071 210 2HB ASP 29 1HB ASP 29 0.889 15.949 1.357 211 H ILE 30 H ILE 30 4.331 13.630 1.726 212 HA ILE 30 HA ILE 30 3.117 11.169 0.958 213 HB ILE 30 HB ILE 30 2.732 12.503 -1.017 214 1HG1 ILE 30 2HG1 ILE 30 3.935 11.093 -2.691 215 2HG1 ILE 30 1HG1 ILE 30 4.873 10.332 -1.376 216 1HG2 ILE 30 1HG2 ILE 30 5.771 12.855 -1.278 217 2HG2 ILE 30 2HG2 ILE 30 4.625 14.153 -0.761 218 3HG2 ILE 30 3HG2 ILE 30 4.495 13.425 -2.396 219 1HD1 ILE 30 1HD1 ILE 30 2.836 8.973 -2.062 220 2HD1 ILE 30 2HD1 ILE 30 1.774 10.356 -1.618 221 3HD1 ILE 30 3HD1 ILE 30 2.712 9.499 -0.344 222 H ASP 31 H ASP 31 4.259 9.912 2.143 223 HA ASP 31 HA ASP 31 7.157 9.863 1.851 224 1HB ASP 31 2HB ASP 31 6.346 11.478 3.709 225 2HB ASP 31 1HB ASP 31 5.671 10.047 4.552 226 H CYS 32 H CYS 32 7.481 7.711 1.200 227 HA CYS 32 HA CYS 32 5.439 5.818 2.013 228 1HB CYS 32 2HB CYS 32 6.477 5.939 -0.366 229 2HB CYS 32 1HB CYS 32 7.925 5.291 0.407 230 HG CYS 32 HG CYS 32 6.716 3.055 1.272 231 H GLU 33 H GLU 33 5.659 4.026 3.299 232 HA GLU 33 HA GLU 33 8.110 3.663 4.843 233 1HB GLU 33 2HB GLU 33 5.332 2.362 4.923 234 2HB GLU 33 1HB GLU 33 6.709 1.770 5.877 235 1HG GLU 33 2HG GLU 33 6.903 3.967 7.048 236 2HG GLU 33 1HG GLU 33 5.425 4.552 6.202 237 H ILE 34 H ILE 34 9.449 1.916 4.444 238 HA ILE 34 HA ILE 34 8.485 -0.115 2.573 239 HB ILE 34 HB ILE 34 11.322 0.904 2.684 240 1HG1 ILE 34 2HG1 ILE 34 10.659 1.547 0.179 241 2HG1 ILE 34 1HG1 ILE 34 9.022 1.737 0.867 242 1HG2 ILE 34 1HG2 ILE 34 9.848 -1.063 0.804 243 2HG2 ILE 34 2HG2 ILE 34 11.108 -1.488 2.022 244 3HG2 ILE 34 3HG2 ILE 34 11.537 -0.493 0.593 245 1HD1 ILE 34 1HD1 ILE 34 10.311 3.902 0.871 246 2HD1 ILE 34 2HD1 ILE 34 11.599 3.129 1.881 247 3HD1 ILE 34 3HD1 ILE 34 9.957 3.382 2.562 248 H ASN 35 H ASN 35 8.155 -1.610 3.831 249 HA ASN 35 HA ASN 35 10.279 -2.530 5.688 250 1HB ASN 35 2HB ASN 35 7.265 -2.517 6.240 251 2HB ASN 35 1HB ASN 35 8.493 -3.332 7.284 252 1HD2 ASN 35 1HD2 ASN 35 10.535 -1.663 7.689 253 2HD2 ASN 35 2HD2 ASN 35 9.974 -0.195 8.408 254 H GLY 36 H GLY 36 10.966 -3.739 3.836 255 1HA GLY 36 2HA GLY 36 11.468 -5.725 3.136 256 2HA GLY 36 1HA GLY 36 10.643 -6.291 4.621 257 H GLY 37 H GLY 37 8.876 -4.839 1.965 258 1HA GLY 37 2HA GLY 37 7.999 -6.406 0.223 259 2HA GLY 37 1HA GLY 37 7.517 -7.436 1.619 260 H VAL 38 H VAL 38 6.927 -5.147 3.357 261 HA VAL 38 HA VAL 38 4.306 -4.485 2.311 262 HB VAL 38 HB VAL 38 5.655 -3.808 4.952 263 1HG1 VAL 38 1HG1 VAL 38 3.767 -2.265 4.462 264 2HG1 VAL 38 2HG1 VAL 38 3.233 -3.485 5.663 265 3HG1 VAL 38 3HG1 VAL 38 2.736 -3.653 3.943 266 1HG2 VAL 38 1HG2 VAL 38 5.486 -6.268 4.749 267 2HG2 VAL 38 2HG2 VAL 38 3.791 -6.130 4.144 268 3HG2 VAL 38 3HG2 VAL 38 4.188 -5.673 5.839 269 H LEU 39 H LEU 39 3.855 -2.512 1.292 270 HA LEU 39 HA LEU 39 5.647 -0.293 1.928 271 1HB LEU 39 2HB LEU 39 3.943 -0.901 -0.543 272 2HB LEU 39 1HB LEU 39 4.738 0.670 -0.280 273 HG LEU 39 HG LEU 39 6.185 -2.006 -0.623 274 1HD1 LEU 39 1HD1 LEU 39 5.187 -1.124 -2.748 275 2HD1 LEU 39 2HD1 LEU 39 6.986 -0.884 -2.774 276 3HD1 LEU 39 3HD1 LEU 39 5.897 0.506 -2.414 277 1HD2 LEU 39 1HD2 LEU 39 8.270 -0.588 -0.773 278 2HD2 LEU 39 2HD2 LEU 39 7.517 -0.571 0.861 279 3HD2 LEU 39 3HD2 LEU 39 7.305 0.846 -0.248 280 H THR 40 H THR 40 4.743 1.301 2.946 281 HA THR 40 HA THR 40 1.792 1.525 2.819 282 HB THR 40 HB THR 40 3.027 2.743 5.247 283 HG1 THR 40 1HG THR 40 3.658 1.058 6.095 284 1HG2 THR 40 1HG2 THR 40 0.555 2.776 4.588 285 2HG2 THR 40 2HG2 THR 40 0.844 1.915 6.154 286 3HG2 THR 40 3HG2 THR 40 0.577 0.968 4.645 287 H ILE 41 H ILE 41 1.304 3.265 1.630 288 HA ILE 41 HA ILE 41 3.383 5.294 1.455 289 HB ILE 41 HB ILE 41 0.752 4.951 0.034 290 1HG1 ILE 41 2HG1 ILE 41 3.585 5.114 -1.126 291 2HG1 ILE 41 1HG1 ILE 41 2.894 3.570 -0.560 292 1HG2 ILE 41 1HG2 ILE 41 2.785 7.272 -0.126 293 2HG2 ILE 41 2HG2 ILE 41 1.055 7.399 0.385 294 3HG2 ILE 41 3HG2 ILE 41 1.456 6.992 -1.306 295 1HD1 ILE 41 1HD1 ILE 41 0.943 3.841 -2.126 296 2HD1 ILE 41 2HD1 ILE 41 2.517 3.792 -2.985 297 3HD1 ILE 41 3HD1 ILE 41 1.673 5.365 -2.763 298 H THR 42 H THR 42 3.487 6.802 2.948 299 HA THR 42 HA THR 42 1.115 7.144 4.639 300 HB THR 42 HB THR 42 4.012 7.540 5.402 301 HG1 THR 42 1HG THR 42 3.477 5.395 4.948 302 1HG2 THR 42 1HG2 THR 42 2.379 8.826 6.841 303 2HG2 THR 42 2HG2 THR 42 3.052 7.413 7.716 304 3HG2 THR 42 3HG2 THR 42 1.385 7.328 7.039 305 H PHE 43 H PHE 43 0.433 9.138 5.315 306 HA PHE 43 HA PHE 43 1.378 11.379 3.663 307 1HB PHE 43 2HB PHE 43 -1.366 10.780 4.938 308 2HB PHE 43 1HB PHE 43 -0.972 12.196 3.908 309 HD1 PHE 43 1HD PHE 43 -1.252 12.040 1.601 310 HD2 PHE 43 2HD PHE 43 -1.157 8.489 3.918 311 HE1 PHE 43 1HE PHE 43 -2.074 10.752 -0.322 312 HE2 PHE 43 2HE PHE 43 -2.026 7.210 2.034 313 HZ PHE 43 HZ PHE 43 -2.523 8.335 -0.074 314 H GLU 44 H GLU 44 1.522 13.565 4.828 315 HA GLU 44 HA GLU 44 1.817 13.509 7.574 316 1HB GLU 44 2HB GLU 44 1.334 15.571 5.387 317 2HB GLU 44 1HB GLU 44 1.502 16.083 7.075 318 1HG GLU 44 2HG GLU 44 3.631 14.213 5.820 319 2HG GLU 44 1HG GLU 44 3.630 15.972 5.466 320 H ASN 45 H ASN 45 -1.063 13.903 5.581 321 HA ASN 45 HA ASN 45 -2.802 14.564 7.671 322 1HB ASN 45 2HB ASN 45 -3.145 13.054 5.022 323 2HB ASN 45 1HB ASN 45 -4.526 13.301 6.144 324 1HD2 ASN 45 1HD2 ASN 45 -2.690 14.832 3.616 325 2HD2 ASN 45 2HD2 ASN 45 -3.591 16.305 3.683 326 H GLY 46 H GLY 46 -0.935 11.742 7.476 327 1HA GLY 46 2HA GLY 46 -0.794 10.331 9.186 328 2HA GLY 46 1HA GLY 46 -2.450 10.754 9.721 329 H SER 47 H SER 47 -2.944 10.214 6.654 330 HA SER 47 HA SER 47 -4.138 7.739 7.095 331 1HB SER 47 2HB SER 47 -3.958 9.185 4.414 332 2HB SER 47 1HB SER 47 -5.310 8.185 5.103 333 HG SER 47 HG SER 47 -5.741 10.417 5.283 334 H LYS 48 H LYS 48 -4.020 6.427 4.468 335 HA LYS 48 HA LYS 48 -1.353 5.575 4.251 336 1HB LYS 48 2HB LYS 48 -1.568 3.375 5.475 337 2HB LYS 48 1HB LYS 48 -1.421 4.834 6.480 338 1HG LYS 48 2HG LYS 48 -3.922 4.861 6.803 339 2HG LYS 48 1HG LYS 48 -4.017 3.305 5.927 340 1HD LYS 48 2HD LYS 48 -2.651 2.213 7.674 341 2HD LYS 48 1HD LYS 48 -2.386 3.794 8.490 342 1HE LYS 48 2HE LYS 48 -4.843 4.027 8.904 343 2HE LYS 48 1HE LYS 48 -5.140 2.444 8.081 344 1HZ LYS 48 1HZ LYS 48 -3.655 2.916 10.626 345 2HZ LYS 48 2HZ LYS 48 -3.732 1.416 9.825 346 3HZ LYS 48 3HZ LYS 48 -5.134 2.153 10.393 347 H ILE 49 H ILE 49 -1.095 4.616 2.400 348 HA ILE 49 HA ILE 49 -3.245 2.920 1.341 349 HB ILE 49 HB ILE 49 -0.616 3.429 -0.065 350 1HG1 ILE 49 2HG1 ILE 49 -1.298 5.633 0.403 351 2HG1 ILE 49 1HG1 ILE 49 -1.470 5.224 -1.327 352 1HG2 ILE 49 1HG2 ILE 49 -3.450 2.707 -1.004 353 2HG2 ILE 49 2HG2 ILE 49 -2.072 1.570 -0.839 354 3HG2 ILE 49 3HG2 ILE 49 -1.992 2.904 -2.042 355 1HD1 ILE 49 1HD1 ILE 49 -3.990 4.872 -0.955 356 2HD1 ILE 49 2HD1 ILE 49 -3.423 6.562 -0.763 357 3HD1 ILE 49 3HD1 ILE 49 -3.758 5.563 0.701 358 H ILE 50 H ILE 50 -3.006 0.733 2.264 359 HA ILE 50 HA ILE 50 -0.239 0.010 2.803 360 HB ILE 50 HB ILE 50 -1.353 0.187 4.762 361 1HG1 ILE 50 2HG1 ILE 50 -1.434 -2.186 5.582 362 2HG1 ILE 50 1HG1 ILE 50 -1.365 -2.713 3.865 363 1HG2 ILE 50 1HG2 ILE 50 -3.513 -1.053 5.251 364 2HG2 ILE 50 2HG2 ILE 50 -3.643 -1.447 3.499 365 3HG2 ILE 50 3HG2 ILE 50 -3.724 0.271 4.059 366 1HD1 ILE 50 1HD1 ILE 50 0.960 -1.593 3.682 367 2HD1 ILE 50 2HD1 ILE 50 0.907 -2.801 5.015 368 3HD1 ILE 50 3HD1 ILE 50 0.792 -1.040 5.370 369 H ILE 51 H ILE 51 0.705 -1.268 1.566 370 HA ILE 51 HA ILE 51 -0.810 -3.160 -0.081 371 HB ILE 51 HB ILE 51 1.617 -1.550 -0.931 372 1HG1 ILE 51 2HG1 ILE 51 -1.381 -1.117 -1.038 373 2HG1 ILE 51 1HG1 ILE 51 -0.119 -0.017 -0.575 374 1HG2 ILE 51 1HG2 ILE 51 1.055 -2.440 -3.179 375 2HG2 ILE 51 2HG2 ILE 51 -0.342 -3.350 -2.507 376 3HG2 ILE 51 3HG2 ILE 51 1.352 -3.804 -2.070 377 1HD1 ILE 51 1HD1 ILE 51 -0.738 -0.993 -3.464 378 2HD1 ILE 51 2HD1 ILE 51 0.674 0.044 -3.057 379 3HD1 ILE 51 3HD1 ILE 51 -1.004 0.666 -2.822 380 H ASN 52 H ASN 52 -0.090 -5.161 -0.184 381 HA ASN 52 HA ASN 52 2.532 -5.950 0.541 382 1HB ASN 52 2HB ASN 52 1.916 -5.404 2.743 383 2HB ASN 52 1HB ASN 52 0.267 -6.011 2.580 384 1HD2 ASN 52 1HD2 ASN 52 0.589 -7.099 4.587 385 2HD2 ASN 52 2HD2 ASN 52 1.380 -8.649 4.623 386 H ARG 53 H ARG 53 2.268 -8.518 0.841 387 HA ARG 53 HA ARG 53 0.676 -9.436 -1.457 388 1HB ARG 53 2HB ARG 53 2.654 -8.279 -2.421 389 2HB ARG 53 1HB ARG 53 3.650 -9.007 -1.163 390 1HG ARG 53 2HG ARG 53 3.325 -11.300 -2.280 391 2HG ARG 53 1HG ARG 53 2.192 -10.551 -3.436 392 1HD ARG 53 2HD ARG 53 4.311 -10.887 -4.593 393 2HD ARG 53 1HD ARG 53 4.113 -9.115 -4.314 394 HE ARG 53 HE ARG 53 5.996 -9.184 -2.911 395 1HH1 ARG 53 1HH1 ARG 53 4.835 -12.604 -3.172 396 2HH1 ARG 53 2HH1 ARG 53 6.265 -13.190 -2.426 397 1HH2 ARG 53 1HH2 ARG 53 7.798 -10.122 -1.791 398 2HH2 ARG 53 2HH2 ARG 53 7.990 -11.826 -1.820 399 H GLN 54 H GLN 54 0.317 -11.669 -1.383 400 HA GLN 54 HA GLN 54 1.781 -13.192 0.633 401 1HB GLN 54 2HB GLN 54 0.233 -12.431 2.118 402 2HB GLN 54 1HB GLN 54 -0.867 -11.860 0.849 403 1HG GLN 54 2HG GLN 54 -1.811 -14.000 0.450 404 2HG GLN 54 1HG GLN 54 -0.688 -14.839 1.607 405 1HE2 GLN 54 1HE2 GLN 54 -1.840 -15.387 3.424 406 2HE2 GLN 54 2HE2 GLN 54 -2.863 -14.291 4.309 407 H GLU 55 H GLU 55 -0.784 -13.057 -1.908 408 HA GLU 55 HA GLU 55 -1.112 -15.766 -1.738 409 1HB GLU 55 2HB GLU 55 -2.033 -13.872 -3.939 410 2HB GLU 55 1HB GLU 55 -2.662 -15.513 -3.611 411 1HG GLU 55 2HG GLU 55 -3.324 -14.681 -1.252 412 2HG GLU 55 1HG GLU 55 -2.935 -13.015 -1.825 413 HA PRO 56 HA PRO 56 1.560 -16.993 -5.142 414 1HB PRO 56 2HB PRO 56 0.712 -19.564 -5.558 415 2HB PRO 56 1HB PRO 56 1.494 -19.103 -4.003 416 1HG PRO 56 2HG PRO 56 -1.527 -19.259 -4.574 417 2HG PRO 56 1HG PRO 56 -0.608 -20.046 -3.224 418 1HD PRO 56 2HD PRO 56 -1.882 -17.566 -3.006 419 2HD PRO 56 1HD PRO 56 -0.375 -17.970 -2.065 420 H LEU 57 H LEU 57 1.029 -18.251 -7.303 421 HA LEU 57 HA LEU 57 0.094 -18.441 -9.211 422 1HB LEU 57 2HB LEU 57 -2.479 -17.125 -8.279 423 2HB LEU 57 1HB LEU 57 -2.224 -18.059 -9.791 424 HG LEU 57 HG LEU 57 -1.834 -19.109 -6.961 425 1HD1 LEU 57 1HD1 LEU 57 -4.222 -18.508 -7.342 426 2HD1 LEU 57 2HD1 LEU 57 -4.031 -20.299 -7.234 427 3HD1 LEU 57 3HD1 LEU 57 -4.255 -19.513 -8.845 428 1HD2 LEU 57 1HD2 LEU 57 -2.023 -20.650 -9.640 429 2HD2 LEU 57 2HD2 LEU 57 -1.956 -21.407 -8.005 430 3HD2 LEU 57 3HD2 LEU 57 -0.547 -20.475 -8.613 431 H HIS 58 H HIS 58 -0.691 -15.526 -7.732 432 HA HIS 58 HA HIS 58 0.932 -13.669 -8.371 433 1HB HIS 58 2HB HIS 58 -0.736 -13.891 -10.902 434 2HB HIS 58 1HB HIS 58 0.013 -12.356 -10.395 435 HD1 HIS 58 1HD HIS 58 1.281 -12.388 -12.578 436 HD2 HIS 58 2HD HIS 58 2.427 -15.409 -9.918 437 HE1 HIS 58 1HE HIS 58 3.406 -13.396 -13.494 438 H GLN 59 H GLN 59 -0.466 -12.940 -6.301 439 HA GLN 59 HA GLN 59 -2.235 -10.989 -7.335 440 1HB GLN 59 2HB GLN 59 -3.749 -12.999 -7.064 441 2HB GLN 59 1HB GLN 59 -3.448 -12.866 -5.297 442 1HG GLN 59 2HG GLN 59 -4.498 -10.663 -5.200 443 2HG GLN 59 1HG GLN 59 -4.485 -10.524 -6.993 444 1HE2 GLN 59 1HE2 GLN 59 -5.660 -13.432 -5.091 445 2HE2 GLN 59 2HE2 GLN 59 -7.265 -13.277 -5.743 446 H VAL 60 H VAL 60 -2.539 -9.301 -6.006 447 HA VAL 60 HA VAL 60 -1.040 -9.208 -3.480 448 HB VAL 60 HB VAL 60 -0.914 -7.705 -6.029 449 1HG1 VAL 60 1HG1 VAL 60 -1.519 -5.780 -4.539 450 2HG1 VAL 60 2HG1 VAL 60 0.203 -5.732 -5.027 451 3HG1 VAL 60 3HG1 VAL 60 -0.230 -6.274 -3.371 452 1HG2 VAL 60 1HG2 VAL 60 0.766 -9.456 -5.080 453 2HG2 VAL 60 2HG2 VAL 60 1.129 -8.264 -3.788 454 3HG2 VAL 60 3HG2 VAL 60 1.517 -7.857 -5.503 455 H TRP 61 H TRP 61 -1.665 -7.349 -2.033 456 HA TRP 61 HA TRP 61 -4.514 -6.783 -2.331 457 1HB TRP 61 2HB TRP 61 -4.874 -7.420 -0.276 458 2HB TRP 61 1HB TRP 61 -3.281 -8.222 -0.313 459 HD1 TRP 61 HD TRP 61 -1.260 -6.373 0.704 460 HE1 TRP 61 1HE TRP 61 -1.686 -4.210 2.152 461 HE3 TRP 61 3HE TRP 61 -6.256 -6.611 1.358 462 HZ2 TRP 61 2HZ TRP 61 -3.521 -3.710 4.312 463 HZ3 TRP 61 3HZ TRP 61 -7.249 -5.479 3.290 464 HH2 TRP 61 HH TRP 61 -5.911 -4.063 4.741 465 H LEU 62 H LEU 62 -5.259 -4.567 -1.747 466 HA LEU 62 HA LEU 62 -3.278 -2.872 -0.785 467 1HB LEU 62 2HB LEU 62 -3.061 -1.212 -2.340 468 2HB LEU 62 1HB LEU 62 -2.777 -2.731 -3.246 469 HG LEU 62 HG LEU 62 -5.436 -1.178 -3.297 470 1HD1 LEU 62 1HD1 LEU 62 -3.062 -0.975 -5.254 471 2HD1 LEU 62 2HD1 LEU 62 -3.576 0.300 -4.091 472 3HD1 LEU 62 3HD1 LEU 62 -4.666 -0.180 -5.436 473 1HD2 LEU 62 1HD2 LEU 62 -5.616 -3.537 -3.994 474 2HD2 LEU 62 2HD2 LEU 62 -4.223 -3.321 -5.131 475 3HD2 LEU 62 3HD2 LEU 62 -5.777 -2.442 -5.428 476 H ALA 63 H ALA 63 -4.172 -1.711 0.669 477 HA ALA 63 HA ALA 63 -7.036 -1.063 0.371 478 1HB ALA 63 1HB ALA 63 -7.327 -1.374 2.808 479 2HB ALA 63 2HB ALA 63 -5.590 -1.830 2.955 480 3HB ALA 63 3HB ALA 63 -6.716 -2.874 2.018 481 H THR 64 H THR 64 -7.751 0.817 0.492 482 HA THR 64 HA THR 64 -6.148 2.870 1.830 483 HB THR 64 HB THR 64 -7.835 3.469 -0.621 484 HG1 THR 64 1HG THR 64 -6.286 2.436 -1.515 485 1HG2 THR 64 1HG2 THR 64 -5.676 4.886 1.102 486 2HG2 THR 64 2HG2 THR 64 -7.392 5.401 0.942 487 3HG2 THR 64 3HG2 THR 64 -6.286 5.522 -0.467 488 H LYS 65 H LYS 65 -9.302 3.577 0.433 489 HA LYS 65 HA LYS 65 -10.167 4.116 3.201 490 1HB LYS 65 2HB LYS 65 -9.124 6.005 1.954 491 2HB LYS 65 1HB LYS 65 -10.496 5.978 0.813 492 1HG LYS 65 2HG LYS 65 -10.926 6.163 3.859 493 2HG LYS 65 1HG LYS 65 -10.344 7.577 2.951 494 1HD LYS 65 2HD LYS 65 -12.272 7.481 1.415 495 2HD LYS 65 1HD LYS 65 -12.962 6.088 2.285 496 1HE LYS 65 2HE LYS 65 -12.440 8.832 3.631 497 2HE LYS 65 1HE LYS 65 -13.963 8.406 2.764 498 1HZ LYS 65 1HZ LYS 65 -13.876 6.341 4.357 499 2HZ LYS 65 2HZ LYS 65 -14.488 7.822 4.864 500 3HZ LYS 65 3HZ LYS 65 -12.924 7.323 5.300 501 H GLN 66 H GLN 66 -11.193 3.396 -0.170 502 HA GLN 66 HA GLN 66 -13.932 3.558 0.557 503 1HB GLN 66 2HB GLN 66 -12.907 4.366 -1.536 504 2HB GLN 66 1HB GLN 66 -12.526 2.705 -2.025 505 1HG GLN 66 2HG GLN 66 -15.437 3.483 -1.350 506 2HG GLN 66 1HG GLN 66 -14.688 4.075 -2.870 507 1HE2 GLN 66 1HE2 GLN 66 -16.559 1.554 -1.699 508 2HE2 GLN 66 2HE2 GLN 66 -16.124 0.360 -2.907 509 H GLY 67 H GLY 67 -11.543 1.048 0.466 510 1HA GLY 67 2HA GLY 67 -13.193 -0.581 1.986 511 2HA GLY 67 1HA GLY 67 -13.220 -1.179 0.286 512 H GLY 68 H GLY 68 -10.884 -1.118 -0.657 513 1HA GLY 68 2HA GLY 68 -8.711 -1.808 -0.389 514 2HA GLY 68 1HA GLY 68 -9.083 -2.641 1.160 515 H TYR 69 H TYR 69 -8.403 -3.021 -2.034 516 HA TYR 69 HA TYR 69 -10.013 -5.450 -2.386 517 1HB TYR 69 2HB TYR 69 -9.104 -3.303 -4.375 518 2HB TYR 69 1HB TYR 69 -9.988 -4.803 -4.838 519 HD1 TYR 69 1HD TYR 69 -10.667 -1.926 -5.369 520 HD2 TYR 69 2HD TYR 69 -11.971 -4.604 -2.319 521 HE1 TYR 69 1HE TYR 69 -12.833 -0.784 -5.251 522 HE2 TYR 69 2HE TYR 69 -14.101 -3.489 -2.238 523 HH TYR 69 HH TYR 69 -15.468 -1.919 -3.188 524 H HIS 70 H HIS 70 -8.969 -6.912 -4.146 525 HA HIS 70 HA HIS 70 -6.068 -6.687 -3.954 526 1HB HIS 70 2HB HIS 70 -6.030 -9.216 -4.241 527 2HB HIS 70 1HB HIS 70 -6.429 -8.520 -2.646 528 HD1 HIS 70 1HD HIS 70 -8.052 -10.523 -5.438 529 HD2 HIS 70 2HD HIS 70 -9.115 -8.876 -1.714 530 HE1 HIS 70 1HE HIS 70 -10.329 -11.351 -4.897 531 H PHE 71 H PHE 71 -4.965 -7.810 -5.707 532 HA PHE 71 HA PHE 71 -5.923 -6.240 -7.992 533 1HB PHE 71 2HB PHE 71 -4.723 -5.074 -6.181 534 2HB PHE 71 1HB PHE 71 -3.486 -6.346 -6.108 535 HD1 PHE 71 1HD PHE 71 -4.883 -3.826 -8.530 536 HD2 PHE 71 2HD PHE 71 -1.486 -5.863 -6.984 537 HE1 PHE 71 1HE PHE 71 -3.399 -2.384 -9.847 538 HE2 PHE 71 2HE PHE 71 -0.005 -4.402 -8.275 539 HZ PHE 71 HZ PHE 71 -0.956 -2.701 -9.739 540 H ASP 72 H ASP 72 -5.744 -7.337 -9.945 541 HA ASP 72 HA ASP 72 -3.520 -9.175 -10.250 542 1HB ASP 72 2HB ASP 72 -5.489 -10.391 -9.392 543 2HB ASP 72 1HB ASP 72 -6.492 -9.774 -10.748 544 H LEU 73 H LEU 73 -3.489 -9.889 -12.564 545 HA LEU 73 HA LEU 73 -3.353 -7.348 -14.093 546 1HB LEU 73 2HB LEU 73 -1.212 -8.342 -13.505 547 2HB LEU 73 1HB LEU 73 -1.707 -9.888 -14.263 548 HG LEU 73 HG LEU 73 -1.750 -8.821 -16.496 549 1HD1 LEU 73 1HD1 LEU 73 -0.729 -6.287 -15.064 550 2HD1 LEU 73 2HD1 LEU 73 -2.328 -6.443 -15.889 551 3HD1 LEU 73 3HD1 LEU 73 -0.801 -6.523 -16.841 552 1HD2 LEU 73 1HD2 LEU 73 0.707 -8.471 -16.731 553 2HD2 LEU 73 2HD2 LEU 73 0.340 -9.886 -15.679 554 3HD2 LEU 73 3HD2 LEU 73 0.864 -8.321 -14.942 555 H LYS 74 H LYS 74 -4.723 -6.999 -15.704 556 HA LYS 74 HA LYS 74 -5.433 -9.295 -17.396 557 1HB LYS 74 2HB LYS 74 -6.784 -6.702 -16.594 558 2HB LYS 74 1HB LYS 74 -7.273 -7.531 -18.105 559 1HG LYS 74 2HG LYS 74 -7.228 -9.028 -15.429 560 2HG LYS 74 1HG LYS 74 -8.639 -8.061 -15.949 561 1HD LYS 74 2HD LYS 74 -8.868 -9.325 -18.021 562 2HD LYS 74 1HD LYS 74 -7.422 -10.306 -17.683 563 1HE LYS 74 2HE LYS 74 -9.927 -10.287 -15.859 564 2HE LYS 74 1HE LYS 74 -9.676 -11.431 -17.235 565 1HZ LYS 74 1HZ LYS 74 -8.920 -12.509 -15.325 566 2HZ LYS 74 2HZ LYS 74 -8.070 -11.209 -14.738 567 3HZ LYS 74 3HZ LYS 74 -7.496 -12.017 -16.096 568 H GLY 75 H GLY 75 -3.392 -9.180 -18.464 569 1HA GLY 75 2HA GLY 75 -2.292 -8.705 -20.311 570 2HA GLY 75 1HA GLY 75 -3.605 -7.577 -20.767 571 H ASP 76 H ASP 76 -3.376 -5.407 -20.395 572 HA ASP 76 HA ASP 76 -0.638 -4.499 -19.896 573 1HB ASP 76 2HB ASP 76 -3.021 -3.194 -21.331 574 2HB ASP 76 1HB ASP 76 -1.364 -2.490 -21.188 575 H GLU 77 H GLU 77 -3.447 -4.794 -18.046 576 HA GLU 77 HA GLU 77 -2.860 -2.431 -16.487 577 1HB GLU 77 2HB GLU 77 -4.324 -1.578 -18.328 578 2HB GLU 77 1HB GLU 77 -5.567 -2.775 -17.869 579 1HG GLU 77 2HG GLU 77 -5.847 -1.689 -15.649 580 2HG GLU 77 1HG GLU 77 -4.408 -0.647 -15.943 581 H TRP 78 H TRP 78 -3.167 -2.881 -14.419 582 HA TRP 78 HA TRP 78 -4.192 -5.502 -13.794 583 1HB TRP 78 2HB TRP 78 -3.144 -3.268 -11.996 584 2HB TRP 78 1HB TRP 78 -3.698 -4.869 -11.438 585 HD1 TRP 78 HD TRP 78 -0.888 -3.677 -14.008 586 HE1 TRP 78 1HE TRP 78 1.236 -4.956 -13.339 587 HE3 TRP 78 3HE TRP 78 -2.828 -6.478 -10.265 588 HZ2 TRP 78 2HZ TRP 78 1.977 -6.884 -11.420 589 HZ3 TRP 78 3HZ TRP 78 -1.365 -8.009 -9.033 590 HH2 TRP 78 HH TRP 78 0.985 -8.163 -9.543 591 H ILE 79 H ILE 79 -6.163 -6.001 -13.158 592 HA ILE 79 HA ILE 79 -8.100 -3.854 -12.732 593 HB ILE 79 HB ILE 79 -8.446 -6.671 -13.785 594 1HG1 ILE 79 2HG1 ILE 79 -8.587 -3.808 -14.789 595 2HG1 ILE 79 1HG1 ILE 79 -7.582 -5.123 -15.441 596 1HG2 ILE 79 1HG2 ILE 79 -10.585 -4.538 -13.109 597 2HG2 ILE 79 2HG2 ILE 79 -10.341 -6.101 -12.223 598 3HG2 ILE 79 3HG2 ILE 79 -10.878 -6.112 -13.922 599 1HD1 ILE 79 1HD1 ILE 79 -9.360 -4.746 -17.065 600 2HD1 ILE 79 2HD1 ILE 79 -10.628 -4.768 -15.799 601 3HD1 ILE 79 3HD1 ILE 79 -9.770 -6.287 -16.231 602 H CYS 80 H CYS 80 -9.162 -3.780 -10.913 603 HA CYS 80 HA CYS 80 -8.033 -5.355 -8.825 604 1HB CYS 80 2HB CYS 80 -9.368 -2.821 -8.909 605 2HB CYS 80 1HB CYS 80 -10.179 -3.800 -7.672 606 HG CYS 80 HG CYS 80 -7.845 -4.599 -6.555 607 H ASP 81 H ASP 81 -9.090 -7.004 -7.682 608 HA ASP 81 HA ASP 81 -10.792 -8.444 -9.355 609 1HB ASP 81 2HB ASP 81 -8.751 -9.200 -8.040 610 2HB ASP 81 1HB ASP 81 -9.732 -9.050 -6.537 611 H ARG 82 H ARG 82 -11.569 -6.460 -6.616 612 HA ARG 82 HA ARG 82 -13.884 -8.047 -5.945 613 1HB ARG 82 2HB ARG 82 -12.705 -5.450 -4.914 614 2HB ARG 82 1HB ARG 82 -14.236 -6.110 -4.264 615 1HG ARG 82 2HG ARG 82 -11.921 -8.054 -4.338 616 2HG ARG 82 1HG ARG 82 -11.753 -6.660 -3.232 617 1HD ARG 82 2HD ARG 82 -12.713 -8.586 -2.023 618 2HD ARG 82 1HD ARG 82 -13.873 -7.214 -2.092 619 HE ARG 82 HE ARG 82 -15.229 -8.394 -3.640 620 1HH1 ARG 82 1HH1 ARG 82 -12.296 -10.348 -2.952 621 2HH1 ARG 82 2HH1 ARG 82 -12.942 -11.753 -3.692 622 1HH2 ARG 82 1HH2 ARG 82 -16.097 -10.377 -4.480 623 2HH2 ARG 82 2HH2 ARG 82 -15.153 -11.830 -4.321 624 H SER 83 H SER 83 -14.188 -4.476 -6.233 625 HA SER 83 HA SER 83 -16.740 -4.906 -7.295 626 1HB SER 83 2HB SER 83 -16.773 -2.386 -7.470 627 2HB SER 83 1HB SER 83 -16.370 -3.035 -5.846 628 HG SER 83 HG SER 83 -14.961 -1.356 -6.543 629 H GLY 84 H GLY 84 -13.662 -4.385 -8.776 630 1HA GLY 84 2HA GLY 84 -13.322 -4.709 -11.096 631 2HA GLY 84 1HA GLY 84 -14.959 -4.034 -11.414 632 H GLU 85 H GLU 85 -11.602 -3.292 -10.652 633 HA GLU 85 HA GLU 85 -12.037 -0.470 -11.124 634 1HB GLU 85 2HB GLU 85 -10.949 -1.624 -8.515 635 2HB GLU 85 1HB GLU 85 -10.610 0.061 -9.015 636 1HG GLU 85 2HG GLU 85 -13.503 -0.917 -8.730 637 2HG GLU 85 1HG GLU 85 -12.499 -0.519 -7.304 638 H THR 86 H THR 86 -9.414 0.327 -10.517 639 HA THR 86 HA THR 86 -8.038 -1.260 -12.589 640 HB THR 86 HB THR 86 -8.609 1.760 -12.578 641 HG1 THR 86 1HG THR 86 -10.030 1.349 -14.215 642 1HG2 THR 86 1HG2 THR 86 -6.597 0.923 -13.977 643 2HG2 THR 86 2HG2 THR 86 -7.928 1.497 -15.033 644 3HG2 THR 86 3HG2 THR 86 -7.698 -0.267 -14.770 645 H PHE 87 H PHE 87 -5.806 -1.259 -12.332 646 HA PHE 87 HA PHE 87 -4.273 -0.675 -10.499 647 1HB PHE 87 2HB PHE 87 -3.894 -1.546 -12.833 648 2HB PHE 87 1HB PHE 87 -3.762 0.105 -13.439 649 HD1 PHE 87 1HD PHE 87 -2.020 -0.207 -10.217 650 HD2 PHE 87 2HD PHE 87 -1.816 -1.016 -14.403 651 HE1 PHE 87 1HE PHE 87 0.364 -0.440 -10.052 652 HE2 PHE 87 2HE PHE 87 0.602 -1.301 -14.215 653 HZ PHE 87 HZ PHE 87 1.703 -1.049 -12.034 654 H TRP 88 H TRP 88 -3.565 1.797 -12.860 655 HA TRP 88 HA TRP 88 -2.319 3.289 -10.837 656 1HB TRP 88 2HB TRP 88 -3.052 4.006 -13.748 657 2HB TRP 88 1HB TRP 88 -1.851 4.861 -12.740 658 HD1 TRP 88 HD TRP 88 -1.892 2.627 -15.507 659 HE1 TRP 88 1HE TRP 88 0.508 1.846 -15.903 660 HE3 TRP 88 3HE TRP 88 -0.054 3.364 -10.831 661 HZ2 TRP 88 2HZ TRP 88 2.755 1.173 -14.281 662 HZ3 TRP 88 3HZ TRP 88 2.207 2.577 -10.311 663 HH2 TRP 88 HH TRP 88 3.584 1.505 -11.998 664 H ASP 89 H ASP 89 -5.381 3.336 -12.364 665 HA ASP 89 HA ASP 89 -6.090 6.038 -11.738 666 1HB ASP 89 2HB ASP 89 -7.459 3.613 -13.034 667 2HB ASP 89 1HB ASP 89 -8.326 5.180 -12.758 668 H LEU 90 H LEU 90 -6.985 2.822 -10.294 669 HA LEU 90 HA LEU 90 -8.693 4.126 -8.529 670 1HB LEU 90 2HB LEU 90 -9.296 2.372 -7.592 671 2HB LEU 90 1HB LEU 90 -8.716 1.562 -9.071 672 HG LEU 90 HG LEU 90 -7.238 1.706 -6.342 673 1HD1 LEU 90 1HD1 LEU 90 -8.201 -0.458 -5.786 674 2HD1 LEU 90 2HD1 LEU 90 -9.116 -0.500 -7.336 675 3HD1 LEU 90 3HD1 LEU 90 -9.518 0.734 -6.077 676 1HD2 LEU 90 1HD2 LEU 90 -5.714 0.939 -8.160 677 2HD2 LEU 90 2HD2 LEU 90 -6.935 -0.290 -8.682 678 3HD2 LEU 90 3HD2 LEU 90 -6.141 -0.430 -7.074 679 H LEU 91 H LEU 91 -5.459 2.995 -8.387 680 HA LEU 91 HA LEU 91 -4.618 3.790 -5.889 681 1HB LEU 91 2HB LEU 91 -3.265 2.481 -7.521 682 2HB LEU 91 1HB LEU 91 -3.034 3.953 -8.499 683 HG LEU 91 HG LEU 91 -1.784 5.006 -6.582 684 1HD1 LEU 91 1HD1 LEU 91 -2.079 2.230 -5.267 685 2HD1 LEU 91 2HD1 LEU 91 -2.766 3.783 -4.640 686 3HD1 LEU 91 3HD1 LEU 91 -0.985 3.539 -4.707 687 1HD2 LEU 91 1HD2 LEU 91 -0.740 2.248 -7.489 688 2HD2 LEU 91 2HD2 LEU 91 0.263 3.598 -6.841 689 3HD2 LEU 91 3HD2 LEU 91 -0.598 3.790 -8.416 690 H GLU 92 H GLU 92 -4.622 5.856 -8.813 691 HA GLU 92 HA GLU 92 -3.926 8.228 -7.583 692 1HB GLU 92 2HB GLU 92 -4.005 8.014 -9.997 693 2HB GLU 92 1HB GLU 92 -5.738 7.619 -9.964 694 1HG GLU 92 2HG GLU 92 -6.341 9.899 -9.235 695 2HG GLU 92 1HG GLU 92 -4.617 10.362 -9.071 696 H GLN 93 H GLN 93 -7.317 7.053 -8.178 697 HA GLN 93 HA GLN 93 -8.574 9.139 -6.967 698 1HB GLN 93 2HB GLN 93 -9.229 6.180 -7.312 699 2HB GLN 93 1HB GLN 93 -10.413 7.337 -6.634 700 1HG GLN 93 2HG GLN 93 -10.439 8.659 -8.724 701 2HG GLN 93 1HG GLN 93 -9.129 7.650 -9.424 702 1HE2 GLN 93 1HE2 GLN 93 -12.478 7.322 -8.002 703 2HE2 GLN 93 2HE2 GLN 93 -12.911 5.970 -8.995 704 H ALA 94 H ALA 94 -7.408 6.127 -5.486 705 HA ALA 94 HA ALA 94 -8.311 6.479 -2.908 706 1HB ALA 94 1HB ALA 94 -5.815 5.105 -4.078 707 2HB ALA 94 2HB ALA 94 -7.440 4.370 -3.861 708 3HB ALA 94 3HB ALA 94 -6.450 4.824 -2.420 709 H ALA 95 H ALA 95 -5.042 7.293 -4.243 710 HA ALA 95 HA ALA 95 -4.158 8.390 -1.829 711 1HB ALA 95 1HB ALA 95 -2.689 7.433 -3.605 712 2HB ALA 95 2HB ALA 95 -2.210 9.121 -3.199 713 3HB ALA 95 3HB ALA 95 -3.156 8.769 -4.704 714 H THR 96 H THR 96 -5.507 9.989 -4.750 715 HA THR 96 HA THR 96 -5.482 12.539 -3.752 716 HB THR 96 HB THR 96 -7.436 11.159 -5.627 717 HG1 THR 96 1HG THR 96 -5.323 12.994 -5.890 718 1HG2 THR 96 1HG2 THR 96 -7.137 14.182 -4.962 719 2HG2 THR 96 2HG2 THR 96 -8.622 13.181 -4.729 720 3HG2 THR 96 3HG2 THR 96 -8.022 13.515 -6.379 721 H GLN 97 H GLN 97 -8.008 10.051 -3.140 722 HA GLN 97 HA GLN 97 -9.546 12.002 -1.792 723 1HB GLN 97 2HB GLN 97 -11.131 10.452 -1.255 724 2HB GLN 97 1HB GLN 97 -10.537 10.075 -2.896 725 1HG GLN 97 2HG GLN 97 -9.135 8.212 -1.946 726 2HG GLN 97 1HG GLN 97 -9.837 8.478 -0.311 727 1HE2 GLN 97 1HE2 GLN 97 -12.519 8.877 -0.802 728 2HE2 GLN 97 2HE2 GLN 97 -13.182 7.427 -1.503 729 H GLN 98 H GLN 98 -6.916 9.997 -0.703 730 HA GLN 98 HA GLN 98 -7.378 10.587 2.054 731 1HB GLN 98 2HB GLN 98 -4.843 9.819 0.552 732 2HB GLN 98 1HB GLN 98 -4.965 9.894 2.325 733 1HG GLN 98 2HG GLN 98 -6.736 8.016 0.620 734 2HG GLN 98 1HG GLN 98 -5.066 7.607 1.107 735 1HE2 GLN 98 1HE2 GLN 98 -8.050 8.904 2.789 736 2HE2 GLN 98 2HE2 GLN 98 -7.982 7.687 4.037 737 H ALA 99 H ALA 99 -5.066 11.926 -0.364 738 HA ALA 99 HA ALA 99 -4.057 13.791 1.466 739 1HB ALA 99 1HB ALA 99 -3.819 13.479 -1.592 740 2HB ALA 99 2HB ALA 99 -2.734 12.769 -0.348 741 3HB ALA 99 3HB ALA 99 -2.769 14.543 -0.577 742 H GLY 100 H GLY 100 -6.393 14.171 -1.209 743 1HA GLY 100 2HA GLY 100 -7.578 15.967 -1.838 744 2HA GLY 100 1HA GLY 100 -6.793 16.962 -0.561 745 H GLU 101 H GLU 101 -5.436 15.021 -3.242 746 HA GLU 101 HA GLU 101 -4.359 17.334 -4.578 747 1HB GLU 101 2HB GLU 101 -2.899 17.019 -2.479 748 2HB GLU 101 1HB GLU 101 -2.606 15.357 -2.980 749 1HG GLU 101 2HG GLU 101 -0.662 16.514 -3.584 750 2HG GLU 101 1HG GLU 101 -1.498 16.362 -5.156 751 H THR 102 H THR 102 -3.350 16.571 -6.697 752 HA THR 102 HA THR 102 -4.134 13.861 -7.330 753 HB THR 102 HB THR 102 -2.575 15.731 -9.078 754 HG1 THR 102 1HG THR 102 -5.242 14.793 -9.127 755 1HG2 THR 102 1HG2 THR 102 -2.107 13.329 -9.665 756 2HG2 THR 102 2HG2 THR 102 -3.298 13.985 -10.824 757 3HG2 THR 102 3HG2 THR 102 -3.850 12.923 -9.493 758 H VAL 103 H VAL 103 -3.047 12.515 -6.003 759 HA VAL 103 HA VAL 103 -0.122 12.506 -6.077 760 HB VAL 103 HB VAL 103 -2.142 11.037 -4.388 761 1HG1 VAL 103 1HG1 VAL 103 0.927 11.391 -4.083 762 2HG1 VAL 103 2HG1 VAL 103 0.055 9.844 -4.457 763 3HG1 VAL 103 3HG1 VAL 103 -0.149 10.627 -2.858 764 1HG2 VAL 103 1HG2 VAL 103 -1.387 12.650 -2.539 765 2HG2 VAL 103 2HG2 VAL 103 -2.316 13.438 -3.855 766 3HG2 VAL 103 3HG2 VAL 103 -0.515 13.605 -3.785 767 H SER 104 H SER 104 0.181 11.576 -8.066 768 HA SER 104 HA SER 104 -0.650 8.811 -8.305 769 1HB SER 104 2HB SER 104 -1.848 8.916 -10.344 770 2HB SER 104 1HB SER 104 -2.544 10.065 -9.175 771 HG SER 104 HG SER 104 -2.434 10.920 -11.166 772 H PHE 105 H PHE 105 0.074 7.890 -10.596 773 HA PHE 105 HA PHE 105 2.893 8.669 -10.840 774 1HB PHE 105 2HB PHE 105 3.003 6.561 -9.950 775 2HB PHE 105 1HB PHE 105 1.470 6.041 -10.666 776 HD1 PHE 105 1HD PHE 105 1.339 5.466 -13.023 777 HD2 PHE 105 2HD PHE 105 5.033 5.901 -11.008 778 HE1 PHE 105 1HE PHE 105 2.471 4.321 -14.878 779 HE2 PHE 105 2HE PHE 105 6.183 4.778 -12.856 780 HZ PHE 105 HZ PHE 105 4.906 3.969 -14.787 781 H ARG 106 H ARG 106 -0.136 7.988 -12.687 782 HA ARG 106 HA ARG 106 1.422 8.353 -15.125 783 1HB ARG 106 2HB ARG 106 0.502 6.118 -14.794 784 2HB ARG 106 1HB ARG 106 -1.120 6.800 -14.421 785 1HG ARG 106 2HG ARG 106 -1.368 7.601 -16.666 786 2HG ARG 106 1HG ARG 106 0.349 7.269 -17.081 787 1HD ARG 106 2HD ARG 106 -0.791 5.521 -18.160 788 2HD ARG 106 1HD ARG 106 -0.204 4.731 -16.639 789 HE ARG 106 HE ARG 106 -2.806 5.792 -16.062 790 1HH1 ARG 106 1HH1 ARG 106 -1.471 3.271 -18.238 791 2HH1 ARG 106 2HH1 ARG 106 -3.074 2.757 -18.684 792 1HH2 ARG 106 1HH2 ARG 106 -4.820 4.679 -16.436 793 2HH2 ARG 106 2HH2 ARG 106 -4.865 3.513 -17.732 Start of MODEL 20 1 HA MET 1 HA MET 1 0.900 -18.854 -12.592 2 1HB MET 1 2HB MET 1 2.717 -16.537 -13.475 3 2HB MET 1 1HB MET 1 2.792 -18.178 -14.167 4 1HG MET 1 2HG MET 1 1.564 -17.016 -15.707 5 2HG MET 1 1HG MET 1 0.365 -17.997 -14.830 6 1HE MET 1 1HE MET 1 -1.634 -14.935 -16.042 7 2HE MET 1 2HE MET 1 -1.468 -16.722 -15.974 8 3HE MET 1 3HE MET 1 -0.250 -15.739 -16.859 9 H ASN 2 H ASN 2 3.672 -16.903 -11.259 10 HA ASN 2 HA ASN 2 4.466 -19.194 -9.769 11 1HB ASN 2 2HB ASN 2 6.769 -19.356 -10.691 12 2HB ASN 2 1HB ASN 2 5.521 -19.853 -11.872 13 1HD2 ASN 2 1HD2 ASN 2 4.968 -18.318 -13.629 14 2HD2 ASN 2 2HD2 ASN 2 6.059 -17.038 -14.065 15 H ASP 3 H ASP 3 6.104 -18.730 -8.181 16 HA ASP 3 HA ASP 3 5.717 -16.203 -7.122 17 1HB ASP 3 2HB ASP 3 7.445 -17.087 -5.387 18 2HB ASP 3 1HB ASP 3 5.853 -17.893 -5.562 19 H SER 4 H SER 4 8.414 -17.410 -9.066 20 HA SER 4 HA SER 4 10.107 -15.282 -8.497 21 1HB SER 4 2HB SER 4 10.757 -17.406 -9.677 22 2HB SER 4 1HB SER 4 9.966 -16.777 -11.153 23 HG SER 4 HG SER 4 11.953 -16.067 -11.373 24 H GLU 5 H GLU 5 7.833 -15.600 -11.293 25 HA GLU 5 HA GLU 5 8.303 -12.986 -12.150 26 1HB GLU 5 2HB GLU 5 5.955 -14.845 -12.672 27 2HB GLU 5 1HB GLU 5 6.143 -13.220 -13.413 28 1HG GLU 5 2HG GLU 5 8.422 -13.939 -14.315 29 2HG GLU 5 1HG GLU 5 8.046 -15.615 -13.776 30 H PHE 6 H PHE 6 5.678 -14.211 -9.982 31 HA PHE 6 HA PHE 6 4.423 -11.948 -9.419 32 1HB PHE 6 2HB PHE 6 4.051 -14.285 -8.477 33 2HB PHE 6 1HB PHE 6 5.475 -14.046 -7.417 34 HD1 PHE 6 1HD PHE 6 2.662 -11.700 -8.257 35 HD2 PHE 6 2HD PHE 6 4.548 -14.127 -5.314 36 HE1 PHE 6 1HE PHE 6 1.016 -11.004 -6.637 37 HE2 PHE 6 2HE PHE 6 2.905 -13.390 -3.660 38 HZ PHE 6 HZ PHE 6 1.092 -11.842 -4.334 39 H HIS 7 H HIS 7 7.467 -12.927 -7.732 40 HA HIS 7 HA HIS 7 7.501 -10.495 -6.327 41 1HB HIS 7 2HB HIS 7 9.516 -11.125 -5.343 42 2HB HIS 7 1HB HIS 7 8.508 -12.579 -5.502 43 HD1 HIS 7 1HD HIS 7 10.108 -14.418 -5.726 44 HD2 HIS 7 2HD HIS 7 11.363 -11.145 -8.042 45 HE1 HIS 7 1HE HIS 7 12.245 -15.084 -6.860 46 H ARG 8 H ARG 8 8.867 -11.343 -9.454 47 HA ARG 8 HA ARG 8 10.657 -9.201 -9.635 48 1HB ARG 8 2HB ARG 8 10.546 -11.418 -10.910 49 2HB ARG 8 1HB ARG 8 9.240 -10.719 -11.894 50 1HG ARG 8 2HG ARG 8 10.871 -8.897 -12.636 51 2HG ARG 8 1HG ARG 8 12.132 -9.672 -11.619 52 1HD ARG 8 2HD ARG 8 11.870 -11.813 -13.015 53 2HD ARG 8 1HD ARG 8 10.718 -10.925 -14.060 54 HE ARG 8 HE ARG 8 12.461 -9.440 -14.783 55 1HH1 ARG 8 1HH1 ARG 8 13.815 -12.028 -12.641 56 2HH1 ARG 8 2HH1 ARG 8 15.394 -11.852 -13.365 57 1HH2 ARG 8 1HH2 ARG 8 14.759 -9.031 -15.223 58 2HH2 ARG 8 2HH2 ARG 8 15.879 -10.276 -14.733 59 H LEU 9 H LEU 9 7.354 -9.660 -10.927 60 HA LEU 9 HA LEU 9 7.031 -7.092 -11.972 61 1HB LEU 9 2HB LEU 9 5.090 -9.241 -10.960 62 2HB LEU 9 1HB LEU 9 4.552 -7.764 -11.803 63 HG LEU 9 HG LEU 9 6.430 -9.862 -13.022 64 1HD1 LEU 9 1HD1 LEU 9 4.438 -10.631 -14.293 65 2HD1 LEU 9 2HD1 LEU 9 3.397 -9.452 -13.404 66 3HD1 LEU 9 3HD1 LEU 9 4.184 -10.811 -12.516 67 1HD2 LEU 9 1HD2 LEU 9 5.843 -8.762 -15.190 68 2HD2 LEU 9 2HD2 LEU 9 6.681 -7.613 -14.091 69 3HD2 LEU 9 3HD2 LEU 9 4.891 -7.509 -14.309 70 H ALA 10 H ALA 10 6.345 -8.476 -8.749 71 HA ALA 10 HA ALA 10 5.137 -6.263 -7.662 72 1HB ALA 10 1HB ALA 10 5.238 -8.473 -6.523 73 2HB ALA 10 2HB ALA 10 5.872 -7.179 -5.455 74 3HB ALA 10 3HB ALA 10 7.014 -8.290 -6.301 75 H ASP 11 H ASP 11 8.611 -7.016 -7.799 76 HA ASP 11 HA ASP 11 9.551 -4.783 -6.524 77 1HB ASP 11 2HB ASP 11 10.531 -7.096 -7.822 78 2HB ASP 11 1HB ASP 11 11.234 -5.791 -8.807 79 H GLN 12 H GLN 12 8.796 -5.201 -9.966 80 HA GLN 12 HA GLN 12 9.619 -2.710 -10.871 81 1HB GLN 12 2HB GLN 12 7.243 -4.415 -11.752 82 2HB GLN 12 1HB GLN 12 7.810 -2.993 -12.645 83 1HG GLN 12 2HG GLN 12 9.735 -5.330 -12.139 84 2HG GLN 12 1HG GLN 12 8.438 -5.459 -13.357 85 1HE2 GLN 12 1HE2 GLN 12 11.578 -4.123 -12.721 86 2HE2 GLN 12 2HE2 GLN 12 11.746 -3.272 -14.228 87 H LEU 13 H LEU 13 6.181 -3.602 -9.980 88 HA LEU 13 HA LEU 13 5.444 -0.954 -10.282 89 1HB LEU 13 2HB LEU 13 3.291 -1.675 -9.540 90 2HB LEU 13 1HB LEU 13 3.981 -2.707 -10.832 91 HG LEU 13 HG LEU 13 4.625 -4.234 -8.643 92 1HD1 LEU 13 1HD1 LEU 13 2.590 -4.235 -7.123 93 2HD1 LEU 13 2HD1 LEU 13 1.998 -2.746 -7.930 94 3HD1 LEU 13 3HD1 LEU 13 3.522 -2.699 -6.968 95 1HD2 LEU 13 1HD2 LEU 13 2.558 -5.543 -9.226 96 2HD2 LEU 13 2HD2 LEU 13 3.413 -4.953 -10.691 97 3HD2 LEU 13 3HD2 LEU 13 1.915 -4.120 -10.124 98 H TRP 14 H TRP 14 6.144 -2.786 -7.327 99 HA TRP 14 HA TRP 14 5.478 -0.822 -5.497 100 1HB TRP 14 2HB TRP 14 7.622 -3.008 -5.529 101 2HB TRP 14 1HB TRP 14 7.562 -1.866 -4.186 102 HD1 TRP 14 HD TRP 14 4.129 -1.932 -4.114 103 HE1 TRP 14 1HE TRP 14 3.383 -3.634 -2.368 104 HE3 TRP 14 3HE TRP 14 8.301 -4.815 -3.991 105 HZ2 TRP 14 2HZ TRP 14 4.396 -5.973 -1.156 106 HZ3 TRP 14 3HZ TRP 14 8.388 -6.695 -2.432 107 HH2 TRP 14 HH TRP 14 6.468 -7.277 -1.048 108 H LEU 15 H LEU 15 8.663 -1.204 -7.154 109 HA LEU 15 HA LEU 15 9.726 1.059 -5.903 110 1HB LEU 15 2HB LEU 15 11.106 -0.653 -6.983 111 2HB LEU 15 1HB LEU 15 10.409 -0.258 -8.579 112 HG LEU 15 HG LEU 15 11.410 1.984 -8.514 113 1HD1 LEU 15 1HD1 LEU 15 11.446 2.524 -6.084 114 2HD1 LEU 15 2HD1 LEU 15 13.134 2.564 -6.702 115 3HD1 LEU 15 3HD1 LEU 15 12.551 1.143 -5.765 116 1HD2 LEU 15 1HD2 LEU 15 13.802 1.294 -8.740 117 2HD2 LEU 15 2HD2 LEU 15 12.703 0.049 -9.440 118 3HD2 LEU 15 3HD2 LEU 15 13.464 -0.219 -7.829 119 H THR 16 H THR 16 7.956 0.711 -8.942 120 HA THR 16 HA THR 16 8.090 3.292 -9.854 121 HB THR 16 HB THR 16 5.612 1.558 -10.039 122 HG1 THR 16 1HG THR 16 7.461 0.477 -10.775 123 1HG2 THR 16 1HG2 THR 16 5.278 3.937 -10.839 124 2HG2 THR 16 2HG2 THR 16 5.379 2.801 -12.224 125 3HG2 THR 16 3HG2 THR 16 6.798 3.815 -11.803 126 H ILE 17 H ILE 17 5.590 2.094 -7.527 127 HA ILE 17 HA ILE 17 4.442 4.645 -7.330 128 HB ILE 17 HB ILE 17 4.294 2.559 -5.149 129 1HG1 ILE 17 2HG1 ILE 17 2.405 2.869 -7.544 130 2HG1 ILE 17 1HG1 ILE 17 3.681 1.616 -7.500 131 1HG2 ILE 17 1HG2 ILE 17 2.384 4.779 -6.168 132 2HG2 ILE 17 2HG2 ILE 17 3.432 4.953 -4.722 133 3HG2 ILE 17 3HG2 ILE 17 2.126 3.730 -4.731 134 1HD1 ILE 17 1HD1 ILE 17 1.605 0.591 -6.767 135 2HD1 ILE 17 2HD1 ILE 17 1.346 1.853 -5.506 136 3HD1 ILE 17 3HD1 ILE 17 2.718 0.692 -5.360 137 H GLU 18 H GLU 18 6.808 2.955 -5.256 138 HA GLU 18 HA GLU 18 7.065 4.834 -3.293 139 1HB GLU 18 2HB GLU 18 8.075 2.636 -3.136 140 2HB GLU 18 1HB GLU 18 9.191 3.003 -4.468 141 1HG GLU 18 2HG GLU 18 10.346 4.750 -3.171 142 2HG GLU 18 1HG GLU 18 9.173 4.584 -1.822 143 H GLU 19 H GLU 19 9.038 4.484 -6.230 144 HA GLU 19 HA GLU 19 10.612 6.720 -5.941 145 1HB GLU 19 2HB GLU 19 11.049 4.825 -7.509 146 2HB GLU 19 1HB GLU 19 9.722 5.417 -8.547 147 1HG GLU 19 2HG GLU 19 11.027 7.643 -8.786 148 2HG GLU 19 1HG GLU 19 12.370 6.875 -7.872 149 H ARG 20 H ARG 20 7.523 6.502 -7.855 150 HA ARG 20 HA ARG 20 7.784 9.085 -8.768 151 1HB ARG 20 2HB ARG 20 6.067 7.473 -9.736 152 2HB ARG 20 1HB ARG 20 5.145 7.660 -8.245 153 1HG ARG 20 2HG ARG 20 4.192 8.992 -9.980 154 2HG ARG 20 1HG ARG 20 4.786 10.096 -8.737 155 1HD ARG 20 2HD ARG 20 6.352 9.455 -11.335 156 2HD ARG 20 1HD ARG 20 5.081 10.740 -11.226 157 HE ARG 20 HE ARG 20 6.937 11.117 -9.061 158 1HH1 ARG 20 1HH1 ARG 20 6.703 11.649 -12.619 159 2HH1 ARG 20 2HH1 ARG 20 8.128 12.556 -12.688 160 1HH2 ARG 20 1HH2 ARG 20 8.730 12.664 -9.232 161 2HH2 ARG 20 2HH2 ARG 20 9.231 13.150 -10.796 162 H LEU 21 H LEU 21 6.076 7.922 -5.824 163 HA LEU 21 HA LEU 21 5.400 10.568 -5.075 164 1HB LEU 21 2HB LEU 21 5.369 7.942 -3.555 165 2HB LEU 21 1HB LEU 21 4.794 9.490 -2.860 166 HG LEU 21 HG LEU 21 3.691 8.205 -5.423 167 1HD1 LEU 21 1HD1 LEU 21 2.492 8.291 -2.588 168 2HD1 LEU 21 2HD1 LEU 21 3.154 6.833 -3.426 169 3HD1 LEU 21 3HD1 LEU 21 1.684 7.650 -4.069 170 1HD2 LEU 21 1HD2 LEU 21 3.357 10.674 -5.453 171 2HD2 LEU 21 2HD2 LEU 21 2.689 10.617 -3.773 172 3HD2 LEU 21 3HD2 LEU 21 1.809 9.829 -5.140 173 H ASP 22 H ASP 22 8.180 8.504 -4.072 174 HA ASP 22 HA ASP 22 9.130 10.281 -2.198 175 1HB ASP 22 2HB ASP 22 9.832 7.914 -2.499 176 2HB ASP 22 1HB ASP 22 10.657 8.355 -4.029 177 H ASP 23 H ASP 23 9.604 10.292 -5.746 178 HA ASP 23 HA ASP 23 11.019 12.843 -5.449 179 1HB ASP 23 2HB ASP 23 11.919 10.746 -6.758 180 2HB ASP 23 1HB ASP 23 10.662 11.176 -7.971 181 H TRP 24 H TRP 24 8.101 12.492 -5.051 182 HA TRP 24 HA TRP 24 7.061 14.092 -7.221 183 1HB TRP 24 2HB TRP 24 5.523 12.546 -6.168 184 2HB TRP 24 1HB TRP 24 5.845 13.245 -4.557 185 HD1 TRP 24 HD TRP 24 3.674 14.377 -3.826 186 HE1 TRP 24 1HE TRP 24 1.992 16.030 -4.878 187 HE3 TRP 24 3HE TRP 24 5.581 14.598 -8.551 188 HZ2 TRP 24 2HZ TRP 24 1.648 17.353 -7.321 189 HZ3 TRP 24 3HZ TRP 24 4.589 16.134 -10.141 190 HH2 TRP 24 HH TRP 24 2.647 17.492 -9.553 191 H ASP 25 H ASP 25 7.460 14.650 -3.710 192 HA ASP 25 HA ASP 25 8.123 16.354 -2.568 193 1HB ASP 25 2HB ASP 25 10.103 16.094 -4.000 194 2HB ASP 25 1HB ASP 25 9.458 17.295 -5.157 195 H GLY 26 H GLY 26 8.089 18.916 -4.836 196 1HA GLY 26 2HA GLY 26 6.558 20.438 -5.373 197 2HA GLY 26 1HA GLY 26 5.283 19.307 -4.814 198 H ASP 27 H ASP 27 4.046 20.054 -3.217 199 HA ASP 27 HA ASP 27 5.158 21.989 -1.340 200 1HB ASP 27 2HB ASP 27 2.600 21.640 -2.758 201 2HB ASP 27 1HB ASP 27 2.293 21.573 -1.002 202 H SER 28 H SER 28 4.345 18.730 -1.781 203 HA SER 28 HA SER 28 3.396 18.218 0.842 204 1HB SER 28 2HB SER 28 3.029 15.977 0.108 205 2HB SER 28 1HB SER 28 2.584 17.069 -1.227 206 HG SER 28 HG SER 28 4.716 16.602 -2.106 207 H ASP 29 H ASP 29 4.168 16.199 2.051 208 HA ASP 29 HA ASP 29 6.971 15.675 1.687 209 1HB ASP 29 2HB ASP 29 6.396 17.201 3.798 210 2HB ASP 29 1HB ASP 29 5.752 15.681 4.510 211 H ILE 30 H ILE 30 7.439 13.425 2.390 212 HA ILE 30 HA ILE 30 5.263 11.638 2.104 213 HB ILE 30 HB ILE 30 6.563 10.853 -0.161 214 1HG1 ILE 30 2HG1 ILE 30 6.492 12.776 -1.696 215 2HG1 ILE 30 1HG1 ILE 30 6.347 13.917 -0.358 216 1HG2 ILE 30 1HG2 ILE 30 4.107 12.668 0.081 217 2HG2 ILE 30 2HG2 ILE 30 4.137 10.880 0.331 218 3HG2 ILE 30 3HG2 ILE 30 4.517 11.578 -1.289 219 1HD1 ILE 30 1HD1 ILE 30 8.694 13.762 -1.275 220 2HD1 ILE 30 2HD1 ILE 30 8.743 12.013 -0.857 221 3HD1 ILE 30 3HD1 ILE 30 8.659 13.250 0.448 222 H ASP 31 H ASP 31 5.834 10.136 3.355 223 HA ASP 31 HA ASP 31 8.582 9.047 3.227 224 1HB ASP 31 2HB ASP 31 6.651 9.348 5.587 225 2HB ASP 31 1HB ASP 31 8.033 8.187 5.620 226 H CYS 32 H CYS 32 8.396 7.346 1.833 227 HA CYS 32 HA CYS 32 6.326 5.365 2.364 228 1HB CYS 32 2HB CYS 32 6.985 5.720 -0.013 229 2HB CYS 32 1HB CYS 32 8.661 5.606 0.486 230 HG CYS 32 HG CYS 32 8.781 3.306 -0.220 231 H GLU 33 H GLU 33 6.640 3.466 3.471 232 HA GLU 33 HA GLU 33 9.235 3.174 4.837 233 1HB GLU 33 2HB GLU 33 6.560 2.091 5.822 234 2HB GLU 33 1HB GLU 33 8.152 1.990 6.620 235 1HG GLU 33 2HG GLU 33 8.123 4.467 7.009 236 2HG GLU 33 1HG GLU 33 6.501 4.556 6.229 237 H ILE 34 H ILE 34 10.277 1.185 4.633 238 HA ILE 34 HA ILE 34 8.867 -0.888 3.191 239 HB ILE 34 HB ILE 34 10.504 -0.147 1.789 240 1HG1 ILE 34 2HG1 ILE 34 12.171 -1.986 1.711 241 2HG1 ILE 34 1HG1 ILE 34 11.703 -2.466 3.373 242 1HG2 ILE 34 1HG2 ILE 34 11.824 1.332 3.232 243 2HG2 ILE 34 2HG2 ILE 34 12.905 0.157 2.431 244 3HG2 ILE 34 3HG2 ILE 34 12.474 -0.067 4.166 245 1HD1 ILE 34 1HD1 ILE 34 10.650 -3.940 1.603 246 2HD1 ILE 34 2HD1 ILE 34 9.860 -2.500 0.867 247 3HD1 ILE 34 3HD1 ILE 34 9.374 -3.062 2.507 248 H ASN 35 H ASN 35 8.115 -2.061 4.549 249 HA ASN 35 HA ASN 35 9.680 -3.015 6.880 250 1HB ASN 35 2HB ASN 35 6.632 -2.835 6.553 251 2HB ASN 35 1HB ASN 35 7.506 -3.455 8.003 252 1HD2 ASN 35 1HD2 ASN 35 5.920 -0.768 6.879 253 2HD2 ASN 35 2HD2 ASN 35 6.749 0.468 7.775 254 H GLY 36 H GLY 36 10.686 -4.448 5.255 255 1HA GLY 36 2HA GLY 36 11.047 -6.567 4.763 256 2HA GLY 36 1HA GLY 36 9.511 -7.004 5.566 257 H GLY 37 H GLY 37 7.661 -7.237 4.348 258 1HA GLY 37 2HA GLY 37 7.945 -7.012 1.415 259 2HA GLY 37 1HA GLY 37 7.042 -8.309 2.279 260 H VAL 38 H VAL 38 6.927 -5.185 3.687 261 HA VAL 38 HA VAL 38 4.303 -4.636 2.476 262 HB VAL 38 HB VAL 38 5.271 -3.987 5.280 263 1HG1 VAL 38 1HG1 VAL 38 2.861 -3.387 5.638 264 2HG1 VAL 38 2HG1 VAL 38 2.501 -3.749 3.905 265 3HG1 VAL 38 3HG1 VAL 38 3.579 -2.373 4.343 266 1HG2 VAL 38 1HG2 VAL 38 3.705 -5.718 6.069 267 2HG2 VAL 38 2HG2 VAL 38 4.945 -6.467 5.024 268 3HG2 VAL 38 3HG2 VAL 38 3.287 -6.171 4.375 269 H LEU 39 H LEU 39 4.326 -2.719 1.287 270 HA LEU 39 HA LEU 39 6.122 -0.626 2.272 271 1HB LEU 39 2HB LEU 39 5.070 -1.297 -0.476 272 2HB LEU 39 1HB LEU 39 5.630 0.357 -0.144 273 HG LEU 39 HG LEU 39 7.453 -2.018 0.506 274 1HD1 LEU 39 1HD1 LEU 39 7.196 -0.603 -2.216 275 2HD1 LEU 39 2HD1 LEU 39 6.760 -2.328 -1.847 276 3HD1 LEU 39 3HD1 LEU 39 8.487 -1.784 -1.764 277 1HD2 LEU 39 1HD2 LEU 39 8.087 0.850 -0.450 278 2HD2 LEU 39 2HD2 LEU 39 9.269 -0.377 0.091 279 3HD2 LEU 39 3HD2 LEU 39 8.113 0.339 1.284 280 H THR 40 H THR 40 5.203 1.040 3.126 281 HA THR 40 HA THR 40 2.372 1.558 2.547 282 HB THR 40 HB THR 40 2.332 2.585 4.859 283 HG1 THR 40 1HG THR 40 4.642 2.554 5.052 284 1HG2 THR 40 1HG2 THR 40 1.324 0.305 4.407 285 2HG2 THR 40 2HG2 THR 40 2.008 0.423 6.075 286 3HG2 THR 40 3HG2 THR 40 2.919 -0.456 4.792 287 H ILE 41 H ILE 41 2.024 3.564 1.749 288 HA ILE 41 HA ILE 41 4.349 5.373 1.860 289 HB ILE 41 HB ILE 41 2.139 5.445 -0.175 290 1HG1 ILE 41 2HG1 ILE 41 4.952 4.202 -0.216 291 2HG1 ILE 41 1HG1 ILE 41 3.401 3.319 -0.346 292 1HG2 ILE 41 1HG2 ILE 41 3.857 6.975 -1.277 293 2HG2 ILE 41 2HG2 ILE 41 4.894 6.834 0.171 294 3HG2 ILE 41 3HG2 ILE 41 3.281 7.633 0.282 295 1HD1 ILE 41 1HD1 ILE 41 4.570 5.263 -2.429 296 2HD1 ILE 41 2HD1 ILE 41 2.904 4.565 -2.500 297 3HD1 ILE 41 3HD1 ILE 41 4.340 3.485 -2.572 298 H THR 42 H THR 42 4.229 7.112 3.040 299 HA THR 42 HA THR 42 1.556 7.876 4.009 300 HB THR 42 HB THR 42 2.371 8.517 6.097 301 HG1 THR 42 1HG THR 42 4.889 7.760 5.066 302 1HG2 THR 42 1HG2 THR 42 3.487 5.723 5.361 303 2HG2 THR 42 2HG2 THR 42 1.758 6.092 5.745 304 3HG2 THR 42 3HG2 THR 42 3.033 6.317 6.995 305 H PHE 43 H PHE 43 0.837 9.882 3.735 306 HA PHE 43 HA PHE 43 2.808 11.953 3.151 307 1HB PHE 43 2HB PHE 43 1.094 13.020 1.641 308 2HB PHE 43 1HB PHE 43 1.836 11.512 1.052 309 HD1 PHE 43 1HD PHE 43 -1.244 13.066 2.175 310 HD2 PHE 43 2HD PHE 43 0.595 9.457 0.913 311 HE1 PHE 43 1HE PHE 43 -3.449 12.103 1.718 312 HE2 PHE 43 2HE PHE 43 -1.604 8.497 0.431 313 HZ PHE 43 HZ PHE 43 -3.633 9.829 0.795 314 H GLU 44 H GLU 44 1.806 14.234 3.518 315 HA GLU 44 HA GLU 44 1.633 14.572 6.085 316 1HB GLU 44 2HB GLU 44 0.763 16.145 3.655 317 2HB GLU 44 1HB GLU 44 0.604 16.885 5.266 318 1HG GLU 44 2HG GLU 44 3.277 15.632 4.343 319 2HG GLU 44 1HG GLU 44 2.803 17.309 3.949 320 H ASN 45 H ASN 45 -1.313 14.028 4.136 321 HA ASN 45 HA ASN 45 -3.081 14.990 6.060 322 1HB ASN 45 2HB ASN 45 -3.408 12.697 4.022 323 2HB ASN 45 1HB ASN 45 -4.765 13.461 4.928 324 1HD2 ASN 45 1HD2 ASN 45 -5.847 15.001 3.841 325 2HD2 ASN 45 2HD2 ASN 45 -5.232 15.847 2.450 326 H GLY 46 H GLY 46 -1.169 12.077 6.205 327 1HA GLY 46 2HA GLY 46 -1.024 10.684 7.953 328 2HA GLY 46 1HA GLY 46 -2.508 11.380 8.667 329 H SER 47 H SER 47 -3.194 10.721 5.570 330 HA SER 47 HA SER 47 -4.297 8.051 6.052 331 1HB SER 47 2HB SER 47 -4.583 10.005 3.688 332 2HB SER 47 1HB SER 47 -5.240 8.331 3.726 333 HG SER 47 HG SER 47 -6.191 10.591 4.974 334 H LYS 48 H LYS 48 -3.769 6.331 4.368 335 HA LYS 48 HA LYS 48 -1.186 6.766 3.143 336 1HB LYS 48 2HB LYS 48 -0.059 5.094 4.568 337 2HB LYS 48 1HB LYS 48 -0.657 6.480 5.509 338 1HG LYS 48 2HG LYS 48 -2.829 4.877 5.866 339 2HG LYS 48 1HG LYS 48 -1.645 3.619 5.440 340 1HD LYS 48 2HD LYS 48 -1.620 3.746 7.810 341 2HD LYS 48 1HD LYS 48 -0.138 4.634 7.326 342 1HE LYS 48 2HE LYS 48 -1.383 6.818 7.631 343 2HE LYS 48 1HE LYS 48 -2.875 5.900 8.079 344 1HZ LYS 48 1HZ LYS 48 -1.661 4.996 9.979 345 2HZ LYS 48 2HZ LYS 48 -1.683 6.682 10.006 346 3HZ LYS 48 3HZ LYS 48 -0.278 5.881 9.537 347 H ILE 49 H ILE 49 -0.326 4.962 2.038 348 HA ILE 49 HA ILE 49 -2.438 3.233 0.964 349 HB ILE 49 HB ILE 49 0.378 3.493 -0.107 350 1HG1 ILE 49 2HG1 ILE 49 -0.328 5.760 -0.029 351 2HG1 ILE 49 1HG1 ILE 49 -0.324 5.154 -1.700 352 1HG2 ILE 49 1HG2 ILE 49 -0.785 2.820 -2.226 353 2HG2 ILE 49 2HG2 ILE 49 -2.343 2.692 -1.337 354 3HG2 ILE 49 3HG2 ILE 49 -0.977 1.586 -0.941 355 1HD1 ILE 49 1HD1 ILE 49 -2.878 5.570 -0.005 356 2HD1 ILE 49 2HD1 ILE 49 -2.828 4.933 -1.691 357 3HD1 ILE 49 3HD1 ILE 49 -2.296 6.611 -1.343 358 H ILE 50 H ILE 50 -2.280 0.996 1.266 359 HA ILE 50 HA ILE 50 0.058 0.023 2.764 360 HB ILE 50 HB ILE 50 -2.728 -1.049 2.875 361 1HG1 ILE 50 2HG1 ILE 50 -2.800 1.299 3.791 362 2HG1 ILE 50 1HG1 ILE 50 -3.288 -0.043 4.842 363 1HG2 ILE 50 1HG2 ILE 50 -1.930 -2.116 4.989 364 2HG2 ILE 50 2HG2 ILE 50 -0.257 -1.523 4.650 365 3HG2 ILE 50 3HG2 ILE 50 -1.063 -2.698 3.530 366 1HD1 ILE 50 1HD1 ILE 50 -1.050 0.082 6.051 367 2HD1 ILE 50 2HD1 ILE 50 -1.963 1.613 6.128 368 3HD1 ILE 50 3HD1 ILE 50 -0.581 1.462 4.980 369 H ILE 51 H ILE 51 1.171 -1.309 1.428 370 HA ILE 51 HA ILE 51 -0.396 -3.190 -0.199 371 HB ILE 51 HB ILE 51 2.281 -2.100 -1.029 372 1HG1 ILE 51 2HG1 ILE 51 -0.561 -1.073 -1.426 373 2HG1 ILE 51 1HG1 ILE 51 0.845 -0.187 -0.867 374 1HG2 ILE 51 1HG2 ILE 51 1.479 -4.356 -1.977 375 2HG2 ILE 51 2HG2 ILE 51 1.513 -3.074 -3.224 376 3HG2 ILE 51 3HG2 ILE 51 -0.049 -3.546 -2.478 377 1HD1 ILE 51 1HD1 ILE 51 0.380 -1.270 -3.727 378 2HD1 ILE 51 2HD1 ILE 51 1.921 -0.501 -3.192 379 3HD1 ILE 51 3HD1 ILE 51 0.389 0.463 -3.216 380 H ASN 52 H ASN 52 -0.060 -5.221 0.017 381 HA ASN 52 HA ASN 52 2.479 -6.322 0.632 382 1HB ASN 52 2HB ASN 52 1.666 -5.995 2.935 383 2HB ASN 52 1HB ASN 52 0.080 -6.756 2.511 384 1HD2 ASN 52 1HD2 ASN 52 3.667 -7.555 2.402 385 2HD2 ASN 52 2HD2 ASN 52 3.424 -9.199 2.904 386 H ARG 53 H ARG 53 2.340 -8.703 0.372 387 HA ARG 53 HA ARG 53 0.277 -9.476 -1.541 388 1HB ARG 53 2HB ARG 53 2.260 -10.510 -2.772 389 2HB ARG 53 1HB ARG 53 2.037 -8.710 -2.809 390 1HG ARG 53 2HG ARG 53 4.344 -9.233 -2.750 391 2HG ARG 53 1HG ARG 53 3.917 -8.401 -1.239 392 1HD ARG 53 2HD ARG 53 4.125 -10.497 0.044 393 2HD ARG 53 1HD ARG 53 4.323 -11.463 -1.476 394 HE ARG 53 HE ARG 53 6.360 -9.905 -1.913 395 1HH1 ARG 53 1HH1 ARG 53 5.509 -10.950 1.473 396 2HH1 ARG 53 2HH1 ARG 53 7.180 -10.893 1.911 397 1HH2 ARG 53 1HH2 ARG 53 8.512 -10.053 -1.180 398 2HH2 ARG 53 2HH2 ARG 53 8.784 -10.770 0.369 399 H GLN 54 H GLN 54 -0.308 -11.737 -1.535 400 HA GLN 54 HA GLN 54 0.928 -13.298 0.588 401 1HB GLN 54 2HB GLN 54 -0.552 -12.205 1.964 402 2HB GLN 54 1HB GLN 54 -1.619 -11.728 0.628 403 1HG GLN 54 2HG GLN 54 -2.613 -13.865 0.439 404 2HG GLN 54 1HG GLN 54 -1.584 -14.609 1.744 405 1HE2 GLN 54 1HE2 GLN 54 -2.017 -14.048 3.982 406 2HE2 GLN 54 2HE2 GLN 54 -3.466 -13.204 4.433 407 H GLU 55 H GLU 55 -1.406 -13.038 -2.130 408 HA GLU 55 HA GLU 55 -2.220 -15.639 -1.876 409 1HB GLU 55 2HB GLU 55 -2.466 -13.435 -3.919 410 2HB GLU 55 1HB GLU 55 -3.171 -15.025 -4.302 411 1HG GLU 55 2HG GLU 55 -3.873 -13.499 -1.711 412 2HG GLU 55 1HG GLU 55 -4.772 -13.321 -3.257 413 HA PRO 56 HA PRO 56 0.729 -17.879 -3.723 414 1HB PRO 56 2HB PRO 56 -0.538 -20.010 -5.020 415 2HB PRO 56 1HB PRO 56 -0.525 -19.768 -3.236 416 1HG PRO 56 2HG PRO 56 -2.717 -18.903 -5.212 417 2HG PRO 56 1HG PRO 56 -2.902 -19.832 -3.660 418 1HD PRO 56 2HD PRO 56 -3.286 -17.124 -3.724 419 2HD PRO 56 1HD PRO 56 -2.385 -17.879 -2.332 420 H LEU 57 H LEU 57 -1.510 -16.716 -6.187 421 HA LEU 57 HA LEU 57 0.285 -17.591 -8.287 422 1HB LEU 57 2HB LEU 57 -2.372 -16.106 -8.483 423 2HB LEU 57 1HB LEU 57 -1.444 -16.843 -9.852 424 HG LEU 57 HG LEU 57 -2.619 -18.207 -7.428 425 1HD1 LEU 57 1HD1 LEU 57 -4.379 -19.110 -9.023 426 2HD1 LEU 57 2HD1 LEU 57 -3.654 -18.108 -10.338 427 3HD1 LEU 57 3HD1 LEU 57 -4.403 -17.310 -8.904 428 1HD2 LEU 57 1HD2 LEU 57 -2.269 -20.393 -8.700 429 2HD2 LEU 57 2HD2 LEU 57 -0.718 -19.576 -8.315 430 3HD2 LEU 57 3HD2 LEU 57 -1.399 -19.469 -9.982 431 H HIS 58 H HIS 58 -1.367 -14.901 -9.129 432 HA HIS 58 HA HIS 58 0.859 -13.027 -8.576 433 1HB HIS 58 2HB HIS 58 -0.693 -13.299 -11.183 434 2HB HIS 58 1HB HIS 58 0.301 -11.867 -10.754 435 HD1 HIS 58 1HD HIS 58 1.408 -12.817 -13.178 436 HD2 HIS 58 2HD HIS 58 2.389 -14.858 -9.620 437 HE1 HIS 58 1HE HIS 58 3.491 -14.037 -13.596 438 H GLN 59 H GLN 59 -0.788 -12.635 -6.589 439 HA GLN 59 HA GLN 59 -2.719 -10.646 -7.475 440 1HB GLN 59 2HB GLN 59 -3.155 -13.253 -6.044 441 2HB GLN 59 1HB GLN 59 -4.149 -11.866 -5.518 442 1HG GLN 59 2HG GLN 59 -5.321 -11.710 -7.558 443 2HG GLN 59 1HG GLN 59 -4.018 -12.497 -8.501 444 1HE2 GLN 59 1HE2 GLN 59 -7.133 -13.114 -7.362 445 2HE2 GLN 59 2HE2 GLN 59 -7.013 -14.829 -7.213 446 H VAL 60 H VAL 60 -2.521 -8.826 -6.247 447 HA VAL 60 HA VAL 60 -1.190 -9.111 -3.640 448 HB VAL 60 HB VAL 60 -0.720 -7.111 -5.864 449 1HG1 VAL 60 1HG1 VAL 60 -0.575 -5.876 -3.674 450 2HG1 VAL 60 2HG1 VAL 60 1.042 -6.136 -4.398 451 3HG1 VAL 60 3HG1 VAL 60 0.514 -7.171 -3.028 452 1HG2 VAL 60 1HG2 VAL 60 0.527 -9.029 -6.371 453 2HG2 VAL 60 2HG2 VAL 60 0.726 -9.521 -4.646 454 3HG2 VAL 60 3HG2 VAL 60 1.704 -8.166 -5.312 455 H TRP 61 H TRP 61 -1.736 -7.306 -2.099 456 HA TRP 61 HA TRP 61 -4.560 -6.720 -2.477 457 1HB TRP 61 2HB TRP 61 -4.874 -7.193 -0.371 458 2HB TRP 61 1HB TRP 61 -3.227 -7.860 -0.363 459 HD1 TRP 61 HD TRP 61 -1.573 -5.237 -0.063 460 HE1 TRP 61 1HE TRP 61 -1.979 -3.513 1.815 461 HE3 TRP 61 3HE TRP 61 -6.037 -6.878 1.623 462 HZ2 TRP 61 2HZ TRP 61 -3.599 -3.406 4.191 463 HZ3 TRP 61 3HZ TRP 61 -6.957 -5.956 3.688 464 HH2 TRP 61 HH TRP 61 -5.760 -4.257 4.956 465 H LEU 62 H LEU 62 -5.429 -4.544 -2.270 466 HA LEU 62 HA LEU 62 -3.354 -2.490 -2.019 467 1HB LEU 62 2HB LEU 62 -4.109 -3.218 -4.357 468 2HB LEU 62 1HB LEU 62 -5.733 -2.592 -3.974 469 HG LEU 62 HG LEU 62 -4.249 -1.265 -5.420 470 1HD1 LEU 62 1HD1 LEU 62 -4.951 0.947 -4.591 471 2HD1 LEU 62 2HD1 LEU 62 -5.062 0.312 -2.906 472 3HD1 LEU 62 3HD1 LEU 62 -6.220 -0.260 -4.168 473 1HD2 LEU 62 1HD2 LEU 62 -2.665 -0.493 -2.878 474 2HD2 LEU 62 2HD2 LEU 62 -2.430 0.169 -4.531 475 3HD2 LEU 62 3HD2 LEU 62 -2.069 -1.572 -4.196 476 H ALA 63 H ALA 63 -3.844 -1.887 0.106 477 HA ALA 63 HA ALA 63 -6.573 -0.879 0.455 478 1HB ALA 63 1HB ALA 63 -4.522 -1.571 2.586 479 2HB ALA 63 2HB ALA 63 -5.997 -2.491 2.166 480 3HB ALA 63 3HB ALA 63 -6.149 -0.844 2.871 481 H THR 64 H THR 64 -6.985 1.068 1.102 482 HA THR 64 HA THR 64 -5.109 3.146 1.241 483 HB THR 64 HB THR 64 -4.708 3.223 -0.972 484 HG1 THR 64 1HG THR 64 -5.616 5.261 -0.381 485 1HG2 THR 64 1HG2 THR 64 -7.673 2.623 -1.608 486 2HG2 THR 64 2HG2 THR 64 -6.318 1.438 -1.708 487 3HG2 THR 64 3HG2 THR 64 -6.333 2.882 -2.776 488 H LYS 65 H LYS 65 -8.337 3.221 -0.157 489 HA LYS 65 HA LYS 65 -9.327 4.319 2.381 490 1HB LYS 65 2HB LYS 65 -9.311 5.538 -0.075 491 2HB LYS 65 1HB LYS 65 -10.990 4.948 0.031 492 1HG LYS 65 2HG LYS 65 -9.433 6.610 2.083 493 2HG LYS 65 1HG LYS 65 -10.694 7.243 0.988 494 1HD LYS 65 2HD LYS 65 -12.450 6.100 2.218 495 2HD LYS 65 1HD LYS 65 -11.276 5.085 3.114 496 1HE LYS 65 2HE LYS 65 -10.300 7.089 4.236 497 2HE LYS 65 1HE LYS 65 -11.554 8.121 3.436 498 1HZ LYS 65 1HZ LYS 65 -12.015 7.357 5.735 499 2HZ LYS 65 2HZ LYS 65 -12.259 5.789 5.169 500 3HZ LYS 65 3HZ LYS 65 -13.241 7.037 4.597 501 H GLN 66 H GLN 66 -10.423 2.341 -0.445 502 HA GLN 66 HA GLN 66 -12.959 2.116 0.588 503 1HB GLN 66 2HB GLN 66 -11.387 0.632 -1.557 504 2HB GLN 66 1HB GLN 66 -13.133 0.387 -1.323 505 1HG GLN 66 2HG GLN 66 -13.649 2.737 -1.865 506 2HG GLN 66 1HG GLN 66 -11.905 3.157 -1.912 507 1HE2 GLN 66 1HE2 GLN 66 -14.517 1.412 -3.664 508 2HE2 GLN 66 2HE2 GLN 66 -13.615 1.222 -5.133 509 H GLY 67 H GLY 67 -10.285 -0.086 1.201 510 1HA GLY 67 2HA GLY 67 -11.239 -1.261 3.305 511 2HA GLY 67 1HA GLY 67 -12.194 -2.137 2.071 512 H GLY 68 H GLY 68 -9.403 -1.775 0.472 513 1HA GLY 68 2HA GLY 68 -7.478 -2.991 0.460 514 2HA GLY 68 1HA GLY 68 -8.107 -4.103 1.714 515 H TYR 69 H TYR 69 -8.352 -3.070 -1.674 516 HA TYR 69 HA TYR 69 -9.840 -5.509 -2.361 517 1HB TYR 69 2HB TYR 69 -9.342 -2.865 -3.821 518 2HB TYR 69 1HB TYR 69 -10.169 -4.282 -4.555 519 HD1 TYR 69 1HD TYR 69 -11.414 -4.293 -1.234 520 HD2 TYR 69 2HD TYR 69 -11.516 -2.115 -4.892 521 HE1 TYR 69 1HE TYR 69 -13.592 -3.461 -0.668 522 HE2 TYR 69 2HE TYR 69 -13.750 -1.304 -4.333 523 HH TYR 69 HH TYR 69 -15.435 -2.406 -1.407 524 H HIS 70 H HIS 70 -8.638 -7.213 -3.155 525 HA HIS 70 HA HIS 70 -5.995 -6.574 -4.055 526 1HB HIS 70 2HB HIS 70 -5.552 -8.947 -4.019 527 2HB HIS 70 1HB HIS 70 -6.466 -8.519 -2.549 528 HD1 HIS 70 1HD HIS 70 -6.792 -11.112 -2.524 529 HD2 HIS 70 2HD HIS 70 -8.744 -9.223 -5.717 530 HE1 HIS 70 1HE HIS 70 -8.464 -12.763 -3.453 531 H PHE 71 H PHE 71 -4.949 -7.464 -5.897 532 HA PHE 71 HA PHE 71 -6.685 -7.083 -8.210 533 1HB PHE 71 2HB PHE 71 -5.163 -5.458 -9.085 534 2HB PHE 71 1HB PHE 71 -5.706 -5.015 -7.409 535 HD1 PHE 71 1HD PHE 71 -2.883 -5.640 -9.524 536 HD2 PHE 71 2HD PHE 71 -4.209 -5.069 -5.545 537 HE1 PHE 71 1HE PHE 71 -0.614 -5.004 -8.878 538 HE2 PHE 71 2HE PHE 71 -1.954 -4.374 -4.889 539 HZ PHE 71 HZ PHE 71 -0.147 -4.341 -6.551 540 H ASP 72 H ASP 72 -6.283 -8.070 -10.086 541 HA ASP 72 HA ASP 72 -4.115 -10.024 -10.148 542 1HB ASP 72 2HB ASP 72 -6.218 -11.112 -9.499 543 2HB ASP 72 1HB ASP 72 -7.069 -10.394 -10.912 544 H LEU 73 H LEU 73 -3.736 -10.788 -12.293 545 HA LEU 73 HA LEU 73 -3.348 -8.421 -14.004 546 1HB LEU 73 2HB LEU 73 -1.444 -9.677 -13.178 547 2HB LEU 73 1HB LEU 73 -1.995 -11.152 -14.001 548 HG LEU 73 HG LEU 73 -1.637 -8.660 -15.698 549 1HD1 LEU 73 1HD1 LEU 73 0.831 -8.980 -15.837 550 2HD1 LEU 73 2HD1 LEU 73 0.748 -10.237 -14.542 551 3HD1 LEU 73 3HD1 LEU 73 0.317 -8.528 -14.173 552 1HD2 LEU 73 1HD2 LEU 73 -2.282 -10.873 -16.753 553 2HD2 LEU 73 2HD2 LEU 73 -0.779 -11.610 -16.085 554 3HD2 LEU 73 3HD2 LEU 73 -0.670 -10.293 -17.315 555 H LYS 74 H LYS 74 -4.681 -7.996 -15.721 556 HA LYS 74 HA LYS 74 -5.949 -10.126 -17.130 557 1HB LYS 74 2HB LYS 74 -7.017 -7.956 -16.705 558 2HB LYS 74 1HB LYS 74 -5.648 -7.083 -17.443 559 1HG LYS 74 2HG LYS 74 -7.500 -7.073 -18.883 560 2HG LYS 74 1HG LYS 74 -6.231 -8.058 -19.688 561 1HD LYS 74 2HD LYS 74 -7.411 -10.171 -19.021 562 2HD LYS 74 1HD LYS 74 -8.586 -9.224 -18.071 563 1HE LYS 74 2HE LYS 74 -9.669 -9.905 -20.120 564 2HE LYS 74 1HE LYS 74 -9.404 -8.121 -20.218 565 1HZ LYS 74 1HZ LYS 74 -7.457 -8.571 -21.650 566 2HZ LYS 74 2HZ LYS 74 -8.868 -9.275 -22.242 567 3HZ LYS 74 3HZ LYS 74 -7.689 -10.219 -21.475 568 H GLY 75 H GLY 75 -3.474 -7.610 -17.858 569 1HA GLY 75 2HA GLY 75 -1.862 -9.438 -19.288 570 2HA GLY 75 1HA GLY 75 -2.872 -8.442 -20.403 571 H ASP 76 H ASP 76 -2.649 -6.141 -20.293 572 HA ASP 76 HA ASP 76 0.062 -5.292 -19.705 573 1HB ASP 76 2HB ASP 76 -2.209 -3.628 -20.906 574 2HB ASP 76 1HB ASP 76 -0.439 -3.384 -21.101 575 H GLU 77 H GLU 77 -2.408 -5.691 -17.686 576 HA GLU 77 HA GLU 77 -2.519 -3.209 -16.275 577 1HB GLU 77 2HB GLU 77 -4.817 -2.663 -16.931 578 2HB GLU 77 1HB GLU 77 -3.744 -2.601 -18.347 579 1HG GLU 77 2HG GLU 77 -4.546 -5.107 -18.776 580 2HG GLU 77 1HG GLU 77 -5.890 -4.677 -17.663 581 H TRP 78 H TRP 78 -3.574 -3.556 -14.328 582 HA TRP 78 HA TRP 78 -4.374 -6.351 -13.892 583 1HB TRP 78 2HB TRP 78 -3.227 -4.332 -11.919 584 2HB TRP 78 1HB TRP 78 -3.842 -5.971 -11.519 585 HD1 TRP 78 HD TRP 78 -1.021 -4.560 -13.935 586 HE1 TRP 78 1HE TRP 78 1.156 -5.666 -13.145 587 HE3 TRP 78 3HE TRP 78 -2.906 -7.714 -10.436 588 HZ2 TRP 78 2HZ TRP 78 1.920 -7.861 -11.555 589 HZ3 TRP 78 3HZ TRP 78 -1.405 -9.240 -9.284 590 HH2 TRP 78 HH TRP 78 0.967 -9.330 -9.830 591 H ILE 79 H ILE 79 -6.274 -6.742 -12.962 592 HA ILE 79 HA ILE 79 -8.223 -4.586 -12.920 593 HB ILE 79 HB ILE 79 -8.405 -7.613 -13.058 594 1HG1 ILE 79 2HG1 ILE 79 -8.927 -5.278 -14.957 595 2HG1 ILE 79 1HG1 ILE 79 -7.637 -6.504 -15.131 596 1HG2 ILE 79 1HG2 ILE 79 -10.702 -5.542 -13.004 597 2HG2 ILE 79 2HG2 ILE 79 -10.343 -6.770 -11.723 598 3HG2 ILE 79 3HG2 ILE 79 -10.871 -7.303 -13.331 599 1HD1 ILE 79 1HD1 ILE 79 -9.434 -8.298 -15.450 600 2HD1 ILE 79 2HD1 ILE 79 -9.388 -7.042 -16.745 601 3HD1 ILE 79 3HD1 ILE 79 -10.668 -6.985 -15.490 602 H CYS 80 H CYS 80 -9.221 -4.011 -11.089 603 HA CYS 80 HA CYS 80 -8.296 -5.160 -8.615 604 1HB CYS 80 2HB CYS 80 -10.427 -3.019 -9.154 605 2HB CYS 80 1HB CYS 80 -9.865 -3.518 -7.538 606 HG CYS 80 HG CYS 80 -8.831 -1.180 -8.353 607 H ASP 81 H ASP 81 -9.418 -6.940 -7.669 608 HA ASP 81 HA ASP 81 -11.332 -8.133 -9.244 609 1HB ASP 81 2HB ASP 81 -9.625 -9.269 -7.808 610 2HB ASP 81 1HB ASP 81 -10.552 -8.786 -6.344 611 H ARG 82 H ARG 82 -11.788 -6.479 -6.090 612 HA ARG 82 HA ARG 82 -14.575 -7.083 -6.105 613 1HB ARG 82 2HB ARG 82 -13.420 -4.790 -4.517 614 2HB ARG 82 1HB ARG 82 -14.764 -5.882 -4.108 615 1HG ARG 82 2HG ARG 82 -11.744 -6.474 -4.056 616 2HG ARG 82 1HG ARG 82 -12.828 -6.172 -2.674 617 1HD ARG 82 2HD ARG 82 -14.025 -8.341 -3.089 618 2HD ARG 82 1HD ARG 82 -12.912 -8.664 -4.490 619 HE ARG 82 HE ARG 82 -11.710 -8.001 -1.798 620 1HH1 ARG 82 1HH1 ARG 82 -12.841 -10.798 -3.740 621 2HH1 ARG 82 2HH1 ARG 82 -11.657 -11.822 -2.958 622 1HH2 ARG 82 1HH2 ARG 82 -9.955 -9.403 -1.212 623 2HH2 ARG 82 2HH2 ARG 82 -10.225 -11.110 -1.533 624 H SER 83 H SER 83 -16.224 -5.921 -6.965 625 HA SER 83 HA SER 83 -17.286 -4.592 -8.238 626 1HB SER 83 2HB SER 83 -16.364 -2.684 -6.919 627 2HB SER 83 1HB SER 83 -15.135 -2.456 -8.206 628 HG SER 83 HG SER 83 -17.166 -1.232 -8.342 629 H GLY 84 H GLY 84 -13.874 -4.766 -9.255 630 1HA GLY 84 2HA GLY 84 -13.235 -5.911 -11.132 631 2HA GLY 84 1HA GLY 84 -14.856 -5.674 -11.858 632 H GLU 85 H GLU 85 -11.871 -4.001 -10.928 633 HA GLU 85 HA GLU 85 -12.477 -1.890 -12.882 634 1HB GLU 85 2HB GLU 85 -11.806 -1.518 -9.958 635 2HB GLU 85 1HB GLU 85 -11.619 -0.193 -11.150 636 1HG GLU 85 2HG GLU 85 -14.310 -1.625 -10.821 637 2HG GLU 85 1HG GLU 85 -13.777 -0.283 -9.760 638 H THR 86 H THR 86 -9.847 -0.779 -11.266 639 HA THR 86 HA THR 86 -8.043 -1.996 -13.205 640 HB THR 86 HB THR 86 -8.923 0.951 -13.066 641 HG1 THR 86 1HG THR 86 -10.412 0.296 -14.378 642 1HG2 THR 86 1HG2 THR 86 -7.608 1.131 -15.248 643 2HG2 THR 86 2HG2 THR 86 -7.083 -0.579 -15.066 644 3HG2 THR 86 3HG2 THR 86 -6.535 0.678 -13.887 645 H PHE 87 H PHE 87 -5.880 -1.824 -12.491 646 HA PHE 87 HA PHE 87 -5.423 -1.219 -9.964 647 1HB PHE 87 2HB PHE 87 -3.067 -1.443 -10.367 648 2HB PHE 87 1HB PHE 87 -4.078 -2.706 -11.119 649 HD1 PHE 87 1HD PHE 87 -4.573 -0.519 -13.676 650 HD2 PHE 87 2HD PHE 87 -1.350 -2.396 -11.612 651 HE1 PHE 87 1HE PHE 87 -3.225 -0.388 -15.662 652 HE2 PHE 87 2HE PHE 87 0.019 -2.228 -13.622 653 HZ PHE 87 HZ PHE 87 -0.911 -1.216 -15.663 654 H TRP 88 H TRP 88 -3.579 0.994 -12.213 655 HA TRP 88 HA TRP 88 -3.171 2.625 -10.042 656 1HB TRP 88 2HB TRP 88 -2.977 3.956 -12.743 657 2HB TRP 88 1HB TRP 88 -2.017 4.007 -11.275 658 HD1 TRP 88 HD TRP 88 -2.100 2.372 -14.677 659 HE1 TRP 88 1HE TRP 88 0.264 1.485 -15.091 660 HE3 TRP 88 3HE TRP 88 -0.334 2.660 -9.930 661 HZ2 TRP 88 2HZ TRP 88 2.609 1.037 -13.584 662 HZ3 TRP 88 3HZ TRP 88 1.993 2.019 -9.494 663 HH2 TRP 88 HH TRP 88 3.444 1.243 -11.285 664 H ASP 89 H ASP 89 -5.607 2.758 -12.557 665 HA ASP 89 HA ASP 89 -6.630 5.267 -11.922 666 1HB ASP 89 2HB ASP 89 -7.388 2.932 -13.572 667 2HB ASP 89 1HB ASP 89 -8.855 3.720 -12.874 668 H LEU 90 H LEU 90 -7.546 2.115 -10.412 669 HA LEU 90 HA LEU 90 -9.566 3.298 -8.947 670 1HB LEU 90 2HB LEU 90 -9.359 0.833 -9.256 671 2HB LEU 90 1HB LEU 90 -7.904 0.837 -8.221 672 HG LEU 90 HG LEU 90 -9.431 1.978 -6.435 673 1HD1 LEU 90 1HD1 LEU 90 -11.882 1.394 -6.616 674 2HD1 LEU 90 2HD1 LEU 90 -11.608 0.754 -8.270 675 3HD1 LEU 90 3HD1 LEU 90 -11.372 2.513 -7.935 676 1HD2 LEU 90 1HD2 LEU 90 -8.588 -0.377 -6.224 677 2HD2 LEU 90 2HD2 LEU 90 -10.078 -0.948 -7.092 678 3HD2 LEU 90 3HD2 LEU 90 -10.227 -0.127 -5.508 679 H LEU 91 H LEU 91 -6.219 2.421 -8.247 680 HA LEU 91 HA LEU 91 -5.877 3.394 -5.714 681 1HB LEU 91 2HB LEU 91 -4.248 1.979 -6.869 682 2HB LEU 91 1HB LEU 91 -3.945 3.261 -8.069 683 HG LEU 91 HG LEU 91 -2.916 4.699 -6.344 684 1HD1 LEU 91 1HD1 LEU 91 -2.333 3.806 -4.087 685 2HD1 LEU 91 2HD1 LEU 91 -3.316 2.333 -4.399 686 3HD1 LEU 91 3HD1 LEU 91 -4.112 3.951 -4.279 687 1HD2 LEU 91 1HD2 LEU 91 -0.847 3.332 -6.015 688 2HD2 LEU 91 2HD2 LEU 91 -1.514 3.153 -7.683 689 3HD2 LEU 91 3HD2 LEU 91 -1.757 1.846 -6.463 690 H GLU 92 H GLU 92 -5.400 5.261 -8.751 691 HA GLU 92 HA GLU 92 -4.781 7.675 -7.668 692 1HB GLU 92 2HB GLU 92 -4.958 7.068 -10.177 693 2HB GLU 92 1HB GLU 92 -6.704 7.294 -10.015 694 1HG GLU 92 2HG GLU 92 -5.977 9.715 -8.994 695 2HG GLU 92 1HG GLU 92 -4.429 9.350 -9.818 696 H GLN 93 H GLN 93 -8.098 6.426 -8.372 697 HA GLN 93 HA GLN 93 -9.353 8.714 -7.468 698 1HB GLN 93 2HB GLN 93 -10.175 6.553 -8.798 699 2HB GLN 93 1HB GLN 93 -10.766 6.057 -7.199 700 1HG GLN 93 2HG GLN 93 -11.439 8.622 -8.795 701 2HG GLN 93 1HG GLN 93 -12.518 7.223 -8.516 702 1HE2 GLN 93 1HE2 GLN 93 -11.614 10.319 -7.403 703 2HE2 GLN 93 2HE2 GLN 93 -12.511 10.294 -5.903 704 H ALA 94 H ALA 94 -8.838 5.670 -5.648 705 HA ALA 94 HA ALA 94 -9.975 6.496 -3.270 706 1HB ALA 94 1HB ALA 94 -7.728 4.487 -3.826 707 2HB ALA 94 2HB ALA 94 -9.500 4.157 -3.901 708 3HB ALA 94 3HB ALA 94 -8.726 4.557 -2.321 709 H ALA 95 H ALA 95 -6.536 6.739 -4.283 710 HA ALA 95 HA ALA 95 -5.721 7.810 -1.818 711 1HB ALA 95 1HB ALA 95 -4.252 6.546 -3.350 712 2HB ALA 95 2HB ALA 95 -3.573 8.165 -2.968 713 3HB ALA 95 3HB ALA 95 -4.381 7.861 -4.569 714 H THR 96 H THR 96 -6.642 9.336 -4.908 715 HA THR 96 HA THR 96 -6.126 11.962 -4.162 716 HB THR 96 HB THR 96 -8.164 10.848 -6.127 717 HG1 THR 96 1HG THR 96 -6.273 10.314 -6.818 718 1HG2 THR 96 1HG2 THR 96 -8.723 13.236 -5.637 719 2HG2 THR 96 2HG2 THR 96 -7.933 13.092 -7.245 720 3HG2 THR 96 3HG2 THR 96 -6.987 13.696 -5.841 721 H GLN 97 H GLN 97 -8.932 9.908 -3.758 722 HA GLN 97 HA GLN 97 -10.761 11.704 -2.709 723 1HB GLN 97 2HB GLN 97 -11.615 9.631 -3.323 724 2HB GLN 97 1HB GLN 97 -10.182 8.799 -2.740 725 1HG GLN 97 2HG GLN 97 -11.725 7.899 -1.447 726 2HG GLN 97 1HG GLN 97 -11.043 9.023 -0.291 727 1HE2 GLN 97 1HE2 GLN 97 -13.790 7.672 -0.715 728 2HE2 GLN 97 2HE2 GLN 97 -14.899 8.969 -0.412 729 H GLN 98 H GLN 98 -8.466 9.606 -0.859 730 HA GLN 98 HA GLN 98 -9.162 10.973 1.522 731 1HB GLN 98 2HB GLN 98 -7.534 9.599 2.637 732 2HB GLN 98 1HB GLN 98 -8.611 8.673 1.552 733 1HG GLN 98 2HG GLN 98 -6.769 8.719 -0.222 734 2HG GLN 98 1HG GLN 98 -5.670 9.419 1.007 735 1HE2 GLN 98 1HE2 GLN 98 -7.457 7.380 2.923 736 2HE2 GLN 98 2HE2 GLN 98 -6.721 5.847 2.544 737 H ALA 99 H ALA 99 -6.469 11.493 -0.753 738 HA ALA 99 HA ALA 99 -5.138 13.271 0.988 739 1HB ALA 99 1HB ALA 99 -3.752 13.752 -1.029 740 2HB ALA 99 2HB ALA 99 -4.966 12.908 -2.065 741 3HB ALA 99 3HB ALA 99 -4.023 11.985 -0.860 742 H GLY 100 H GLY 100 -7.482 13.787 -1.652 743 1HA GLY 100 2HA GLY 100 -8.753 15.570 -2.046 744 2HA GLY 100 1HA GLY 100 -7.878 16.512 -0.789 745 H GLU 101 H GLU 101 -6.214 14.755 -3.288 746 HA GLU 101 HA GLU 101 -5.913 16.676 -5.239 747 1HB GLU 101 2HB GLU 101 -3.533 17.372 -4.830 748 2HB GLU 101 1HB GLU 101 -4.684 18.056 -3.665 749 1HG GLU 101 2HG GLU 101 -4.007 16.140 -2.032 750 2HG GLU 101 1HG GLU 101 -2.707 15.730 -3.198 751 H THR 102 H THR 102 -4.153 15.855 -6.814 752 HA THR 102 HA THR 102 -4.694 13.138 -6.970 753 HB THR 102 HB THR 102 -2.730 14.703 -8.643 754 HG1 THR 102 1HG THR 102 -4.956 14.126 -9.860 755 1HG2 THR 102 1HG2 THR 102 -3.304 12.920 -10.363 756 2HG2 THR 102 2HG2 THR 102 -4.214 12.011 -9.112 757 3HG2 THR 102 3HG2 THR 102 -2.432 12.214 -8.976 758 H VAL 103 H VAL 103 -3.648 11.328 -6.446 759 HA VAL 103 HA VAL 103 -0.894 11.540 -5.465 760 HB VAL 103 HB VAL 103 -2.987 9.407 -5.104 761 1HG1 VAL 103 1HG1 VAL 103 -1.304 8.444 -3.469 762 2HG1 VAL 103 2HG1 VAL 103 -0.120 9.710 -3.941 763 3HG1 VAL 103 3HG1 VAL 103 -0.633 8.454 -5.134 764 1HG2 VAL 103 1HG2 VAL 103 -1.811 11.561 -3.216 765 2HG2 VAL 103 2HG2 VAL 103 -2.869 10.213 -2.678 766 3HG2 VAL 103 3HG2 VAL 103 -3.512 11.461 -3.797 767 H SER 104 H SER 104 0.614 10.929 -6.700 768 HA SER 104 HA SER 104 -0.150 9.988 -9.342 769 1HB SER 104 2HB SER 104 2.402 11.419 -8.463 770 2HB SER 104 1HB SER 104 1.862 11.117 -10.156 771 HG SER 104 HG SER 104 1.272 13.171 -9.567 772 H PHE 105 H PHE 105 0.728 8.373 -10.494 773 HA PHE 105 HA PHE 105 2.983 6.890 -9.362 774 1HB PHE 105 2HB PHE 105 1.760 4.882 -10.593 775 2HB PHE 105 1HB PHE 105 1.222 5.433 -8.967 776 HD1 PHE 105 1HD PHE 105 0.411 5.554 -12.557 777 HD2 PHE 105 2HD PHE 105 -0.779 6.596 -8.623 778 HE1 PHE 105 1HE PHE 105 -1.656 6.491 -13.449 779 HE2 PHE 105 2HE PHE 105 -2.857 7.508 -9.476 780 HZ PHE 105 HZ PHE 105 -3.333 7.464 -11.907 781 H ARG 106 H ARG 106 1.284 7.946 -12.290 782 HA ARG 106 HA ARG 106 3.730 7.336 -13.814 783 1HB ARG 106 2HB ARG 106 0.814 7.359 -14.700 784 2HB ARG 106 1HB ARG 106 2.182 7.577 -15.832 785 1HG ARG 106 2HG ARG 106 3.191 5.441 -14.805 786 2HG ARG 106 1HG ARG 106 1.550 5.053 -14.237 787 1HD ARG 106 2HD ARG 106 0.659 5.104 -16.549 788 2HD ARG 106 1HD ARG 106 2.228 5.695 -17.196 789 HE ARG 106 HE ARG 106 1.587 2.918 -16.555 790 1HH1 ARG 106 1HH1 ARG 106 4.379 5.119 -17.040 791 2HH1 ARG 106 2HH1 ARG 106 5.503 3.852 -16.598 792 1HH2 ARG 106 1HH2 ARG 106 3.189 1.293 -16.276 793 2HH2 ARG 106 2HH2 ARG 106 4.864 1.812 -16.221
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