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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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656021 |
6x1k ![]() ![]() |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1HT MET 1 -8.464 -26.590 -7.879 2 H2 MET 1 2HT MET 1 -9.258 -26.551 -9.381 3 H3 MET 1 3HT MET 1 -9.912 -25.724 -8.050 4 HA MET 1 HA MET 1 -7.812 -24.359 -8.018 5 HB2 MET 1 2HB MET 1 -7.603 -25.654 -10.753 6 HB3 MET 1 1HB MET 1 -6.636 -24.280 -10.211 7 HG2 MET 1 2HG MET 1 -5.536 -25.571 -8.548 8 HG3 MET 1 1HG MET 1 -6.722 -26.872 -8.663 9 HE1 MET 1 1HE MET 1 -6.035 -28.970 -9.560 10 HE2 MET 1 2HE MET 1 -5.626 -29.155 -11.263 11 HE3 MET 1 3HE MET 1 -7.101 -28.308 -10.807 12 H GLN 2 H GLN 2 -8.473 -22.317 -8.362 13 HA GLN 2 HA GLN 2 -10.032 -21.568 -10.673 14 HB2 GLN 2 2HB GLN 2 -11.810 -22.521 -9.295 15 HB3 GLN 2 1HB GLN 2 -11.315 -21.516 -7.931 16 HG2 GLN 2 2HG GLN 2 -11.853 -20.095 -10.484 17 HG3 GLN 2 1HG GLN 2 -13.254 -20.779 -9.661 18 HE21 GLN 2 1HE2 GLN 2 -13.839 -19.892 -7.567 19 HE22 GLN 2 2HE2 GLN 2 -13.143 -18.458 -6.981 20 H ASP 3 H ASP 3 -8.945 -20.691 -7.410 21 HA ASP 3 HA ASP 3 -9.034 -17.885 -7.775 22 HB2 ASP 3 2HB ASP 3 -7.202 -18.024 -5.899 23 HB3 ASP 3 1HB ASP 3 -8.864 -18.493 -5.544 24 H GLY 4 H GLY 4 -8.143 -17.794 -9.983 25 HA2 GLY 4 2HA GLY 4 -5.228 -18.132 -10.153 26 HA3 GLY 4 1HA GLY 4 -6.321 -17.890 -11.511 27 HA PRO 5 HA PRO 5 -3.892 -13.951 -10.546 28 HB2 PRO 5 2HB PRO 5 -4.316 -13.852 -13.502 29 HB3 PRO 5 1HB PRO 5 -2.875 -13.438 -12.554 30 HG2 PRO 5 2HG PRO 5 -3.045 -15.715 -13.940 31 HG3 PRO 5 1HG PRO 5 -2.185 -15.614 -12.395 32 HD2 PRO 5 2HD PRO 5 -4.798 -16.896 -13.006 33 HD3 PRO 5 1HD PRO 5 -3.624 -17.274 -11.725 34 H GLY 6 H GLY 6 -4.713 -11.830 -10.552 35 HA2 GLY 6 2HA GLY 6 -6.270 -10.138 -11.194 36 HA3 GLY 6 1HA GLY 6 -7.381 -11.399 -11.719 37 H THR 7 H THR 7 -5.873 -12.089 -8.756 38 HA THR 7 HA THR 7 -8.302 -12.099 -7.306 39 HB THR 7 HB THR 7 -5.826 -11.887 -5.723 40 HG1 THR 7 1HG THR 7 -5.735 -14.283 -6.769 41 HG21 THR 7 1HG2 THR 7 -7.900 -14.077 -6.010 42 HG22 THR 7 2HG2 THR 7 -8.043 -12.711 -4.903 43 HG23 THR 7 3HG2 THR 7 -6.744 -13.884 -4.692 44 H LEU 8 H LEU 8 -9.152 -10.691 -5.814 45 HA LEU 8 HA LEU 8 -7.960 -7.984 -5.768 46 HB2 LEU 8 2HB LEU 8 -10.837 -8.710 -5.196 47 HB3 LEU 8 1HB LEU 8 -10.166 -7.104 -5.486 48 HG LEU 8 HG LEU 8 -9.369 -8.401 -7.747 49 HD11 LEU 8 1HD1 LEU 8 -10.732 -10.401 -6.909 50 HD12 LEU 8 2HD1 LEU 8 -11.095 -9.845 -8.543 51 HD13 LEU 8 3HD1 LEU 8 -12.166 -9.419 -7.208 52 HD21 LEU 8 1HD2 LEU 8 -11.903 -6.875 -7.118 53 HD22 LEU 8 2HD2 LEU 8 -11.473 -7.336 -8.765 54 HD23 LEU 8 3HD2 LEU 8 -10.419 -6.262 -7.846 55 H ASP 9 H ASP 9 -7.593 -6.978 -3.840 56 HA ASP 9 HA ASP 9 -8.440 -8.334 -1.369 57 HB2 ASP 9 2HB ASP 9 -6.281 -9.179 -1.434 58 HB3 ASP 9 1HB ASP 9 -5.636 -7.753 -2.245 59 H VAL 10 H VAL 10 -8.743 -6.980 0.388 60 HA VAL 10 HA VAL 10 -8.713 -4.093 -0.236 61 HB VAL 10 HB VAL 10 -10.337 -5.645 1.795 62 HG11 VAL 10 1HG1 VAL 10 -11.550 -3.356 1.864 63 HG12 VAL 10 2HG1 VAL 10 -10.069 -2.708 1.160 64 HG13 VAL 10 3HG1 VAL 10 -10.025 -3.502 2.735 65 HG21 VAL 10 1HG2 VAL 10 -10.788 -5.673 -0.826 66 HG22 VAL 10 2HG2 VAL 10 -11.474 -4.082 -0.493 67 HG23 VAL 10 3HG2 VAL 10 -12.121 -5.509 0.317 68 H PHE 11 H PHE 11 -7.601 -2.688 1.037 69 HA PHE 11 HA PHE 11 -6.574 -3.535 3.627 70 HB2 PHE 11 2HB PHE 11 -4.314 -3.532 3.131 71 HB3 PHE 11 1HB PHE 11 -4.972 -4.240 1.655 72 HD1 PHE 11 1HD PHE 11 -5.523 -2.652 -0.296 73 HD2 PHE 11 2HD PHE 11 -3.076 -1.528 3.051 74 HE1 PHE 11 1HE PHE 11 -4.576 -0.780 -1.618 75 HE2 PHE 11 2HE PHE 11 -2.128 0.344 1.729 76 HZ PHE 11 HZ PHE 11 -2.878 0.718 -0.605 77 H VAL 12 H VAL 12 -6.249 -1.855 4.983 78 HA VAL 12 HA VAL 12 -6.655 0.860 3.883 79 HB VAL 12 HB VAL 12 -7.154 -0.193 6.680 80 HG11 VAL 12 1HG1 VAL 12 -8.304 2.067 6.900 81 HG12 VAL 12 2HG1 VAL 12 -7.504 2.528 5.399 82 HG13 VAL 12 3HG1 VAL 12 -6.542 2.123 6.821 83 HG21 VAL 12 1HG2 VAL 12 -8.686 -0.570 4.420 84 HG22 VAL 12 2HG2 VAL 12 -9.368 0.914 5.083 85 HG23 VAL 12 3HG2 VAL 12 -9.315 -0.547 6.068 86 H ALA 13 H ALA 13 -5.399 2.593 4.822 87 HA ALA 13 HA ALA 13 -3.135 1.924 6.487 88 HB1 ALA 13 1HB ALA 13 -1.431 2.574 4.924 89 HB2 ALA 13 2HB ALA 13 -2.633 3.047 3.724 90 HB3 ALA 13 3HB ALA 13 -2.421 1.345 4.136 91 H ALA 14 H ALA 14 -3.280 3.466 7.915 92 HA ALA 14 HA ALA 14 -3.775 6.247 7.031 93 HB1 ALA 14 1HB ALA 14 -5.572 5.206 8.468 94 HB2 ALA 14 2HB ALA 14 -4.857 6.676 9.131 95 HB3 ALA 14 3HB ALA 14 -4.380 5.100 9.763 96 H GLY 15 H GLY 15 -2.147 7.627 7.353 97 HA2 GLY 15 2HA GLY 15 -0.220 7.087 9.522 98 HA3 GLY 15 1HA GLY 15 0.365 7.373 7.887 99 H TRP 16 H TRP 16 1.475 9.091 9.330 100 HA TRP 16 HA TRP 16 0.022 11.599 8.908 101 HB2 TRP 16 2HB TRP 16 1.102 12.213 11.282 102 HB3 TRP 16 1HB TRP 16 -0.526 11.551 11.132 103 HD1 TRP 16 HD TRP 16 3.052 10.062 11.318 104 HE1 TRP 16 1HE TRP 16 2.980 8.014 12.884 105 HE3 TRP 16 3HE TRP 16 -1.904 10.070 12.553 106 HZ2 TRP 16 2HZ TRP 16 1.072 6.571 14.453 107 HZ3 TRP 16 3HZ TRP 16 -2.820 8.350 14.083 108 HH2 TRP 16 HH TRP 16 -1.341 6.602 15.034 109 H ASN 17 H ASN 17 1.415 13.459 8.876 110 HA ASN 17 HA ASN 17 4.208 12.760 8.214 111 HB2 ASN 17 2HB ASN 17 4.149 15.016 7.031 112 HB3 ASN 17 1HB ASN 17 3.157 13.743 6.322 113 HD21 ASN 17 1HD2 ASN 17 1.234 14.684 5.622 114 HD22 ASN 17 2HD2 ASN 17 0.326 15.810 6.510 115 H THR 18 H THR 18 5.906 14.066 8.974 116 HA THR 18 HA THR 18 5.898 14.812 11.612 117 HB THR 18 HB THR 18 7.545 16.290 9.563 118 HG1 THR 18 1HG THR 18 8.062 13.727 10.649 119 HG21 THR 18 1HG2 THR 18 9.229 16.207 11.350 120 HG22 THR 18 2HG2 THR 18 8.124 15.280 12.363 121 HG23 THR 18 3HG2 THR 18 7.742 16.949 11.940 122 H ASP 19 H ASP 19 4.642 16.568 8.900 123 HA ASP 19 HA ASP 19 4.634 19.180 9.952 124 HB2 ASP 19 2HB ASP 19 3.801 17.998 7.607 125 HB3 ASP 19 1HB ASP 19 2.281 18.494 8.350 126 H ASN 20 H ASN 20 3.229 16.489 11.227 127 HA ASN 20 HA ASN 20 1.772 16.214 12.989 128 HB2 ASN 20 2HB ASN 20 2.703 18.644 13.489 129 HB3 ASN 20 1HB ASN 20 1.070 19.118 13.028 130 HD21 ASN 20 1HD2 ASN 20 2.431 19.059 15.768 131 HD22 ASN 20 2HD2 ASN 20 1.384 18.138 16.736 132 H THR 21 H THR 21 0.863 15.710 10.470 133 HA THR 21 HA THR 21 -1.963 16.516 10.680 134 HB THR 21 HB THR 21 -0.388 16.447 8.095 135 HG1 THR 21 1HG THR 21 -1.505 18.615 9.542 136 HG21 THR 21 1HG2 THR 21 -3.198 16.287 8.699 137 HG22 THR 21 2HG2 THR 21 -2.405 16.273 7.123 138 HG23 THR 21 3HG2 THR 21 -2.862 17.806 7.867 139 H ILE 22 H ILE 22 -3.420 14.926 10.209 140 HA ILE 22 HA ILE 22 -2.295 12.246 9.752 141 HB ILE 22 HB ILE 22 -3.718 12.554 11.744 142 HG12 ILE 22 2HG1 ILE 22 -5.192 10.916 9.668 143 HG13 ILE 22 1HG1 ILE 22 -3.658 10.400 10.369 144 HG21 ILE 22 1HG2 ILE 22 -5.128 14.346 10.488 145 HG22 ILE 22 2HG2 ILE 22 -5.956 13.271 11.615 146 HG23 ILE 22 3HG2 ILE 22 -6.049 12.971 9.879 147 HD11 ILE 22 1HD1 ILE 22 -6.109 9.825 11.446 148 HD12 ILE 22 2HD1 ILE 22 -5.672 11.279 12.341 149 HD13 ILE 22 3HD1 ILE 22 -4.608 9.873 12.369 150 H GLU 23 H GLU 23 -2.910 10.965 8.060 151 HA GLU 23 HA GLU 23 -4.886 12.041 6.155 152 HB2 GLU 23 2HB GLU 23 -3.452 11.752 4.289 153 HB3 GLU 23 1HB GLU 23 -2.478 12.596 5.492 154 HG2 GLU 23 2HG GLU 23 -1.811 10.166 6.241 155 HG3 GLU 23 1HG GLU 23 -2.335 9.728 4.615 156 H ILE 24 H ILE 24 -6.189 10.526 5.266 157 HA ILE 24 HA ILE 24 -5.756 7.740 6.111 158 HB ILE 24 HB ILE 24 -8.213 7.604 5.183 159 HG12 ILE 24 2HG1 ILE 24 -8.143 10.517 5.960 160 HG13 ILE 24 1HG1 ILE 24 -7.892 10.029 4.285 161 HG21 ILE 24 1HG2 ILE 24 -9.034 8.329 7.413 162 HG22 ILE 24 2HG2 ILE 24 -7.464 9.065 7.733 163 HG23 ILE 24 3HG2 ILE 24 -7.594 7.317 7.537 164 HD11 ILE 24 1HD1 ILE 24 -10.228 8.886 5.768 165 HD12 ILE 24 2HD1 ILE 24 -10.054 9.227 4.046 166 HD13 ILE 24 3HD1 ILE 24 -10.331 10.547 5.183 167 H THR 25 H THR 25 -5.523 6.093 4.678 168 HA THR 25 HA THR 25 -5.901 6.616 1.817 169 HB THR 25 HB THR 25 -3.306 5.611 3.011 170 HG1 THR 25 1HG THR 25 -3.152 7.695 1.330 171 HG21 THR 25 1HG2 THR 25 -3.237 4.479 1.036 172 HG22 THR 25 2HG2 THR 25 -2.843 6.061 0.362 173 HG23 THR 25 3HG2 THR 25 -4.504 5.470 0.313 174 H GLY 26 H GLY 26 -7.085 5.007 1.035 175 HA2 GLY 26 2HA GLY 26 -6.499 2.247 1.824 176 HA3 GLY 26 1HA GLY 26 -8.134 2.837 2.109 177 H GLY 27 H GLY 27 -7.829 0.695 0.470 178 HA2 GLY 27 2HA GLY 27 -9.265 1.244 -1.787 179 HA3 GLY 27 1HA GLY 27 -7.592 1.453 -2.298 180 H ALA 28 H ALA 28 -7.637 -0.326 -3.693 181 HA ALA 28 HA ALA 28 -7.485 -2.930 -2.323 182 HB1 ALA 28 1HB ALA 28 -8.638 -3.057 -5.020 183 HB2 ALA 28 2HB ALA 28 -9.667 -2.243 -3.841 184 HB3 ALA 28 3HB ALA 28 -9.121 -3.893 -3.545 185 H THR 29 H THR 29 -6.520 -4.613 -3.852 186 HA THR 29 HA THR 29 -4.603 -3.415 -5.738 187 HB THR 29 HB THR 29 -2.924 -3.742 -4.280 188 HG1 THR 29 1HG THR 29 -2.863 -5.720 -5.523 189 HG21 THR 29 1HG2 THR 29 -3.287 -4.953 -2.115 190 HG22 THR 29 2HG2 THR 29 -4.914 -5.358 -2.665 191 HG23 THR 29 3HG2 THR 29 -4.464 -3.673 -2.407 192 H TYR 30 H TYR 30 -3.818 -4.858 -7.333 193 HA TYR 30 HA TYR 30 -5.570 -7.196 -7.744 194 HB2 TYR 30 2HB TYR 30 -4.309 -5.205 -9.530 195 HB3 TYR 30 1HB TYR 30 -4.297 -6.867 -10.119 196 HD1 TYR 30 1HD TYR 30 -6.223 -7.785 -11.101 197 HD2 TYR 30 2HD TYR 30 -6.568 -4.299 -8.613 198 HE1 TYR 30 1HE TYR 30 -8.619 -7.591 -11.706 199 HE2 TYR 30 2HE TYR 30 -8.965 -4.105 -9.218 200 HH TYR 30 HH TYR 30 -10.403 -4.897 -11.303 201 H GLN 31 H GLN 31 -4.752 -9.181 -7.588 202 HA GLN 31 HA GLN 31 -1.834 -9.481 -7.354 203 HB2 GLN 31 2HB GLN 31 -3.663 -10.383 -5.661 204 HB3 GLN 31 1HB GLN 31 -3.731 -11.722 -6.809 205 HG2 GLN 31 2HG GLN 31 -1.108 -11.629 -6.631 206 HG3 GLN 31 1HG GLN 31 -1.434 -10.801 -5.109 207 HE21 GLN 31 1HE2 GLN 31 -1.320 -13.901 -6.644 208 HE22 GLN 31 2HE2 GLN 31 -1.941 -14.800 -5.346 209 H LEU 32 H LEU 32 -1.059 -9.649 -9.410 210 HA LEU 32 HA LEU 32 -2.373 -11.465 -11.298 211 HB2 LEU 32 2HB LEU 32 -0.508 -9.192 -11.489 212 HB3 LEU 32 1HB LEU 32 -0.169 -10.518 -12.601 213 HG LEU 32 HG LEU 32 -2.470 -10.454 -13.429 214 HD11 LEU 32 1HD1 LEU 32 -3.963 -9.761 -11.850 215 HD12 LEU 32 2HD1 LEU 32 -3.635 -8.162 -12.516 216 HD13 LEU 32 3HD1 LEU 32 -2.792 -8.704 -11.065 217 HD21 LEU 32 1HD2 LEU 32 -0.578 -8.765 -14.156 218 HD22 LEU 32 2HD2 LEU 32 -1.629 -7.570 -13.396 219 HD23 LEU 32 3HD2 LEU 32 -2.227 -8.540 -14.742 220 H SER 33 H SER 33 0.583 -11.128 -9.422 221 HA SER 33 HA SER 33 1.100 -13.944 -9.564 222 HB2 SER 33 2HB SER 33 3.546 -12.904 -10.527 223 HB3 SER 33 1HB SER 33 2.449 -14.010 -11.347 224 HG SER 33 HG SER 33 2.786 -12.093 -12.547 225 HA PRO 34 HA PRO 34 3.257 -13.016 -5.844 226 HB2 PRO 34 2HB PRO 34 5.300 -14.842 -5.842 227 HB3 PRO 34 1HB PRO 34 3.606 -15.266 -5.526 228 HG2 PRO 34 2HG PRO 34 5.207 -15.586 -8.012 229 HG3 PRO 34 1HG PRO 34 3.989 -16.661 -7.303 230 HD2 PRO 34 2HD PRO 34 3.463 -15.000 -9.420 231 HD3 PRO 34 1HD PRO 34 2.225 -15.515 -8.252 232 H TYR 35 H TYR 35 4.733 -12.530 -8.837 233 HA TYR 35 HA TYR 35 7.303 -11.621 -7.850 234 HB2 TYR 35 2HB TYR 35 6.067 -12.136 -10.445 235 HB3 TYR 35 1HB TYR 35 7.019 -10.651 -10.429 236 HD1 TYR 35 1HD TYR 35 9.218 -10.957 -11.151 237 HD2 TYR 35 2HD TYR 35 7.317 -14.048 -8.850 238 HE1 TYR 35 1HE TYR 35 11.299 -12.300 -11.236 239 HE2 TYR 35 2HE TYR 35 9.399 -15.390 -8.936 240 HH TYR 35 HH TYR 35 12.041 -14.667 -9.265 241 H ILE 36 H ILE 36 5.121 -9.851 -10.009 242 HA ILE 36 HA ILE 36 5.644 -7.420 -8.429 243 HB ILE 36 HB ILE 36 4.568 -7.728 -11.243 244 HG12 ILE 36 2HG1 ILE 36 7.073 -6.374 -11.107 245 HG13 ILE 36 1HG1 ILE 36 7.229 -7.858 -10.167 246 HG21 ILE 36 1HG2 ILE 36 5.185 -5.363 -9.476 247 HG22 ILE 36 2HG2 ILE 36 3.744 -5.668 -10.446 248 HG23 ILE 36 3HG2 ILE 36 5.258 -5.222 -11.232 249 HD11 ILE 36 1HD1 ILE 36 6.273 -9.130 -12.093 250 HD12 ILE 36 2HD1 ILE 36 7.791 -8.327 -12.493 251 HD13 ILE 36 3HD1 ILE 36 6.261 -7.638 -13.032 252 H MET 37 H MET 37 3.966 -6.060 -7.778 253 HA MET 37 HA MET 37 1.233 -7.172 -7.977 254 HB2 MET 37 2HB MET 37 2.642 -7.307 -5.684 255 HB3 MET 37 1HB MET 37 1.954 -5.692 -5.511 256 HG2 MET 37 2HG MET 37 0.296 -7.060 -4.566 257 HG3 MET 37 1HG MET 37 -0.285 -6.826 -6.215 258 HE1 MET 37 1HE MET 37 1.452 -8.984 -3.661 259 HE2 MET 37 2HE MET 37 0.868 -10.594 -4.072 260 HE3 MET 37 3HE MET 37 -0.283 -9.331 -3.646 261 H VAL 38 H VAL 38 -0.459 -5.643 -7.944 262 HA VAL 38 HA VAL 38 0.398 -2.912 -8.676 263 HB VAL 38 HB VAL 38 -2.359 -3.935 -9.210 264 HG11 VAL 38 1HG1 VAL 38 -2.115 -2.479 -11.169 265 HG12 VAL 38 2HG1 VAL 38 -0.422 -2.196 -10.769 266 HG13 VAL 38 3HG1 VAL 38 -1.691 -1.591 -9.706 267 HG21 VAL 38 1HG2 VAL 38 0.182 -4.781 -10.607 268 HG22 VAL 38 2HG2 VAL 38 -1.362 -4.742 -11.459 269 HG23 VAL 38 3HG2 VAL 38 -1.154 -5.791 -10.056 270 H LYS 39 H LYS 39 -0.516 -1.136 -7.695 271 HA LYS 39 HA LYS 39 -2.471 -1.614 -5.541 272 HB2 LYS 39 2HB LYS 39 -0.064 -1.496 -4.680 273 HB3 LYS 39 1HB LYS 39 -0.091 0.201 -5.163 274 HG2 LYS 39 2HG LYS 39 -2.056 0.591 -3.736 275 HG3 LYS 39 1HG LYS 39 -2.061 -1.108 -3.265 276 HD2 LYS 39 2HD LYS 39 0.481 0.413 -2.897 277 HD3 LYS 39 1HD LYS 39 -0.842 0.749 -1.778 278 HE2 LYS 39 2HE LYS 39 -0.883 -1.447 -0.960 279 HE3 LYS 39 1HE LYS 39 -0.066 -2.093 -2.384 280 HZ1 LYS 39 1HZ LYS 39 1.971 -1.197 -1.701 281 HZ2 LYS 39 2HZ LYS 39 1.305 -1.876 -0.293 282 HZ3 LYS 39 3HZ LYS 39 1.251 -0.194 -0.537 283 H ALA 40 H ALA 40 -4.110 -0.218 -5.613 284 HA ALA 40 HA ALA 40 -3.688 2.476 -6.693 285 HB1 ALA 40 1HB ALA 40 -5.241 2.323 -8.397 286 HB2 ALA 40 2HB ALA 40 -6.093 0.976 -7.645 287 HB3 ALA 40 3HB ALA 40 -4.549 0.702 -8.452 288 H GLY 41 H GLY 41 -4.696 3.952 -5.484 289 HA2 GLY 41 2HA GLY 41 -7.269 3.532 -4.295 290 HA3 GLY 41 1HA GLY 41 -5.980 3.445 -3.098 291 H TYR 42 H TYR 42 -7.357 5.365 -2.345 292 HA TYR 42 HA TYR 42 -6.048 7.810 -3.308 293 HB2 TYR 42 2HB TYR 42 -8.129 9.037 -3.437 294 HB3 TYR 42 1HB TYR 42 -8.248 7.618 -4.480 295 HD1 TYR 42 1HD TYR 42 -9.464 9.238 -1.433 296 HD2 TYR 42 2HD TYR 42 -9.564 5.640 -3.776 297 HE1 TYR 42 1HE TYR 42 -11.452 8.469 -0.166 298 HE2 TYR 42 2HE TYR 42 -11.551 4.870 -2.510 299 HH TYR 42 HH TYR 42 -12.464 5.464 0.015 300 H GLY 43 H GLY 43 -6.018 9.510 -1.763 301 HA2 GLY 43 2HA GLY 43 -7.109 9.021 0.893 302 HA3 GLY 43 1HA GLY 43 -5.352 9.018 0.782 303 H TRP 44 H TRP 44 -7.016 10.877 2.255 304 HA TRP 44 HA TRP 44 -5.808 13.328 1.370 305 HB2 TRP 44 2HB TRP 44 -7.809 13.163 -0.131 306 HB3 TRP 44 1HB TRP 44 -8.830 13.192 1.308 307 HD1 TRP 44 HD TRP 44 -9.593 15.499 2.025 308 HE1 TRP 44 1HE TRP 44 -8.766 17.916 1.674 309 HE3 TRP 44 3HE TRP 44 -5.297 14.591 -0.584 310 HZ2 TRP 44 2HZ TRP 44 -6.572 19.283 0.448 311 HZ3 TRP 44 3HZ TRP 44 -3.860 16.467 -1.330 312 HH2 TRP 44 HH TRP 44 -4.490 18.809 -0.817 313 H ASN 45 H ASN 45 -6.459 15.170 2.823 314 HA ASN 45 HA ASN 45 -6.840 14.128 5.550 315 HB2 ASN 45 2HB ASN 45 -5.836 16.853 4.704 316 HB3 ASN 45 1HB ASN 45 -5.766 16.146 6.318 317 HD21 ASN 45 1HD2 ASN 45 -3.486 17.021 4.558 318 HD22 ASN 45 2HD2 ASN 45 -2.514 15.641 4.369 319 H ASN 46 H ASN 46 -9.121 14.367 3.895 320 HA ASN 46 HA ASN 46 -11.196 15.375 3.749 321 HB2 ASN 46 2HB ASN 46 -11.234 14.339 5.998 322 HB3 ASN 46 1HB ASN 46 -10.618 15.842 6.684 323 HD21 ASN 46 1HD2 ASN 46 -12.084 17.656 6.843 324 HD22 ASN 46 2HD2 ASN 46 -13.746 17.497 6.538 325 H SER 47 H SER 47 -10.310 17.123 2.413 326 HA SER 47 HA SER 47 -11.143 19.667 3.299 327 HB2 SER 47 2HB SER 47 -8.820 20.745 3.205 328 HB3 SER 47 1HB SER 47 -9.217 19.835 4.661 329 HG SER 47 HG SER 47 -8.243 18.084 3.006 330 H SER 48 H SER 48 -12.048 18.788 1.145 331 HA SER 48 HA SER 48 -12.239 19.009 -1.133 332 HB2 SER 48 2HB SER 48 -11.876 21.417 -0.439 333 HB3 SER 48 1HB SER 48 -10.177 21.200 -0.849 334 HG SER 48 HG SER 48 -11.098 21.919 -2.690 335 H LEU 49 H LEU 49 -10.790 19.237 -3.230 336 HA LEU 49 HA LEU 49 -9.341 18.038 -4.565 337 HB2 LEU 49 2HB LEU 49 -7.291 18.500 -2.411 338 HB3 LEU 49 1HB LEU 49 -7.075 18.506 -4.163 339 HG LEU 49 HG LEU 49 -8.547 20.573 -2.507 340 HD11 LEU 49 1HD1 LEU 49 -6.819 22.082 -3.305 341 HD12 LEU 49 2HD1 LEU 49 -6.136 20.819 -4.329 342 HD13 LEU 49 3HD1 LEU 49 -6.039 20.680 -2.574 343 HD21 LEU 49 1HD2 LEU 49 -8.640 21.691 -4.868 344 HD22 LEU 49 2HD2 LEU 49 -9.830 20.451 -4.473 345 HD23 LEU 49 3HD2 LEU 49 -8.434 20.048 -5.471 346 H ASN 50 H ASN 50 -7.267 16.373 -4.174 347 HA ASN 50 HA ASN 50 -7.627 14.460 -2.096 348 HB2 ASN 50 2HB ASN 50 -9.431 14.236 -4.282 349 HB3 ASN 50 1HB ASN 50 -8.272 12.914 -4.413 350 HD21 ASN 50 1HD2 ASN 50 -8.133 11.389 -2.587 351 HD22 ASN 50 2HD2 ASN 50 -9.393 11.285 -1.454 352 H ARG 51 H ARG 51 -6.498 12.287 -2.838 353 HA ARG 51 HA ARG 51 -4.252 12.886 -4.645 354 HB2 ARG 51 2HB ARG 51 -3.591 13.366 -2.262 355 HB3 ARG 51 1HB ARG 51 -3.873 11.661 -1.907 356 HG2 ARG 51 2HG ARG 51 -2.213 11.016 -3.604 357 HG3 ARG 51 1HG ARG 51 -1.943 12.714 -3.997 358 HD2 ARG 51 2HD ARG 51 -1.683 11.983 -1.132 359 HD3 ARG 51 1HD ARG 51 -0.437 11.356 -2.205 360 HE ARG 51 HE ARG 51 -0.680 14.029 -2.860 361 HH11 ARG 51 1HH1 ARG 51 0.638 15.613 -1.904 362 HH12 ARG 51 2HH1 ARG 51 1.358 15.316 -0.358 363 HH21 ARG 51 1HH2 ARG 51 -0.021 12.151 -0.028 364 HH22 ARG 51 2HH2 ARG 51 0.985 13.355 0.705 365 H PHE 52 H PHE 52 -4.220 11.334 -6.129 366 HA PHE 52 HA PHE 52 -5.216 8.652 -5.421 367 HB2 PHE 52 2HB PHE 52 -5.567 10.327 -7.696 368 HB3 PHE 52 1HB PHE 52 -4.661 8.902 -8.211 369 HD1 PHE 52 1HD PHE 52 -5.631 6.682 -8.114 370 HD2 PHE 52 2HD PHE 52 -7.805 10.099 -6.683 371 HE1 PHE 52 1HE PHE 52 -7.707 5.326 -8.030 372 HE2 PHE 52 2HE PHE 52 -9.880 8.744 -6.600 373 HZ PHE 52 HZ PHE 52 -9.831 6.358 -7.273 374 H GLU 53 H GLU 53 -3.776 7.105 -5.044 375 HA GLU 53 HA GLU 53 -0.999 7.487 -5.909 376 HB2 GLU 53 2HB GLU 53 -1.831 5.145 -4.264 377 HB3 GLU 53 1HB GLU 53 -0.375 6.136 -4.159 378 HG2 GLU 53 2HG GLU 53 -2.029 8.032 -3.439 379 HG3 GLU 53 1HG GLU 53 -3.123 6.699 -3.076 380 H PHE 54 H PHE 54 -0.070 6.312 -7.476 381 HA PHE 54 HA PHE 54 -1.387 3.843 -8.388 382 HB2 PHE 54 2HB PHE 54 -1.475 6.293 -9.793 383 HB3 PHE 54 1HB PHE 54 -0.325 5.265 -10.650 384 HD1 PHE 54 1HD PHE 54 -1.090 3.542 -12.055 385 HD2 PHE 54 2HD PHE 54 -3.748 5.234 -9.136 386 HE1 PHE 54 1HE PHE 54 -2.965 2.224 -12.999 387 HE2 PHE 54 2HE PHE 54 -5.624 3.916 -10.081 388 HZ PHE 54 HZ PHE 54 -5.233 2.410 -12.013 389 H GLY 55 H GLY 55 0.059 2.255 -8.373 390 HA2 GLY 55 2HA GLY 55 2.573 2.370 -9.653 391 HA3 GLY 55 1HA GLY 55 2.807 2.577 -7.920 392 H GLY 56 H GLY 56 3.877 0.598 -7.675 393 HA2 GLY 56 2HA GLY 56 2.089 -1.721 -7.566 394 HA3 GLY 56 1HA GLY 56 3.548 -1.874 -8.539 395 H GLY 57 H GLY 57 2.977 -3.484 -6.286 396 HA2 GLY 57 2HA GLY 57 4.830 -2.485 -4.219 397 HA3 GLY 57 1HA GLY 57 3.645 -3.768 -3.992 398 H LEU 58 H LEU 58 6.171 -4.262 -3.174 399 HA LEU 58 HA LEU 58 7.096 -6.253 -5.140 400 HB2 LEU 58 2HB LEU 58 8.531 -3.912 -4.297 401 HB3 LEU 58 1HB LEU 58 9.369 -5.352 -3.718 402 HG LEU 58 HG LEU 58 8.431 -4.961 -6.574 403 HD11 LEU 58 1HD1 LEU 58 10.757 -3.951 -5.162 404 HD12 LEU 58 2HD1 LEU 58 10.246 -3.646 -6.823 405 HD13 LEU 58 3HD1 LEU 58 11.239 -5.055 -6.452 406 HD21 LEU 58 1HD2 LEU 58 10.577 -6.844 -6.166 407 HD22 LEU 58 2HD2 LEU 58 8.973 -7.133 -6.842 408 HD23 LEU 58 3HD2 LEU 58 9.230 -7.252 -5.101 409 H GLN 59 H GLN 59 7.359 -8.216 -4.284 410 HA GLN 59 HA GLN 59 7.815 -8.468 -1.381 411 HB2 GLN 59 2HB GLN 59 6.214 -10.452 -1.459 412 HB3 GLN 59 1HB GLN 59 5.473 -8.854 -1.556 413 HG2 GLN 59 2HG GLN 59 5.381 -9.045 -4.015 414 HG3 GLN 59 1HG GLN 59 6.116 -10.644 -3.917 415 HE21 GLN 59 1HE2 GLN 59 4.194 -11.691 -4.815 416 HE22 GLN 59 2HE2 GLN 59 2.769 -11.836 -3.906 417 H TYR 60 H TYR 60 8.542 -10.697 -0.784 418 HA TYR 60 HA TYR 60 9.947 -12.051 -3.003 419 HB2 TYR 60 2HB TYR 60 11.107 -10.680 -0.709 420 HB3 TYR 60 1HB TYR 60 11.603 -12.371 -0.796 421 HD1 TYR 60 1HD TYR 60 11.860 -9.076 -2.321 422 HD2 TYR 60 2HD TYR 60 12.663 -13.257 -2.887 423 HE1 TYR 60 1HE TYR 60 13.416 -8.526 -4.172 424 HE2 TYR 60 2HE TYR 60 14.220 -12.708 -4.738 425 HH TYR 60 HH TYR 60 14.312 -10.382 -6.431 426 H LYS 61 H LYS 61 10.716 -14.252 -2.352 427 HA LYS 61 HA LYS 61 8.678 -15.541 -0.645 428 HB2 LYS 61 2HB LYS 61 10.328 -17.252 -2.378 429 HB3 LYS 61 1HB LYS 61 8.580 -17.233 -2.143 430 HG2 LYS 61 2HG LYS 61 8.492 -15.128 -3.526 431 HG3 LYS 61 1HG LYS 61 10.201 -15.362 -3.886 432 HD2 LYS 61 2HD LYS 61 9.725 -17.537 -4.898 433 HD3 LYS 61 1HD LYS 61 8.020 -17.384 -4.473 434 HE2 LYS 61 2HE LYS 61 8.774 -15.013 -5.864 435 HE3 LYS 61 1HE LYS 61 9.359 -16.389 -6.800 436 HZ1 LYS 61 1HZ LYS 61 7.297 -16.955 -7.354 437 HZ2 LYS 61 2HZ LYS 61 6.804 -15.440 -6.763 438 HZ3 LYS 61 3HZ LYS 61 6.730 -16.811 -5.763 439 H VAL 62 H VAL 62 9.456 -15.847 1.352 440 HA VAL 62 HA VAL 62 12.057 -17.201 1.621 441 HB VAL 62 HB VAL 62 11.219 -15.007 3.511 442 HG11 VAL 62 1HG1 VAL 62 14.017 -15.893 2.883 443 HG12 VAL 62 2HG1 VAL 62 13.016 -16.889 3.939 444 HG13 VAL 62 3HG1 VAL 62 13.372 -15.219 4.379 445 HG21 VAL 62 1HG2 VAL 62 12.844 -14.840 0.960 446 HG22 VAL 62 2HG2 VAL 62 12.946 -13.629 2.237 447 HG23 VAL 62 3HG2 VAL 62 11.421 -13.892 1.394 448 H THR 63 H THR 63 9.049 -16.195 3.227 449 HA THR 63 HA THR 63 8.958 -18.819 4.549 450 HB THR 63 HB THR 63 9.180 -17.938 6.604 451 HG1 THR 63 1HG THR 63 7.690 -16.353 7.288 452 HG21 THR 63 1HG2 THR 63 9.943 -15.608 6.835 453 HG22 THR 63 2HG2 THR 63 9.433 -15.273 5.180 454 HG23 THR 63 3HG2 THR 63 10.754 -16.402 5.484 455 HA PRO 64 HA PRO 64 4.682 -19.203 3.613 456 HB2 PRO 64 2HB PRO 64 3.983 -18.539 6.450 457 HB3 PRO 64 1HB PRO 64 3.411 -19.874 5.432 458 HG2 PRO 64 2HG PRO 64 5.267 -20.238 7.315 459 HG3 PRO 64 1HG PRO 64 5.290 -21.133 5.787 460 HD2 PRO 64 2HD PRO 64 7.091 -18.974 6.711 461 HD3 PRO 64 1HD PRO 64 7.375 -20.234 5.492 462 H ASP 65 H ASP 65 5.900 -16.329 5.063 463 HA ASP 65 HA ASP 65 4.571 -14.519 3.484 464 HB2 ASP 65 2HB ASP 65 2.903 -13.648 5.336 465 HB3 ASP 65 1HB ASP 65 2.413 -14.909 4.212 466 H LEU 66 H LEU 66 6.926 -14.069 4.026 467 HA LEU 66 HA LEU 66 6.997 -11.845 5.883 468 HB2 LEU 66 2HB LEU 66 7.914 -14.406 6.746 469 HB3 LEU 66 1HB LEU 66 9.322 -13.366 6.525 470 HG LEU 66 HG LEU 66 6.846 -12.597 8.097 471 HD11 LEU 66 1HD1 LEU 66 9.192 -14.173 8.797 472 HD12 LEU 66 2HD1 LEU 66 7.733 -13.866 9.739 473 HD13 LEU 66 3HD1 LEU 66 9.073 -12.720 9.790 474 HD21 LEU 66 1HD2 LEU 66 9.006 -11.086 6.989 475 HD22 LEU 66 2HD2 LEU 66 9.205 -11.108 8.740 476 HD23 LEU 66 3HD2 LEU 66 7.704 -10.515 8.032 477 H GLU 67 H GLU 67 7.724 -10.385 4.449 478 HA GLU 67 HA GLU 67 10.403 -10.634 3.439 479 HB2 GLU 67 2HB GLU 67 9.495 -10.240 1.007 480 HB3 GLU 67 1HB GLU 67 9.586 -11.881 1.648 481 HG2 GLU 67 2HG GLU 67 7.090 -10.303 2.140 482 HG3 GLU 67 1HG GLU 67 7.351 -10.966 0.529 483 HA PRO 68 HA PRO 68 10.059 -6.228 3.679 484 HB2 PRO 68 2HB PRO 68 11.711 -5.457 1.585 485 HB3 PRO 68 1HB PRO 68 12.276 -5.924 3.200 486 HG2 PRO 68 2HG PRO 68 12.205 -7.507 0.688 487 HG3 PRO 68 1HG PRO 68 13.406 -7.501 1.991 488 HD2 PRO 68 2HD PRO 68 11.566 -9.484 1.728 489 HD3 PRO 68 1HD PRO 68 12.184 -8.966 3.310 490 H TYR 69 H TYR 69 8.998 -4.454 2.692 491 HA TYR 69 HA TYR 69 7.590 -5.095 0.165 492 HB2 TYR 69 2HB TYR 69 6.357 -4.803 2.523 493 HB3 TYR 69 1HB TYR 69 6.439 -3.107 2.049 494 HD1 TYR 69 1HD TYR 69 5.349 -6.480 0.896 495 HD2 TYR 69 2HD TYR 69 5.015 -2.231 0.367 496 HE1 TYR 69 1HE TYR 69 3.464 -6.825 -0.680 497 HE2 TYR 69 2HE TYR 69 3.129 -2.575 -1.207 498 HH TYR 69 HH TYR 69 2.141 -5.829 -2.204 499 H ALA 70 H ALA 70 7.781 -3.712 -1.474 500 HA ALA 70 HA ALA 70 8.858 -1.011 -0.937 501 HB1 ALA 70 1HB ALA 70 10.773 -1.739 -1.898 502 HB2 ALA 70 2HB ALA 70 9.872 -1.600 -3.408 503 HB3 ALA 70 3HB ALA 70 9.994 -3.160 -2.594 504 H TRP 71 H TRP 71 7.767 0.586 -1.907 505 HA TRP 71 HA TRP 71 5.939 -0.102 -4.129 506 HB2 TRP 71 2HB TRP 71 4.237 0.393 -2.746 507 HB3 TRP 71 1HB TRP 71 5.330 1.027 -1.515 508 HD1 TRP 71 HD TRP 71 6.031 3.613 -1.703 509 HE1 TRP 71 1HE TRP 71 4.836 5.613 -2.808 510 HE3 TRP 71 3HE TRP 71 2.726 1.125 -4.698 511 HZ2 TRP 71 2HZ TRP 71 2.755 6.094 -4.710 512 HZ3 TRP 71 3HZ TRP 71 1.151 2.377 -6.143 513 HH2 TRP 71 HH TRP 71 1.161 4.855 -6.154 514 H ALA 72 H ALA 72 6.048 1.192 -5.865 515 HA ALA 72 HA ALA 72 7.366 3.815 -5.606 516 HB1 ALA 72 1HB ALA 72 9.188 2.738 -6.498 517 HB2 ALA 72 2HB ALA 72 8.330 3.112 -7.993 518 HB3 ALA 72 3HB ALA 72 8.208 1.502 -7.285 519 H GLY 73 H GLY 73 6.586 5.393 -6.961 520 HA2 GLY 73 2HA GLY 73 5.216 5.212 -9.320 521 HA3 GLY 73 1HA GLY 73 3.978 4.946 -8.095 522 H ALA 74 H ALA 74 3.034 6.945 -8.946 523 HA ALA 74 HA ALA 74 4.196 9.298 -7.605 524 HB1 ALA 74 1HB ALA 74 4.575 9.142 -10.198 525 HB2 ALA 74 2HB ALA 74 4.049 10.664 -9.478 526 HB3 ALA 74 3HB ALA 74 2.878 9.616 -10.278 527 H THR 75 H THR 75 2.647 10.962 -7.115 528 HA THR 75 HA THR 75 -0.041 9.852 -6.681 529 HB THR 75 HB THR 75 -0.234 11.263 -4.849 530 HG1 THR 75 1HG THR 75 1.748 12.877 -6.074 531 HG21 THR 75 1HG2 THR 75 1.922 9.711 -4.900 532 HG22 THR 75 2HG2 THR 75 1.631 10.814 -3.556 533 HG23 THR 75 3HG2 THR 75 2.756 11.264 -4.837 534 H TYR 76 H TYR 76 -1.511 10.350 -8.170 535 HA TYR 76 HA TYR 76 -1.244 12.840 -9.701 536 HB2 TYR 76 2HB TYR 76 -1.593 10.910 -11.072 537 HB3 TYR 76 1HB TYR 76 -2.946 10.371 -10.077 538 HD1 TYR 76 1HD TYR 76 -5.136 11.396 -10.255 539 HD2 TYR 76 2HD TYR 76 -1.821 12.870 -12.554 540 HE1 TYR 76 1HE TYR 76 -6.695 12.730 -11.648 541 HE2 TYR 76 2HE TYR 76 -3.380 14.205 -13.947 542 HH TYR 76 HH TYR 76 -6.903 14.033 -13.438 543 H ASN 77 H ASN 77 -2.156 14.551 -8.739 544 HA ASN 77 HA ASN 77 -4.547 14.229 -7.095 545 HB2 ASN 77 2HB ASN 77 -3.460 16.928 -7.666 546 HB3 ASN 77 1HB ASN 77 -3.997 16.226 -6.139 547 HD21 ASN 77 1HD2 ASN 77 -1.302 17.514 -7.268 548 HD22 ASN 77 2HD2 ASN 77 -0.128 16.463 -6.640 549 H THR 78 H THR 78 -6.508 15.297 -7.492 550 HA THR 78 HA THR 78 -7.501 15.248 -10.079 551 HB THR 78 HB THR 78 -9.343 16.708 -9.180 552 HG1 THR 78 1HG THR 78 -7.895 17.836 -7.725 553 HG21 THR 78 1HG2 THR 78 -9.474 14.295 -8.928 554 HG22 THR 78 2HG2 THR 78 -10.041 15.052 -7.440 555 HG23 THR 78 3HG2 THR 78 -8.423 14.354 -7.511 556 H ASP 79 H ASP 79 -5.415 17.537 -8.668 557 HA ASP 79 HA ASP 79 -6.194 19.758 -10.366 558 HB2 ASP 79 2HB ASP 79 -3.768 19.393 -8.592 559 HB3 ASP 79 1HB ASP 79 -4.267 20.900 -9.359 560 H ASN 80 H ASN 80 -5.359 17.170 -11.573 561 HA ASN 80 HA ASN 80 -3.990 16.360 -13.242 562 HB2 ASN 80 2HB ASN 80 -3.583 19.188 -14.143 563 HB3 ASN 80 1HB ASN 80 -3.887 17.744 -15.105 564 HD21 ASN 80 1HD2 ASN 80 -5.424 20.316 -13.258 565 HD22 ASN 80 2HD2 ASN 80 -7.019 19.901 -13.661 566 H THR 81 H THR 81 -2.667 16.945 -10.769 567 HA THR 81 HA THR 81 0.016 17.737 -11.748 568 HB THR 81 HB THR 81 0.356 18.119 -9.169 569 HG1 THR 81 1HG THR 81 -1.466 18.513 -8.081 570 HG21 THR 81 1HG2 THR 81 -0.629 20.473 -9.510 571 HG22 THR 81 2HG2 THR 81 -1.095 19.910 -11.116 572 HG23 THR 81 3HG2 THR 81 0.607 19.947 -10.655 573 H LEU 82 H LEU 82 1.733 16.427 -11.286 574 HA LEU 82 HA LEU 82 1.140 13.883 -9.892 575 HB2 LEU 82 2HB LEU 82 2.889 12.892 -11.434 576 HB3 LEU 82 1HB LEU 82 1.377 13.363 -12.213 577 HG LEU 82 HG LEU 82 3.372 15.523 -12.080 578 HD11 LEU 82 1HD1 LEU 82 3.896 13.005 -13.685 579 HD12 LEU 82 2HD1 LEU 82 4.937 13.704 -12.446 580 HD13 LEU 82 3HD1 LEU 82 4.701 14.548 -13.977 581 HD21 LEU 82 1HD2 LEU 82 1.220 15.581 -13.350 582 HD22 LEU 82 2HD2 LEU 82 1.822 14.276 -14.372 583 HD23 LEU 82 3HD2 LEU 82 2.622 15.848 -14.384 584 H VAL 83 H VAL 83 2.765 13.023 -8.586 585 HA VAL 83 HA VAL 83 5.184 14.657 -8.192 586 HB VAL 83 HB VAL 83 3.560 13.654 -5.861 587 HG11 VAL 83 1HG1 VAL 83 6.139 14.575 -6.042 588 HG12 VAL 83 2HG1 VAL 83 5.145 14.675 -4.589 589 HG13 VAL 83 3HG1 VAL 83 5.258 16.058 -5.678 590 HG21 VAL 83 1HG2 VAL 83 2.874 16.116 -5.676 591 HG22 VAL 83 2HG2 VAL 83 2.079 15.186 -6.947 592 HG23 VAL 83 3HG2 VAL 83 3.399 16.283 -7.352 593 HA PRO 84 HA PRO 84 6.167 10.123 -8.574 594 HB2 PRO 84 2HB PRO 84 8.808 11.366 -9.165 595 HB3 PRO 84 1HB PRO 84 7.947 10.079 -10.029 596 HG2 PRO 84 2HG PRO 84 8.105 12.561 -10.996 597 HG3 PRO 84 1HG PRO 84 6.668 11.553 -11.228 598 HD2 PRO 84 2HD PRO 84 7.060 13.878 -9.396 599 HD3 PRO 84 1HD PRO 84 5.584 13.323 -10.219 600 H ALA 85 H ALA 85 6.979 8.870 -6.952 601 HA ALA 85 HA ALA 85 9.102 9.729 -5.223 602 HB1 ALA 85 1HB ALA 85 6.270 9.689 -4.165 603 HB2 ALA 85 2HB ALA 85 7.395 11.047 -4.163 604 HB3 ALA 85 3HB ALA 85 7.697 9.648 -3.131 605 H ALA 86 H ALA 86 9.233 8.123 -3.280 606 HA ALA 86 HA ALA 86 8.163 5.479 -3.921 607 HB1 ALA 86 1HB ALA 86 10.324 5.719 -5.182 608 HB2 ALA 86 2HB ALA 86 10.320 4.408 -4.002 609 HB3 ALA 86 3HB ALA 86 11.141 5.925 -3.632 610 H GLY 87 H GLY 87 8.984 3.862 -2.200 611 HA2 GLY 87 2HA GLY 87 9.791 4.933 0.342 612 HA3 GLY 87 1HA GLY 87 8.076 4.538 0.296 613 H ALA 88 H ALA 88 9.597 3.207 2.081 614 HA ALA 88 HA ALA 88 9.648 0.484 0.959 615 HB1 ALA 88 1HB ALA 88 11.774 0.013 1.664 616 HB2 ALA 88 2HB ALA 88 11.697 1.153 3.008 617 HB3 ALA 88 3HB ALA 88 11.978 1.740 1.369 618 H GLY 89 H GLY 89 9.253 -1.180 2.500 619 HA2 GLY 89 2HA GLY 89 8.596 -0.473 5.237 620 HA3 GLY 89 1HA GLY 89 7.211 -0.908 4.241 621 H PHE 90 H PHE 90 7.009 -2.661 5.855 622 HA PHE 90 HA PHE 90 8.505 -5.023 4.948 623 HB2 PHE 90 2HB PHE 90 8.323 -3.996 7.767 624 HB3 PHE 90 1HB PHE 90 8.504 -5.721 7.453 625 HD1 PHE 90 1HD PHE 90 10.033 -2.383 6.844 626 HD2 PHE 90 2HD PHE 90 10.589 -6.641 6.754 627 HE1 PHE 90 1HE PHE 90 12.460 -2.057 6.451 628 HE2 PHE 90 2HE PHE 90 13.016 -6.317 6.362 629 HZ PHE 90 HZ PHE 90 13.951 -4.024 6.211 630 H ARG 91 H ARG 91 7.357 -6.937 5.038 631 HA ARG 91 HA ARG 91 4.487 -6.668 5.705 632 HB2 ARG 91 2HB ARG 91 5.088 -7.091 3.292 633 HB3 ARG 91 1HB ARG 91 5.741 -8.650 3.798 634 HG2 ARG 91 2HG ARG 91 3.561 -9.306 4.698 635 HG3 ARG 91 1HG ARG 91 2.894 -7.727 4.284 636 HD2 ARG 91 2HD ARG 91 4.193 -8.951 1.992 637 HD3 ARG 91 1HD ARG 91 2.941 -10.001 2.647 638 HE ARG 91 HE ARG 91 2.503 -7.607 1.189 639 HH11 ARG 91 1HH1 ARG 91 0.384 -6.795 1.089 640 HH12 ARG 91 2HH1 ARG 91 -0.789 -7.304 2.260 641 HH21 ARG 91 1HH2 ARG 91 1.412 -9.387 3.946 642 HH22 ARG 91 2HH2 ARG 91 -0.207 -8.772 3.876 643 H TYR 92 H TYR 92 4.106 -7.546 7.634 644 HA TYR 92 HA TYR 92 5.406 -10.119 8.302 645 HB2 TYR 92 2HB TYR 92 6.080 -8.306 9.815 646 HB3 TYR 92 1HB TYR 92 4.384 -7.965 10.168 647 HD1 TYR 92 1HD TYR 92 6.864 -10.778 10.209 648 HD2 TYR 92 2HD TYR 92 3.337 -9.057 11.959 649 HE1 TYR 92 1HE TYR 92 6.877 -12.533 11.961 650 HE2 TYR 92 2HE TYR 92 3.351 -10.813 13.711 651 HH TYR 92 HH TYR 92 5.976 -12.735 14.363 652 H LYS 93 H LYS 93 4.140 -11.764 9.153 653 HA LYS 93 HA LYS 93 1.279 -11.526 8.569 654 HB2 LYS 93 2HB LYS 93 2.429 -13.452 7.625 655 HB3 LYS 93 1HB LYS 93 3.004 -13.928 9.224 656 HG2 LYS 93 2HG LYS 93 0.098 -13.533 9.116 657 HG3 LYS 93 1HG LYS 93 0.665 -14.813 8.045 658 HD2 LYS 93 2HD LYS 93 1.741 -15.969 9.853 659 HD3 LYS 93 1HD LYS 93 1.498 -14.607 10.947 660 HE2 LYS 93 2HE LYS 93 -0.145 -16.466 11.308 661 HE3 LYS 93 1HE LYS 93 -0.910 -14.931 10.898 662 HZ1 LYS 93 1HZ LYS 93 -1.607 -17.087 9.673 663 HZ2 LYS 93 2HZ LYS 93 -0.203 -16.813 8.755 664 HZ3 LYS 93 3HZ LYS 93 -1.436 -15.643 8.799 665 H VAL 94 H VAL 94 -0.247 -11.412 10.089 666 HA VAL 94 HA VAL 94 0.578 -11.671 12.911 667 HB VAL 94 HB VAL 94 -1.941 -10.371 11.871 668 HG11 VAL 94 1HG1 VAL 94 -0.530 -9.521 14.344 669 HG12 VAL 94 2HG1 VAL 94 -1.295 -11.108 14.392 670 HG13 VAL 94 3HG1 VAL 94 -2.258 -9.675 14.032 671 HG21 VAL 94 1HG2 VAL 94 -0.374 -8.278 12.519 672 HG22 VAL 94 2HG2 VAL 94 -0.444 -8.931 10.883 673 HG23 VAL 94 3HG2 VAL 94 0.873 -9.395 11.961 674 H SER 95 H SER 95 -2.562 -11.967 11.270 675 HA SER 95 HA SER 95 -2.961 -14.536 12.673 676 HB2 SER 95 2HB SER 95 -5.340 -13.222 11.561 677 HB3 SER 95 1HB SER 95 -5.073 -13.900 13.166 678 HG SER 95 HG SER 95 -4.820 -11.924 13.796 679 HA PRO 96 HA PRO 96 -3.625 -16.753 8.926 680 HB2 PRO 96 2HB PRO 96 -6.517 -17.205 9.260 681 HB3 PRO 96 1HB PRO 96 -5.186 -18.374 9.269 682 HG2 PRO 96 2HG PRO 96 -6.549 -17.703 11.488 683 HG3 PRO 96 1HG PRO 96 -4.839 -18.164 11.512 684 HD2 PRO 96 2HD PRO 96 -6.061 -15.440 11.727 685 HD3 PRO 96 1HD PRO 96 -4.618 -16.101 12.528 686 H GLU 97 H GLU 97 -6.329 -14.496 9.437 687 HA GLU 97 HA GLU 97 -6.383 -13.985 6.521 688 HB2 GLU 97 2HB GLU 97 -8.643 -13.211 8.314 689 HB3 GLU 97 1HB GLU 97 -8.668 -13.674 6.613 690 HG2 GLU 97 2HG GLU 97 -7.889 -15.999 7.447 691 HG3 GLU 97 1HG GLU 97 -8.416 -15.449 9.038 692 H VAL 98 H VAL 98 -4.892 -12.714 8.992 693 HA VAL 98 HA VAL 98 -5.430 -9.938 8.138 694 HB VAL 98 HB VAL 98 -4.762 -10.628 10.989 695 HG11 VAL 98 1HG1 VAL 98 -4.446 -8.299 10.108 696 HG12 VAL 98 2HG1 VAL 98 -5.634 -8.400 11.407 697 HG13 VAL 98 3HG1 VAL 98 -6.170 -8.255 9.734 698 HG21 VAL 98 1HG2 VAL 98 -7.202 -10.385 11.455 699 HG22 VAL 98 2HG2 VAL 98 -6.848 -11.800 10.463 700 HG23 VAL 98 3HG2 VAL 98 -7.504 -10.343 9.717 701 H LYS 99 H LYS 99 -3.671 -8.813 7.613 702 HA LYS 99 HA LYS 99 -1.032 -9.783 8.534 703 HB2 LYS 99 2HB LYS 99 -1.741 -8.820 5.750 704 HB3 LYS 99 1HB LYS 99 -0.118 -9.230 6.309 705 HG2 LYS 99 2HG LYS 99 -1.741 -11.426 7.011 706 HG3 LYS 99 1HG LYS 99 -2.209 -10.991 5.367 707 HD2 LYS 99 2HD LYS 99 0.151 -11.054 4.667 708 HD3 LYS 99 1HD LYS 99 0.632 -11.469 6.313 709 HE2 LYS 99 2HE LYS 99 0.210 -13.644 5.925 710 HE3 LYS 99 1HE LYS 99 -1.446 -13.265 5.457 711 HZ1 LYS 99 1HZ LYS 99 -0.927 -13.255 3.276 712 HZ2 LYS 99 2HZ LYS 99 0.324 -14.285 3.781 713 HZ3 LYS 99 3HZ LYS 99 0.632 -12.635 3.519 714 H LEU 100 H LEU 100 0.548 -8.184 8.847 715 HA LEU 100 HA LEU 100 -0.546 -5.455 9.102 716 HB2 LEU 100 2HB LEU 100 1.030 -7.102 10.829 717 HB3 LEU 100 1HB LEU 100 1.980 -5.683 10.385 718 HG LEU 100 HG LEU 100 0.053 -4.233 11.011 719 HD11 LEU 100 1HD1 LEU 100 -1.986 -5.147 11.279 720 HD12 LEU 100 2HD1 LEU 100 -1.384 -6.098 12.637 721 HD13 LEU 100 3HD1 LEU 100 -1.304 -6.749 11.000 722 HD21 LEU 100 1HD2 LEU 100 1.687 -4.468 12.713 723 HD22 LEU 100 2HD2 LEU 100 1.231 -6.142 13.036 724 HD23 LEU 100 3HD2 LEU 100 0.163 -4.827 13.526 725 H VAL 101 H VAL 101 0.573 -3.682 8.320 726 HA VAL 101 HA VAL 101 2.983 -4.185 6.707 727 HB VAL 101 HB VAL 101 2.090 -2.907 4.836 728 HG11 VAL 101 1HG1 VAL 101 1.638 -5.402 5.075 729 HG12 VAL 101 2HG1 VAL 101 0.533 -4.533 4.010 730 HG13 VAL 101 3HG1 VAL 101 0.024 -4.969 5.642 731 HG21 VAL 101 1HG2 VAL 101 -0.383 -2.331 4.887 732 HG22 VAL 101 2HG2 VAL 101 0.624 -1.363 5.963 733 HG23 VAL 101 3HG2 VAL 101 -0.353 -2.678 6.615 734 H VAL 102 H VAL 102 4.420 -2.482 6.660 735 HA VAL 102 HA VAL 102 3.629 0.088 7.776 736 HB VAL 102 HB VAL 102 5.489 0.103 9.372 737 HG11 VAL 102 1HG1 VAL 102 4.499 -1.318 11.016 738 HG12 VAL 102 2HG1 VAL 102 3.895 -2.434 9.790 739 HG13 VAL 102 3HG1 VAL 102 3.177 -0.830 9.954 740 HG21 VAL 102 1HG2 VAL 102 6.068 -2.476 8.007 741 HG22 VAL 102 2HG2 VAL 102 6.349 -2.432 9.748 742 HG23 VAL 102 3HG2 VAL 102 7.181 -1.291 8.691 743 H GLU 103 H GLU 103 4.190 1.362 6.174 744 HA GLU 103 HA GLU 103 6.945 1.240 5.148 745 HB2 GLU 103 2HB GLU 103 6.295 1.328 2.890 746 HB3 GLU 103 1HB GLU 103 5.211 0.126 3.590 747 HG2 GLU 103 2HG GLU 103 3.678 2.235 4.037 748 HG3 GLU 103 1HG GLU 103 4.618 2.929 2.717 749 H TYR 104 H TYR 104 7.747 3.225 4.331 750 HA TYR 104 HA TYR 104 6.160 5.605 5.099 751 HB2 TYR 104 2HB TYR 104 8.437 6.656 5.569 752 HB3 TYR 104 1HB TYR 104 7.888 5.440 6.723 753 HD1 TYR 104 1HD TYR 104 8.905 3.219 6.802 754 HD2 TYR 104 2HD TYR 104 10.246 6.178 3.994 755 HE1 TYR 104 1HE TYR 104 10.933 1.865 6.344 756 HE2 TYR 104 2HE TYR 104 12.275 4.826 3.536 757 HH TYR 104 HH TYR 104 13.228 2.792 3.816 758 H GLY 105 H GLY 105 6.230 7.360 3.732 759 HA2 GLY 105 2HA GLY 105 7.373 6.832 1.067 760 HA3 GLY 105 1HA GLY 105 6.063 7.955 1.416 761 H TRP 106 H TRP 106 8.933 8.093 0.208 762 HA TRP 106 HA TRP 106 9.485 10.749 1.203 763 HB2 TRP 106 2HB TRP 106 11.548 10.390 2.222 764 HB3 TRP 106 1HB TRP 106 10.623 8.993 2.776 765 HD1 TRP 106 HD TRP 106 11.003 6.672 1.377 766 HE1 TRP 106 1HE TRP 106 13.128 5.785 0.215 767 HE3 TRP 106 3HE TRP 106 13.676 11.007 1.001 768 HZ2 TRP 106 2HZ TRP 106 15.630 6.784 -0.745 769 HZ3 TRP 106 3HZ TRP 106 15.924 11.010 -0.040 770 HH2 TRP 106 HH TRP 106 16.905 8.907 -0.912 771 H ASN 107 H ASN 107 11.203 11.809 -0.031 772 HA ASN 107 HA ASN 107 12.443 10.577 -2.270 773 HB2 ASN 107 2HB ASN 107 11.151 11.638 -4.068 774 HB3 ASN 107 1HB ASN 107 10.143 10.533 -3.138 775 HD21 ASN 107 1HD2 ASN 107 10.205 13.651 -4.412 776 HD22 ASN 107 2HD2 ASN 107 9.030 14.358 -3.415 777 H ASN 108 H ASN 108 14.173 11.779 -2.745 778 HA ASN 108 HA ASN 108 15.690 13.516 -2.540 779 HB2 ASN 108 2HB ASN 108 13.888 14.084 -4.435 780 HB3 ASN 108 1HB ASN 108 13.562 15.432 -3.346 781 HD21 ASN 108 1HD2 ASN 108 15.025 15.249 -6.073 782 HD22 ASN 108 2HD2 ASN 108 16.497 16.045 -5.785 783 H SER 109 H SER 109 15.467 16.174 -1.957 784 HA SER 109 HA SER 109 15.429 16.230 0.840 785 HB2 SER 109 2HB SER 109 15.644 18.199 -1.330 786 HB3 SER 109 1HB SER 109 14.944 18.841 0.152 787 HG SER 109 HG SER 109 16.752 18.254 1.257 788 H SER 110 H SER 110 13.593 15.491 1.819 789 HA SER 110 HA SER 110 11.377 17.281 2.025 790 HB2 SER 110 2HB SER 110 9.905 16.426 0.563 791 HB3 SER 110 1HB SER 110 11.225 15.478 -0.116 792 HG SER 110 HG SER 110 9.212 14.400 0.804 793 H LEU 111 H LEU 111 9.609 16.284 3.407 794 HA LEU 111 HA LEU 111 10.871 14.921 5.628 795 HB2 LEU 111 2HB LEU 111 7.936 15.585 5.392 796 HB3 LEU 111 1HB LEU 111 8.893 15.373 6.850 797 HG LEU 111 HG LEU 111 8.632 17.727 6.626 798 HD11 LEU 111 1HD1 LEU 111 10.880 18.482 6.467 799 HD12 LEU 111 2HD1 LEU 111 11.309 17.206 5.327 800 HD13 LEU 111 3HD1 LEU 111 10.985 16.809 7.015 801 HD21 LEU 111 1HD2 LEU 111 9.844 18.018 3.945 802 HD22 LEU 111 2HD2 LEU 111 8.483 18.875 4.664 803 HD23 LEU 111 3HD2 LEU 111 8.239 17.291 3.938 804 H GLN 112 H GLN 112 10.137 12.950 6.546 805 HA GLN 112 HA GLN 112 8.967 11.108 4.554 806 HB2 GLN 112 2HB GLN 112 11.229 10.500 5.237 807 HB3 GLN 112 1HB GLN 112 10.750 10.548 6.935 808 HG2 GLN 112 2HG GLN 112 9.391 8.638 6.734 809 HG3 GLN 112 1HG GLN 112 9.295 8.779 4.980 810 HE21 GLN 112 1HE2 GLN 112 12.028 9.078 4.317 811 HE22 GLN 112 2HE2 GLN 112 12.862 7.666 4.756 812 H PHE 113 H PHE 113 7.046 10.215 4.952 813 HA PHE 113 HA PHE 113 5.843 10.629 7.610 814 HB2 PHE 113 2HB PHE 113 3.992 9.634 5.646 815 HB3 PHE 113 1HB PHE 113 3.976 11.176 6.500 816 HD1 PHE 113 1HD PHE 113 4.285 9.652 3.324 817 HD2 PHE 113 2HD PHE 113 5.774 12.939 5.659 818 HE1 PHE 113 1HE PHE 113 4.966 10.821 1.247 819 HE2 PHE 113 2HE PHE 113 6.456 14.106 3.581 820 HZ PHE 113 HZ PHE 113 6.053 13.047 1.374 821 H LEU 114 H LEU 114 4.712 8.931 8.637 822 HA LEU 114 HA LEU 114 5.640 6.238 7.843 823 HB2 LEU 114 2HB LEU 114 5.080 7.531 10.485 824 HB3 LEU 114 1HB LEU 114 4.892 5.784 10.325 825 HG LEU 114 HG LEU 114 7.375 7.022 9.216 826 HD11 LEU 114 1HD1 LEU 114 7.533 8.101 11.282 827 HD12 LEU 114 2HD1 LEU 114 8.324 6.562 11.625 828 HD13 LEU 114 3HD1 LEU 114 6.653 6.828 12.128 829 HD21 LEU 114 1HD2 LEU 114 6.797 4.467 10.752 830 HD22 LEU 114 2HD2 LEU 114 8.318 4.875 9.958 831 HD23 LEU 114 3HD2 LEU 114 6.868 4.599 8.995 832 H GLN 115 H GLN 115 4.189 4.618 7.502 833 HA GLN 115 HA GLN 115 1.328 5.235 7.927 834 HB2 GLN 115 2HB GLN 115 2.567 3.870 5.527 835 HB3 GLN 115 1HB GLN 115 0.837 4.063 5.811 836 HG2 GLN 115 2HG GLN 115 2.019 6.622 6.151 837 HG3 GLN 115 1HG GLN 115 2.685 5.944 4.666 838 HE21 GLN 115 1HE2 GLN 115 -0.586 5.658 6.174 839 HE22 GLN 115 2HE2 GLN 115 -1.420 6.190 4.795 840 H ALA 116 H ALA 116 0.111 3.649 8.788 841 HA ALA 116 HA ALA 116 1.238 0.936 8.982 842 HB1 ALA 116 1HB ALA 116 0.859 0.785 11.319 843 HB2 ALA 116 2HB ALA 116 -0.066 2.286 11.344 844 HB3 ALA 116 3HB ALA 116 1.678 2.329 11.086 845 H GLY 117 H GLY 117 -0.239 -0.616 8.584 846 HA2 GLY 117 2HA GLY 117 -3.035 -0.294 9.180 847 HA3 GLY 117 1HA GLY 117 -2.694 -0.166 7.458 848 H LEU 118 H LEU 118 -4.083 -2.091 7.332 849 HA LEU 118 HA LEU 118 -2.452 -4.523 7.529 850 HB2 LEU 118 2HB LEU 118 -4.562 -5.720 8.384 851 HB3 LEU 118 1HB LEU 118 -3.653 -4.751 9.546 852 HG LEU 118 HG LEU 118 -5.708 -3.256 8.043 853 HD11 LEU 118 1HD1 LEU 118 -6.405 -5.539 9.902 854 HD12 LEU 118 2HD1 LEU 118 -7.031 -5.228 8.284 855 HD13 LEU 118 3HD1 LEU 118 -7.499 -4.184 9.624 856 HD21 LEU 118 1HD2 LEU 118 -5.210 -3.553 11.019 857 HD22 LEU 118 2HD2 LEU 118 -6.045 -2.232 10.201 858 HD23 LEU 118 3HD2 LEU 118 -4.307 -2.439 9.993 859 H SER 119 H SER 119 -3.578 -6.378 6.382 860 HA SER 119 HA SER 119 -5.263 -5.413 4.157 861 HB2 SER 119 2HB SER 119 -3.521 -5.713 2.768 862 HB3 SER 119 1HB SER 119 -2.559 -6.476 4.029 863 HG SER 119 HG SER 119 -3.969 -8.365 3.620 864 H TYR 120 H TYR 120 -6.551 -7.044 3.143 865 HA TYR 120 HA TYR 120 -6.726 -9.649 4.451 866 HB2 TYR 120 2HB TYR 120 -8.224 -8.531 5.881 867 HB3 TYR 120 1HB TYR 120 -8.880 -7.548 4.572 868 HD1 TYR 120 1HD TYR 120 -8.337 -11.212 5.221 869 HD2 TYR 120 2HD TYR 120 -11.043 -8.136 3.920 870 HE1 TYR 120 1HE TYR 120 -10.091 -12.919 4.826 871 HE2 TYR 120 2HE TYR 120 -12.793 -9.845 3.526 872 HH TYR 120 HH TYR 120 -13.353 -12.116 4.304 873 H ARG 121 H ARG 121 -7.275 -11.202 3.033 874 HA ARG 121 HA ARG 121 -7.818 -10.424 0.279 875 HB2 ARG 121 2HB ARG 121 -6.894 -12.865 1.683 876 HB3 ARG 121 1HB ARG 121 -7.842 -13.124 0.220 877 HG2 ARG 121 2HG ARG 121 -6.310 -11.932 -1.127 878 HG3 ARG 121 1HG ARG 121 -5.554 -11.159 0.267 879 HD2 ARG 121 2HD ARG 121 -4.516 -13.336 -0.989 880 HD3 ARG 121 1HD ARG 121 -4.221 -12.951 0.705 881 HE ARG 121 HE ARG 121 -6.605 -14.527 0.287 882 HH11 ARG 121 1HH1 ARG 121 -6.532 -16.650 1.094 883 HH12 ARG 121 2HH1 ARG 121 -5.009 -17.351 1.533 884 HH21 ARG 121 1HH2 ARG 121 -3.168 -14.536 0.688 885 HH22 ARG 121 2HH2 ARG 121 -3.105 -16.155 1.304 886 H ILE 122 H ILE 122 -9.689 -10.782 -0.830 887 HA ILE 122 HA ILE 122 -12.055 -11.393 0.773 888 HB ILE 122 HB ILE 122 -12.017 -10.649 -2.147 889 HG12 ILE 122 2HG1 ILE 122 -10.688 -8.944 -1.094 890 HG13 ILE 122 1HG1 ILE 122 -12.309 -8.276 -1.280 891 HG21 ILE 122 1HG2 ILE 122 -14.005 -10.176 0.095 892 HG22 ILE 122 2HG2 ILE 122 -14.140 -11.435 -1.133 893 HG23 ILE 122 3HG2 ILE 122 -14.228 -9.736 -1.599 894 HD11 ILE 122 1HD1 ILE 122 -11.705 -7.743 0.950 895 HD12 ILE 122 2HD1 ILE 122 -11.002 -9.335 1.227 896 HD13 ILE 122 3HD1 ILE 122 -12.752 -9.154 1.103 897 H GLN 123 H GLN 123 -10.215 -12.673 -1.940 898 HA GLN 123 HA GLN 123 -12.006 -15.021 -2.023 899 HB2 GLN 123 2HB GLN 123 -10.507 -13.519 -4.078 900 HB3 GLN 123 1HB GLN 123 -10.441 -15.274 -4.236 901 HG2 GLN 123 2HG GLN 123 -12.369 -14.328 -5.467 902 HG3 GLN 123 1HG GLN 123 -12.897 -15.386 -4.160 903 HE21 GLN 123 1HE2 GLN 123 -12.563 -11.959 -5.093 904 HE22 GLN 123 2HE2 GLN 123 -13.655 -11.372 -3.934 905 HA PRO 124 HA PRO 124 -9.136 -17.934 -0.387 906 HB2 PRO 124 2HB PRO 124 -8.907 -19.052 -3.160 907 HB3 PRO 124 1HB PRO 124 -9.171 -19.899 -1.623 908 HG2 PRO 124 2HG PRO 124 -11.158 -19.393 -3.371 909 HG3 PRO 124 1HG PRO 124 -11.408 -19.485 -1.622 910 HD2 PRO 124 2HD PRO 124 -11.551 -17.137 -3.378 911 HD3 PRO 124 1HD PRO 124 -12.125 -17.324 -1.707 Start of MODEL 2 1 H1 MET 1 1HT MET 1 -10.051 -22.699 -10.757 2 H2 MET 1 2HT MET 1 -9.047 -22.000 -9.579 3 H3 MET 1 3HT MET 1 -9.398 -21.154 -11.010 4 HA MET 1 HA MET 1 -11.369 -20.425 -10.281 5 HB2 MET 1 2HB MET 1 -11.666 -22.994 -8.696 6 HB3 MET 1 1HB MET 1 -12.933 -21.816 -9.042 7 HG2 MET 1 2HG MET 1 -11.896 -22.422 -11.554 8 HG3 MET 1 1HG MET 1 -11.905 -23.975 -10.721 9 HE1 MET 1 1HE MET 1 -13.549 -24.322 -12.949 10 HE2 MET 1 2HE MET 1 -15.131 -24.792 -12.331 11 HE3 MET 1 3HE MET 1 -13.672 -25.382 -11.538 12 H GLN 2 H GLN 2 -8.749 -21.444 -8.436 13 HA GLN 2 HA GLN 2 -9.430 -19.507 -6.324 14 HB2 GLN 2 2HB GLN 2 -9.740 -22.060 -5.727 15 HB3 GLN 2 1HB GLN 2 -7.984 -22.014 -5.567 16 HG2 GLN 2 2HG GLN 2 -8.580 -21.399 -3.422 17 HG3 GLN 2 1HG GLN 2 -8.521 -19.809 -4.181 18 HE21 GLN 2 1HE2 GLN 2 -11.017 -20.185 -5.725 19 HE22 GLN 2 2HE2 GLN 2 -12.286 -20.122 -4.600 20 H ASP 3 H ASP 3 -7.674 -18.413 -5.445 21 HA ASP 3 HA ASP 3 -5.632 -17.355 -5.563 22 HB2 ASP 3 2HB ASP 3 -4.705 -20.200 -6.016 23 HB3 ASP 3 1HB ASP 3 -3.681 -18.854 -5.524 24 H GLY 4 H GLY 4 -7.152 -17.567 -8.036 25 HA2 GLY 4 2HA GLY 4 -5.083 -17.906 -10.092 26 HA3 GLY 4 1HA GLY 4 -6.810 -17.713 -10.380 27 HA PRO 5 HA PRO 5 -4.540 -13.623 -10.919 28 HB2 PRO 5 2HB PRO 5 -4.953 -13.338 -13.606 29 HB3 PRO 5 1HB PRO 5 -3.533 -14.149 -12.919 30 HG2 PRO 5 2HG PRO 5 -5.988 -15.321 -14.111 31 HG3 PRO 5 1HG PRO 5 -4.307 -15.872 -14.209 32 HD2 PRO 5 2HD PRO 5 -6.190 -16.995 -12.537 33 HD3 PRO 5 1HD PRO 5 -4.441 -17.044 -12.232 34 H GLY 6 H GLY 6 -5.537 -11.568 -11.372 35 HA2 GLY 6 2HA GLY 6 -7.305 -10.107 -11.816 36 HA3 GLY 6 1HA GLY 6 -8.319 -11.492 -12.213 37 H THR 7 H THR 7 -6.621 -11.858 -9.295 38 HA THR 7 HA THR 7 -9.007 -11.929 -7.738 39 HB THR 7 HB THR 7 -6.400 -11.632 -6.356 40 HG1 THR 7 1HG THR 7 -6.234 -14.019 -7.070 41 HG21 THR 7 1HG2 THR 7 -7.273 -13.550 -5.110 42 HG22 THR 7 2HG2 THR 7 -8.602 -13.711 -6.258 43 HG23 THR 7 3HG2 THR 7 -8.504 -12.291 -5.218 44 H LEU 8 H LEU 8 -9.349 -10.639 -5.761 45 HA LEU 8 HA LEU 8 -8.363 -7.864 -6.013 46 HB2 LEU 8 2HB LEU 8 -10.998 -8.729 -6.496 47 HB3 LEU 8 1HB LEU 8 -11.026 -7.962 -4.907 48 HG LEU 8 HG LEU 8 -9.797 -6.007 -5.907 49 HD11 LEU 8 1HD1 LEU 8 -10.569 -6.529 -8.638 50 HD12 LEU 8 2HD1 LEU 8 -9.508 -7.817 -8.063 51 HD13 LEU 8 3HD1 LEU 8 -8.972 -6.137 -7.997 52 HD21 LEU 8 1HD2 LEU 8 -12.553 -6.829 -6.330 53 HD22 LEU 8 2HD2 LEU 8 -12.012 -5.749 -7.616 54 HD23 LEU 8 3HD2 LEU 8 -11.917 -5.233 -5.931 55 H ASP 9 H ASP 9 -7.971 -6.792 -4.103 56 HA ASP 9 HA ASP 9 -8.583 -8.180 -1.584 57 HB2 ASP 9 2HB ASP 9 -5.844 -7.026 -2.039 58 HB3 ASP 9 1HB ASP 9 -6.368 -8.183 -0.816 59 H VAL 10 H VAL 10 -8.456 -6.811 0.287 60 HA VAL 10 HA VAL 10 -8.688 -3.930 -0.358 61 HB VAL 10 HB VAL 10 -10.334 -3.729 1.380 62 HG11 VAL 10 1HG1 VAL 10 -10.672 -5.328 -0.916 63 HG12 VAL 10 2HG1 VAL 10 -11.936 -4.512 0.004 64 HG13 VAL 10 3HG1 VAL 10 -11.507 -6.180 0.382 65 HG21 VAL 10 1HG2 VAL 10 -9.772 -5.106 3.148 66 HG22 VAL 10 2HG2 VAL 10 -9.315 -6.445 2.095 67 HG23 VAL 10 3HG2 VAL 10 -11.017 -6.109 2.405 68 H PHE 11 H PHE 11 -7.488 -2.518 0.810 69 HA PHE 11 HA PHE 11 -6.192 -3.424 3.274 70 HB2 PHE 11 2HB PHE 11 -4.057 -3.382 2.516 71 HB3 PHE 11 1HB PHE 11 -4.803 -3.650 0.941 72 HD1 PHE 11 1HD PHE 11 -3.048 -1.278 3.080 73 HD2 PHE 11 2HD PHE 11 -5.273 -1.712 -0.570 74 HE1 PHE 11 1HE PHE 11 -2.200 0.919 2.301 75 HE2 PHE 11 2HE PHE 11 -4.425 0.484 -1.349 76 HZ PHE 11 HZ PHE 11 -2.889 1.800 0.087 77 H VAL 12 H VAL 12 -5.722 -1.800 4.696 78 HA VAL 12 HA VAL 12 -6.252 0.974 3.832 79 HB VAL 12 HB VAL 12 -7.422 1.363 5.978 80 HG11 VAL 12 1HG1 VAL 12 -9.496 0.337 5.330 81 HG12 VAL 12 2HG1 VAL 12 -8.657 -0.965 4.486 82 HG13 VAL 12 3HG1 VAL 12 -8.614 0.676 3.841 83 HG21 VAL 12 1HG2 VAL 12 -8.154 -1.226 6.756 84 HG22 VAL 12 2HG2 VAL 12 -7.058 -0.147 7.619 85 HG23 VAL 12 3HG2 VAL 12 -6.416 -1.326 6.475 86 H ALA 13 H ALA 13 -4.850 2.472 4.639 87 HA ALA 13 HA ALA 13 -3.212 1.899 6.945 88 HB1 ALA 13 1HB ALA 13 -2.002 0.779 5.067 89 HB2 ALA 13 2HB ALA 13 -1.083 2.093 5.801 90 HB3 ALA 13 3HB ALA 13 -1.896 2.341 4.255 91 H ALA 14 H ALA 14 -3.451 3.704 8.014 92 HA ALA 14 HA ALA 14 -3.576 6.272 6.581 93 HB1 ALA 14 1HB ALA 14 -4.785 7.127 8.366 94 HB2 ALA 14 2HB ALA 14 -4.071 6.005 9.523 95 HB3 ALA 14 3HB ALA 14 -5.300 5.442 8.390 96 H GLY 15 H GLY 15 -2.070 7.844 6.863 97 HA2 GLY 15 2HA GLY 15 0.087 7.361 8.828 98 HA3 GLY 15 1HA GLY 15 0.458 7.787 7.162 99 H TRP 16 H TRP 16 1.483 9.388 9.049 100 HA TRP 16 HA TRP 16 -0.099 11.852 8.736 101 HB2 TRP 16 2HB TRP 16 0.829 12.440 11.101 102 HB3 TRP 16 1HB TRP 16 -0.597 11.409 10.972 103 HD1 TRP 16 HD TRP 16 -0.083 8.689 11.050 104 HE1 TRP 16 1HE TRP 16 1.655 7.418 12.469 105 HE3 TRP 16 3HE TRP 16 3.076 12.526 12.220 106 HZ2 TRP 16 2HZ TRP 16 4.066 7.959 13.909 107 HZ3 TRP 16 3HZ TRP 16 5.083 12.122 13.614 108 HH2 TRP 16 HH TRP 16 5.583 9.844 14.461 109 H ASN 17 H ASN 17 1.142 13.779 8.716 110 HA ASN 17 HA ASN 17 3.987 13.332 8.050 111 HB2 ASN 17 2HB ASN 17 3.010 15.943 7.320 112 HB3 ASN 17 1HB ASN 17 3.658 14.670 6.285 113 HD21 ASN 17 1HD2 ASN 17 1.975 12.786 5.894 114 HD22 ASN 17 2HD2 ASN 17 0.375 13.276 5.617 115 H THR 18 H THR 18 5.567 14.741 8.866 116 HA THR 18 HA THR 18 5.459 15.435 11.523 117 HB THR 18 HB THR 18 7.226 17.274 10.669 118 HG1 THR 18 1HG THR 18 8.111 16.518 8.723 119 HG21 THR 18 1HG2 THR 18 8.860 15.268 10.522 120 HG22 THR 18 2HG2 THR 18 7.445 14.275 10.872 121 HG23 THR 18 3HG2 THR 18 7.970 15.497 12.028 122 H ASP 19 H ASP 19 3.950 17.021 8.891 123 HA ASP 19 HA ASP 19 3.804 19.656 9.977 124 HB2 ASP 19 2HB ASP 19 3.438 19.125 7.576 125 HB3 ASP 19 1HB ASP 19 1.937 18.309 8.010 126 H ASN 20 H ASN 20 2.788 17.009 11.409 127 HA ASN 20 HA ASN 20 1.223 16.525 13.019 128 HB2 ASN 20 2HB ASN 20 1.948 18.963 13.630 129 HB3 ASN 20 1HB ASN 20 0.351 19.395 13.021 130 HD21 ASN 20 1HD2 ASN 20 1.445 16.524 14.912 131 HD22 ASN 20 2HD2 ASN 20 0.340 16.761 16.179 132 H THR 21 H THR 21 0.413 15.938 10.501 133 HA THR 21 HA THR 21 -2.470 16.524 10.633 134 HB THR 21 HB THR 21 -2.153 16.398 7.961 135 HG1 THR 21 1HG THR 21 0.048 16.335 7.944 136 HG21 THR 21 1HG2 THR 21 -2.216 18.898 8.010 137 HG22 THR 21 2HG2 THR 21 -1.845 18.837 9.734 138 HG23 THR 21 3HG2 THR 21 -3.358 18.155 9.132 139 H ILE 22 H ILE 22 -3.748 14.790 10.271 140 HA ILE 22 HA ILE 22 -2.398 12.235 9.711 141 HB ILE 22 HB ILE 22 -3.711 12.326 11.773 142 HG12 ILE 22 2HG1 ILE 22 -5.569 10.694 10.193 143 HG13 ILE 22 1HG1 ILE 22 -3.879 10.397 9.786 144 HG21 ILE 22 1HG2 ILE 22 -6.065 12.921 9.952 145 HG22 ILE 22 2HG2 ILE 22 -5.288 14.099 11.010 146 HG23 ILE 22 3HG2 ILE 22 -6.126 12.710 11.702 147 HD11 ILE 22 1HD1 ILE 22 -4.870 10.468 12.642 148 HD12 ILE 22 2HD1 ILE 22 -3.330 9.850 12.046 149 HD13 ILE 22 3HD1 ILE 22 -4.825 8.984 11.691 150 H GLU 23 H GLU 23 -2.969 10.932 8.022 151 HA GLU 23 HA GLU 23 -5.145 11.827 6.250 152 HB2 GLU 23 2HB GLU 23 -2.648 10.828 4.973 153 HB3 GLU 23 1HB GLU 23 -3.823 12.003 4.382 154 HG2 GLU 23 2HG GLU 23 -2.997 13.601 6.145 155 HG3 GLU 23 1HG GLU 23 -1.718 12.447 6.514 156 H ILE 24 H ILE 24 -6.363 10.201 5.465 157 HA ILE 24 HA ILE 24 -5.557 7.458 6.167 158 HB ILE 24 HB ILE 24 -8.256 8.589 5.390 159 HG12 ILE 24 2HG1 ILE 24 -7.337 7.497 8.060 160 HG13 ILE 24 1HG1 ILE 24 -7.252 9.213 7.659 161 HG21 ILE 24 1HG2 ILE 24 -8.591 6.127 6.640 162 HG22 ILE 24 2HG2 ILE 24 -7.209 5.865 5.576 163 HG23 ILE 24 3HG2 ILE 24 -8.740 6.434 4.909 164 HD11 ILE 24 1HD1 ILE 24 -9.592 9.419 7.498 165 HD12 ILE 24 2HD1 ILE 24 -9.376 8.348 8.883 166 HD13 ILE 24 3HD1 ILE 24 -9.824 7.680 7.313 167 H THR 25 H THR 25 -5.121 5.965 4.650 168 HA THR 25 HA THR 25 -5.781 6.579 1.835 169 HB THR 25 HB THR 25 -3.635 6.148 1.098 170 HG1 THR 25 1HG THR 25 -2.466 4.594 1.911 171 HG21 THR 25 1HG2 THR 25 -3.773 8.090 2.814 172 HG22 THR 25 2HG2 THR 25 -2.175 7.503 2.351 173 HG23 THR 25 3HG2 THR 25 -2.886 7.006 3.886 174 H GLY 26 H GLY 26 -7.100 5.055 1.097 175 HA2 GLY 26 2HA GLY 26 -6.518 2.239 1.710 176 HA3 GLY 26 1HA GLY 26 -8.133 2.852 2.051 177 H GLY 27 H GLY 27 -7.429 0.755 0.193 178 HA2 GLY 27 2HA GLY 27 -9.023 1.507 -2.018 179 HA3 GLY 27 1HA GLY 27 -7.326 1.554 -2.485 180 H ALA 28 H ALA 28 -7.554 -0.188 -3.925 181 HA ALA 28 HA ALA 28 -7.655 -2.814 -2.597 182 HB1 ALA 28 1HB ALA 28 -9.866 -2.178 -3.752 183 HB2 ALA 28 2HB ALA 28 -9.151 -3.735 -4.170 184 HB3 ALA 28 3HB ALA 28 -8.980 -2.364 -5.265 185 H THR 29 H THR 29 -6.404 -4.418 -3.575 186 HA THR 29 HA THR 29 -4.472 -3.420 -5.580 187 HB THR 29 HB THR 29 -2.809 -4.580 -4.520 188 HG1 THR 29 1HG THR 29 -3.089 -6.572 -3.685 189 HG21 THR 29 1HG2 THR 29 -4.756 -4.553 -2.209 190 HG22 THR 29 2HG2 THR 29 -4.024 -3.081 -2.847 191 HG23 THR 29 3HG2 THR 29 -3.006 -4.344 -2.155 192 H TYR 30 H TYR 30 -3.939 -4.706 -7.345 193 HA TYR 30 HA TYR 30 -5.907 -6.816 -7.964 194 HB2 TYR 30 2HB TYR 30 -4.834 -4.634 -9.464 195 HB3 TYR 30 1HB TYR 30 -4.334 -6.138 -10.237 196 HD1 TYR 30 1HD TYR 30 -6.337 -8.020 -10.113 197 HD2 TYR 30 2HD TYR 30 -6.848 -3.754 -10.249 198 HE1 TYR 30 1HE TYR 30 -8.622 -8.321 -11.026 199 HE2 TYR 30 2HE TYR 30 -9.132 -4.059 -11.162 200 HH TYR 30 HH TYR 30 -10.299 -6.059 -12.566 201 H GLN 31 H GLN 31 -5.274 -8.874 -8.038 202 HA GLN 31 HA GLN 31 -2.392 -9.457 -7.924 203 HB2 GLN 31 2HB GLN 31 -4.355 -10.375 -6.323 204 HB3 GLN 31 1HB GLN 31 -4.382 -11.626 -7.566 205 HG2 GLN 31 2HG GLN 31 -2.023 -10.759 -5.881 206 HG3 GLN 31 1HG GLN 31 -2.806 -12.338 -5.898 207 HE21 GLN 31 1HE2 GLN 31 -2.961 -13.052 -8.519 208 HE22 GLN 31 2HE2 GLN 31 -1.434 -13.042 -9.258 209 H LEU 32 H LEU 32 -1.631 -9.568 -9.971 210 HA LEU 32 HA LEU 32 -3.155 -11.111 -11.963 211 HB2 LEU 32 2HB LEU 32 -1.309 -8.826 -12.068 212 HB3 LEU 32 1HB LEU 32 -0.980 -10.057 -13.285 213 HG LEU 32 HG LEU 32 -2.607 -8.290 -14.037 214 HD11 LEU 32 1HD1 LEU 32 -2.792 -11.131 -14.276 215 HD12 LEU 32 2HD1 LEU 32 -3.329 -9.903 -15.423 216 HD13 LEU 32 3HD1 LEU 32 -4.431 -10.489 -14.177 217 HD21 LEU 32 1HD2 LEU 32 -4.508 -7.822 -12.877 218 HD22 LEU 32 2HD2 LEU 32 -3.672 -8.585 -11.524 219 HD23 LEU 32 3HD2 LEU 32 -4.806 -9.519 -12.501 220 H SER 33 H SER 33 0.087 -10.818 -10.542 221 HA SER 33 HA SER 33 0.505 -13.665 -10.801 222 HB2 SER 33 2HB SER 33 2.826 -12.554 -12.003 223 HB3 SER 33 1HB SER 33 1.664 -13.669 -12.714 224 HG SER 33 HG SER 33 0.676 -12.042 -13.675 225 HA PRO 34 HA PRO 34 3.100 -12.938 -7.326 226 HB2 PRO 34 2HB PRO 34 5.108 -14.772 -7.660 227 HB3 PRO 34 1HB PRO 34 3.462 -15.203 -7.159 228 HG2 PRO 34 2HG PRO 34 4.744 -15.412 -9.834 229 HG3 PRO 34 1HG PRO 34 3.607 -16.511 -9.034 230 HD2 PRO 34 2HD PRO 34 2.854 -14.745 -10.991 231 HD3 PRO 34 1HD PRO 34 1.757 -15.307 -9.710 232 H TYR 35 H TYR 35 4.203 -12.294 -10.442 233 HA TYR 35 HA TYR 35 6.919 -11.615 -9.958 234 HB2 TYR 35 2HB TYR 35 4.943 -11.195 -12.119 235 HB3 TYR 35 1HB TYR 35 6.244 -10.007 -12.032 236 HD1 TYR 35 1HD TYR 35 5.573 -13.679 -12.119 237 HD2 TYR 35 2HD TYR 35 8.419 -10.533 -12.793 238 HE1 TYR 35 1HE TYR 35 7.133 -15.311 -13.147 239 HE2 TYR 35 2HE TYR 35 9.978 -12.165 -13.821 240 HH TYR 35 HH TYR 35 9.994 -15.198 -13.415 241 H ILE 36 H ILE 36 4.194 -9.391 -10.585 242 HA ILE 36 HA ILE 36 5.240 -7.608 -8.488 243 HB ILE 36 HB ILE 36 6.047 -6.931 -10.811 244 HG12 ILE 36 2HG1 ILE 36 4.326 -5.093 -9.121 245 HG13 ILE 36 1HG1 ILE 36 6.071 -5.320 -9.015 246 HG21 ILE 36 1HG2 ILE 36 4.545 -6.238 -12.426 247 HG22 ILE 36 2HG2 ILE 36 3.315 -5.797 -11.243 248 HG23 ILE 36 3HG2 ILE 36 3.576 -7.491 -11.653 249 HD11 ILE 36 1HD1 ILE 36 5.934 -3.353 -10.264 250 HD12 ILE 36 2HD1 ILE 36 4.478 -3.876 -11.112 251 HD13 ILE 36 3HD1 ILE 36 6.043 -4.572 -11.534 252 H MET 37 H MET 37 3.692 -6.335 -7.473 253 HA MET 37 HA MET 37 0.906 -7.144 -7.991 254 HB2 MET 37 2HB MET 37 2.240 -7.244 -5.660 255 HB3 MET 37 1HB MET 37 1.615 -5.597 -5.557 256 HG2 MET 37 2HG MET 37 -0.667 -6.521 -6.123 257 HG3 MET 37 1HG MET 37 0.015 -8.138 -5.957 258 HE1 MET 37 1HE MET 37 -2.113 -7.906 -2.852 259 HE2 MET 37 2HE MET 37 -1.164 -9.164 -3.639 260 HE3 MET 37 3HE MET 37 -2.134 -8.062 -4.613 261 H VAL 38 H VAL 38 -0.743 -5.609 -8.144 262 HA VAL 38 HA VAL 38 0.180 -2.896 -8.867 263 HB VAL 38 HB VAL 38 -2.324 -4.397 -9.668 264 HG11 VAL 38 1HG1 VAL 38 -2.971 -2.138 -9.638 265 HG12 VAL 38 2HG1 VAL 38 -2.412 -2.362 -11.296 266 HG13 VAL 38 3HG1 VAL 38 -1.369 -1.575 -10.114 267 HG21 VAL 38 1HG2 VAL 38 -1.317 -4.587 -11.822 268 HG22 VAL 38 2HG2 VAL 38 -0.053 -5.046 -10.681 269 HG23 VAL 38 3HG2 VAL 38 -0.042 -3.440 -11.409 270 H LYS 39 H LYS 39 -0.236 -1.342 -7.448 271 HA LYS 39 HA LYS 39 -2.437 -1.725 -5.515 272 HB2 LYS 39 2HB LYS 39 0.196 -1.112 -5.048 273 HB3 LYS 39 1HB LYS 39 -0.557 0.483 -5.045 274 HG2 LYS 39 2HG LYS 39 -2.273 -0.384 -3.441 275 HG3 LYS 39 1HG LYS 39 -1.382 -1.906 -3.370 276 HD2 LYS 39 2HD LYS 39 0.666 -0.441 -2.757 277 HD3 LYS 39 1HD LYS 39 -0.517 0.821 -2.417 278 HE2 LYS 39 2HE LYS 39 -1.715 -0.971 -0.980 279 HE3 LYS 39 1HE LYS 39 -0.195 -1.858 -1.071 280 HZ1 LYS 39 1HZ LYS 39 0.952 -0.095 -0.040 281 HZ2 LYS 39 2HZ LYS 39 -0.453 -0.333 0.884 282 HZ3 LYS 39 3HZ LYS 39 -0.357 0.969 -0.202 283 H ALA 40 H ALA 40 -4.097 -0.305 -5.409 284 HA ALA 40 HA ALA 40 -3.920 2.264 -6.792 285 HB1 ALA 40 1HB ALA 40 -5.536 -0.045 -7.721 286 HB2 ALA 40 2HB ALA 40 -4.845 1.292 -8.640 287 HB3 ALA 40 3HB ALA 40 -6.334 1.527 -7.724 288 H GLY 41 H GLY 41 -4.909 3.794 -5.634 289 HA2 GLY 41 2HA GLY 41 -7.370 3.413 -4.249 290 HA3 GLY 41 1HA GLY 41 -6.016 3.392 -3.124 291 H TYR 42 H TYR 42 -6.936 5.332 -2.194 292 HA TYR 42 HA TYR 42 -5.852 7.724 -3.433 293 HB2 TYR 42 2HB TYR 42 -8.095 8.919 -3.097 294 HB3 TYR 42 1HB TYR 42 -7.965 7.847 -4.491 295 HD1 TYR 42 1HD TYR 42 -9.155 5.730 -4.576 296 HD2 TYR 42 2HD TYR 42 -9.380 8.251 -1.107 297 HE1 TYR 42 1HE TYR 42 -11.064 4.392 -3.728 298 HE2 TYR 42 2HE TYR 42 -11.288 6.913 -0.258 299 HH TYR 42 HH TYR 42 -13.144 5.080 -1.958 300 H GLY 43 H GLY 43 -6.052 9.619 -1.973 301 HA2 GLY 43 2HA GLY 43 -6.327 8.831 0.866 302 HA3 GLY 43 1HA GLY 43 -4.942 9.761 0.304 303 H TRP 44 H TRP 44 -7.205 10.359 2.224 304 HA TRP 44 HA TRP 44 -7.682 13.070 1.280 305 HB2 TRP 44 2HB TRP 44 -10.019 13.002 1.233 306 HB3 TRP 44 1HB TRP 44 -9.576 11.482 0.458 307 HD1 TRP 44 HD TRP 44 -8.880 9.713 2.903 308 HE1 TRP 44 1HE TRP 44 -10.704 8.983 4.570 309 HE3 TRP 44 3HE TRP 44 -12.391 13.308 1.999 310 HZ2 TRP 44 2HZ TRP 44 -13.310 9.814 5.410 311 HZ3 TRP 44 3HZ TRP 44 -14.533 13.316 3.245 312 HH2 TRP 44 HH TRP 44 -14.997 11.575 4.949 313 H ASN 45 H ASN 45 -8.274 14.504 2.941 314 HA ASN 45 HA ASN 45 -7.928 13.414 5.671 315 HB2 ASN 45 2HB ASN 45 -7.200 15.798 6.203 316 HB3 ASN 45 1HB ASN 45 -6.092 14.848 5.214 317 HD21 ASN 45 1HD2 ASN 45 -6.020 15.340 2.871 318 HD22 ASN 45 2HD2 ASN 45 -6.579 16.835 2.294 319 H ASN 46 H ASN 46 -8.740 16.688 5.497 320 HA ASN 46 HA ASN 46 -11.330 16.181 6.698 321 HB2 ASN 46 2HB ASN 46 -10.137 18.860 5.982 322 HB3 ASN 46 1HB ASN 46 -11.372 18.513 7.193 323 HD21 ASN 46 1HD2 ASN 46 -10.676 17.719 9.261 324 HD22 ASN 46 2HD2 ASN 46 -9.038 17.598 9.688 325 H SER 47 H SER 47 -10.707 15.652 3.761 326 HA SER 47 HA SER 47 -11.929 15.690 1.811 327 HB2 SER 47 2HB SER 47 -14.044 17.387 3.079 328 HB3 SER 47 1HB SER 47 -14.210 16.073 1.918 329 HG SER 47 HG SER 47 -13.054 15.096 4.088 330 H SER 48 H SER 48 -10.562 16.943 0.596 331 HA SER 48 HA SER 48 -11.476 19.501 -0.225 332 HB2 SER 48 2HB SER 48 -9.268 19.394 1.794 333 HB3 SER 48 1HB SER 48 -9.218 20.620 0.530 334 HG SER 48 HG SER 48 -10.747 20.496 2.748 335 H LEU 49 H LEU 49 -8.380 17.761 0.179 336 HA LEU 49 HA LEU 49 -7.676 18.368 -2.593 337 HB2 LEU 49 2HB LEU 49 -6.233 17.771 -0.163 338 HB3 LEU 49 1HB LEU 49 -5.728 16.686 -1.459 339 HG LEU 49 HG LEU 49 -5.369 18.631 -2.943 340 HD11 LEU 49 1HD1 LEU 49 -6.416 20.561 -2.441 341 HD12 LEU 49 2HD1 LEU 49 -5.304 20.760 -1.086 342 HD13 LEU 49 3HD1 LEU 49 -6.854 19.951 -0.844 343 HD21 LEU 49 1HD2 LEU 49 -3.984 18.536 -0.264 344 HD22 LEU 49 2HD2 LEU 49 -3.491 19.696 -1.497 345 HD23 LEU 49 3HD2 LEU 49 -3.397 17.964 -1.824 346 H ASN 50 H ASN 50 -6.566 16.469 -3.783 347 HA ASN 50 HA ASN 50 -8.031 13.948 -3.356 348 HB2 ASN 50 2HB ASN 50 -7.731 15.314 -6.041 349 HB3 ASN 50 1HB ASN 50 -8.541 13.779 -5.729 350 HD21 ASN 50 1HD2 ASN 50 -10.761 14.133 -5.867 351 HD22 ASN 50 2HD2 ASN 50 -11.576 15.459 -5.194 352 H ARG 51 H ARG 51 -6.280 12.764 -2.734 353 HA ARG 51 HA ARG 51 -3.865 12.837 -4.410 354 HB2 ARG 51 2HB ARG 51 -4.376 11.559 -1.714 355 HB3 ARG 51 1HB ARG 51 -2.836 11.530 -2.574 356 HG2 ARG 51 2HG ARG 51 -4.055 14.209 -2.264 357 HG3 ARG 51 1HG ARG 51 -3.513 13.450 -0.767 358 HD2 ARG 51 2HD ARG 51 -1.796 13.699 -3.249 359 HD3 ARG 51 1HD ARG 51 -1.745 14.833 -1.903 360 HE ARG 51 HE ARG 51 -0.617 12.175 -1.957 361 HH11 ARG 51 1HH1 ARG 51 0.487 11.539 -0.076 362 HH12 ARG 51 2HH1 ARG 51 0.277 12.436 1.390 363 HH21 ARG 51 1HH2 ARG 51 -1.930 14.715 -0.009 364 HH22 ARG 51 2HH2 ARG 51 -1.092 14.235 1.428 365 H PHE 52 H PHE 52 -3.725 11.408 -6.002 366 HA PHE 52 HA PHE 52 -5.133 8.822 -5.736 367 HB2 PHE 52 2HB PHE 52 -5.432 10.633 -7.718 368 HB3 PHE 52 1HB PHE 52 -4.106 9.677 -8.379 369 HD1 PHE 52 1HD PHE 52 -7.436 9.260 -6.707 370 HD2 PHE 52 2HD PHE 52 -4.585 7.680 -9.506 371 HE1 PHE 52 1HE PHE 52 -9.037 7.470 -7.329 372 HE2 PHE 52 2HE PHE 52 -6.186 5.893 -10.128 373 HZ PHE 52 HZ PHE 52 -8.412 5.787 -9.040 374 H GLU 53 H GLU 53 -3.874 7.134 -5.311 375 HA GLU 53 HA GLU 53 -1.012 7.276 -5.996 376 HB2 GLU 53 2HB GLU 53 -2.462 5.375 -4.137 377 HB3 GLU 53 1HB GLU 53 -0.715 5.484 -4.364 378 HG2 GLU 53 2HG GLU 53 -0.704 7.005 -2.700 379 HG3 GLU 53 1HG GLU 53 -1.496 8.108 -3.823 380 H PHE 54 H PHE 54 -0.218 6.085 -7.605 381 HA PHE 54 HA PHE 54 -1.625 3.632 -8.417 382 HB2 PHE 54 2HB PHE 54 -2.009 5.918 -9.832 383 HB3 PHE 54 1HB PHE 54 -0.579 5.275 -10.640 384 HD1 PHE 54 1HD PHE 54 -4.139 4.760 -9.928 385 HD2 PHE 54 2HD PHE 54 -0.629 3.063 -11.731 386 HE1 PHE 54 1HE PHE 54 -5.551 3.107 -11.119 387 HE2 PHE 54 2HE PHE 54 -2.040 1.410 -12.924 388 HZ PHE 54 HZ PHE 54 -4.503 1.431 -12.619 389 H GLY 55 H GLY 55 -0.215 2.013 -8.464 390 HA2 GLY 55 2HA GLY 55 2.204 1.983 -9.861 391 HA3 GLY 55 1HA GLY 55 2.581 2.358 -8.181 392 H GLY 56 H GLY 56 3.621 0.428 -7.731 393 HA2 GLY 56 2HA GLY 56 1.850 -1.849 -7.264 394 HA3 GLY 56 1HA GLY 56 3.216 -2.127 -8.341 395 H GLY 57 H GLY 57 3.452 -3.731 -6.392 396 HA2 GLY 57 2HA GLY 57 5.412 -2.511 -4.558 397 HA3 GLY 57 1HA GLY 57 4.140 -3.543 -3.912 398 H LEU 58 H LEU 58 6.563 -4.379 -3.312 399 HA LEU 58 HA LEU 58 6.989 -6.686 -5.103 400 HB2 LEU 58 2HB LEU 58 8.738 -4.844 -5.390 401 HB3 LEU 58 1HB LEU 58 9.265 -5.239 -3.755 402 HG LEU 58 HG LEU 58 9.082 -7.728 -4.927 403 HD11 LEU 58 1HD1 LEU 58 10.150 -7.593 -7.097 404 HD12 LEU 58 2HD1 LEU 58 10.318 -5.843 -6.955 405 HD13 LEU 58 3HD1 LEU 58 8.718 -6.564 -7.131 406 HD21 LEU 58 1HD2 LEU 58 11.560 -7.620 -4.964 407 HD22 LEU 58 2HD2 LEU 58 10.905 -6.903 -3.492 408 HD23 LEU 58 3HD2 LEU 58 11.477 -5.866 -4.799 409 H GLN 59 H GLN 59 7.418 -8.600 -4.101 410 HA GLN 59 HA GLN 59 7.868 -8.635 -1.203 411 HB2 GLN 59 2HB GLN 59 6.075 -10.331 -0.909 412 HB3 GLN 59 1HB GLN 59 5.444 -8.762 -1.412 413 HG2 GLN 59 2HG GLN 59 4.504 -9.720 -3.214 414 HG3 GLN 59 1HG GLN 59 6.098 -10.224 -3.771 415 HE21 GLN 59 1HE2 GLN 59 5.778 -12.396 -4.363 416 HE22 GLN 59 2HE2 GLN 59 5.113 -13.574 -3.339 417 H TYR 60 H TYR 60 8.409 -10.857 -0.433 418 HA TYR 60 HA TYR 60 9.699 -12.458 -2.564 419 HB2 TYR 60 2HB TYR 60 10.918 -11.098 -0.382 420 HB3 TYR 60 1HB TYR 60 11.035 -12.830 -0.067 421 HD1 TYR 60 1HD TYR 60 12.313 -14.297 -1.514 422 HD2 TYR 60 2HD TYR 60 11.902 -10.119 -2.422 423 HE1 TYR 60 1HE TYR 60 14.118 -14.487 -3.205 424 HE2 TYR 60 2HE TYR 60 13.707 -10.308 -4.112 425 HH TYR 60 HH TYR 60 15.715 -13.088 -4.351 426 H LYS 61 H LYS 61 10.220 -14.720 -1.775 427 HA LYS 61 HA LYS 61 7.984 -15.746 -0.123 428 HB2 LYS 61 2HB LYS 61 8.077 -17.789 -1.495 429 HB3 LYS 61 1HB LYS 61 7.742 -16.369 -2.486 430 HG2 LYS 61 2HG LYS 61 10.489 -16.428 -2.507 431 HG3 LYS 61 1HG LYS 61 10.091 -18.146 -2.490 432 HD2 LYS 61 2HD LYS 61 9.007 -16.097 -4.445 433 HD3 LYS 61 1HD LYS 61 10.227 -17.320 -4.803 434 HE2 LYS 61 2HE LYS 61 8.311 -18.924 -3.805 435 HE3 LYS 61 1HE LYS 61 7.289 -17.627 -4.426 436 HZ1 LYS 61 1HZ LYS 61 7.530 -19.036 -6.226 437 HZ2 LYS 61 2HZ LYS 61 9.162 -19.368 -5.894 438 HZ3 LYS 61 3HZ LYS 61 8.711 -17.857 -6.525 439 H VAL 62 H VAL 62 8.739 -16.373 1.795 440 HA VAL 62 HA VAL 62 11.071 -18.145 1.880 441 HB VAL 62 HB VAL 62 10.873 -15.844 3.815 442 HG11 VAL 62 1HG1 VAL 62 12.251 -17.979 4.231 443 HG12 VAL 62 2HG1 VAL 62 13.105 -16.441 4.370 444 HG13 VAL 62 3HG1 VAL 62 13.288 -17.424 2.917 445 HG21 VAL 62 1HG2 VAL 62 12.360 -15.982 1.174 446 HG22 VAL 62 2HG2 VAL 62 12.651 -14.762 2.414 447 HG23 VAL 62 3HG2 VAL 62 11.085 -14.842 1.606 448 H THR 63 H THR 63 8.374 -16.621 3.595 449 HA THR 63 HA THR 63 7.988 -19.133 5.080 450 HB THR 63 HB THR 63 8.360 -18.142 7.063 451 HG1 THR 63 1HG THR 63 6.497 -16.287 6.039 452 HG21 THR 63 1HG2 THR 63 9.425 -15.929 7.108 453 HG22 THR 63 2HG2 THR 63 8.902 -15.632 5.451 454 HG23 THR 63 3HG2 THR 63 10.080 -16.900 5.791 455 HA PRO 64 HA PRO 64 3.669 -19.069 4.261 456 HB2 PRO 64 2HB PRO 64 3.142 -18.101 7.049 457 HB3 PRO 64 1HB PRO 64 2.373 -19.425 6.153 458 HG2 PRO 64 2HG PRO 64 4.221 -19.889 8.016 459 HG3 PRO 64 1HG PRO 64 4.097 -20.881 6.554 460 HD2 PRO 64 2HD PRO 64 6.163 -18.891 7.291 461 HD3 PRO 64 1HD PRO 64 6.272 -20.266 6.173 462 H ASP 65 H ASP 65 5.265 -16.272 5.459 463 HA ASP 65 HA ASP 65 4.245 -14.421 3.758 464 HB2 ASP 65 2HB ASP 65 2.270 -15.016 5.870 465 HB3 ASP 65 1HB ASP 65 2.612 -13.304 5.647 466 H LEU 66 H LEU 66 6.531 -14.072 4.288 467 HA LEU 66 HA LEU 66 6.797 -11.869 6.152 468 HB2 LEU 66 2HB LEU 66 7.467 -14.461 7.040 469 HB3 LEU 66 1HB LEU 66 8.995 -13.652 6.694 470 HG LEU 66 HG LEU 66 6.767 -12.507 8.405 471 HD11 LEU 66 1HD1 LEU 66 9.283 -12.931 9.748 472 HD12 LEU 66 2HD1 LEU 66 8.739 -14.444 9.021 473 HD13 LEU 66 3HD1 LEU 66 7.694 -13.582 10.151 474 HD21 LEU 66 1HD2 LEU 66 9.039 -11.329 7.081 475 HD22 LEU 66 2HD2 LEU 66 9.277 -11.247 8.826 476 HD23 LEU 66 3HD2 LEU 66 7.832 -10.544 8.100 477 H GLU 67 H GLU 67 7.596 -10.456 4.707 478 HA GLU 67 HA GLU 67 10.246 -10.859 3.677 479 HB2 GLU 67 2HB GLU 67 9.239 -10.351 1.251 480 HB3 GLU 67 1HB GLU 67 9.463 -11.999 1.840 481 HG2 GLU 67 2HG GLU 67 7.169 -11.449 0.844 482 HG3 GLU 67 1HG GLU 67 7.165 -12.203 2.435 483 HA PRO 68 HA PRO 68 10.220 -6.446 3.875 484 HB2 PRO 68 2HB PRO 68 11.714 -5.810 1.605 485 HB3 PRO 68 1HB PRO 68 12.388 -6.236 3.189 486 HG2 PRO 68 2HG PRO 68 12.065 -7.903 0.758 487 HG3 PRO 68 1HG PRO 68 13.345 -7.920 1.983 488 HD2 PRO 68 2HD PRO 68 11.399 -9.813 1.902 489 HD3 PRO 68 1HD PRO 68 12.133 -9.274 3.428 490 H TYR 69 H TYR 69 9.293 -4.559 2.867 491 HA TYR 69 HA TYR 69 7.529 -5.185 0.570 492 HB2 TYR 69 2HB TYR 69 6.439 -4.784 2.848 493 HB3 TYR 69 1HB TYR 69 6.965 -3.107 2.681 494 HD1 TYR 69 1HD TYR 69 4.876 -5.777 1.170 495 HD2 TYR 69 2HD TYR 69 5.894 -1.603 1.146 496 HE1 TYR 69 1HE TYR 69 2.929 -5.310 -0.293 497 HE2 TYR 69 2HE TYR 69 3.947 -1.137 -0.317 498 HH TYR 69 HH TYR 69 1.484 -2.707 -0.652 499 H ALA 70 H ALA 70 7.674 -3.939 -1.176 500 HA ALA 70 HA ALA 70 9.250 -1.437 -0.988 501 HB1 ALA 70 1HB ALA 70 9.012 -2.913 -3.569 502 HB2 ALA 70 2HB ALA 70 10.102 -3.561 -2.342 503 HB3 ALA 70 3HB ALA 70 10.338 -1.925 -2.956 504 H TRP 71 H TRP 71 8.521 0.344 -2.154 505 HA TRP 71 HA TRP 71 5.900 0.083 -3.481 506 HB2 TRP 71 2HB TRP 71 5.631 0.900 -1.119 507 HB3 TRP 71 1HB TRP 71 6.595 2.310 -1.559 508 HD1 TRP 71 HD TRP 71 3.601 0.481 -3.216 509 HE1 TRP 71 1HE TRP 71 1.893 2.265 -3.954 510 HE3 TRP 71 3HE TRP 71 5.995 4.706 -1.634 511 HZ2 TRP 71 2HZ TRP 71 1.581 5.108 -3.884 512 HZ3 TRP 71 3HZ TRP 71 4.971 6.936 -1.981 513 HH2 TRP 71 HH TRP 71 2.769 7.142 -3.101 514 H ALA 72 H ALA 72 5.684 1.247 -5.314 515 HA ALA 72 HA ALA 72 7.386 3.526 -5.871 516 HB1 ALA 72 1HB ALA 72 7.666 0.938 -7.406 517 HB2 ALA 72 2HB ALA 72 8.927 1.807 -6.531 518 HB3 ALA 72 3HB ALA 72 8.244 2.493 -8.006 519 H GLY 73 H GLY 73 6.249 4.953 -7.026 520 HA2 GLY 73 2HA GLY 73 4.649 4.376 -9.262 521 HA3 GLY 73 1HA GLY 73 3.598 4.479 -7.853 522 H ALA 74 H ALA 74 2.655 6.334 -8.979 523 HA ALA 74 HA ALA 74 4.160 8.803 -8.387 524 HB1 ALA 74 1HB ALA 74 4.274 9.290 -10.572 525 HB2 ALA 74 2HB ALA 74 2.512 9.359 -10.601 526 HB3 ALA 74 3HB ALA 74 3.342 7.850 -10.984 527 H THR 75 H THR 75 2.925 10.537 -7.688 528 HA THR 75 HA THR 75 0.161 9.855 -6.916 529 HB THR 75 HB THR 75 0.413 11.657 -5.237 530 HG1 THR 75 1HG THR 75 3.138 11.712 -5.948 531 HG21 THR 75 1HG2 THR 75 0.944 9.488 -4.436 532 HG22 THR 75 2HG2 THR 75 2.299 10.500 -3.931 533 HG23 THR 75 3HG2 THR 75 2.462 9.441 -5.332 534 H TYR 76 H TYR 76 -1.454 11.556 -7.017 535 HA TYR 76 HA TYR 76 -0.879 13.699 -8.952 536 HB2 TYR 76 2HB TYR 76 -1.860 11.997 -10.323 537 HB3 TYR 76 1HB TYR 76 -3.117 11.676 -9.129 538 HD1 TYR 76 1HD TYR 76 -5.087 13.029 -8.991 539 HD2 TYR 76 2HD TYR 76 -1.832 14.190 -11.542 540 HE1 TYR 76 1HE TYR 76 -6.521 14.763 -10.030 541 HE2 TYR 76 2HE TYR 76 -3.267 15.925 -12.582 542 HH TYR 76 HH TYR 76 -6.676 16.314 -11.611 543 H ASN 77 H ASN 77 -1.328 15.533 -7.916 544 HA ASN 77 HA ASN 77 -3.356 15.569 -5.809 545 HB2 ASN 77 2HB ASN 77 -1.435 17.713 -6.743 546 HB3 ASN 77 1HB ASN 77 -2.495 17.827 -5.340 547 HD21 ASN 77 1HD2 ASN 77 0.556 16.617 -6.470 548 HD22 ASN 77 2HD2 ASN 77 1.003 15.822 -5.039 549 H THR 78 H THR 78 -5.123 16.987 -5.800 550 HA THR 78 HA THR 78 -6.579 17.243 -8.151 551 HB THR 78 HB THR 78 -7.057 19.325 -6.102 552 HG1 THR 78 1HG THR 78 -6.455 17.837 -4.665 553 HG21 THR 78 1HG2 THR 78 -9.315 18.687 -6.430 554 HG22 THR 78 2HG2 THR 78 -8.861 17.104 -7.060 555 HG23 THR 78 3HG2 THR 78 -8.579 18.551 -8.028 556 H ASP 79 H ASP 79 -3.906 19.069 -7.099 557 HA ASP 79 HA ASP 79 -4.547 21.533 -8.428 558 HB2 ASP 79 2HB ASP 79 -2.083 20.368 -7.173 559 HB3 ASP 79 1HB ASP 79 -1.966 21.821 -8.164 560 H ASN 80 H ASN 80 -4.594 18.877 -9.913 561 HA ASN 80 HA ASN 80 -4.045 18.070 -11.994 562 HB2 ASN 80 2HB ASN 80 -3.180 20.789 -12.868 563 HB3 ASN 80 1HB ASN 80 -4.198 19.613 -13.697 564 HD21 ASN 80 1HD2 ASN 80 -6.482 19.450 -12.990 565 HD22 ASN 80 2HD2 ASN 80 -7.207 20.733 -12.147 566 H THR 81 H THR 81 -1.955 18.275 -9.912 567 HA THR 81 HA THR 81 0.446 18.455 -11.635 568 HB THR 81 HB THR 81 0.142 18.830 -8.649 569 HG1 THR 81 1HG THR 81 1.332 20.838 -9.630 570 HG21 THR 81 1HG2 THR 81 2.236 17.898 -8.673 571 HG22 THR 81 2HG2 THR 81 2.691 19.528 -9.167 572 HG23 THR 81 3HG2 THR 81 2.494 18.262 -10.379 573 H LEU 82 H LEU 82 1.908 16.783 -11.643 574 HA LEU 82 HA LEU 82 1.226 14.378 -10.070 575 HB2 LEU 82 2HB LEU 82 1.766 12.991 -12.048 576 HB3 LEU 82 1HB LEU 82 0.373 14.036 -12.334 577 HG LEU 82 HG LEU 82 2.552 15.607 -13.079 578 HD11 LEU 82 1HD1 LEU 82 3.810 14.186 -14.649 579 HD12 LEU 82 2HD1 LEU 82 2.893 12.777 -14.117 580 HD13 LEU 82 3HD1 LEU 82 3.987 13.591 -12.998 581 HD21 LEU 82 1HD2 LEU 82 0.362 15.483 -14.201 582 HD22 LEU 82 2HD2 LEU 82 0.741 13.861 -14.779 583 HD23 LEU 82 3HD2 LEU 82 1.664 15.245 -15.365 584 H VAL 83 H VAL 83 2.915 13.518 -9.031 585 HA VAL 83 HA VAL 83 5.630 14.021 -10.039 586 HB VAL 83 HB VAL 83 6.041 14.242 -7.358 587 HG11 VAL 83 1HG1 VAL 83 6.237 16.676 -7.788 588 HG12 VAL 83 2HG1 VAL 83 5.345 16.473 -9.296 589 HG13 VAL 83 3HG1 VAL 83 6.934 15.733 -9.104 590 HG21 VAL 83 1HG2 VAL 83 4.336 15.530 -6.328 591 HG22 VAL 83 2HG2 VAL 83 3.465 14.239 -7.157 592 HG23 VAL 83 3HG2 VAL 83 3.536 15.851 -7.866 593 HA PRO 84 HA PRO 84 6.233 9.782 -8.956 594 HB2 PRO 84 2HB PRO 84 8.872 9.738 -8.222 595 HB3 PRO 84 1HB PRO 84 8.326 9.883 -9.904 596 HG2 PRO 84 2HG PRO 84 9.296 11.988 -8.042 597 HG3 PRO 84 1HG PRO 84 9.588 11.792 -9.778 598 HD2 PRO 84 2HD PRO 84 7.772 13.573 -8.766 599 HD3 PRO 84 1HD PRO 84 7.605 12.817 -10.366 600 H ALA 85 H ALA 85 6.675 8.294 -7.184 601 HA ALA 85 HA ALA 85 7.185 9.389 -4.542 602 HB1 ALA 85 1HB ALA 85 4.746 9.779 -4.892 603 HB2 ALA 85 2HB ALA 85 5.084 8.663 -3.569 604 HB3 ALA 85 3HB ALA 85 4.537 8.045 -5.127 605 H ALA 86 H ALA 86 8.133 7.906 -3.253 606 HA ALA 86 HA ALA 86 7.802 5.052 -3.842 607 HB1 ALA 86 1HB ALA 86 10.051 4.605 -4.225 608 HB2 ALA 86 2HB ALA 86 10.586 6.096 -3.449 609 HB3 ALA 86 3HB ALA 86 9.854 6.150 -5.054 610 H GLY 87 H GLY 87 8.210 3.704 -2.087 611 HA2 GLY 87 2HA GLY 87 9.063 4.945 0.437 612 HA3 GLY 87 1HA GLY 87 7.486 4.162 0.382 613 H ALA 88 H ALA 88 9.255 3.210 2.181 614 HA ALA 88 HA ALA 88 9.836 0.542 1.113 615 HB1 ALA 88 1HB ALA 88 11.871 2.416 1.467 616 HB2 ALA 88 2HB ALA 88 12.070 0.670 1.314 617 HB3 ALA 88 3HB ALA 88 11.949 1.407 2.911 618 H GLY 89 H GLY 89 9.469 -1.069 2.562 619 HA2 GLY 89 2HA GLY 89 9.450 -0.646 5.405 620 HA3 GLY 89 1HA GLY 89 7.826 -0.761 4.736 621 H PHE 90 H PHE 90 7.459 -2.700 5.902 622 HA PHE 90 HA PHE 90 8.431 -5.067 4.503 623 HB2 PHE 90 2HB PHE 90 8.540 -5.276 7.462 624 HB3 PHE 90 1HB PHE 90 9.543 -6.054 6.237 625 HD1 PHE 90 1HD PHE 90 9.159 -3.176 8.432 626 HD2 PHE 90 2HD PHE 90 11.355 -4.754 5.095 627 HE1 PHE 90 1HE PHE 90 10.909 -1.452 8.769 628 HE2 PHE 90 2HE PHE 90 13.104 -3.028 5.431 629 HZ PHE 90 HZ PHE 90 12.882 -1.377 7.268 630 H ARG 91 H ARG 91 7.182 -6.979 4.992 631 HA ARG 91 HA ARG 91 4.518 -6.361 6.129 632 HB2 ARG 91 2HB ARG 91 4.238 -6.642 3.773 633 HB3 ARG 91 1HB ARG 91 5.276 -8.068 3.755 634 HG2 ARG 91 2HG ARG 91 3.668 -9.392 4.892 635 HG3 ARG 91 1HG ARG 91 2.743 -7.976 5.395 636 HD2 ARG 91 2HD ARG 91 3.064 -8.967 2.549 637 HD3 ARG 91 1HD ARG 91 1.615 -9.122 3.537 638 HE ARG 91 HE ARG 91 2.315 -6.398 3.427 639 HH11 ARG 91 1HH1 ARG 91 1.212 -5.032 1.985 640 HH12 ARG 91 2HH1 ARG 91 0.380 -5.710 0.623 641 HH21 ARG 91 1HH2 ARG 91 1.240 -8.980 1.390 642 HH22 ARG 91 2HH2 ARG 91 0.396 -7.944 0.288 643 H TYR 92 H TYR 92 4.340 -7.333 8.036 644 HA TYR 92 HA TYR 92 5.572 -9.993 8.409 645 HB2 TYR 92 2HB TYR 92 5.949 -7.820 9.943 646 HB3 TYR 92 1HB TYR 92 4.511 -8.472 10.729 647 HD1 TYR 92 1HD TYR 92 8.060 -9.021 9.979 648 HD2 TYR 92 2HD TYR 92 4.533 -10.710 11.756 649 HE1 TYR 92 1HE TYR 92 9.450 -10.736 11.108 650 HE2 TYR 92 2HE TYR 92 5.925 -12.425 12.886 651 HH TYR 92 HH TYR 92 7.970 -13.197 13.228 652 H LYS 93 H LYS 93 4.365 -11.650 9.421 653 HA LYS 93 HA LYS 93 1.489 -11.461 8.901 654 HB2 LYS 93 2HB LYS 93 2.842 -13.394 8.047 655 HB3 LYS 93 1HB LYS 93 3.105 -13.881 9.722 656 HG2 LYS 93 2HG LYS 93 0.650 -14.019 10.051 657 HG3 LYS 93 1HG LYS 93 0.413 -13.591 8.357 658 HD2 LYS 93 2HD LYS 93 0.434 -15.844 8.027 659 HD3 LYS 93 1HD LYS 93 2.184 -15.657 8.127 660 HE2 LYS 93 2HE LYS 93 0.332 -16.329 10.431 661 HE3 LYS 93 1HE LYS 93 1.448 -17.441 9.639 662 HZ1 LYS 93 1HZ LYS 93 3.186 -15.640 10.246 663 HZ2 LYS 93 2HZ LYS 93 2.668 -16.741 11.434 664 HZ3 LYS 93 3HZ LYS 93 2.038 -15.163 11.400 665 H VAL 94 H VAL 94 0.383 -10.584 10.555 666 HA VAL 94 HA VAL 94 1.119 -11.306 13.311 667 HB VAL 94 HB VAL 94 -0.559 -9.479 13.877 668 HG11 VAL 94 1HG1 VAL 94 1.831 -9.044 13.953 669 HG12 VAL 94 2HG1 VAL 94 1.034 -7.664 13.195 670 HG13 VAL 94 3HG1 VAL 94 1.887 -8.846 12.201 671 HG21 VAL 94 1HG2 VAL 94 -1.389 -8.079 12.171 672 HG22 VAL 94 2HG2 VAL 94 -1.566 -9.693 11.485 673 HG23 VAL 94 3HG2 VAL 94 -0.218 -8.669 10.993 674 H SER 95 H SER 95 -1.268 -11.850 10.878 675 HA SER 95 HA SER 95 -2.769 -13.535 12.766 676 HB2 SER 95 2HB SER 95 -3.733 -11.109 11.577 677 HB3 SER 95 1HB SER 95 -4.643 -12.472 10.929 678 HG SER 95 HG SER 95 -5.658 -12.381 12.767 679 HA PRO 96 HA PRO 96 -2.712 -16.498 9.516 680 HB2 PRO 96 2HB PRO 96 -5.167 -17.688 9.717 681 HB3 PRO 96 1HB PRO 96 -3.861 -17.942 10.891 682 HG2 PRO 96 2HG PRO 96 -6.255 -16.183 11.071 683 HG3 PRO 96 1HG PRO 96 -5.485 -17.176 12.320 684 HD2 PRO 96 2HD PRO 96 -5.120 -14.466 12.131 685 HD3 PRO 96 1HD PRO 96 -3.907 -15.566 12.817 686 H GLU 97 H GLU 97 -5.352 -14.205 9.535 687 HA GLU 97 HA GLU 97 -5.639 -14.532 6.604 688 HB2 GLU 97 2HB GLU 97 -7.761 -13.845 8.649 689 HB3 GLU 97 1HB GLU 97 -7.993 -13.756 6.903 690 HG2 GLU 97 2HG GLU 97 -7.720 -16.097 6.636 691 HG3 GLU 97 1HG GLU 97 -7.026 -16.281 8.246 692 H VAL 98 H VAL 98 -4.588 -12.542 9.049 693 HA VAL 98 HA VAL 98 -4.818 -10.172 7.305 694 HB VAL 98 HB VAL 98 -5.514 -10.415 10.215 695 HG11 VAL 98 1HG1 VAL 98 -4.310 -8.052 8.783 696 HG12 VAL 98 2HG1 VAL 98 -3.927 -8.682 10.384 697 HG13 VAL 98 3HG1 VAL 98 -5.438 -7.814 10.117 698 HG21 VAL 98 1HG2 VAL 98 -7.517 -9.439 9.559 699 HG22 VAL 98 2HG2 VAL 98 -7.096 -10.314 8.086 700 HG23 VAL 98 3HG2 VAL 98 -6.777 -8.583 8.207 701 H LYS 99 H LYS 99 -3.030 -8.880 7.208 702 HA LYS 99 HA LYS 99 -0.720 -9.620 8.897 703 HB2 LYS 99 2HB LYS 99 -0.688 -9.083 5.917 704 HB3 LYS 99 1HB LYS 99 0.740 -9.326 6.923 705 HG2 LYS 99 2HG LYS 99 0.527 -11.542 6.604 706 HG3 LYS 99 1HG LYS 99 -0.993 -11.482 7.498 707 HD2 LYS 99 2HD LYS 99 -2.190 -10.921 5.401 708 HD3 LYS 99 1HD LYS 99 -0.669 -11.039 4.516 709 HE2 LYS 99 2HE LYS 99 -0.489 -13.415 5.502 710 HE3 LYS 99 1HE LYS 99 -2.196 -13.238 5.911 711 HZ1 LYS 99 1HZ LYS 99 -0.954 -13.142 3.224 712 HZ2 LYS 99 2HZ LYS 99 -2.544 -12.622 3.521 713 HZ3 LYS 99 3HZ LYS 99 -2.111 -14.241 3.796 714 H LEU 100 H LEU 100 0.607 -7.945 9.519 715 HA LEU 100 HA LEU 100 -0.507 -5.259 9.145 716 HB2 LEU 100 2HB LEU 100 0.177 -6.308 11.421 717 HB3 LEU 100 1HB LEU 100 1.825 -5.930 10.918 718 HG LEU 100 HG LEU 100 0.653 -3.574 10.338 719 HD11 LEU 100 1HD1 LEU 100 -1.558 -4.361 11.144 720 HD12 LEU 100 2HD1 LEU 100 -0.958 -3.010 12.106 721 HD13 LEU 100 3HD1 LEU 100 -0.860 -4.655 12.737 722 HD21 LEU 100 1HD2 LEU 100 1.356 -2.908 12.732 723 HD22 LEU 100 2HD2 LEU 100 2.591 -3.641 11.709 724 HD23 LEU 100 3HD2 LEU 100 1.783 -4.606 12.945 725 H VAL 101 H VAL 101 0.758 -3.493 8.466 726 HA VAL 101 HA VAL 101 3.360 -4.119 7.242 727 HB VAL 101 HB VAL 101 2.629 -2.698 5.259 728 HG11 VAL 101 1HG1 VAL 101 1.327 -5.375 5.824 729 HG12 VAL 101 2HG1 VAL 101 2.868 -5.090 5.015 730 HG13 VAL 101 3HG1 VAL 101 1.359 -4.620 4.231 731 HG21 VAL 101 1HG2 VAL 101 0.475 -2.093 6.771 732 HG22 VAL 101 2HG2 VAL 101 -0.179 -3.467 5.879 733 HG23 VAL 101 3HG2 VAL 101 0.434 -2.062 5.008 734 H VAL 102 H VAL 102 4.757 -2.330 7.037 735 HA VAL 102 HA VAL 102 3.865 0.248 8.054 736 HB VAL 102 HB VAL 102 6.226 -1.216 9.262 737 HG11 VAL 102 1HG1 VAL 102 5.222 1.005 10.778 738 HG12 VAL 102 2HG1 VAL 102 5.512 1.536 9.122 739 HG13 VAL 102 3HG1 VAL 102 6.818 0.805 10.054 740 HG21 VAL 102 1HG2 VAL 102 4.222 -2.269 10.077 741 HG22 VAL 102 2HG2 VAL 102 3.414 -0.713 10.273 742 HG23 VAL 102 3HG2 VAL 102 4.753 -1.152 11.335 743 H GLU 103 H GLU 103 4.419 1.483 6.418 744 HA GLU 103 HA GLU 103 7.191 1.383 5.428 745 HB2 GLU 103 2HB GLU 103 6.291 1.829 3.117 746 HB3 GLU 103 1HB GLU 103 5.941 0.216 3.738 747 HG2 GLU 103 2HG GLU 103 3.692 0.882 4.361 748 HG3 GLU 103 1HG GLU 103 4.026 2.554 3.917 749 H TYR 104 H TYR 104 8.086 3.346 4.921 750 HA TYR 104 HA TYR 104 6.479 5.712 5.648 751 HB2 TYR 104 2HB TYR 104 9.442 5.849 5.348 752 HB3 TYR 104 1HB TYR 104 8.385 6.689 6.483 753 HD1 TYR 104 1HD TYR 104 7.331 5.371 8.383 754 HD2 TYR 104 2HD TYR 104 10.487 3.799 5.932 755 HE1 TYR 104 1HE TYR 104 7.808 3.648 10.101 756 HE2 TYR 104 2HE TYR 104 10.965 2.076 7.650 757 HH TYR 104 HH TYR 104 9.058 1.073 9.824 758 H GLY 105 H GLY 105 6.232 7.392 4.248 759 HA2 GLY 105 2HA GLY 105 6.894 6.887 1.457 760 HA3 GLY 105 1HA GLY 105 5.880 8.188 2.075 761 H TRP 106 H TRP 106 8.350 8.000 0.245 762 HA TRP 106 HA TRP 106 9.704 10.328 1.415 763 HB2 TRP 106 2HB TRP 106 10.870 7.687 1.115 764 HB3 TRP 106 1HB TRP 106 11.758 8.891 0.182 765 HD1 TRP 106 HD TRP 106 10.383 8.409 3.762 766 HE1 TRP 106 1HE TRP 106 11.956 9.631 5.398 767 HE3 TRP 106 3HE TRP 106 13.630 10.533 0.441 768 HZ2 TRP 106 2HZ TRP 106 14.283 11.291 5.309 769 HZ3 TRP 106 3HZ TRP 106 15.513 11.929 1.242 770 HH2 TRP 106 HH TRP 106 15.845 12.310 3.670 771 H ASN 107 H ASN 107 10.549 11.759 -0.097 772 HA ASN 107 HA ASN 107 10.505 11.090 -2.925 773 HB2 ASN 107 2HB ASN 107 9.037 13.544 -2.637 774 HB3 ASN 107 1HB ASN 107 8.563 12.061 -3.464 775 HD21 ASN 107 1HD2 ASN 107 6.589 11.360 -2.645 776 HD22 ASN 107 2HD2 ASN 107 6.144 11.402 -1.007 777 H ASN 108 H ASN 108 12.018 12.213 -4.010 778 HA ASN 108 HA ASN 108 14.034 13.633 -2.818 779 HB2 ASN 108 2HB ASN 108 14.320 14.728 -5.131 780 HB3 ASN 108 1HB ASN 108 14.396 12.969 -5.048 781 HD21 ASN 108 1HD2 ASN 108 11.923 15.561 -5.527 782 HD22 ASN 108 2HD2 ASN 108 11.031 14.687 -6.678 783 H SER 109 H SER 109 14.230 15.567 -1.891 784 HA SER 109 HA SER 109 13.611 17.619 -1.038 785 HB2 SER 109 2HB SER 109 12.673 18.169 -3.854 786 HB3 SER 109 1HB SER 109 13.315 19.316 -2.682 787 HG SER 109 HG SER 109 14.902 17.123 -3.331 788 H SER 110 H SER 110 11.838 16.337 0.077 789 HA SER 110 HA SER 110 9.398 17.798 -0.098 790 HB2 SER 110 2HB SER 110 9.529 15.728 -1.926 791 HB3 SER 110 1HB SER 110 8.685 15.001 -0.562 792 HG SER 110 HG SER 110 7.138 16.554 -0.696 793 H LEU 111 H LEU 111 7.743 16.905 1.444 794 HA LEU 111 HA LEU 111 9.077 16.106 3.881 795 HB2 LEU 111 2HB LEU 111 6.488 17.242 3.120 796 HB3 LEU 111 1HB LEU 111 6.370 16.042 4.407 797 HG LEU 111 HG LEU 111 8.073 17.225 5.709 798 HD11 LEU 111 1HD1 LEU 111 9.574 18.419 4.508 799 HD12 LEU 111 2HD1 LEU 111 8.358 19.696 4.472 800 HD13 LEU 111 3HD1 LEU 111 8.479 18.555 3.132 801 HD21 LEU 111 1HD2 LEU 111 5.796 17.947 6.089 802 HD22 LEU 111 2HD2 LEU 111 5.827 18.967 4.650 803 HD23 LEU 111 3HD2 LEU 111 6.811 19.389 6.052 804 H GLN 112 H GLN 112 8.734 14.220 5.052 805 HA GLN 112 HA GLN 112 7.656 11.962 3.480 806 HB2 GLN 112 2HB GLN 112 9.053 10.596 5.143 807 HB3 GLN 112 1HB GLN 112 9.936 11.539 3.941 808 HG2 GLN 112 2HG GLN 112 9.282 12.694 6.648 809 HG3 GLN 112 1HG GLN 112 10.717 11.697 6.406 810 HE21 GLN 112 1HE2 GLN 112 9.732 14.883 6.417 811 HE22 GLN 112 2HE2 GLN 112 10.909 15.534 5.382 812 H PHE 113 H PHE 113 6.709 10.181 4.819 813 HA PHE 113 HA PHE 113 5.543 10.996 7.365 814 HB2 PHE 113 2HB PHE 113 3.282 10.062 6.180 815 HB3 PHE 113 1HB PHE 113 3.684 11.774 6.319 816 HD1 PHE 113 1HD PHE 113 4.510 13.042 4.410 817 HD2 PHE 113 2HD PHE 113 3.610 8.856 4.066 818 HE1 PHE 113 1HE PHE 113 4.608 13.223 1.939 819 HE2 PHE 113 2HE PHE 113 3.710 9.037 1.596 820 HZ PHE 113 HZ PHE 113 4.208 11.221 0.531 821 H LEU 114 H LEU 114 4.352 9.206 8.397 822 HA LEU 114 HA LEU 114 5.493 6.600 7.595 823 HB2 LEU 114 2HB LEU 114 4.371 7.291 10.309 824 HB3 LEU 114 1HB LEU 114 5.443 5.959 9.877 825 HG LEU 114 HG LEU 114 6.941 8.060 9.041 826 HD11 LEU 114 1HD1 LEU 114 6.723 9.942 10.438 827 HD12 LEU 114 2HD1 LEU 114 5.746 9.067 11.617 828 HD13 LEU 114 3HD1 LEU 114 5.049 9.529 10.065 829 HD21 LEU 114 1HD2 LEU 114 6.740 6.664 11.707 830 HD22 LEU 114 2HD2 LEU 114 7.984 7.880 11.422 831 HD23 LEU 114 3HD2 LEU 114 7.928 6.427 10.426 832 H GLN 115 H GLN 115 4.181 4.912 7.158 833 HA GLN 115 HA GLN 115 1.267 5.323 7.489 834 HB2 GLN 115 2HB GLN 115 2.865 4.585 5.171 835 HB3 GLN 115 1HB GLN 115 1.611 3.392 5.514 836 HG2 GLN 115 2HG GLN 115 -0.114 5.066 5.454 837 HG3 GLN 115 1HG GLN 115 1.073 6.367 5.396 838 HE21 GLN 115 1HE2 GLN 115 0.035 3.478 3.502 839 HE22 GLN 115 2HE2 GLN 115 0.399 4.162 1.992 840 H ALA 116 H ALA 116 0.052 3.658 8.298 841 HA ALA 116 HA ALA 116 1.331 1.084 8.855 842 HB1 ALA 116 1HB ALA 116 -0.142 2.314 11.133 843 HB2 ALA 116 2HB ALA 116 1.493 2.898 10.812 844 HB3 ALA 116 3HB ALA 116 1.217 1.189 11.144 845 H GLY 117 H GLY 117 -0.124 -0.614 9.039 846 HA2 GLY 117 2HA GLY 117 -2.824 -0.560 9.566 847 HA3 GLY 117 1HA GLY 117 -2.696 -0.200 7.848 848 H LEU 118 H LEU 118 -3.912 -2.236 7.627 849 HA LEU 118 HA LEU 118 -2.052 -4.489 7.360 850 HB2 LEU 118 2HB LEU 118 -4.436 -5.685 8.202 851 HB3 LEU 118 1HB LEU 118 -2.933 -5.572 9.116 852 HG LEU 118 HG LEU 118 -3.656 -3.409 10.055 853 HD11 LEU 118 1HD1 LEU 118 -6.409 -3.375 9.472 854 HD12 LEU 118 2HD1 LEU 118 -5.611 -3.633 7.921 855 HD13 LEU 118 3HD1 LEU 118 -5.196 -2.229 8.904 856 HD21 LEU 118 1HD2 LEU 118 -4.337 -5.717 11.018 857 HD22 LEU 118 2HD2 LEU 118 -5.944 -5.348 10.390 858 HD23 LEU 118 3HD2 LEU 118 -5.208 -4.298 11.601 859 H SER 119 H SER 119 -3.115 -6.311 6.106 860 HA SER 119 HA SER 119 -5.121 -5.293 4.195 861 HB2 SER 119 2HB SER 119 -3.877 -6.049 2.323 862 HB3 SER 119 1HB SER 119 -2.724 -5.166 3.318 863 HG SER 119 HG SER 119 -2.650 -7.570 4.246 864 H TYR 120 H TYR 120 -6.277 -6.973 3.050 865 HA TYR 120 HA TYR 120 -6.032 -9.697 4.076 866 HB2 TYR 120 2HB TYR 120 -7.557 -9.094 5.702 867 HB3 TYR 120 1HB TYR 120 -8.302 -7.854 4.693 868 HD1 TYR 120 1HD TYR 120 -10.372 -8.314 3.707 869 HD2 TYR 120 2HD TYR 120 -7.774 -11.569 4.765 870 HE1 TYR 120 1HE TYR 120 -12.117 -9.932 3.015 871 HE2 TYR 120 2HE TYR 120 -9.524 -13.187 4.072 872 HH TYR 120 HH TYR 120 -12.736 -12.289 3.508 873 H ARG 121 H ARG 121 -6.518 -11.164 2.547 874 HA ARG 121 HA ARG 121 -7.188 -10.263 -0.102 875 HB2 ARG 121 2HB ARG 121 -6.925 -13.073 0.994 876 HB3 ARG 121 1HB ARG 121 -6.993 -12.631 -0.711 877 HG2 ARG 121 2HG ARG 121 -4.941 -11.284 -0.445 878 HG3 ARG 121 1HG ARG 121 -4.867 -11.734 1.258 879 HD2 ARG 121 2HD ARG 121 -3.674 -13.538 0.637 880 HD3 ARG 121 1HD ARG 121 -5.144 -14.164 -0.102 881 HE ARG 121 HE ARG 121 -4.147 -13.781 -2.148 882 HH11 ARG 121 1HH1 ARG 121 -2.651 -12.830 -3.566 883 HH12 ARG 121 2HH1 ARG 121 -1.584 -11.593 -2.990 884 HH21 ARG 121 1HH2 ARG 121 -2.829 -11.657 0.246 885 HH22 ARG 121 2HH2 ARG 121 -1.685 -10.929 -0.831 886 H ILE 122 H ILE 122 -9.179 -9.901 -0.816 887 HA ILE 122 HA ILE 122 -11.544 -10.229 0.523 888 HB ILE 122 HB ILE 122 -11.042 -9.103 -1.769 889 HG12 ILE 122 2HG1 ILE 122 -13.629 -10.607 -1.253 890 HG13 ILE 122 1HG1 ILE 122 -13.216 -9.013 -0.617 891 HG21 ILE 122 1HG2 ILE 122 -12.197 -11.682 -2.815 892 HG22 ILE 122 2HG2 ILE 122 -10.451 -11.454 -2.714 893 HG23 ILE 122 3HG2 ILE 122 -11.425 -10.375 -3.713 894 HD11 ILE 122 1HD1 ILE 122 -12.807 -8.492 -3.200 895 HD12 ILE 122 2HD1 ILE 122 -14.413 -8.371 -2.485 896 HD13 ILE 122 3HD1 ILE 122 -13.961 -9.810 -3.398 897 H GLN 123 H GLN 123 -9.719 -12.653 -1.208 898 HA GLN 123 HA GLN 123 -11.408 -14.729 -0.084 899 HB2 GLN 123 2HB GLN 123 -11.836 -15.817 -2.250 900 HB3 GLN 123 1HB GLN 123 -12.540 -14.200 -2.213 901 HG2 GLN 123 2HG GLN 123 -9.985 -13.717 -3.139 902 HG3 GLN 123 1HG GLN 123 -10.381 -15.259 -3.895 903 HE21 GLN 123 1HE2 GLN 123 -10.294 -12.293 -4.910 904 HE22 GLN 123 2HE2 GLN 123 -11.767 -12.136 -5.740 905 HA PRO 124 HA PRO 124 -7.403 -16.653 0.051 906 HB2 PRO 124 2HB PRO 124 -8.094 -19.296 0.233 907 HB3 PRO 124 1HB PRO 124 -8.230 -18.154 1.585 908 HG2 PRO 124 2HG PRO 124 -10.337 -19.181 -0.245 909 HG3 PRO 124 1HG PRO 124 -10.410 -18.852 1.495 910 HD2 PRO 124 2HD PRO 124 -11.443 -17.154 -0.390 911 HD3 PRO 124 1HD PRO 124 -10.839 -16.605 1.187 Start of MODEL 3 1 H1 MET 1 1HT MET 1 1.768 -19.137 -4.109 2 H2 MET 1 2HT MET 1 2.265 -18.813 -5.701 3 H3 MET 1 3HT MET 1 3.072 -19.988 -4.779 4 HA MET 1 HA MET 1 0.779 -20.264 -6.419 5 HB2 MET 1 2HB MET 1 2.553 -22.139 -4.835 6 HB3 MET 1 1HB MET 1 1.278 -22.698 -5.918 7 HG2 MET 1 2HG MET 1 3.306 -20.729 -6.929 8 HG3 MET 1 1HG MET 1 3.736 -22.436 -6.825 9 HE1 MET 1 1HE MET 1 4.089 -21.273 -9.336 10 HE2 MET 1 2HE MET 1 2.855 -20.016 -9.364 11 HE3 MET 1 3HE MET 1 2.819 -21.302 -10.568 12 H GLN 2 H GLN 2 -0.945 -19.287 -5.221 13 HA GLN 2 HA GLN 2 -2.120 -21.121 -3.261 14 HB2 GLN 2 2HB GLN 2 -2.722 -18.582 -2.249 15 HB3 GLN 2 1HB GLN 2 -1.641 -19.777 -1.529 16 HG2 GLN 2 2HG GLN 2 0.260 -18.859 -2.724 17 HG3 GLN 2 1HG GLN 2 -0.784 -17.755 -3.617 18 HE21 GLN 2 1HE2 GLN 2 1.252 -16.567 -2.181 19 HE22 GLN 2 2HE2 GLN 2 0.637 -15.811 -0.790 20 H ASP 3 H ASP 3 -2.385 -18.558 -5.597 21 HA ASP 3 HA ASP 3 -5.155 -19.289 -6.104 22 HB2 ASP 3 2HB ASP 3 -5.088 -16.425 -6.036 23 HB3 ASP 3 1HB ASP 3 -6.125 -17.525 -5.130 24 H GLY 4 H GLY 4 -5.908 -18.576 -8.146 25 HA2 GLY 4 2HA GLY 4 -3.847 -18.326 -10.126 26 HA3 GLY 4 1HA GLY 4 -5.584 -18.312 -10.420 27 HA PRO 5 HA PRO 5 -3.767 -13.993 -10.866 28 HB2 PRO 5 2HB PRO 5 -4.237 -13.689 -13.542 29 HB3 PRO 5 1HB PRO 5 -2.732 -14.362 -12.888 30 HG2 PRO 5 2HG PRO 5 -5.066 -15.756 -14.086 31 HG3 PRO 5 1HG PRO 5 -3.337 -16.124 -14.215 32 HD2 PRO 5 2HD PRO 5 -5.070 -17.481 -12.553 33 HD3 PRO 5 1HD PRO 5 -3.321 -17.350 -12.265 34 H GLY 6 H GLY 6 -5.008 -12.110 -10.949 35 HA2 GLY 6 2HA GLY 6 -6.947 -10.848 -11.575 36 HA3 GLY 6 1HA GLY 6 -7.833 -12.359 -11.754 37 H THR 7 H THR 7 -5.843 -12.288 -9.005 38 HA THR 7 HA THR 7 -8.112 -12.346 -7.236 39 HB THR 7 HB THR 7 -5.129 -12.487 -6.828 40 HG1 THR 7 1HG THR 7 -6.830 -14.400 -5.851 41 HG21 THR 7 1HG2 THR 7 -5.850 -13.063 -4.409 42 HG22 THR 7 2HG2 THR 7 -7.339 -12.204 -4.801 43 HG23 THR 7 3HG2 THR 7 -5.791 -11.361 -4.867 44 H LEU 8 H LEU 8 -8.558 -10.887 -5.534 45 HA LEU 8 HA LEU 8 -7.217 -8.273 -5.638 46 HB2 LEU 8 2HB LEU 8 -9.551 -7.219 -5.478 47 HB3 LEU 8 1HB LEU 8 -9.059 -7.830 -7.057 48 HG LEU 8 HG LEU 8 -10.339 -9.878 -5.398 49 HD11 LEU 8 1HD1 LEU 8 -11.622 -7.953 -4.578 50 HD12 LEU 8 2HD1 LEU 8 -12.624 -8.933 -5.648 51 HD13 LEU 8 3HD1 LEU 8 -11.919 -7.426 -6.235 52 HD21 LEU 8 1HD2 LEU 8 -9.859 -10.082 -7.821 53 HD22 LEU 8 2HD2 LEU 8 -10.940 -8.727 -8.143 54 HD23 LEU 8 3HD2 LEU 8 -11.585 -10.234 -7.495 55 H ASP 9 H ASP 9 -7.158 -7.200 -3.697 56 HA ASP 9 HA ASP 9 -8.646 -8.338 -1.430 57 HB2 ASP 9 2HB ASP 9 -5.808 -7.621 -0.923 58 HB3 ASP 9 1HB ASP 9 -6.803 -8.877 -0.188 59 H VAL 10 H VAL 10 -8.899 -6.900 0.338 60 HA VAL 10 HA VAL 10 -8.556 -4.068 -0.412 61 HB VAL 10 HB VAL 10 -10.864 -5.078 0.137 62 HG11 VAL 10 1HG1 VAL 10 -11.405 -5.494 2.388 63 HG12 VAL 10 2HG1 VAL 10 -9.985 -4.636 2.984 64 HG13 VAL 10 3HG1 VAL 10 -9.806 -6.218 2.227 65 HG21 VAL 10 1HG2 VAL 10 -11.207 -2.977 1.788 66 HG22 VAL 10 2HG2 VAL 10 -10.965 -2.779 0.053 67 HG23 VAL 10 3HG2 VAL 10 -9.608 -2.577 1.162 68 H PHE 11 H PHE 11 -7.390 -2.693 0.844 69 HA PHE 11 HA PHE 11 -6.585 -3.465 3.531 70 HB2 PHE 11 2HB PHE 11 -4.257 -3.532 3.156 71 HB3 PHE 11 1HB PHE 11 -4.937 -4.500 1.850 72 HD1 PHE 11 1HD PHE 11 -4.787 -3.794 -0.441 73 HD2 PHE 11 2HD PHE 11 -3.537 -1.176 2.728 74 HE1 PHE 11 1HE PHE 11 -3.745 -2.279 -2.105 75 HE2 PHE 11 2HE PHE 11 -2.495 0.339 1.063 76 HZ PHE 11 HZ PHE 11 -2.599 -0.212 -1.353 77 H VAL 12 H VAL 12 -6.248 -1.735 4.807 78 HA VAL 12 HA VAL 12 -6.316 0.930 3.527 79 HB VAL 12 HB VAL 12 -7.144 0.092 6.317 80 HG11 VAL 12 1HG1 VAL 12 -8.090 2.457 6.320 81 HG12 VAL 12 2HG1 VAL 12 -7.118 2.757 4.880 82 HG13 VAL 12 3HG1 VAL 12 -6.332 2.348 6.405 83 HG21 VAL 12 1HG2 VAL 12 -8.935 1.204 4.168 84 HG22 VAL 12 2HG2 VAL 12 -9.368 0.243 5.581 85 HG23 VAL 12 3HG2 VAL 12 -8.568 -0.520 4.208 86 H ALA 13 H ALA 13 -4.991 2.602 4.452 87 HA ALA 13 HA ALA 13 -2.952 1.880 6.366 88 HB1 ALA 13 1HB ALA 13 -2.145 1.092 4.064 89 HB2 ALA 13 2HB ALA 13 -1.066 2.161 4.961 90 HB3 ALA 13 3HB ALA 13 -2.045 2.802 3.641 91 H ALA 14 H ALA 14 -3.092 3.541 7.661 92 HA ALA 14 HA ALA 14 -3.337 6.267 6.538 93 HB1 ALA 14 1HB ALA 14 -4.862 4.951 8.530 94 HB2 ALA 14 2HB ALA 14 -4.968 6.637 8.029 95 HB3 ALA 14 3HB ALA 14 -3.896 6.176 9.352 96 H GLY 15 H GLY 15 -1.818 7.764 7.046 97 HA2 GLY 15 2HA GLY 15 0.151 7.121 9.143 98 HA3 GLY 15 1HA GLY 15 0.716 7.498 7.517 99 H TRP 16 H TRP 16 1.762 9.116 9.227 100 HA TRP 16 HA TRP 16 0.323 11.645 8.846 101 HB2 TRP 16 2HB TRP 16 1.396 12.021 11.339 102 HB3 TRP 16 1HB TRP 16 -0.292 11.621 11.024 103 HD1 TRP 16 HD TRP 16 2.849 9.366 10.894 104 HE1 TRP 16 1HE TRP 16 2.432 7.323 12.409 105 HE3 TRP 16 3HE TRP 16 -1.739 10.585 12.776 106 HZ2 TRP 16 2HZ TRP 16 0.419 6.336 14.186 107 HZ3 TRP 16 3HZ TRP 16 -2.882 9.077 14.377 108 HH2 TRP 16 HH TRP 16 -1.811 6.956 15.083 109 H ASN 17 H ASN 17 1.667 13.450 8.695 110 HA ASN 17 HA ASN 17 4.511 12.807 8.278 111 HB2 ASN 17 2HB ASN 17 3.554 15.467 7.476 112 HB3 ASN 17 1HB ASN 17 4.505 14.290 6.572 113 HD21 ASN 17 1HD2 ASN 17 3.382 13.656 4.734 114 HD22 ASN 17 2HD2 ASN 17 1.706 13.395 4.658 115 H THR 18 H THR 18 6.141 13.997 9.247 116 HA THR 18 HA THR 18 5.787 14.881 11.856 117 HB THR 18 HB THR 18 8.015 16.037 11.522 118 HG1 THR 18 1HG THR 18 8.965 15.823 9.534 119 HG21 THR 18 1HG2 THR 18 9.225 13.943 11.255 120 HG22 THR 18 2HG2 THR 18 7.825 13.195 10.487 121 HG23 THR 18 3HG2 THR 18 7.762 13.644 12.192 122 H ASP 19 H ASP 19 4.865 16.415 8.988 123 HA ASP 19 HA ASP 19 5.129 19.139 9.910 124 HB2 ASP 19 2HB ASP 19 4.967 18.120 7.450 125 HB3 ASP 19 1HB ASP 19 3.250 18.421 7.714 126 H ASN 20 H ASN 20 3.423 16.909 11.273 127 HA ASN 20 HA ASN 20 1.508 16.847 12.538 128 HB2 ASN 20 2HB ASN 20 2.416 19.178 13.125 129 HB3 ASN 20 1HB ASN 20 1.200 19.797 12.009 130 HD21 ASN 20 1HD2 ASN 20 0.940 20.514 14.690 131 HD22 ASN 20 2HD2 ASN 20 -0.363 19.683 15.389 132 H THR 21 H THR 21 1.092 15.939 10.072 133 HA THR 21 HA THR 21 -1.606 16.933 9.452 134 HB THR 21 HB THR 21 0.597 16.482 7.427 135 HG1 THR 21 1HG THR 21 0.559 18.522 8.425 136 HG21 THR 21 1HG2 THR 21 -2.389 16.819 7.135 137 HG22 THR 21 2HG2 THR 21 -1.359 15.566 6.443 138 HG23 THR 21 3HG2 THR 21 -1.274 17.215 5.827 139 H ILE 22 H ILE 22 -3.046 15.337 9.131 140 HA ILE 22 HA ILE 22 -2.026 12.573 9.111 141 HB ILE 22 HB ILE 22 -4.781 13.648 9.770 142 HG12 ILE 22 2HG1 ILE 22 -2.813 12.344 11.652 143 HG13 ILE 22 1HG1 ILE 22 -2.772 14.083 11.354 144 HG21 ILE 22 1HG2 ILE 22 -5.142 11.456 9.002 145 HG22 ILE 22 2HG2 ILE 22 -4.918 11.229 10.738 146 HG23 ILE 22 3HG2 ILE 22 -3.594 10.882 9.626 147 HD11 ILE 22 1HD1 ILE 22 -5.078 14.316 12.091 148 HD12 ILE 22 2HD1 ILE 22 -4.167 13.464 13.340 149 HD13 ILE 22 3HD1 ILE 22 -5.235 12.567 12.260 150 H GLU 23 H GLU 23 -2.478 11.181 7.477 151 HA GLU 23 HA GLU 23 -4.335 12.054 5.361 152 HB2 GLU 23 2HB GLU 23 -2.560 11.032 3.747 153 HB3 GLU 23 1HB GLU 23 -2.329 12.676 4.342 154 HG2 GLU 23 2HG GLU 23 -0.695 12.009 5.909 155 HG3 GLU 23 1HG GLU 23 -1.175 10.315 5.819 156 H ILE 24 H ILE 24 -5.779 10.509 5.005 157 HA ILE 24 HA ILE 24 -5.123 7.741 5.758 158 HB ILE 24 HB ILE 24 -7.117 8.403 6.825 159 HG12 ILE 24 2HG1 ILE 24 -8.265 7.226 4.302 160 HG13 ILE 24 1HG1 ILE 24 -7.170 6.272 5.303 161 HG21 ILE 24 1HG2 ILE 24 -8.990 9.334 5.150 162 HG22 ILE 24 2HG2 ILE 24 -7.561 9.880 4.271 163 HG23 ILE 24 3HG2 ILE 24 -7.829 10.405 5.932 164 HD11 ILE 24 1HD1 ILE 24 -8.621 6.595 7.248 165 HD12 ILE 24 2HD1 ILE 24 -9.551 5.904 5.918 166 HD13 ILE 24 3HD1 ILE 24 -9.698 7.620 6.299 167 H THR 25 H THR 25 -5.123 6.096 4.303 168 HA THR 25 HA THR 25 -5.972 6.670 1.540 169 HB THR 25 HB THR 25 -3.391 5.236 2.172 170 HG1 THR 25 1HG THR 25 -2.419 7.098 2.211 171 HG21 THR 25 1HG2 THR 25 -4.915 5.308 -0.108 172 HG22 THR 25 2HG2 THR 25 -3.176 5.023 -0.075 173 HG23 THR 25 3HG2 THR 25 -3.797 6.645 -0.380 174 H GLY 26 H GLY 26 -6.869 4.961 0.469 175 HA2 GLY 26 2HA GLY 26 -6.657 2.259 1.537 176 HA3 GLY 26 1HA GLY 26 -8.257 2.987 1.631 177 H GLY 27 H GLY 27 -7.084 0.703 0.011 178 HA2 GLY 27 2HA GLY 27 -8.550 1.227 -2.398 179 HA3 GLY 27 1HA GLY 27 -6.811 1.226 -2.677 180 H ALA 28 H ALA 28 -6.976 -0.642 -3.990 181 HA ALA 28 HA ALA 28 -7.126 -3.128 -2.431 182 HB1 ALA 28 1HB ALA 28 -9.291 -2.485 -3.830 183 HB2 ALA 28 2HB ALA 28 -8.709 -4.148 -3.756 184 HB3 ALA 28 3HB ALA 28 -8.338 -3.145 -5.158 185 H THR 29 H THR 29 -5.787 -4.762 -3.164 186 HA THR 29 HA THR 29 -3.833 -3.945 -5.218 187 HB THR 29 HB THR 29 -3.682 -5.766 -2.830 188 HG1 THR 29 1HG THR 29 -2.389 -3.479 -3.821 189 HG21 THR 29 1HG2 THR 29 -1.306 -6.235 -3.792 190 HG22 THR 29 2HG2 THR 29 -2.029 -5.809 -5.344 191 HG23 THR 29 3HG2 THR 29 -2.669 -7.166 -4.415 192 H TYR 30 H TYR 30 -3.580 -5.094 -7.048 193 HA TYR 30 HA TYR 30 -5.323 -7.444 -7.422 194 HB2 TYR 30 2HB TYR 30 -4.484 -5.210 -9.127 195 HB3 TYR 30 1HB TYR 30 -4.360 -6.785 -9.912 196 HD1 TYR 30 1HD TYR 30 -6.552 -4.120 -9.181 197 HD2 TYR 30 2HD TYR 30 -6.428 -8.406 -9.467 198 HE1 TYR 30 1HE TYR 30 -9.011 -4.172 -9.494 199 HE2 TYR 30 2HE TYR 30 -8.888 -8.455 -9.779 200 HH TYR 30 HH TYR 30 -10.653 -6.436 -10.769 201 H GLN 31 H GLN 31 -4.444 -9.404 -7.581 202 HA GLN 31 HA GLN 31 -1.521 -9.609 -7.906 203 HB2 GLN 31 2HB GLN 31 -3.332 -10.830 -6.116 204 HB3 GLN 31 1HB GLN 31 -2.781 -12.099 -7.211 205 HG2 GLN 31 2HG GLN 31 -0.426 -11.377 -6.790 206 HG3 GLN 31 1HG GLN 31 -1.027 -10.224 -5.601 207 HE21 GLN 31 1HE2 GLN 31 -1.352 -13.748 -6.345 208 HE22 GLN 31 2HE2 GLN 31 -1.325 -14.234 -4.719 209 H LEU 32 H LEU 32 -1.109 -9.741 -10.050 210 HA LEU 32 HA LEU 32 -2.727 -11.578 -11.689 211 HB2 LEU 32 2HB LEU 32 -0.768 -9.406 -12.466 212 HB3 LEU 32 1HB LEU 32 -1.600 -10.459 -13.611 213 HG LEU 32 HG LEU 32 -3.272 -9.040 -11.589 214 HD11 LEU 32 1HD1 LEU 32 -1.771 -7.728 -13.844 215 HD12 LEU 32 2HD1 LEU 32 -2.042 -7.139 -12.204 216 HD13 LEU 32 3HD1 LEU 32 -3.363 -7.132 -13.375 217 HD21 LEU 32 1HD2 LEU 32 -4.216 -10.625 -13.253 218 HD22 LEU 32 2HD2 LEU 32 -3.584 -9.616 -14.554 219 HD23 LEU 32 3HD2 LEU 32 -4.839 -8.993 -13.485 220 H SER 33 H SER 33 0.500 -10.999 -10.464 221 HA SER 33 HA SER 33 1.276 -13.711 -10.952 222 HB2 SER 33 2HB SER 33 1.786 -11.827 -13.034 223 HB3 SER 33 1HB SER 33 3.326 -12.265 -12.298 224 HG SER 33 HG SER 33 2.617 -13.702 -13.987 225 HA PRO 34 HA PRO 34 4.055 -12.760 -7.681 226 HB2 PRO 34 2HB PRO 34 6.245 -14.305 -8.260 227 HB3 PRO 34 1HB PRO 34 4.719 -14.960 -7.635 228 HG2 PRO 34 2HG PRO 34 5.768 -14.930 -10.416 229 HG3 PRO 34 1HG PRO 34 4.855 -16.186 -9.565 230 HD2 PRO 34 2HD PRO 34 3.714 -14.478 -11.380 231 HD3 PRO 34 1HD PRO 34 2.815 -15.210 -10.032 232 H TYR 35 H TYR 35 4.888 -11.997 -10.891 233 HA TYR 35 HA TYR 35 7.490 -10.991 -10.676 234 HB2 TYR 35 2HB TYR 35 5.155 -10.439 -12.454 235 HB3 TYR 35 1HB TYR 35 6.518 -9.320 -12.494 236 HD1 TYR 35 1HD TYR 35 8.539 -9.889 -13.594 237 HD2 TYR 35 2HD TYR 35 5.602 -12.922 -12.802 238 HE1 TYR 35 1HE TYR 35 9.815 -11.491 -14.994 239 HE2 TYR 35 2HE TYR 35 6.878 -14.524 -14.202 240 HH TYR 35 HH TYR 35 10.056 -13.721 -15.477 241 H ILE 36 H ILE 36 4.646 -8.870 -10.907 242 HA ILE 36 HA ILE 36 5.692 -7.272 -8.662 243 HB ILE 36 HB ILE 36 6.465 -6.227 -10.763 244 HG12 ILE 36 2HG1 ILE 36 4.192 -4.649 -9.523 245 HG13 ILE 36 1HG1 ILE 36 5.759 -4.872 -8.746 246 HG21 ILE 36 1HG2 ILE 36 4.514 -7.135 -12.115 247 HG22 ILE 36 2HG2 ILE 36 4.910 -5.443 -12.418 248 HG23 ILE 36 3HG2 ILE 36 3.529 -5.856 -11.402 249 HD11 ILE 36 1HD1 ILE 36 5.602 -2.728 -10.026 250 HD12 ILE 36 2HD1 ILE 36 5.375 -3.666 -11.501 251 HD13 ILE 36 3HD1 ILE 36 6.890 -3.784 -10.606 252 H MET 37 H MET 37 4.128 -6.119 -7.504 253 HA MET 37 HA MET 37 1.374 -7.063 -7.954 254 HB2 MET 37 2HB MET 37 2.365 -5.632 -5.496 255 HB3 MET 37 1HB MET 37 0.979 -6.711 -5.658 256 HG2 MET 37 2HG MET 37 2.770 -8.489 -6.352 257 HG3 MET 37 1HG MET 37 3.903 -7.400 -5.552 258 HE1 MET 37 1HE MET 37 1.432 -6.235 -3.403 259 HE2 MET 37 2HE MET 37 3.193 -6.207 -3.370 260 HE3 MET 37 3HE MET 37 2.306 -6.965 -2.049 261 H VAL 38 H VAL 38 -0.352 -5.653 -8.101 262 HA VAL 38 HA VAL 38 0.363 -2.841 -8.654 263 HB VAL 38 HB VAL 38 -1.919 -4.567 -9.625 264 HG11 VAL 38 1HG1 VAL 38 -2.214 -2.283 -11.010 265 HG12 VAL 38 2HG1 VAL 38 -1.575 -1.608 -9.511 266 HG13 VAL 38 3HG1 VAL 38 -3.053 -2.569 -9.486 267 HG21 VAL 38 1HG2 VAL 38 -0.211 -3.008 -11.468 268 HG22 VAL 38 2HG2 VAL 38 -0.776 -4.673 -11.596 269 HG23 VAL 38 3HG2 VAL 38 0.624 -4.291 -10.594 270 H LYS 39 H LYS 39 -0.709 -1.183 -7.649 271 HA LYS 39 HA LYS 39 -2.915 -1.818 -5.823 272 HB2 LYS 39 2HB LYS 39 -1.841 -0.630 -3.962 273 HB3 LYS 39 1HB LYS 39 -0.872 -2.017 -4.460 274 HG2 LYS 39 2HG LYS 39 0.301 -0.260 -6.034 275 HG3 LYS 39 1HG LYS 39 -0.344 0.906 -4.877 276 HD2 LYS 39 2HD LYS 39 1.499 -1.424 -4.290 277 HD3 LYS 39 1HD LYS 39 1.865 0.294 -4.125 278 HE2 LYS 39 2HE LYS 39 -0.219 0.281 -2.513 279 HE3 LYS 39 1HE LYS 39 0.127 -1.446 -2.405 280 HZ1 LYS 39 1HZ LYS 39 1.402 0.622 -1.067 281 HZ2 LYS 39 2HZ LYS 39 2.523 0.019 -2.191 282 HZ3 LYS 39 3HZ LYS 39 1.810 -1.023 -1.055 283 H ALA 40 H ALA 40 -4.411 -0.236 -5.732 284 HA ALA 40 HA ALA 40 -3.707 2.491 -6.525 285 HB1 ALA 40 1HB ALA 40 -5.619 0.708 -8.019 286 HB2 ALA 40 2HB ALA 40 -4.328 1.722 -8.660 287 HB3 ALA 40 3HB ALA 40 -5.802 2.462 -8.038 288 H GLY 41 H GLY 41 -4.746 3.938 -5.298 289 HA2 GLY 41 2HA GLY 41 -7.397 3.383 -4.230 290 HA3 GLY 41 1HA GLY 41 -6.113 3.512 -3.031 291 H TYR 42 H TYR 42 -7.583 5.333 -2.344 292 HA TYR 42 HA TYR 42 -6.764 7.821 -3.716 293 HB2 TYR 42 2HB TYR 42 -9.023 8.732 -2.940 294 HB3 TYR 42 1HB TYR 42 -9.054 7.597 -4.290 295 HD1 TYR 42 1HD TYR 42 -9.664 7.991 -0.659 296 HD2 TYR 42 2HD TYR 42 -10.014 5.396 -4.065 297 HE1 TYR 42 1HE TYR 42 -11.142 6.481 0.642 298 HE2 TYR 42 2HE TYR 42 -11.491 3.886 -2.764 299 HH TYR 42 HH TYR 42 -13.084 4.211 -0.695 300 H GLY 43 H GLY 43 -6.174 9.504 -2.406 301 HA2 GLY 43 2HA GLY 43 -5.952 8.882 0.474 302 HA3 GLY 43 1HA GLY 43 -4.886 9.966 -0.413 303 H TRP 44 H TRP 44 -7.174 9.993 1.858 304 HA TRP 44 HA TRP 44 -8.541 12.423 0.908 305 HB2 TRP 44 2HB TRP 44 -9.531 10.216 2.208 306 HB3 TRP 44 1HB TRP 44 -9.295 11.352 3.536 307 HD1 TRP 44 HD TRP 44 -11.012 13.234 3.797 308 HE1 TRP 44 1HE TRP 44 -13.019 14.073 2.414 309 HE3 TRP 44 3HE TRP 44 -10.390 10.449 -0.439 310 HZ2 TRP 44 2HZ TRP 44 -14.204 13.624 -0.151 311 HZ3 TRP 44 3HZ TRP 44 -11.971 10.675 -2.334 312 HH2 TRP 44 HH TRP 44 -13.875 12.256 -2.197 313 H ASN 45 H ASN 45 -8.324 14.373 1.928 314 HA ASN 45 HA ASN 45 -6.650 14.515 4.341 315 HB2 ASN 45 2HB ASN 45 -6.123 15.933 1.729 316 HB3 ASN 45 1HB ASN 45 -5.464 16.497 3.264 317 HD21 ASN 45 1HD2 ASN 45 -3.510 15.557 3.901 318 HD22 ASN 45 2HD2 ASN 45 -2.873 14.124 3.251 319 H ASN 46 H ASN 46 -7.491 17.210 2.267 320 HA ASN 46 HA ASN 46 -9.913 17.924 3.595 321 HB2 ASN 46 2HB ASN 46 -7.809 18.389 5.209 322 HB3 ASN 46 1HB ASN 46 -7.803 19.890 4.287 323 HD21 ASN 46 1HD2 ASN 46 -9.245 21.477 4.993 324 HD22 ASN 46 2HD2 ASN 46 -10.567 21.193 6.019 325 H SER 47 H SER 47 -9.867 20.658 3.339 326 HA SER 47 HA SER 47 -10.244 22.287 1.762 327 HB2 SER 47 2HB SER 47 -7.559 21.197 1.205 328 HB3 SER 47 1HB SER 47 -8.294 22.090 -0.124 329 HG SER 47 HG SER 47 -8.771 23.722 1.556 330 H SER 48 H SER 48 -10.997 19.281 1.257 331 HA SER 48 HA SER 48 -12.446 18.322 -0.274 332 HB2 SER 48 2HB SER 48 -12.833 20.912 -0.832 333 HB3 SER 48 1HB SER 48 -12.017 20.439 -2.319 334 HG SER 48 HG SER 48 -14.012 19.852 -2.788 335 H LEU 49 H LEU 49 -9.545 19.885 -1.583 336 HA LEU 49 HA LEU 49 -9.072 18.506 -3.883 337 HB2 LEU 49 2HB LEU 49 -6.975 18.998 -1.755 338 HB3 LEU 49 1HB LEU 49 -6.694 18.794 -3.484 339 HG LEU 49 HG LEU 49 -8.308 21.030 -2.217 340 HD11 LEU 49 1HD1 LEU 49 -5.880 21.232 -1.819 341 HD12 LEU 49 2HD1 LEU 49 -6.437 22.461 -2.954 342 HD13 LEU 49 3HD1 LEU 49 -5.581 21.037 -3.546 343 HD21 LEU 49 1HD2 LEU 49 -9.245 20.803 -4.339 344 HD22 LEU 49 2HD2 LEU 49 -7.754 20.180 -5.045 345 HD23 LEU 49 3HD2 LEU 49 -7.909 21.899 -4.685 346 H ASN 50 H ASN 50 -7.958 16.575 -4.440 347 HA ASN 50 HA ASN 50 -7.751 14.544 -2.317 348 HB2 ASN 50 2HB ASN 50 -9.048 13.949 -4.976 349 HB3 ASN 50 1HB ASN 50 -9.003 12.932 -3.536 350 HD21 ASN 50 1HD2 ASN 50 -10.823 15.356 -5.176 351 HD22 ASN 50 2HD2 ASN 50 -11.939 15.666 -3.935 352 H ARG 51 H ARG 51 -6.499 12.642 -2.999 353 HA ARG 51 HA ARG 51 -4.706 13.140 -5.283 354 HB2 ARG 51 2HB ARG 51 -3.665 12.212 -2.607 355 HB3 ARG 51 1HB ARG 51 -2.742 12.766 -4.005 356 HG2 ARG 51 2HG ARG 51 -3.731 15.025 -3.748 357 HG3 ARG 51 1HG ARG 51 -4.604 14.467 -2.319 358 HD2 ARG 51 2HD ARG 51 -2.798 14.887 -1.054 359 HD3 ARG 51 1HD ARG 51 -1.869 13.730 -2.001 360 HE ARG 51 HE ARG 51 -1.959 16.084 -3.490 361 HH11 ARG 51 1HH1 ARG 51 -0.241 17.567 -3.396 362 HH12 ARG 51 2HH1 ARG 51 0.817 17.574 -2.025 363 HH21 ARG 51 1HH2 ARG 51 -0.825 14.980 -0.412 364 HH22 ARG 51 2HH2 ARG 51 0.486 16.109 -0.335 365 H PHE 52 H PHE 52 -4.636 11.409 -6.548 366 HA PHE 52 HA PHE 52 -5.437 8.803 -5.436 367 HB2 PHE 52 2HB PHE 52 -5.141 9.599 -8.339 368 HB3 PHE 52 1HB PHE 52 -5.903 8.139 -7.709 369 HD1 PHE 52 1HD PHE 52 -8.152 8.155 -6.897 370 HD2 PHE 52 2HD PHE 52 -6.176 11.842 -7.872 371 HE1 PHE 52 1HE PHE 52 -10.308 9.364 -6.697 372 HE2 PHE 52 2HE PHE 52 -8.332 13.051 -7.672 373 HZ PHE 52 HZ PHE 52 -10.397 11.811 -7.084 374 H GLU 53 H GLU 53 -3.927 7.329 -5.025 375 HA GLU 53 HA GLU 53 -1.223 7.719 -6.096 376 HB2 GLU 53 2HB GLU 53 -2.359 6.090 -3.830 377 HB3 GLU 53 1HB GLU 53 -0.723 5.819 -4.431 378 HG2 GLU 53 2HG GLU 53 -0.011 7.985 -3.829 379 HG3 GLU 53 1HG GLU 53 -1.662 8.589 -3.704 380 H PHE 54 H PHE 54 -0.322 6.406 -7.571 381 HA PHE 54 HA PHE 54 -1.624 3.833 -8.173 382 HB2 PHE 54 2HB PHE 54 -1.935 6.074 -9.783 383 HB3 PHE 54 1HB PHE 54 -0.638 5.172 -10.566 384 HD1 PHE 54 1HD PHE 54 -4.182 5.189 -9.647 385 HD2 PHE 54 2HD PHE 54 -0.997 2.841 -11.321 386 HE1 PHE 54 1HE PHE 54 -5.840 3.571 -10.535 387 HE2 PHE 54 2HE PHE 54 -2.654 1.225 -12.209 388 HZ PHE 54 HZ PHE 54 -5.077 1.589 -11.816 389 H GLY 55 H GLY 55 -0.192 2.227 -8.276 390 HA2 GLY 55 2HA GLY 55 2.291 2.294 -9.572 391 HA3 GLY 55 1HA GLY 55 2.574 2.612 -7.863 392 H GLY 56 H GLY 56 3.716 0.635 -7.646 393 HA2 GLY 56 2HA GLY 56 1.931 -1.688 -7.344 394 HA3 GLY 56 1HA GLY 56 3.412 -1.870 -8.282 395 H GLY 57 H GLY 57 3.187 -3.515 -6.202 396 HA2 GLY 57 2HA GLY 57 4.927 -2.343 -4.107 397 HA3 GLY 57 1HA GLY 57 3.694 -3.549 -3.763 398 H LEU 58 H LEU 58 5.979 -4.336 -2.845 399 HA LEU 58 HA LEU 58 6.808 -6.466 -4.662 400 HB2 LEU 58 2HB LEU 58 8.326 -4.266 -4.771 401 HB3 LEU 58 1HB LEU 58 9.037 -5.005 -3.339 402 HG LEU 58 HG LEU 58 9.242 -7.157 -4.667 403 HD11 LEU 58 1HD1 LEU 58 9.366 -5.983 -7.260 404 HD12 LEU 58 2HD1 LEU 58 7.788 -5.581 -6.584 405 HD13 LEU 58 3HD1 LEU 58 8.293 -7.265 -6.704 406 HD21 LEU 58 1HD2 LEU 58 10.732 -4.763 -5.785 407 HD22 LEU 58 2HD2 LEU 58 11.284 -6.437 -5.783 408 HD23 LEU 58 3HD2 LEU 58 11.126 -5.559 -4.262 409 H GLN 59 H GLN 59 7.211 -8.314 -3.621 410 HA GLN 59 HA GLN 59 7.988 -8.336 -0.807 411 HB2 GLN 59 2HB GLN 59 6.036 -10.202 -0.669 412 HB3 GLN 59 1HB GLN 59 5.796 -8.519 -0.198 413 HG2 GLN 59 2HG GLN 59 4.028 -9.377 -1.757 414 HG3 GLN 59 1HG GLN 59 4.896 -7.976 -2.382 415 HE21 GLN 59 1HE2 GLN 59 4.689 -11.540 -2.643 416 HE22 GLN 59 2HE2 GLN 59 5.396 -11.622 -4.185 417 H TYR 60 H TYR 60 8.494 -10.617 -0.078 418 HA TYR 60 HA TYR 60 8.894 -12.553 -2.216 419 HB2 TYR 60 2HB TYR 60 11.040 -10.825 -1.244 420 HB3 TYR 60 1HB TYR 60 11.420 -12.540 -1.093 421 HD1 TYR 60 1HD TYR 60 10.590 -9.818 -3.438 422 HD2 TYR 60 2HD TYR 60 11.592 -13.978 -3.054 423 HE1 TYR 60 1HE TYR 60 11.017 -9.942 -5.879 424 HE2 TYR 60 2HE TYR 60 12.018 -14.101 -5.493 425 HH TYR 60 HH TYR 60 11.744 -13.021 -7.462 426 H LYS 61 H LYS 61 9.372 -14.644 -1.471 427 HA LYS 61 HA LYS 61 9.103 -15.022 1.455 428 HB2 LYS 61 2HB LYS 61 7.141 -15.696 -0.151 429 HB3 LYS 61 1HB LYS 61 8.173 -17.080 -0.516 430 HG2 LYS 61 2HG LYS 61 8.376 -17.376 2.036 431 HG3 LYS 61 1HG LYS 61 7.005 -16.273 2.149 432 HD2 LYS 61 2HD LYS 61 7.059 -18.879 0.597 433 HD3 LYS 61 1HD LYS 61 6.228 -18.607 2.129 434 HE2 LYS 61 2HE LYS 61 5.111 -16.609 0.797 435 HE3 LYS 61 1HE LYS 61 5.542 -17.589 -0.604 436 HZ1 LYS 61 1HZ LYS 61 3.285 -17.990 0.465 437 HZ2 LYS 61 2HZ LYS 61 4.137 -18.755 1.719 438 HZ3 LYS 61 3HZ LYS 61 4.240 -19.352 0.131 439 H VAL 62 H VAL 62 11.253 -15.309 1.931 440 HA VAL 62 HA VAL 62 12.523 -17.697 0.737 441 HB VAL 62 HB VAL 62 13.846 -15.051 1.373 442 HG11 VAL 62 1HG1 VAL 62 15.773 -16.445 0.166 443 HG12 VAL 62 2HG1 VAL 62 14.894 -17.806 0.863 444 HG13 VAL 62 3HG1 VAL 62 15.534 -16.539 1.911 445 HG21 VAL 62 1HG2 VAL 62 14.392 -15.155 -1.079 446 HG22 VAL 62 2HG2 VAL 62 12.665 -15.011 -0.753 447 HG23 VAL 62 3HG2 VAL 62 13.352 -16.572 -1.207 448 H THR 63 H THR 63 11.267 -16.376 3.460 449 HA THR 63 HA THR 63 13.036 -17.995 5.184 450 HB THR 63 HB THR 63 13.604 -16.202 6.417 451 HG1 THR 63 1HG THR 63 10.817 -15.716 6.407 452 HG21 THR 63 1HG2 THR 63 11.921 -14.611 4.464 453 HG22 THR 63 2HG2 THR 63 13.600 -15.082 4.209 454 HG23 THR 63 3HG2 THR 63 13.185 -13.964 5.509 455 HA PRO 64 HA PRO 64 9.572 -19.920 7.095 456 HB2 PRO 64 2HB PRO 64 9.896 -18.195 9.522 457 HB3 PRO 64 1HB PRO 64 9.714 -19.956 9.409 458 HG2 PRO 64 2HG PRO 64 12.082 -18.819 9.867 459 HG3 PRO 64 1HG PRO 64 11.921 -20.289 8.893 460 HD2 PRO 64 2HD PRO 64 12.557 -17.527 8.021 461 HD3 PRO 64 1HD PRO 64 12.946 -19.074 7.241 462 H ASP 65 H ASP 65 9.755 -16.533 6.742 463 HA ASP 65 HA ASP 65 7.336 -15.961 5.737 464 HB2 ASP 65 2HB ASP 65 5.932 -16.682 7.418 465 HB3 ASP 65 1HB ASP 65 7.097 -16.326 8.693 466 H LEU 66 H LEU 66 8.618 -14.363 4.799 467 HA LEU 66 HA LEU 66 8.776 -11.893 6.318 468 HB2 LEU 66 2HB LEU 66 11.025 -13.496 6.321 469 HB3 LEU 66 1HB LEU 66 11.326 -12.401 4.972 470 HG LEU 66 HG LEU 66 10.577 -11.573 7.793 471 HD11 LEU 66 1HD1 LEU 66 13.157 -11.162 6.255 472 HD12 LEU 66 2HD1 LEU 66 12.917 -12.429 7.457 473 HD13 LEU 66 3HD1 LEU 66 12.847 -10.735 7.938 474 HD21 LEU 66 1HD2 LEU 66 10.704 -10.150 5.186 475 HD22 LEU 66 2HD2 LEU 66 11.454 -9.324 6.553 476 HD23 LEU 66 3HD2 LEU 66 9.752 -9.780 6.624 477 H GLU 67 H GLU 67 7.628 -10.688 4.932 478 HA GLU 67 HA GLU 67 8.326 -10.814 2.061 479 HB2 GLU 67 2HB GLU 67 5.747 -9.985 3.396 480 HB3 GLU 67 1HB GLU 67 6.054 -9.936 1.660 481 HG2 GLU 67 2HG GLU 67 5.444 -12.094 1.516 482 HG3 GLU 67 1HG GLU 67 6.801 -12.524 2.555 483 HA PRO 68 HA PRO 68 9.960 -6.711 3.445 484 HB2 PRO 68 2HB PRO 68 11.025 -6.884 0.664 485 HB3 PRO 68 1HB PRO 68 11.857 -6.425 2.161 486 HG2 PRO 68 2HG PRO 68 12.250 -8.796 1.004 487 HG3 PRO 68 1HG PRO 68 12.261 -8.597 2.764 488 HD2 PRO 68 2HD PRO 68 10.172 -9.822 1.022 489 HD3 PRO 68 1HD PRO 68 10.601 -10.196 2.706 490 H TYR 69 H TYR 69 9.479 -4.556 2.581 491 HA TYR 69 HA TYR 69 7.244 -4.592 0.638 492 HB2 TYR 69 2HB TYR 69 7.047 -3.844 3.237 493 HB3 TYR 69 1HB TYR 69 7.454 -2.301 2.485 494 HD1 TYR 69 1HD TYR 69 5.951 -1.227 0.910 495 HD2 TYR 69 2HD TYR 69 5.011 -5.070 2.583 496 HE1 TYR 69 1HE TYR 69 3.628 -1.025 0.067 497 HE2 TYR 69 2HE TYR 69 2.688 -4.868 1.741 498 HH TYR 69 HH TYR 69 1.751 -2.751 -0.575 499 H ALA 70 H ALA 70 7.446 -3.425 -1.127 500 HA ALA 70 HA ALA 70 9.160 -1.069 -1.197 501 HB1 ALA 70 1HB ALA 70 10.240 -3.515 -1.975 502 HB2 ALA 70 2HB ALA 70 10.852 -1.921 -2.415 503 HB3 ALA 70 3HB ALA 70 9.742 -2.767 -3.492 504 H TRP 71 H TRP 71 8.047 0.439 -2.260 505 HA TRP 71 HA TRP 71 6.395 -0.375 -4.557 506 HB2 TRP 71 2HB TRP 71 4.480 0.785 -3.797 507 HB3 TRP 71 1HB TRP 71 5.033 -0.144 -2.403 508 HD1 TRP 71 HD TRP 71 6.465 1.217 -0.531 509 HE1 TRP 71 1HE TRP 71 6.323 3.690 0.185 510 HE3 TRP 71 3HE TRP 71 3.996 3.160 -4.556 511 HZ2 TRP 71 2HZ TRP 71 5.296 6.165 -0.816 512 HZ3 TRP 71 3HZ TRP 71 3.448 5.576 -4.649 513 HH2 TRP 71 HH TRP 71 4.095 7.079 -2.787 514 H ALA 72 H ALA 72 5.804 1.393 -5.966 515 HA ALA 72 HA ALA 72 7.136 3.945 -5.650 516 HB1 ALA 72 1HB ALA 72 8.987 2.584 -6.501 517 HB2 ALA 72 2HB ALA 72 8.463 3.740 -7.725 518 HB3 ALA 72 3HB ALA 72 7.988 2.047 -7.851 519 H GLY 73 H GLY 73 6.337 5.516 -7.059 520 HA2 GLY 73 2HA GLY 73 4.923 5.237 -9.396 521 HA3 GLY 73 1HA GLY 73 3.724 4.995 -8.128 522 H ALA 74 H ALA 74 2.729 6.952 -9.016 523 HA ALA 74 HA ALA 74 3.876 9.356 -7.764 524 HB1 ALA 74 1HB ALA 74 2.511 9.810 -10.342 525 HB2 ALA 74 2HB ALA 74 4.072 9.000 -10.453 526 HB3 ALA 74 3HB ALA 74 3.953 10.578 -9.676 527 H THR 75 H THR 75 2.358 10.892 -7.094 528 HA THR 75 HA THR 75 -0.397 9.855 -6.908 529 HB THR 75 HB THR 75 -0.483 10.694 -4.809 530 HG1 THR 75 1HG THR 75 -0.435 12.844 -5.778 531 HG21 THR 75 1HG2 THR 75 2.489 11.121 -5.198 532 HG22 THR 75 2HG2 THR 75 1.748 9.542 -4.940 533 HG23 THR 75 3HG2 THR 75 1.657 10.775 -3.683 534 H TYR 76 H TYR 76 -1.786 10.695 -8.317 535 HA TYR 76 HA TYR 76 -1.265 13.295 -9.533 536 HB2 TYR 76 2HB TYR 76 -2.586 10.901 -10.334 537 HB3 TYR 76 1HB TYR 76 -3.773 12.206 -10.352 538 HD1 TYR 76 1HD TYR 76 -3.663 13.968 -11.964 539 HD2 TYR 76 2HD TYR 76 -0.435 11.157 -11.608 540 HE1 TYR 76 1HE TYR 76 -2.669 14.845 -14.060 541 HE2 TYR 76 2HE TYR 76 0.560 12.035 -13.704 542 HH TYR 76 HH TYR 76 -1.118 14.469 -15.655 543 H ASN 77 H ASN 77 -1.967 15.083 -8.570 544 HA ASN 77 HA ASN 77 -4.145 14.972 -6.639 545 HB2 ASN 77 2HB ASN 77 -2.917 17.559 -7.438 546 HB3 ASN 77 1HB ASN 77 -3.348 16.963 -5.836 547 HD21 ASN 77 1HD2 ASN 77 -1.887 15.123 -4.993 548 HD22 ASN 77 2HD2 ASN 77 -0.245 15.177 -5.418 549 H THR 78 H THR 78 -6.059 16.179 -6.791 550 HA THR 78 HA THR 78 -7.450 16.142 -9.159 551 HB THR 78 HB THR 78 -7.910 18.301 -7.108 552 HG1 THR 78 1HG THR 78 -7.485 16.163 -6.186 553 HG21 THR 78 1HG2 THR 78 -9.921 16.552 -8.514 554 HG22 THR 78 2HG2 THR 78 -9.277 18.000 -9.285 555 HG23 THR 78 3HG2 THR 78 -10.167 18.132 -7.769 556 H ASP 79 H ASP 79 -5.102 18.463 -8.092 557 HA ASP 79 HA ASP 79 -5.838 20.534 -9.946 558 HB2 ASP 79 2HB ASP 79 -3.313 20.056 -8.348 559 HB3 ASP 79 1HB ASP 79 -3.616 21.495 -9.319 560 H ASN 80 H ASN 80 -5.414 17.815 -11.031 561 HA ASN 80 HA ASN 80 -4.329 16.741 -12.761 562 HB2 ASN 80 2HB ASN 80 -3.770 19.414 -13.978 563 HB3 ASN 80 1HB ASN 80 -4.386 17.945 -14.732 564 HD21 ASN 80 1HD2 ASN 80 -6.698 17.375 -14.266 565 HD22 ASN 80 2HD2 ASN 80 -7.787 18.608 -13.847 566 H THR 81 H THR 81 -2.664 17.671 -10.487 567 HA THR 81 HA THR 81 -0.086 18.136 -11.841 568 HB THR 81 HB THR 81 -0.815 18.378 -8.913 569 HG1 THR 81 1HG THR 81 -0.361 20.657 -9.537 570 HG21 THR 81 1HG2 THR 81 1.485 17.930 -8.945 571 HG22 THR 81 2HG2 THR 81 1.436 19.692 -9.011 572 HG23 THR 81 3HG2 THR 81 1.721 18.763 -10.482 573 H LEU 82 H LEU 82 1.805 16.990 -10.858 574 HA LEU 82 HA LEU 82 1.098 14.282 -9.911 575 HB2 LEU 82 2HB LEU 82 3.027 13.460 -11.338 576 HB3 LEU 82 1HB LEU 82 1.598 13.984 -12.230 577 HG LEU 82 HG LEU 82 3.524 16.142 -11.678 578 HD11 LEU 82 1HD1 LEU 82 4.256 13.856 -13.536 579 HD12 LEU 82 2HD1 LEU 82 5.105 14.292 -12.052 580 HD13 LEU 82 3HD1 LEU 82 5.110 15.396 -13.428 581 HD21 LEU 82 1HD2 LEU 82 2.936 16.786 -13.904 582 HD22 LEU 82 2HD2 LEU 82 1.454 16.156 -13.185 583 HD23 LEU 82 3HD2 LEU 82 2.385 15.159 -14.303 584 H VAL 83 H VAL 83 2.563 13.329 -8.498 585 HA VAL 83 HA VAL 83 4.922 14.905 -7.715 586 HB VAL 83 HB VAL 83 2.782 13.927 -5.814 587 HG11 VAL 83 1HG1 VAL 83 5.578 14.972 -5.428 588 HG12 VAL 83 2HG1 VAL 83 4.780 13.617 -4.630 589 HG13 VAL 83 3HG1 VAL 83 4.345 15.272 -4.202 590 HG21 VAL 83 1HG2 VAL 83 2.615 16.360 -5.282 591 HG22 VAL 83 2HG2 VAL 83 2.180 16.008 -6.954 592 HG23 VAL 83 3HG2 VAL 83 3.760 16.698 -6.580 593 HA PRO 84 HA PRO 84 5.911 10.391 -8.301 594 HB2 PRO 84 2HB PRO 84 8.610 11.656 -8.408 595 HB3 PRO 84 1HB PRO 84 7.898 10.425 -9.467 596 HG2 PRO 84 2HG PRO 84 8.166 12.960 -10.249 597 HG3 PRO 84 1HG PRO 84 6.780 11.970 -10.738 598 HD2 PRO 84 2HD PRO 84 6.899 14.184 -8.741 599 HD3 PRO 84 1HD PRO 84 5.551 13.672 -9.781 600 H ALA 85 H ALA 85 6.459 9.004 -6.678 601 HA ALA 85 HA ALA 85 8.168 9.909 -4.487 602 HB1 ALA 85 1HB ALA 85 5.444 8.760 -3.881 603 HB2 ALA 85 2HB ALA 85 5.752 10.496 -3.933 604 HB3 ALA 85 3HB ALA 85 6.593 9.486 -2.757 605 H ALA 86 H ALA 86 8.349 8.017 -2.832 606 HA ALA 86 HA ALA 86 7.908 5.356 -3.745 607 HB1 ALA 86 1HB ALA 86 10.821 6.072 -3.768 608 HB2 ALA 86 2HB ALA 86 9.849 6.315 -5.220 609 HB3 ALA 86 3HB ALA 86 10.005 4.702 -4.520 610 H GLY 87 H GLY 87 8.128 3.945 -2.074 611 HA2 GLY 87 2HA GLY 87 9.682 4.788 0.284 612 HA3 GLY 87 1HA GLY 87 7.991 4.338 0.481 613 H ALA 88 H ALA 88 9.485 2.860 1.972 614 HA ALA 88 HA ALA 88 9.340 0.228 0.792 615 HB1 ALA 88 1HB ALA 88 11.916 0.135 1.844 616 HB2 ALA 88 2HB ALA 88 11.881 1.641 0.925 617 HB3 ALA 88 3HB ALA 88 11.486 0.115 0.134 618 H GLY 89 H GLY 89 9.146 -1.365 2.330 619 HA2 GLY 89 2HA GLY 89 9.805 -0.852 5.110 620 HA3 GLY 89 1HA GLY 89 8.080 -0.930 4.770 621 H PHE 90 H PHE 90 7.573 -2.817 5.786 622 HA PHE 90 HA PHE 90 8.438 -5.269 4.483 623 HB2 PHE 90 2HB PHE 90 8.723 -6.117 7.040 624 HB3 PHE 90 1HB PHE 90 10.072 -5.584 6.035 625 HD1 PHE 90 1HD PHE 90 7.568 -4.412 8.540 626 HD2 PHE 90 2HD PHE 90 11.312 -3.638 6.581 627 HE1 PHE 90 1HE PHE 90 8.005 -2.546 10.113 628 HE2 PHE 90 2HE PHE 90 11.749 -1.772 8.155 629 HZ PHE 90 HZ PHE 90 10.096 -1.225 9.921 630 H ARG 91 H ARG 91 7.192 -7.171 5.321 631 HA ARG 91 HA ARG 91 4.646 -6.404 6.593 632 HB2 ARG 91 2HB ARG 91 4.062 -6.375 4.289 633 HB3 ARG 91 1HB ARG 91 4.985 -7.841 3.960 634 HG2 ARG 91 2HG ARG 91 3.373 -9.224 4.854 635 HG3 ARG 91 1HG ARG 91 2.829 -8.013 6.016 636 HD2 ARG 91 2HD ARG 91 1.179 -8.476 4.172 637 HD3 ARG 91 1HD ARG 91 1.658 -6.788 4.302 638 HE ARG 91 HE ARG 91 2.643 -6.967 2.208 639 HH11 ARG 91 1HH1 ARG 91 3.202 -8.092 0.315 640 HH12 ARG 91 2HH1 ARG 91 3.129 -9.822 0.288 641 HH21 ARG 91 1HH2 ARG 91 2.051 -10.091 3.572 642 HH22 ARG 91 2HH2 ARG 91 2.477 -10.954 2.133 643 H TYR 92 H TYR 92 4.206 -7.706 8.233 644 HA TYR 92 HA TYR 92 5.442 -10.393 8.286 645 HB2 TYR 92 2HB TYR 92 5.973 -8.556 10.079 646 HB3 TYR 92 1HB TYR 92 4.400 -9.013 10.735 647 HD1 TYR 92 1HD TYR 92 4.074 -11.104 11.855 648 HD2 TYR 92 2HD TYR 92 7.770 -10.283 9.827 649 HE1 TYR 92 1HE TYR 92 5.092 -13.109 12.900 650 HE2 TYR 92 2HE TYR 92 8.789 -12.289 10.873 651 HH TYR 92 HH TYR 92 7.904 -14.508 11.833 652 H LYS 93 H LYS 93 4.165 -12.147 8.456 653 HA LYS 93 HA LYS 93 1.306 -11.800 8.204 654 HB2 LYS 93 2HB LYS 93 2.986 -13.644 7.203 655 HB3 LYS 93 1HB LYS 93 2.462 -14.499 8.654 656 HG2 LYS 93 2HG LYS 93 0.092 -14.081 8.006 657 HG3 LYS 93 1HG LYS 93 0.658 -13.325 6.518 658 HD2 LYS 93 2HD LYS 93 1.634 -15.376 5.743 659 HD3 LYS 93 1HD LYS 93 1.402 -16.149 7.310 660 HE2 LYS 93 2HE LYS 93 -0.740 -16.694 6.836 661 HE3 LYS 93 1HE LYS 93 -1.091 -15.080 6.218 662 HZ1 LYS 93 1HZ LYS 93 -0.359 -15.634 4.111 663 HZ2 LYS 93 2HZ LYS 93 -1.153 -17.053 4.604 664 HZ3 LYS 93 3HZ LYS 93 0.542 -16.967 4.648 665 H VAL 94 H VAL 94 0.226 -11.256 10.010 666 HA VAL 94 HA VAL 94 0.988 -12.424 12.582 667 HB VAL 94 HB VAL 94 -0.755 -10.872 13.484 668 HG11 VAL 94 1HG1 VAL 94 1.558 -9.930 11.807 669 HG12 VAL 94 2HG1 VAL 94 1.390 -9.945 13.564 670 HG13 VAL 94 3HG1 VAL 94 0.520 -8.748 12.606 671 HG21 VAL 94 1HG2 VAL 94 -0.888 -9.949 10.594 672 HG22 VAL 94 2HG2 VAL 94 -1.720 -9.205 11.959 673 HG23 VAL 94 3HG2 VAL 94 -2.164 -10.830 11.435 674 H SER 95 H SER 95 -1.551 -12.570 10.175 675 HA SER 95 HA SER 95 -2.624 -14.948 11.483 676 HB2 SER 95 2HB SER 95 -3.900 -12.416 11.717 677 HB3 SER 95 1HB SER 95 -4.874 -13.405 10.633 678 HG SER 95 HG SER 95 -4.790 -13.534 13.234 679 HA PRO 96 HA PRO 96 -3.174 -16.266 7.318 680 HB2 PRO 96 2HB PRO 96 -5.418 -17.811 7.450 681 HB3 PRO 96 1HB PRO 96 -3.864 -18.303 8.152 682 HG2 PRO 96 2HG PRO 96 -6.263 -17.152 9.486 683 HG3 PRO 96 1HG PRO 96 -5.172 -18.437 10.035 684 HD2 PRO 96 2HD PRO 96 -5.022 -15.854 10.950 685 HD3 PRO 96 1HD PRO 96 -3.623 -16.950 10.876 686 H GLU 97 H GLU 97 -5.552 -14.305 8.790 687 HA GLU 97 HA GLU 97 -6.783 -13.732 6.157 688 HB2 GLU 97 2HB GLU 97 -8.759 -12.954 7.693 689 HB3 GLU 97 1HB GLU 97 -8.567 -14.666 7.314 690 HG2 GLU 97 2HG GLU 97 -7.600 -15.143 9.423 691 HG3 GLU 97 1HG GLU 97 -7.280 -13.440 9.753 692 H VAL 98 H VAL 98 -4.910 -12.550 8.674 693 HA VAL 98 HA VAL 98 -5.417 -9.777 7.799 694 HB VAL 98 HB VAL 98 -5.219 -10.818 10.621 695 HG11 VAL 98 1HG1 VAL 98 -3.690 -9.025 10.695 696 HG12 VAL 98 2HG1 VAL 98 -5.218 -8.277 11.157 697 HG13 VAL 98 3HG1 VAL 98 -4.601 -8.082 9.517 698 HG21 VAL 98 1HG2 VAL 98 -7.408 -10.395 9.184 699 HG22 VAL 98 2HG2 VAL 98 -7.098 -8.711 9.609 700 HG23 VAL 98 3HG2 VAL 98 -7.345 -9.909 10.879 701 H LYS 99 H LYS 99 -3.635 -8.569 7.446 702 HA LYS 99 HA LYS 99 -1.012 -9.701 8.222 703 HB2 LYS 99 2HB LYS 99 -1.674 -8.345 5.597 704 HB3 LYS 99 1HB LYS 99 -0.102 -8.986 6.075 705 HG2 LYS 99 2HG LYS 99 -1.174 -11.248 6.320 706 HG3 LYS 99 1HG LYS 99 -2.651 -10.564 5.640 707 HD2 LYS 99 2HD LYS 99 -1.041 -9.754 3.718 708 HD3 LYS 99 1HD LYS 99 -0.007 -11.054 4.310 709 HE2 LYS 99 2HE LYS 99 -2.817 -11.264 3.221 710 HE3 LYS 99 1HE LYS 99 -1.358 -12.057 2.627 711 HZ1 LYS 99 1HZ LYS 99 -1.452 -12.893 5.175 712 HZ2 LYS 99 2HZ LYS 99 -2.077 -13.763 3.856 713 HZ3 LYS 99 3HZ LYS 99 -3.104 -12.798 4.804 714 H LEU 100 H LEU 100 0.676 -8.154 8.527 715 HA LEU 100 HA LEU 100 -0.335 -5.448 9.172 716 HB2 LEU 100 2HB LEU 100 1.055 -7.313 10.756 717 HB3 LEU 100 1HB LEU 100 2.227 -6.058 10.354 718 HG LEU 100 HG LEU 100 0.525 -4.342 11.054 719 HD11 LEU 100 1HD1 LEU 100 -1.168 -6.611 11.035 720 HD12 LEU 100 2HD1 LEU 100 -1.590 -4.966 11.511 721 HD13 LEU 100 3HD1 LEU 100 -1.024 -6.117 12.722 722 HD21 LEU 100 1HD2 LEU 100 2.083 -4.648 12.739 723 HD22 LEU 100 2HD2 LEU 100 1.748 -6.373 12.879 724 HD23 LEU 100 3HD2 LEU 100 0.636 -5.197 13.583 725 H VAL 101 H VAL 101 0.734 -3.662 8.424 726 HA VAL 101 HA VAL 101 3.181 -4.066 6.839 727 HB VAL 101 HB VAL 101 1.303 -4.095 5.253 728 HG11 VAL 101 1HG1 VAL 101 0.155 -2.281 7.009 729 HG12 VAL 101 2HG1 VAL 101 -0.457 -2.680 5.404 730 HG13 VAL 101 3HG1 VAL 101 0.590 -1.278 5.625 731 HG21 VAL 101 1HG2 VAL 101 2.181 -2.456 3.758 732 HG22 VAL 101 2HG2 VAL 101 3.537 -2.922 4.784 733 HG23 VAL 101 3HG2 VAL 101 2.683 -1.408 5.084 734 H VAL 102 H VAL 102 4.664 -2.494 7.100 735 HA VAL 102 HA VAL 102 3.890 0.123 8.107 736 HB VAL 102 HB VAL 102 5.935 -1.614 9.515 737 HG11 VAL 102 1HG1 VAL 102 5.141 0.662 11.018 738 HG12 VAL 102 2HG1 VAL 102 5.521 1.228 9.391 739 HG13 VAL 102 3HG1 VAL 102 6.726 0.334 10.318 740 HG21 VAL 102 1HG2 VAL 102 3.110 -0.784 10.209 741 HG22 VAL 102 2HG2 VAL 102 4.259 -1.324 11.432 742 HG23 VAL 102 3HG2 VAL 102 3.772 -2.416 10.136 743 H GLU 103 H GLU 103 4.740 1.355 6.586 744 HA GLU 103 HA GLU 103 7.588 1.035 5.929 745 HB2 GLU 103 2HB GLU 103 7.266 1.036 3.611 746 HB3 GLU 103 1HB GLU 103 5.991 -0.036 4.189 747 HG2 GLU 103 2HG GLU 103 4.545 2.129 4.301 748 HG3 GLU 103 1HG GLU 103 5.766 2.808 3.227 749 H TYR 104 H TYR 104 8.613 2.923 5.148 750 HA TYR 104 HA TYR 104 7.231 5.397 5.960 751 HB2 TYR 104 2HB TYR 104 9.782 6.180 5.632 752 HB3 TYR 104 1HB TYR 104 9.190 5.479 7.137 753 HD1 TYR 104 1HD TYR 104 9.966 3.363 7.906 754 HD2 TYR 104 2HD TYR 104 10.894 4.680 3.924 755 HE1 TYR 104 1HE TYR 104 11.548 1.471 7.649 756 HE2 TYR 104 2HE TYR 104 12.476 2.788 3.669 757 HH TYR 104 HH TYR 104 12.482 0.146 5.426 758 H GLY 105 H GLY 105 6.793 6.974 4.525 759 HA2 GLY 105 2HA GLY 105 7.544 6.496 1.715 760 HA3 GLY 105 1HA GLY 105 6.194 7.483 2.261 761 H TRP 106 H TRP 106 8.853 7.858 0.636 762 HA TRP 106 HA TRP 106 9.237 10.600 1.465 763 HB2 TRP 106 2HB TRP 106 11.277 10.481 2.445 764 HB3 TRP 106 1HB TRP 106 10.825 8.809 2.773 765 HD1 TRP 106 HD TRP 106 13.022 10.944 0.525 766 HE1 TRP 106 1HE TRP 106 14.658 9.415 -0.751 767 HE3 TRP 106 3HE TRP 106 11.140 6.373 1.808 768 HZ2 TRP 106 2HZ TRP 106 15.108 6.621 -1.173 769 HZ3 TRP 106 3HZ TRP 106 12.190 4.297 0.956 770 HH2 TRP 106 HH TRP 106 14.171 4.415 -0.530 771 H ASN 107 H ASN 107 10.931 11.668 0.046 772 HA ASN 107 HA ASN 107 11.369 10.319 -2.514 773 HB2 ASN 107 2HB ASN 107 9.238 11.342 -2.921 774 HB3 ASN 107 1HB ASN 107 9.763 12.858 -2.192 775 HD21 ASN 107 1HD2 ASN 107 9.516 14.141 -4.123 776 HD22 ASN 107 2HD2 ASN 107 10.497 13.914 -5.490 777 H ASN 108 H ASN 108 13.295 10.841 -3.358 778 HA ASN 108 HA ASN 108 15.413 11.745 -3.455 779 HB2 ASN 108 2HB ASN 108 14.399 13.445 -4.757 780 HB3 ASN 108 1HB ASN 108 13.629 14.174 -3.350 781 HD21 ASN 108 1HD2 ASN 108 14.695 16.000 -2.590 782 HD22 ASN 108 2HD2 ASN 108 16.352 16.310 -2.782 783 H SER 109 H SER 109 14.325 14.450 -1.531 784 HA SER 109 HA SER 109 15.564 13.371 0.892 785 HB2 SER 109 2HB SER 109 16.543 15.825 -0.568 786 HB3 SER 109 1HB SER 109 16.898 15.514 1.128 787 HG SER 109 HG SER 109 18.272 14.657 -0.846 788 H SER 110 H SER 110 12.874 13.822 0.450 789 HA SER 110 HA SER 110 12.278 16.389 1.761 790 HB2 SER 110 2HB SER 110 10.894 14.692 -0.156 791 HB3 SER 110 1HB SER 110 9.867 15.116 1.210 792 HG SER 110 HG SER 110 11.262 16.823 -0.569 793 H LEU 111 H LEU 111 10.439 16.282 3.382 794 HA LEU 111 HA LEU 111 11.163 14.922 5.659 795 HB2 LEU 111 2HB LEU 111 8.311 15.599 4.901 796 HB3 LEU 111 1HB LEU 111 8.957 15.410 6.531 797 HG LEU 111 HG LEU 111 9.817 17.524 4.532 798 HD11 LEU 111 1HD1 LEU 111 7.503 17.694 5.670 799 HD12 LEU 111 2HD1 LEU 111 8.584 19.079 5.822 800 HD13 LEU 111 3HD1 LEU 111 8.404 17.951 7.164 801 HD21 LEU 111 1HD2 LEU 111 10.846 18.403 6.801 802 HD22 LEU 111 2HD2 LEU 111 11.714 17.197 5.851 803 HD23 LEU 111 3HD2 LEU 111 10.774 16.701 7.257 804 H GLN 112 H GLN 112 10.356 13.067 6.741 805 HA GLN 112 HA GLN 112 9.408 10.960 4.897 806 HB2 GLN 112 2HB GLN 112 10.877 10.681 7.530 807 HB3 GLN 112 1HB GLN 112 10.428 9.365 6.443 808 HG2 GLN 112 2HG GLN 112 12.458 9.671 5.494 809 HG3 GLN 112 1HG GLN 112 11.760 11.116 4.767 810 HE21 GLN 112 1HE2 GLN 112 14.486 10.234 6.302 811 HE22 GLN 112 2HE2 GLN 112 14.819 11.644 7.187 812 H PHE 113 H PHE 113 7.553 9.895 5.306 813 HA PHE 113 HA PHE 113 6.096 10.583 7.791 814 HB2 PHE 113 2HB PHE 113 4.252 9.675 5.873 815 HB3 PHE 113 1HB PHE 113 4.460 11.327 6.452 816 HD1 PHE 113 1HD PHE 113 4.992 9.019 3.697 817 HD2 PHE 113 2HD PHE 113 6.065 12.866 5.276 818 HE1 PHE 113 1HE PHE 113 5.845 9.696 1.469 819 HE2 PHE 113 2HE PHE 113 6.918 13.542 3.048 820 HZ PHE 113 HZ PHE 113 6.808 11.958 1.144 821 H LEU 114 H LEU 114 4.914 8.954 8.813 822 HA LEU 114 HA LEU 114 5.719 6.209 8.071 823 HB2 LEU 114 2HB LEU 114 5.274 7.605 10.661 824 HB3 LEU 114 1HB LEU 114 4.797 5.913 10.578 825 HG LEU 114 HG LEU 114 7.170 6.275 11.347 826 HD11 LEU 114 1HD1 LEU 114 7.758 4.868 8.895 827 HD12 LEU 114 2HD1 LEU 114 6.165 4.401 9.483 828 HD13 LEU 114 3HD1 LEU 114 7.576 4.222 10.524 829 HD21 LEU 114 1HD2 LEU 114 7.912 6.884 8.511 830 HD22 LEU 114 2HD2 LEU 114 8.764 7.280 10.003 831 HD23 LEU 114 3HD2 LEU 114 7.342 8.208 9.527 832 H GLN 115 H GLN 115 4.194 4.677 7.674 833 HA GLN 115 HA GLN 115 1.375 5.351 8.204 834 HB2 GLN 115 2HB GLN 115 0.674 4.896 6.016 835 HB3 GLN 115 1HB GLN 115 2.149 5.831 5.778 836 HG2 GLN 115 2HG GLN 115 3.351 3.535 5.750 837 HG3 GLN 115 1HG GLN 115 1.745 2.857 5.493 838 HE21 GLN 115 1HE2 GLN 115 1.097 2.738 3.341 839 HE22 GLN 115 2HE2 GLN 115 1.755 3.660 2.077 840 H ALA 116 H ALA 116 0.175 3.695 8.919 841 HA ALA 116 HA ALA 116 1.287 0.963 8.733 842 HB1 ALA 116 1HB ALA 116 1.265 2.420 11.062 843 HB2 ALA 116 2HB ALA 116 1.262 0.658 10.973 844 HB3 ALA 116 3HB ALA 116 -0.257 1.534 11.165 845 H GLY 117 H GLY 117 -0.327 -0.731 8.942 846 HA2 GLY 117 2HA GLY 117 -3.082 -0.366 9.120 847 HA3 GLY 117 1HA GLY 117 -2.661 -0.198 7.418 848 H LEU 118 H LEU 118 -4.041 -2.130 7.186 849 HA LEU 118 HA LEU 118 -2.395 -4.532 7.277 850 HB2 LEU 118 2HB LEU 118 -4.567 -5.728 8.216 851 HB3 LEU 118 1HB LEU 118 -3.366 -5.038 9.305 852 HG LEU 118 HG LEU 118 -4.684 -2.982 9.506 853 HD11 LEU 118 1HD1 LEU 118 -5.740 -2.712 7.413 854 HD12 LEU 118 2HD1 LEU 118 -7.072 -3.135 8.488 855 HD13 LEU 118 3HD1 LEU 118 -6.378 -4.355 7.421 856 HD21 LEU 118 1HD2 LEU 118 -5.179 -5.035 10.928 857 HD22 LEU 118 2HD2 LEU 118 -6.535 -5.355 9.846 858 HD23 LEU 118 3HD2 LEU 118 -6.498 -3.872 10.800 859 H SER 119 H SER 119 -3.559 -6.389 6.187 860 HA SER 119 HA SER 119 -5.362 -5.394 4.062 861 HB2 SER 119 2HB SER 119 -2.995 -5.775 3.281 862 HB3 SER 119 1HB SER 119 -3.203 -7.477 3.687 863 HG SER 119 HG SER 119 -4.491 -7.719 2.018 864 H TYR 120 H TYR 120 -6.770 -6.993 3.137 865 HA TYR 120 HA TYR 120 -7.121 -9.440 4.746 866 HB2 TYR 120 2HB TYR 120 -8.686 -7.380 5.313 867 HB3 TYR 120 1HB TYR 120 -9.547 -7.926 3.875 868 HD1 TYR 120 1HD TYR 120 -8.774 -8.616 7.359 869 HD2 TYR 120 2HD TYR 120 -10.407 -10.282 3.753 870 HE1 TYR 120 1HE TYR 120 -9.829 -10.432 8.677 871 HE2 TYR 120 2HE TYR 120 -11.462 -12.098 5.071 872 HH TYR 120 HH TYR 120 -11.285 -12.137 8.617 873 H ARG 121 H ARG 121 -7.461 -11.203 3.534 874 HA ARG 121 HA ARG 121 -7.610 -10.915 0.648 875 HB2 ARG 121 2HB ARG 121 -7.392 -13.323 2.464 876 HB3 ARG 121 1HB ARG 121 -7.464 -13.429 0.705 877 HG2 ARG 121 2HG ARG 121 -5.475 -11.890 0.602 878 HG3 ARG 121 1HG ARG 121 -5.357 -12.010 2.357 879 HD2 ARG 121 2HD ARG 121 -4.966 -14.381 2.246 880 HD3 ARG 121 1HD ARG 121 -5.343 -14.419 0.526 881 HE ARG 121 HE ARG 121 -3.212 -12.642 0.855 882 HH11 ARG 121 1HH1 ARG 121 -1.081 -13.344 0.502 883 HH12 ARG 121 2HH1 ARG 121 -0.702 -15.030 0.601 884 HH21 ARG 121 1HH2 ARG 121 -3.948 -15.987 1.354 885 HH22 ARG 121 2HH2 ARG 121 -2.325 -16.526 1.084 886 H ILE 122 H ILE 122 -9.355 -11.260 -0.608 887 HA ILE 122 HA ILE 122 -11.604 -12.826 0.139 888 HB ILE 122 HB ILE 122 -12.100 -11.002 1.662 889 HG12 ILE 122 2HG1 ILE 122 -13.963 -10.293 -0.531 890 HG13 ILE 122 1HG1 ILE 122 -13.823 -12.018 -0.193 891 HG21 ILE 122 1HG2 ILE 122 -12.604 -8.888 -0.224 892 HG22 ILE 122 2HG2 ILE 122 -10.936 -9.431 -0.398 893 HG23 ILE 122 3HG2 ILE 122 -11.525 -8.882 1.170 894 HD11 ILE 122 1HD1 ILE 122 -14.420 -11.694 2.117 895 HD12 ILE 122 2HD1 ILE 122 -15.607 -10.820 1.150 896 HD13 ILE 122 3HD1 ILE 122 -14.308 -9.942 1.957 897 H GLN 123 H GLN 123 -10.945 -13.539 -1.996 898 HA GLN 123 HA GLN 123 -11.806 -11.736 -4.171 899 HB2 GLN 123 2HB GLN 123 -10.529 -13.718 -5.480 900 HB3 GLN 123 1HB GLN 123 -9.697 -12.293 -4.857 901 HG2 GLN 123 2HG GLN 123 -10.084 -14.691 -3.086 902 HG3 GLN 123 1HG GLN 123 -8.779 -14.677 -4.270 903 HE21 GLN 123 1HE2 GLN 123 -7.091 -14.507 -2.646 904 HE22 GLN 123 2HE2 GLN 123 -6.869 -13.091 -1.739 905 HA PRO 124 HA PRO 124 -15.213 -14.419 -5.007 906 HB2 PRO 124 2HB PRO 124 -15.388 -14.284 -7.741 907 HB3 PRO 124 1HB PRO 124 -15.904 -12.978 -6.660 908 HG2 PRO 124 2HG PRO 124 -13.398 -13.250 -8.237 909 HG3 PRO 124 1HG PRO 124 -14.382 -11.811 -7.915 910 HD2 PRO 124 2HD PRO 124 -12.055 -12.345 -6.582 911 HD3 PRO 124 1HD PRO 124 -13.395 -11.428 -5.860 Start of MODEL 4 1 H1 MET 1 1HT MET 1 -1.844 -24.800 -2.807 2 H2 MET 1 2HT MET 1 -3.503 -24.440 -2.852 3 H3 MET 1 3HT MET 1 -2.454 -23.505 -1.896 4 HA MET 1 HA MET 1 -1.953 -22.168 -3.572 5 HB2 MET 1 2HB MET 1 -1.305 -24.808 -4.790 6 HB3 MET 1 1HB MET 1 -1.495 -23.445 -5.893 7 HG2 MET 1 2HG MET 1 0.189 -23.142 -3.421 8 HG3 MET 1 1HG MET 1 0.862 -23.924 -4.851 9 HE1 MET 1 1HE MET 1 2.090 -21.627 -3.552 10 HE2 MET 1 2HE MET 1 2.321 -20.293 -4.681 11 HE3 MET 1 3HE MET 1 2.771 -21.928 -5.158 12 H GLN 2 H GLN 2 -3.924 -21.165 -3.733 13 HA GLN 2 HA GLN 2 -5.642 -22.056 -5.951 14 HB2 GLN 2 2HB GLN 2 -6.447 -22.674 -3.504 15 HB3 GLN 2 1HB GLN 2 -6.959 -20.986 -3.493 16 HG2 GLN 2 2HG GLN 2 -8.825 -22.214 -4.327 17 HG3 GLN 2 1HG GLN 2 -8.085 -21.455 -5.735 18 HE21 GLN 2 1HE2 GLN 2 -8.924 -23.167 -7.156 19 HE22 GLN 2 2HE2 GLN 2 -8.235 -24.719 -7.144 20 H ASP 3 H ASP 3 -4.658 -19.510 -3.717 21 HA ASP 3 HA ASP 3 -6.086 -17.394 -4.972 22 HB2 ASP 3 2HB ASP 3 -4.419 -15.941 -3.750 23 HB3 ASP 3 1HB ASP 3 -5.311 -17.069 -2.730 24 H GLY 4 H GLY 4 -5.465 -18.255 -7.212 25 HA2 GLY 4 2HA GLY 4 -2.801 -17.597 -8.139 26 HA3 GLY 4 1HA GLY 4 -4.136 -18.189 -9.122 27 HA PRO 5 HA PRO 5 -3.141 -13.628 -10.005 28 HB2 PRO 5 2HB PRO 5 -3.860 -14.731 -12.685 29 HB3 PRO 5 1HB PRO 5 -2.571 -13.596 -12.240 30 HG2 PRO 5 2HG PRO 5 -2.067 -16.159 -12.804 31 HG3 PRO 5 1HG PRO 5 -1.143 -15.260 -11.589 32 HD2 PRO 5 2HD PRO 5 -3.184 -17.389 -11.198 33 HD3 PRO 5 1HD PRO 5 -1.822 -16.923 -10.157 34 H GLY 6 H GLY 6 -4.665 -12.010 -10.573 35 HA2 GLY 6 2HA GLY 6 -6.757 -11.139 -11.154 36 HA3 GLY 6 1HA GLY 6 -7.361 -12.781 -11.355 37 H THR 7 H THR 7 -5.642 -12.320 -8.459 38 HA THR 7 HA THR 7 -8.031 -12.702 -6.886 39 HB THR 7 HB THR 7 -5.642 -12.016 -5.373 40 HG1 THR 7 1HG THR 7 -4.921 -14.296 -6.322 41 HG21 THR 7 1HG2 THR 7 -7.579 -13.286 -4.517 42 HG22 THR 7 2HG2 THR 7 -6.095 -14.229 -4.396 43 HG23 THR 7 3HG2 THR 7 -7.250 -14.565 -5.684 44 H LEU 8 H LEU 8 -8.794 -11.313 -5.239 45 HA LEU 8 HA LEU 8 -8.022 -8.472 -5.563 46 HB2 LEU 8 2HB LEU 8 -10.787 -9.410 -4.810 47 HB3 LEU 8 1HB LEU 8 -10.286 -7.813 -5.368 48 HG LEU 8 HG LEU 8 -9.448 -9.417 -7.436 49 HD11 LEU 8 1HD1 LEU 8 -10.584 -11.368 -6.406 50 HD12 LEU 8 2HD1 LEU 8 -11.309 -10.931 -7.953 51 HD13 LEU 8 3HD1 LEU 8 -12.110 -10.484 -6.447 52 HD21 LEU 8 1HD2 LEU 8 -12.102 -8.006 -7.027 53 HD22 LEU 8 2HD2 LEU 8 -11.513 -8.562 -8.593 54 HD23 LEU 8 3HD2 LEU 8 -10.632 -7.313 -7.711 55 H ASP 9 H ASP 9 -7.526 -7.388 -3.748 56 HA ASP 9 HA ASP 9 -8.341 -8.495 -1.149 57 HB2 ASP 9 2HB ASP 9 -5.498 -7.672 -1.780 58 HB3 ASP 9 1HB ASP 9 -6.099 -8.318 -0.254 59 H VAL 10 H VAL 10 -8.570 -6.980 0.479 60 HA VAL 10 HA VAL 10 -8.332 -4.150 -0.364 61 HB VAL 10 HB VAL 10 -10.186 -3.701 1.211 62 HG11 VAL 10 1HG1 VAL 10 -10.305 -5.051 -1.288 63 HG12 VAL 10 2HG1 VAL 10 -11.532 -4.010 -0.565 64 HG13 VAL 10 3HG1 VAL 10 -11.562 -5.748 -0.265 65 HG21 VAL 10 1HG2 VAL 10 -10.071 -6.710 1.546 66 HG22 VAL 10 2HG2 VAL 10 -11.465 -5.742 2.022 67 HG23 VAL 10 3HG2 VAL 10 -9.906 -5.486 2.803 68 H PHE 11 H PHE 11 -7.471 -2.668 1.087 69 HA PHE 11 HA PHE 11 -6.653 -3.549 3.735 70 HB2 PHE 11 2HB PHE 11 -4.292 -3.165 3.408 71 HB3 PHE 11 1HB PHE 11 -4.834 -4.330 2.200 72 HD1 PHE 11 1HD PHE 11 -3.422 -1.037 2.769 73 HD2 PHE 11 2HD PHE 11 -5.329 -3.549 -0.146 74 HE1 PHE 11 1HE PHE 11 -2.635 0.465 0.960 75 HE2 PHE 11 2HE PHE 11 -4.542 -2.047 -1.955 76 HZ PHE 11 HZ PHE 11 -3.195 -0.040 -1.402 77 H VAL 12 H VAL 12 -6.049 -1.847 5.108 78 HA VAL 12 HA VAL 12 -6.784 0.834 4.099 79 HB VAL 12 HB VAL 12 -6.867 -0.284 6.912 80 HG11 VAL 12 1HG1 VAL 12 -8.194 1.947 7.201 81 HG12 VAL 12 2HG1 VAL 12 -7.332 2.454 5.747 82 HG13 VAL 12 3HG1 VAL 12 -6.432 2.006 7.197 83 HG21 VAL 12 1HG2 VAL 12 -8.689 -1.195 5.670 84 HG22 VAL 12 2HG2 VAL 12 -8.969 0.326 4.823 85 HG23 VAL 12 3HG2 VAL 12 -9.362 0.186 6.535 86 H ALA 13 H ALA 13 -5.622 2.661 5.123 87 HA ALA 13 HA ALA 13 -3.059 2.110 6.333 88 HB1 ALA 13 1HB ALA 13 -3.346 2.801 3.472 89 HB2 ALA 13 2HB ALA 13 -2.020 1.996 4.312 90 HB3 ALA 13 3HB ALA 13 -2.161 3.754 4.366 91 H ALA 14 H ALA 14 -3.142 3.479 7.946 92 HA ALA 14 HA ALA 14 -3.788 6.304 7.411 93 HB1 ALA 14 1HB ALA 14 -4.617 5.589 10.068 94 HB2 ALA 14 2HB ALA 14 -5.408 4.527 8.902 95 HB3 ALA 14 3HB ALA 14 -5.578 6.277 8.758 96 H GLY 15 H GLY 15 -2.341 7.689 8.248 97 HA2 GLY 15 2HA GLY 15 -0.774 6.980 10.600 98 HA3 GLY 15 1HA GLY 15 0.139 7.161 9.105 99 H TRP 16 H TRP 16 1.273 8.964 9.896 100 HA TRP 16 HA TRP 16 -0.140 11.477 9.565 101 HB2 TRP 16 2HB TRP 16 0.633 12.376 11.749 102 HB3 TRP 16 1HB TRP 16 -0.536 11.068 11.933 103 HD1 TRP 16 HD TRP 16 3.175 11.864 12.342 104 HE1 TRP 16 1HE TRP 16 4.267 10.021 13.775 105 HE3 TRP 16 3HE TRP 16 -0.720 8.576 12.671 106 HZ2 TRP 16 2HZ TRP 16 3.580 7.487 14.911 107 HZ3 TRP 16 3HZ TRP 16 -0.474 6.458 13.933 108 HH2 TRP 16 HH TRP 16 1.669 5.910 15.053 109 H ASN 17 H ASN 17 1.348 13.327 9.560 110 HA ASN 17 HA ASN 17 4.049 12.512 8.673 111 HB2 ASN 17 2HB ASN 17 2.468 14.997 7.973 112 HB3 ASN 17 1HB ASN 17 4.062 14.575 7.350 113 HD21 ASN 17 1HD2 ASN 17 3.188 14.468 5.133 114 HD22 ASN 17 2HD2 ASN 17 2.232 13.152 4.647 115 H THR 18 H THR 18 5.842 13.805 9.285 116 HA THR 18 HA THR 18 6.067 14.504 11.927 117 HB THR 18 HB THR 18 7.547 15.969 9.740 118 HG1 THR 18 1HG THR 18 8.679 13.700 10.739 119 HG21 THR 18 1HG2 THR 18 7.827 16.573 12.200 120 HG22 THR 18 2HG2 THR 18 9.304 16.113 11.354 121 HG23 THR 18 3HG2 THR 18 8.506 14.961 12.425 122 H ASP 19 H ASP 19 4.752 16.401 9.304 123 HA ASP 19 HA ASP 19 4.785 18.936 10.572 124 HB2 ASP 19 2HB ASP 19 4.151 18.075 8.081 125 HB3 ASP 19 1HB ASP 19 2.540 18.341 8.743 126 H ASN 20 H ASN 20 3.356 16.218 11.636 127 HA ASN 20 HA ASN 20 1.803 15.842 13.297 128 HB2 ASN 20 2HB ASN 20 2.624 18.295 13.910 129 HB3 ASN 20 1HB ASN 20 0.991 18.712 13.395 130 HD21 ASN 20 1HD2 ASN 20 -0.828 17.576 14.546 131 HD22 ASN 20 2HD2 ASN 20 -0.579 17.022 16.131 132 H THR 21 H THR 21 1.206 15.950 10.405 133 HA THR 21 HA THR 21 -1.633 16.738 10.424 134 HB THR 21 HB THR 21 -0.994 15.875 7.859 135 HG1 THR 21 1HG THR 21 1.023 16.326 7.516 136 HG21 THR 21 1HG2 THR 21 -0.977 18.629 9.118 137 HG22 THR 21 2HG2 THR 21 -2.343 17.820 8.351 138 HG23 THR 21 3HG2 THR 21 -0.969 18.344 7.378 139 H ILE 22 H ILE 22 -3.246 15.287 9.701 140 HA ILE 22 HA ILE 22 -2.549 12.459 10.157 141 HB ILE 22 HB ILE 22 -5.102 14.034 10.420 142 HG12 ILE 22 2HG1 ILE 22 -3.874 12.023 12.311 143 HG13 ILE 22 1HG1 ILE 22 -3.332 13.701 12.282 144 HG21 ILE 22 1HG2 ILE 22 -4.718 11.070 10.030 145 HG22 ILE 22 2HG2 ILE 22 -5.921 12.133 9.299 146 HG23 ILE 22 3HG2 ILE 22 -6.059 11.681 10.997 147 HD11 ILE 22 1HD1 ILE 22 -6.200 12.805 12.698 148 HD12 ILE 22 2HD1 ILE 22 -5.621 14.471 12.723 149 HD13 ILE 22 3HD1 ILE 22 -5.110 13.341 13.977 150 H GLU 23 H GLU 23 -2.350 11.199 8.433 151 HA GLU 23 HA GLU 23 -3.746 11.959 5.939 152 HB2 GLU 23 2HB GLU 23 -1.055 11.070 6.507 153 HB3 GLU 23 1HB GLU 23 -1.844 9.970 5.375 154 HG2 GLU 23 2HG GLU 23 -0.729 11.809 4.171 155 HG3 GLU 23 1HG GLU 23 -2.476 11.885 3.953 156 H ILE 24 H ILE 24 -4.915 10.428 4.795 157 HA ILE 24 HA ILE 24 -5.301 7.801 6.080 158 HB ILE 24 HB ILE 24 -7.445 9.751 5.226 159 HG12 ILE 24 2HG1 ILE 24 -7.129 8.222 7.817 160 HG13 ILE 24 1HG1 ILE 24 -6.393 9.805 7.568 161 HG21 ILE 24 1HG2 ILE 24 -7.452 6.780 5.452 162 HG22 ILE 24 2HG2 ILE 24 -8.435 7.833 4.435 163 HG23 ILE 24 3HG2 ILE 24 -8.834 7.634 6.140 164 HD11 ILE 24 1HD1 ILE 24 -9.348 9.151 7.376 165 HD12 ILE 24 2HD1 ILE 24 -8.641 10.724 7.006 166 HD13 ILE 24 3HD1 ILE 24 -8.565 10.087 8.649 167 H THR 25 H THR 25 -5.422 6.122 4.690 168 HA THR 25 HA THR 25 -5.943 6.633 1.849 169 HB THR 25 HB THR 25 -3.497 5.135 2.813 170 HG1 THR 25 1HG THR 25 -2.376 6.909 2.236 171 HG21 THR 25 1HG2 THR 25 -4.397 4.276 0.711 172 HG22 THR 25 2HG2 THR 25 -2.917 5.181 0.394 173 HG23 THR 25 3HG2 THR 25 -4.486 5.911 0.056 174 H GLY 26 H GLY 26 -7.027 5.004 0.868 175 HA2 GLY 26 2HA GLY 26 -7.026 2.313 1.966 176 HA3 GLY 26 1HA GLY 26 -8.559 3.172 2.103 177 H GLY 27 H GLY 27 -7.673 0.784 0.477 178 HA2 GLY 27 2HA GLY 27 -9.243 1.236 -1.808 179 HA3 GLY 27 1HA GLY 27 -7.554 1.447 -2.261 180 H ALA 28 H ALA 28 -7.525 -0.382 -3.590 181 HA ALA 28 HA ALA 28 -7.306 -2.919 -2.127 182 HB1 ALA 28 1HB ALA 28 -8.742 -2.883 -4.763 183 HB2 ALA 28 2HB ALA 28 -9.627 -2.562 -3.271 184 HB3 ALA 28 3HB ALA 28 -8.789 -4.099 -3.485 185 H THR 29 H THR 29 -6.400 -4.653 -3.645 186 HA THR 29 HA THR 29 -4.615 -3.510 -5.685 187 HB THR 29 HB THR 29 -3.283 -3.600 -3.639 188 HG1 THR 29 1HG THR 29 -1.677 -4.455 -4.693 189 HG21 THR 29 1HG2 THR 29 -4.717 -5.382 -2.564 190 HG22 THR 29 2HG2 THR 29 -2.980 -5.638 -2.393 191 HG23 THR 29 3HG2 THR 29 -3.895 -6.565 -3.583 192 H TYR 30 H TYR 30 -4.015 -4.944 -7.314 193 HA TYR 30 HA TYR 30 -5.631 -7.409 -7.422 194 HB2 TYR 30 2HB TYR 30 -4.279 -5.901 -9.673 195 HB3 TYR 30 1HB TYR 30 -5.369 -7.277 -9.841 196 HD1 TYR 30 1HD TYR 30 -5.165 -3.772 -8.579 197 HD2 TYR 30 2HD TYR 30 -7.719 -6.982 -9.856 198 HE1 TYR 30 1HE TYR 30 -7.113 -2.238 -8.538 199 HE2 TYR 30 2HE TYR 30 -9.668 -5.448 -9.815 200 HH TYR 30 HH TYR 30 -9.711 -2.576 -8.251 201 H GLN 31 H GLN 31 -4.610 -9.263 -7.063 202 HA GLN 31 HA GLN 31 -1.702 -9.384 -7.164 203 HB2 GLN 31 2HB GLN 31 -3.099 -10.413 -5.313 204 HB3 GLN 31 1HB GLN 31 -3.617 -11.620 -6.490 205 HG2 GLN 31 2HG GLN 31 -0.889 -11.609 -6.847 206 HG3 GLN 31 1HG GLN 31 -1.032 -11.335 -5.112 207 HE21 GLN 31 1HE2 GLN 31 -2.975 -12.881 -4.174 208 HE22 GLN 31 2HE2 GLN 31 -2.820 -14.505 -4.642 209 H LEU 32 H LEU 32 -0.827 -9.659 -9.121 210 HA LEU 32 HA LEU 32 -2.168 -11.426 -11.057 211 HB2 LEU 32 2HB LEU 32 -0.361 -9.088 -11.255 212 HB3 LEU 32 1HB LEU 32 -0.103 -10.366 -12.445 213 HG LEU 32 HG LEU 32 -2.467 -10.282 -13.086 214 HD11 LEU 32 1HD1 LEU 32 -3.753 -9.678 -11.271 215 HD12 LEU 32 2HD1 LEU 32 -3.640 -8.104 -12.059 216 HD13 LEU 32 3HD1 LEU 32 -2.580 -8.490 -10.702 217 HD21 LEU 32 1HD2 LEU 32 -1.361 -7.462 -12.983 218 HD22 LEU 32 2HD2 LEU 32 -2.439 -8.145 -14.200 219 HD23 LEU 32 3HD2 LEU 32 -0.766 -8.692 -14.098 220 H SER 33 H SER 33 0.842 -10.960 -9.287 221 HA SER 33 HA SER 33 1.487 -13.747 -9.473 222 HB2 SER 33 2HB SER 33 2.520 -11.985 -11.504 223 HB3 SER 33 1HB SER 33 3.844 -12.608 -10.524 224 HG SER 33 HG SER 33 2.682 -14.711 -10.823 225 HA PRO 34 HA PRO 34 3.753 -12.732 -5.841 226 HB2 PRO 34 2HB PRO 34 5.874 -14.465 -5.932 227 HB3 PRO 34 1HB PRO 34 4.215 -14.968 -5.553 228 HG2 PRO 34 2HG PRO 34 5.728 -15.200 -8.103 229 HG3 PRO 34 1HG PRO 34 4.593 -16.334 -7.354 230 HD2 PRO 34 2HD PRO 34 3.904 -14.687 -9.436 231 HD3 PRO 34 1HD PRO 34 2.740 -15.267 -8.223 232 H TYR 35 H TYR 35 5.282 -12.422 -8.908 233 HA TYR 35 HA TYR 35 7.793 -11.371 -8.061 234 HB2 TYR 35 2HB TYR 35 6.250 -11.229 -10.649 235 HB3 TYR 35 1HB TYR 35 7.807 -10.427 -10.441 236 HD1 TYR 35 1HD TYR 35 9.865 -11.699 -10.197 237 HD2 TYR 35 2HD TYR 35 6.072 -13.682 -10.571 238 HE1 TYR 35 1HE TYR 35 11.030 -13.850 -10.609 239 HE2 TYR 35 2HE TYR 35 7.238 -15.832 -10.982 240 HH TYR 35 HH TYR 35 9.567 -16.803 -10.384 241 H ILE 36 H ILE 36 4.961 -9.721 -9.490 242 HA ILE 36 HA ILE 36 5.468 -7.426 -7.729 243 HB ILE 36 HB ILE 36 4.980 -5.978 -9.848 244 HG12 ILE 36 2HG1 ILE 36 6.439 -8.154 -11.287 245 HG13 ILE 36 1HG1 ILE 36 4.695 -8.336 -11.087 246 HG21 ILE 36 1HG2 ILE 36 7.599 -7.376 -9.251 247 HG22 ILE 36 2HG2 ILE 36 7.070 -5.794 -8.679 248 HG23 ILE 36 3HG2 ILE 36 7.467 -6.028 -10.382 249 HD11 ILE 36 1HD1 ILE 36 4.218 -6.402 -12.320 250 HD12 ILE 36 2HD1 ILE 36 5.598 -7.070 -13.191 251 HD13 ILE 36 3HD1 ILE 36 5.830 -5.729 -12.070 252 H MET 37 H MET 37 3.650 -6.242 -7.218 253 HA MET 37 HA MET 37 1.082 -7.314 -8.231 254 HB2 MET 37 2HB MET 37 1.530 -6.014 -5.541 255 HB3 MET 37 1HB MET 37 0.117 -6.920 -6.083 256 HG2 MET 37 2HG MET 37 2.236 -8.686 -6.483 257 HG3 MET 37 1HG MET 37 2.620 -7.903 -4.949 258 HE1 MET 37 1HE MET 37 0.599 -7.282 -3.314 259 HE2 MET 37 2HE MET 37 1.625 -8.592 -2.738 260 HE3 MET 37 3HE MET 37 -0.124 -8.712 -2.567 261 H VAL 38 H VAL 38 -0.735 -5.729 -8.078 262 HA VAL 38 HA VAL 38 0.206 -3.055 -8.915 263 HB VAL 38 HB VAL 38 -2.515 -4.254 -9.441 264 HG11 VAL 38 1HG1 VAL 38 -1.639 -1.693 -9.701 265 HG12 VAL 38 2HG1 VAL 38 -2.870 -2.408 -10.742 266 HG13 VAL 38 3HG1 VAL 38 -1.191 -2.340 -11.279 267 HG21 VAL 38 1HG2 VAL 38 0.094 -4.556 -10.925 268 HG22 VAL 38 2HG2 VAL 38 -1.444 -4.620 -11.785 269 HG23 VAL 38 3HG2 VAL 38 -1.091 -5.797 -10.520 270 H LYS 39 H LYS 39 -0.068 -1.470 -7.497 271 HA LYS 39 HA LYS 39 -2.165 -1.744 -5.434 272 HB2 LYS 39 2HB LYS 39 0.457 -0.255 -5.482 273 HB3 LYS 39 1HB LYS 39 -0.785 0.066 -4.274 274 HG2 LYS 39 2HG LYS 39 -0.764 -2.346 -3.653 275 HG3 LYS 39 1HG LYS 39 0.548 -2.606 -4.803 276 HD2 LYS 39 2HD LYS 39 2.023 -1.995 -3.221 277 HD3 LYS 39 1HD LYS 39 1.294 -0.387 -3.195 278 HE2 LYS 39 2HE LYS 39 0.294 -2.765 -1.600 279 HE3 LYS 39 1HE LYS 39 1.283 -1.458 -0.948 280 HZ1 LYS 39 1HZ LYS 39 -0.597 -0.003 -2.001 281 HZ2 LYS 39 2HZ LYS 39 -0.792 -0.695 -0.462 282 HZ3 LYS 39 3HZ LYS 39 -1.515 -1.419 -1.818 283 H ALA 40 H ALA 40 -3.831 -0.370 -5.420 284 HA ALA 40 HA ALA 40 -3.586 2.262 -6.671 285 HB1 ALA 40 1HB ALA 40 -4.519 0.282 -8.248 286 HB2 ALA 40 2HB ALA 40 -5.082 1.949 -8.364 287 HB3 ALA 40 3HB ALA 40 -6.020 0.763 -7.457 288 H GLY 41 H GLY 41 -4.602 3.743 -5.469 289 HA2 GLY 41 2HA GLY 41 -7.084 3.209 -4.112 290 HA3 GLY 41 1HA GLY 41 -5.719 3.333 -3.008 291 H TYR 42 H TYR 42 -7.097 5.187 -2.238 292 HA TYR 42 HA TYR 42 -6.242 7.640 -3.625 293 HB2 TYR 42 2HB TYR 42 -8.832 8.000 -2.392 294 HB3 TYR 42 1HB TYR 42 -8.335 8.318 -4.054 295 HD1 TYR 42 1HD TYR 42 -8.188 6.329 -5.674 296 HD2 TYR 42 2HD TYR 42 -10.189 6.137 -1.877 297 HE1 TYR 42 1HE TYR 42 -9.438 4.326 -6.434 298 HE2 TYR 42 2HE TYR 42 -11.439 4.135 -2.638 299 HH TYR 42 HH TYR 42 -11.766 3.244 -5.748 300 H GLY 43 H GLY 43 -5.559 9.239 -2.293 301 HA2 GLY 43 2HA GLY 43 -5.653 8.689 0.611 302 HA3 GLY 43 1HA GLY 43 -4.393 9.613 -0.201 303 H TRP 44 H TRP 44 -6.813 10.002 1.868 304 HA TRP 44 HA TRP 44 -7.738 12.576 0.747 305 HB2 TRP 44 2HB TRP 44 -8.953 10.594 2.637 306 HB3 TRP 44 1HB TRP 44 -9.422 12.291 2.744 307 HD1 TRP 44 HD TRP 44 -9.873 13.334 0.047 308 HE1 TRP 44 1HE TRP 44 -11.473 12.285 -1.682 309 HE3 TRP 44 3HE TRP 44 -10.176 8.581 1.893 310 HZ2 TRP 44 2HZ TRP 44 -12.717 9.764 -2.212 311 HZ3 TRP 44 3HZ TRP 44 -11.573 6.879 0.758 312 HH2 TRP 44 HH TRP 44 -12.843 7.464 -1.289 313 H ASN 45 H ASN 45 -7.518 14.458 1.916 314 HA ASN 45 HA ASN 45 -5.621 14.323 4.164 315 HB2 ASN 45 2HB ASN 45 -4.940 15.746 2.302 316 HB3 ASN 45 1HB ASN 45 -6.453 16.642 2.406 317 HD21 ASN 45 1HD2 ASN 45 -4.066 15.561 4.897 318 HD22 ASN 45 2HD2 ASN 45 -3.883 17.101 5.588 319 H ASN 46 H ASN 46 -7.289 17.247 3.929 320 HA ASN 46 HA ASN 46 -9.305 16.477 5.927 321 HB2 ASN 46 2HB ASN 46 -6.999 17.483 6.832 322 HB3 ASN 46 1HB ASN 46 -7.805 18.997 6.429 323 HD21 ASN 46 1HD2 ASN 46 -8.488 15.907 8.167 324 HD22 ASN 46 2HD2 ASN 46 -9.449 16.630 9.365 325 H SER 47 H SER 47 -7.987 19.016 3.829 326 HA SER 47 HA SER 47 -10.148 20.791 3.895 327 HB2 SER 47 2HB SER 47 -9.297 21.643 1.771 328 HB3 SER 47 1HB SER 47 -7.957 21.298 2.861 329 HG SER 47 HG SER 47 -8.440 20.301 0.438 330 H SER 48 H SER 48 -9.791 19.787 0.684 331 HA SER 48 HA SER 48 -12.142 18.046 0.712 332 HB2 SER 48 2HB SER 48 -13.038 20.350 0.529 333 HB3 SER 48 1HB SER 48 -12.044 20.605 -0.903 334 HG SER 48 HG SER 48 -13.598 19.690 -1.964 335 H LEU 49 H LEU 49 -9.223 19.163 -0.653 336 HA LEU 49 HA LEU 49 -9.446 18.118 -3.278 337 HB2 LEU 49 2HB LEU 49 -6.897 18.335 -1.672 338 HB3 LEU 49 1HB LEU 49 -7.081 18.407 -3.424 339 HG LEU 49 HG LEU 49 -8.194 20.426 -1.452 340 HD11 LEU 49 1HD1 LEU 49 -6.457 21.700 -3.198 341 HD12 LEU 49 2HD1 LEU 49 -5.641 20.173 -2.868 342 HD13 LEU 49 3HD1 LEU 49 -6.085 21.242 -1.538 343 HD21 LEU 49 1HD2 LEU 49 -8.483 21.684 -3.728 344 HD22 LEU 49 2HD2 LEU 49 -9.673 20.462 -3.278 345 HD23 LEU 49 3HD2 LEU 49 -8.402 20.070 -4.436 346 H ASN 50 H ASN 50 -7.983 16.285 -4.042 347 HA ASN 50 HA ASN 50 -7.795 14.080 -2.117 348 HB2 ASN 50 2HB ASN 50 -8.792 12.835 -4.389 349 HB3 ASN 50 1HB ASN 50 -9.680 13.137 -2.897 350 HD21 ASN 50 1HD2 ASN 50 -9.887 13.611 -6.189 351 HD22 ASN 50 2HD2 ASN 50 -10.898 14.974 -6.205 352 H ARG 51 H ARG 51 -6.674 12.167 -3.135 353 HA ARG 51 HA ARG 51 -4.824 12.965 -5.286 354 HB2 ARG 51 2HB ARG 51 -3.995 11.644 -2.691 355 HB3 ARG 51 1HB ARG 51 -2.934 12.018 -4.050 356 HG2 ARG 51 2HG ARG 51 -3.619 14.444 -3.787 357 HG3 ARG 51 1HG ARG 51 -4.421 13.981 -2.286 358 HD2 ARG 51 2HD ARG 51 -1.492 13.474 -2.878 359 HD3 ARG 51 1HD ARG 51 -2.091 14.843 -1.945 360 HE ARG 51 HE ARG 51 -3.183 12.742 -0.640 361 HH11 ARG 51 1HH1 ARG 51 -2.144 11.556 0.996 362 HH12 ARG 51 2HH1 ARG 51 -0.415 11.468 1.028 363 HH21 ARG 51 1HH2 ARG 51 0.003 13.433 -1.798 364 HH22 ARG 51 2HH2 ARG 51 0.801 12.530 -0.554 365 H PHE 52 H PHE 52 -3.702 11.107 -6.260 366 HA PHE 52 HA PHE 52 -5.124 8.546 -5.902 367 HB2 PHE 52 2HB PHE 52 -5.120 10.280 -8.258 368 HB3 PHE 52 1HB PHE 52 -4.582 8.637 -8.612 369 HD1 PHE 52 1HD PHE 52 -6.110 6.816 -8.634 370 HD2 PHE 52 2HD PHE 52 -7.326 10.622 -7.058 371 HE1 PHE 52 1HE PHE 52 -8.457 6.022 -8.526 372 HE2 PHE 52 2HE PHE 52 -9.673 9.828 -6.949 373 HZ PHE 52 HZ PHE 52 -10.238 7.527 -7.684 374 H GLU 53 H GLU 53 -3.651 7.079 -5.360 375 HA GLU 53 HA GLU 53 -0.889 7.390 -6.331 376 HB2 GLU 53 2HB GLU 53 -0.248 5.901 -4.543 377 HB3 GLU 53 1HB GLU 53 -1.310 7.139 -3.871 378 HG2 GLU 53 2HG GLU 53 -3.224 5.455 -4.356 379 HG3 GLU 53 1HG GLU 53 -1.937 4.256 -4.478 380 H PHE 54 H PHE 54 -0.112 6.100 -7.871 381 HA PHE 54 HA PHE 54 -1.373 3.476 -8.317 382 HB2 PHE 54 2HB PHE 54 -2.418 4.527 -10.075 383 HB3 PHE 54 1HB PHE 54 -1.150 5.743 -10.241 384 HD1 PHE 54 1HD PHE 54 -2.087 2.236 -10.973 385 HD2 PHE 54 2HD PHE 54 0.801 5.352 -11.604 386 HE1 PHE 54 1HE PHE 54 -1.036 0.896 -12.776 387 HE2 PHE 54 2HE PHE 54 1.853 4.013 -13.407 388 HZ PHE 54 HZ PHE 54 0.934 1.784 -13.993 389 H GLY 55 H GLY 55 0.111 1.922 -8.373 390 HA2 GLY 55 2HA GLY 55 2.550 2.078 -9.809 391 HA3 GLY 55 1HA GLY 55 2.856 2.328 -8.092 392 H GLY 56 H GLY 56 3.977 0.397 -7.806 393 HA2 GLY 56 2HA GLY 56 2.269 -1.992 -7.686 394 HA3 GLY 56 1HA GLY 56 3.784 -2.094 -8.577 395 H GLY 57 H GLY 57 2.938 -3.533 -6.154 396 HA2 GLY 57 2HA GLY 57 4.793 -2.471 -4.129 397 HA3 GLY 57 1HA GLY 57 3.549 -3.686 -3.846 398 H LEU 58 H LEU 58 6.080 -4.165 -2.931 399 HA LEU 58 HA LEU 58 6.905 -6.405 -4.650 400 HB2 LEU 58 2HB LEU 58 8.430 -4.019 -4.197 401 HB3 LEU 58 1HB LEU 58 9.253 -5.384 -3.443 402 HG LEU 58 HG LEU 58 8.226 -5.378 -6.295 403 HD11 LEU 58 1HD1 LEU 58 10.565 -5.124 -6.956 404 HD12 LEU 58 2HD1 LEU 58 11.065 -5.088 -5.264 405 HD13 LEU 58 3HD1 LEU 58 10.098 -3.770 -5.927 406 HD21 LEU 58 1HD2 LEU 58 8.691 -7.583 -6.261 407 HD22 LEU 58 2HD2 LEU 58 9.013 -7.460 -4.532 408 HD23 LEU 58 3HD2 LEU 58 10.328 -7.257 -5.690 409 H GLN 59 H GLN 59 7.210 -8.234 -3.566 410 HA GLN 59 HA GLN 59 7.886 -8.199 -0.717 411 HB2 GLN 59 2HB GLN 59 6.018 -10.058 -0.523 412 HB3 GLN 59 1HB GLN 59 5.603 -8.352 -0.355 413 HG2 GLN 59 2HG GLN 59 4.620 -8.239 -2.453 414 HG3 GLN 59 1HG GLN 59 5.593 -9.561 -3.094 415 HE21 GLN 59 1HE2 GLN 59 3.278 -10.268 -3.818 416 HE22 GLN 59 2HE2 GLN 59 2.405 -11.225 -2.722 417 H TYR 60 H TYR 60 8.402 -10.451 0.069 418 HA TYR 60 HA TYR 60 9.170 -12.276 -2.108 419 HB2 TYR 60 2HB TYR 60 11.033 -10.598 -1.066 420 HB3 TYR 60 1HB TYR 60 11.186 -11.972 0.030 421 HD1 TYR 60 1HD TYR 60 12.143 -10.657 -3.130 422 HD2 TYR 60 2HD TYR 60 11.263 -14.342 -1.103 423 HE1 TYR 60 1HE TYR 60 13.401 -11.909 -4.861 424 HE2 TYR 60 2HE TYR 60 12.522 -15.594 -2.836 425 HH TYR 60 HH TYR 60 13.269 -14.445 -5.755 426 H LYS 61 H LYS 61 8.989 -14.395 -1.607 427 HA LYS 61 HA LYS 61 8.337 -15.091 1.198 428 HB2 LYS 61 2HB LYS 61 7.241 -16.425 -1.287 429 HB3 LYS 61 1HB LYS 61 6.766 -16.730 0.385 430 HG2 LYS 61 2HG LYS 61 5.935 -14.420 0.584 431 HG3 LYS 61 1HG LYS 61 6.424 -14.097 -1.081 432 HD2 LYS 61 2HD LYS 61 4.742 -15.425 -1.978 433 HD3 LYS 61 1HD LYS 61 4.623 -16.429 -0.534 434 HE2 LYS 61 2HE LYS 61 3.444 -14.740 0.666 435 HE3 LYS 61 1HE LYS 61 3.837 -13.510 -0.535 436 HZ1 LYS 61 1HZ LYS 61 1.536 -14.837 -0.492 437 HZ2 LYS 61 2HZ LYS 61 2.429 -15.847 -1.527 438 HZ3 LYS 61 3HZ LYS 61 2.218 -14.205 -1.911 439 H VAL 62 H VAL 62 10.400 -15.777 1.751 440 HA VAL 62 HA VAL 62 11.175 -18.357 0.605 441 HB VAL 62 HB VAL 62 12.398 -16.332 -0.519 442 HG11 VAL 62 1HG1 VAL 62 12.922 -15.452 1.879 443 HG12 VAL 62 2HG1 VAL 62 14.198 -15.389 0.664 444 HG13 VAL 62 3HG1 VAL 62 14.196 -16.672 1.875 445 HG21 VAL 62 1HG2 VAL 62 13.237 -18.393 -1.152 446 HG22 VAL 62 2HG2 VAL 62 13.477 -18.924 0.512 447 HG23 VAL 62 3HG2 VAL 62 14.614 -17.794 -0.227 448 H THR 63 H THR 63 10.357 -16.742 3.239 449 HA THR 63 HA THR 63 12.119 -18.346 4.969 450 HB THR 63 HB THR 63 11.569 -16.061 6.452 451 HG1 THR 63 1HG THR 63 12.601 -15.075 4.074 452 HG21 THR 63 1HG2 THR 63 13.712 -17.324 6.338 453 HG22 THR 63 2HG2 THR 63 13.959 -15.587 6.172 454 HG23 THR 63 3HG2 THR 63 14.014 -16.626 4.748 455 HA PRO 64 HA PRO 64 8.548 -19.725 7.176 456 HB2 PRO 64 2HB PRO 64 9.407 -18.096 9.540 457 HB3 PRO 64 1HB PRO 64 8.911 -19.798 9.463 458 HG2 PRO 64 2HG PRO 64 11.474 -19.097 9.674 459 HG3 PRO 64 1HG PRO 64 10.962 -20.506 8.730 460 HD2 PRO 64 2HD PRO 64 11.978 -17.889 7.781 461 HD3 PRO 64 1HD PRO 64 12.015 -19.471 6.978 462 H ASP 65 H ASP 65 9.254 -16.425 6.730 463 HA ASP 65 HA ASP 65 6.874 -15.447 5.989 464 HB2 ASP 65 2HB ASP 65 5.584 -15.934 7.851 465 HB3 ASP 65 1HB ASP 65 6.921 -15.694 8.975 466 H LEU 66 H LEU 66 8.450 -14.214 4.887 467 HA LEU 66 HA LEU 66 9.113 -11.726 6.230 468 HB2 LEU 66 2HB LEU 66 11.026 -13.713 6.297 469 HB3 LEU 66 1HB LEU 66 11.477 -12.789 4.865 470 HG LEU 66 HG LEU 66 10.995 -11.647 7.633 471 HD11 LEU 66 1HD1 LEU 66 13.598 -11.154 6.500 472 HD12 LEU 66 2HD1 LEU 66 13.272 -12.887 6.491 473 HD13 LEU 66 3HD1 LEU 66 13.188 -11.982 8.004 474 HD21 LEU 66 1HD2 LEU 66 12.228 -9.688 6.220 475 HD22 LEU 66 2HD2 LEU 66 10.474 -9.817 6.351 476 HD23 LEU 66 3HD2 LEU 66 11.300 -10.452 4.929 477 H GLU 67 H GLU 67 8.155 -10.415 4.790 478 HA GLU 67 HA GLU 67 9.000 -10.648 1.969 479 HB2 GLU 67 2HB GLU 67 6.378 -9.606 1.987 480 HB3 GLU 67 1HB GLU 67 6.913 -11.167 1.368 481 HG2 GLU 67 2HG GLU 67 6.602 -12.190 3.559 482 HG3 GLU 67 1HG GLU 67 6.180 -10.630 4.260 483 HA PRO 68 HA PRO 68 10.023 -6.397 3.453 484 HB2 PRO 68 2HB PRO 68 11.218 -6.379 0.718 485 HB3 PRO 68 1HB PRO 68 11.920 -5.846 2.257 486 HG2 PRO 68 2HG PRO 68 12.656 -8.131 1.097 487 HG3 PRO 68 1HG PRO 68 12.555 -7.963 2.858 488 HD2 PRO 68 2HD PRO 68 10.724 -9.404 0.996 489 HD3 PRO 68 1HD PRO 68 11.108 -9.751 2.697 490 H TYR 69 H TYR 69 9.582 -4.230 2.338 491 HA TYR 69 HA TYR 69 7.339 -4.482 0.423 492 HB2 TYR 69 2HB TYR 69 7.055 -3.711 3.037 493 HB3 TYR 69 1HB TYR 69 7.243 -2.161 2.217 494 HD1 TYR 69 1HD TYR 69 4.920 -4.662 3.125 495 HD2 TYR 69 2HD TYR 69 5.883 -1.943 -0.061 496 HE1 TYR 69 1HE TYR 69 2.589 -4.811 2.290 497 HE2 TYR 69 2HE TYR 69 3.552 -2.093 -0.894 498 HH TYR 69 HH TYR 69 1.559 -4.318 -0.382 499 H ALA 70 H ALA 70 7.482 -3.282 -1.340 500 HA ALA 70 HA ALA 70 9.113 -0.843 -1.330 501 HB1 ALA 70 1HB ALA 70 9.939 -3.330 -2.540 502 HB2 ALA 70 2HB ALA 70 10.811 -1.800 -2.438 503 HB3 ALA 70 3HB ALA 70 9.705 -2.098 -3.780 504 H TRP 71 H TRP 71 7.971 0.729 -2.242 505 HA TRP 71 HA TRP 71 5.966 0.015 -4.303 506 HB2 TRP 71 2HB TRP 71 4.466 0.779 -2.805 507 HB3 TRP 71 1HB TRP 71 5.710 1.537 -1.812 508 HD1 TRP 71 HD TRP 71 6.501 4.008 -2.499 509 HE1 TRP 71 1HE TRP 71 5.285 5.875 -3.797 510 HE3 TRP 71 3HE TRP 71 2.787 1.276 -4.694 511 HZ2 TRP 71 2HZ TRP 71 3.032 6.168 -5.538 512 HZ3 TRP 71 3HZ TRP 71 1.121 2.374 -6.166 513 HH2 TRP 71 HH TRP 71 1.240 4.814 -6.590 514 H ALA 72 H ALA 72 6.030 1.117 -6.167 515 HA ALA 72 HA ALA 72 7.566 3.623 -6.306 516 HB1 ALA 72 1HB ALA 72 8.667 2.834 -8.388 517 HB2 ALA 72 2HB ALA 72 7.969 1.236 -8.126 518 HB3 ALA 72 3HB ALA 72 9.140 1.886 -6.978 519 H GLY 73 H GLY 73 6.491 5.135 -7.411 520 HA2 GLY 73 2HA GLY 73 5.115 4.813 -9.813 521 HA3 GLY 73 1HA GLY 73 3.929 4.645 -8.524 522 H ALA 74 H ALA 74 2.970 6.590 -9.463 523 HA ALA 74 HA ALA 74 4.299 9.042 -8.471 524 HB1 ALA 74 1HB ALA 74 2.469 9.090 -10.848 525 HB2 ALA 74 2HB ALA 74 4.167 8.664 -11.054 526 HB3 ALA 74 3HB ALA 74 3.727 10.236 -10.388 527 H THR 75 H THR 75 2.623 10.876 -8.310 528 HA THR 75 HA THR 75 0.003 9.855 -7.426 529 HB THR 75 HB THR 75 1.429 10.047 -5.425 530 HG1 THR 75 1HG THR 75 0.058 11.998 -4.592 531 HG21 THR 75 1HG2 THR 75 2.768 11.835 -5.004 532 HG22 THR 75 2HG2 THR 75 1.562 12.990 -5.575 533 HG23 THR 75 3HG2 THR 75 2.594 12.150 -6.731 534 H TYR 76 H TYR 76 -1.557 10.961 -8.403 535 HA TYR 76 HA TYR 76 -0.957 13.645 -9.456 536 HB2 TYR 76 2HB TYR 76 -3.455 12.134 -10.117 537 HB3 TYR 76 1HB TYR 76 -2.542 13.274 -11.105 538 HD1 TYR 76 1HD TYR 76 -3.314 9.894 -10.762 539 HD2 TYR 76 2HD TYR 76 0.046 12.485 -11.442 540 HE1 TYR 76 1HE TYR 76 -2.076 8.016 -11.803 541 HE2 TYR 76 2HE TYR 76 1.283 10.605 -12.484 542 HH TYR 76 HH TYR 76 0.593 7.515 -12.100 543 H ASN 77 H ASN 77 -1.551 15.273 -8.181 544 HA ASN 77 HA ASN 77 -3.674 14.942 -6.221 545 HB2 ASN 77 2HB ASN 77 -1.821 17.242 -6.866 546 HB3 ASN 77 1HB ASN 77 -3.045 17.295 -5.598 547 HD21 ASN 77 1HD2 ASN 77 -1.748 14.145 -5.995 548 HD22 ASN 77 2HD2 ASN 77 -0.652 14.189 -4.700 549 H THR 78 H THR 78 -5.545 16.242 -6.116 550 HA THR 78 HA THR 78 -6.971 16.588 -8.473 551 HB THR 78 HB THR 78 -7.288 17.881 -5.762 552 HG1 THR 78 1HG THR 78 -9.229 16.385 -6.079 553 HG21 THR 78 1HG2 THR 78 -8.880 18.190 -8.294 554 HG22 THR 78 2HG2 THR 78 -8.407 19.423 -7.124 555 HG23 THR 78 3HG2 THR 78 -9.686 18.273 -6.727 556 H ASP 79 H ASP 79 -4.689 18.711 -6.918 557 HA ASP 79 HA ASP 79 -5.442 21.085 -8.348 558 HB2 ASP 79 2HB ASP 79 -3.685 20.423 -6.228 559 HB3 ASP 79 1HB ASP 79 -2.703 21.145 -7.500 560 H ASN 80 H ASN 80 -4.701 18.463 -9.771 561 HA ASN 80 HA ASN 80 -3.723 17.878 -11.765 562 HB2 ASN 80 2HB ASN 80 -4.513 20.499 -12.073 563 HB3 ASN 80 1HB ASN 80 -2.805 20.562 -12.500 564 HD21 ASN 80 1HD2 ASN 80 -2.095 19.322 -14.376 565 HD22 ASN 80 2HD2 ASN 80 -3.209 18.677 -15.482 566 H THR 81 H THR 81 -2.153 18.133 -9.263 567 HA THR 81 HA THR 81 0.513 18.838 -10.271 568 HB THR 81 HB THR 81 0.365 17.822 -7.538 569 HG1 THR 81 1HG THR 81 -0.681 20.091 -7.141 570 HG21 THR 81 1HG2 THR 81 2.251 19.101 -8.517 571 HG22 THR 81 2HG2 THR 81 1.574 19.908 -7.102 572 HG23 THR 81 3HG2 THR 81 1.182 20.491 -8.720 573 H LEU 82 H LEU 82 1.777 17.321 -11.101 574 HA LEU 82 HA LEU 82 1.375 14.509 -10.262 575 HB2 LEU 82 2HB LEU 82 2.602 15.275 -12.893 576 HB3 LEU 82 1HB LEU 82 1.778 13.783 -12.441 577 HG LEU 82 HG LEU 82 -0.247 15.514 -12.054 578 HD11 LEU 82 1HD1 LEU 82 1.072 16.671 -14.500 579 HD12 LEU 82 2HD1 LEU 82 1.440 17.329 -12.906 580 HD13 LEU 82 3HD1 LEU 82 -0.218 17.352 -13.508 581 HD21 LEU 82 1HD2 LEU 82 -0.901 14.967 -14.465 582 HD22 LEU 82 2HD2 LEU 82 -0.492 13.585 -13.451 583 HD23 LEU 82 3HD2 LEU 82 0.679 14.197 -14.619 584 H VAL 83 H VAL 83 3.003 13.762 -9.080 585 HA VAL 83 HA VAL 83 5.751 14.468 -9.817 586 HB VAL 83 HB VAL 83 5.969 14.521 -7.107 587 HG11 VAL 83 1HG1 VAL 83 7.013 16.206 -8.394 588 HG12 VAL 83 2HG1 VAL 83 5.815 17.090 -7.449 589 HG13 VAL 83 3HG1 VAL 83 5.492 16.701 -9.137 590 HG21 VAL 83 1HG2 VAL 83 4.146 15.724 -6.138 591 HG22 VAL 83 2HG2 VAL 83 3.411 14.395 -7.036 592 HG23 VAL 83 3HG2 VAL 83 3.414 16.025 -7.714 593 HA PRO 84 HA PRO 84 6.442 10.189 -8.967 594 HB2 PRO 84 2HB PRO 84 9.029 10.184 -8.070 595 HB3 PRO 84 1HB PRO 84 8.585 10.423 -9.771 596 HG2 PRO 84 2HG PRO 84 9.355 12.430 -7.715 597 HG3 PRO 84 1HG PRO 84 9.765 12.361 -9.438 598 HD2 PRO 84 2HD PRO 84 7.820 14.007 -8.432 599 HD3 PRO 84 1HD PRO 84 7.786 13.360 -10.087 600 H ALA 85 H ALA 85 6.877 8.603 -7.259 601 HA ALA 85 HA ALA 85 6.963 9.658 -4.522 602 HB1 ALA 85 1HB ALA 85 4.682 8.163 -5.762 603 HB2 ALA 85 2HB ALA 85 4.651 9.514 -4.628 604 HB3 ALA 85 3HB ALA 85 5.063 7.896 -4.060 605 H ALA 86 H ALA 86 8.082 8.377 -3.153 606 HA ALA 86 HA ALA 86 8.640 5.597 -3.953 607 HB1 ALA 86 1HB ALA 86 10.952 6.874 -2.730 608 HB2 ALA 86 2HB ALA 86 10.499 7.650 -4.246 609 HB3 ALA 86 3HB ALA 86 10.849 5.923 -4.211 610 H GLY 87 H GLY 87 8.536 4.191 -2.303 611 HA2 GLY 87 2HA GLY 87 8.829 5.165 0.455 612 HA3 GLY 87 1HA GLY 87 7.330 4.355 0.011 613 H ALA 88 H ALA 88 9.001 3.371 2.018 614 HA ALA 88 HA ALA 88 9.619 0.739 0.917 615 HB1 ALA 88 1HB ALA 88 11.712 2.052 2.626 616 HB2 ALA 88 2HB ALA 88 11.713 2.282 0.877 617 HB3 ALA 88 3HB ALA 88 11.866 0.659 1.553 618 H GLY 89 H GLY 89 9.215 -0.874 2.346 619 HA2 GLY 89 2HA GLY 89 9.188 -0.418 5.203 620 HA3 GLY 89 1HA GLY 89 7.586 -0.633 4.503 621 H PHE 90 H PHE 90 7.467 -2.546 5.872 622 HA PHE 90 HA PHE 90 8.597 -4.885 4.501 623 HB2 PHE 90 2HB PHE 90 8.548 -4.706 7.510 624 HB3 PHE 90 1HB PHE 90 9.359 -5.904 6.503 625 HD1 PHE 90 1HD PHE 90 9.636 -2.691 8.121 626 HD2 PHE 90 2HD PHE 90 11.269 -5.142 4.995 627 HE1 PHE 90 1HE PHE 90 11.679 -1.284 8.084 628 HE2 PHE 90 2HE PHE 90 13.311 -3.737 4.958 629 HZ PHE 90 HZ PHE 90 13.516 -1.807 6.502 630 H ARG 91 H ARG 91 7.492 -6.928 5.202 631 HA ARG 91 HA ARG 91 4.715 -6.434 6.083 632 HB2 ARG 91 2HB ARG 91 5.369 -6.985 3.476 633 HB3 ARG 91 1HB ARG 91 5.035 -8.593 4.120 634 HG2 ARG 91 2HG ARG 91 2.896 -7.628 5.102 635 HG3 ARG 91 1HG ARG 91 3.206 -6.183 4.139 636 HD2 ARG 91 2HD ARG 91 3.024 -8.975 2.981 637 HD3 ARG 91 1HD ARG 91 1.678 -7.841 3.023 638 HE ARG 91 HE ARG 91 3.768 -6.480 1.815 639 HH11 ARG 91 1HH1 ARG 91 3.976 -6.419 -0.446 640 HH12 ARG 91 2HH1 ARG 91 3.256 -7.665 -1.410 641 HH21 ARG 91 1HH2 ARG 91 1.957 -9.384 1.307 642 HH22 ARG 91 2HH2 ARG 91 2.113 -9.345 -0.419 643 H TYR 92 H TYR 92 4.317 -7.558 7.845 644 HA TYR 92 HA TYR 92 5.500 -10.252 8.137 645 HB2 TYR 92 2HB TYR 92 6.740 -8.735 9.585 646 HB3 TYR 92 1HB TYR 92 5.238 -8.118 10.270 647 HD1 TYR 92 1HD TYR 92 4.102 -9.278 12.013 648 HD2 TYR 92 2HD TYR 92 7.350 -11.164 9.929 649 HE1 TYR 92 1HE TYR 92 4.111 -11.109 13.686 650 HE2 TYR 92 2HE TYR 92 7.359 -12.995 11.601 651 HH TYR 92 HH TYR 92 6.505 -13.067 14.251 652 H LYS 93 H LYS 93 3.851 -11.639 8.035 653 HA LYS 93 HA LYS 93 1.146 -10.939 8.547 654 HB2 LYS 93 2HB LYS 93 0.640 -13.231 8.125 655 HB3 LYS 93 1HB LYS 93 1.985 -12.823 7.060 656 HG2 LYS 93 2HG LYS 93 3.473 -13.661 9.045 657 HG3 LYS 93 1HG LYS 93 2.000 -14.478 9.569 658 HD2 LYS 93 2HD LYS 93 1.894 -15.283 7.069 659 HD3 LYS 93 1HD LYS 93 3.618 -14.910 7.075 660 HE2 LYS 93 2HE LYS 93 3.510 -17.186 7.724 661 HE3 LYS 93 1HE LYS 93 3.728 -16.310 9.238 662 HZ1 LYS 93 1HZ LYS 93 1.000 -16.400 8.732 663 HZ2 LYS 93 2HZ LYS 93 1.856 -17.214 9.953 664 HZ3 LYS 93 3HZ LYS 93 1.588 -17.967 8.454 665 H VAL 94 H VAL 94 0.141 -10.711 10.428 666 HA VAL 94 HA VAL 94 1.423 -11.676 12.874 667 HB VAL 94 HB VAL 94 0.638 -9.374 12.878 668 HG11 VAL 94 1HG1 VAL 94 -1.286 -8.756 11.881 669 HG12 VAL 94 2HG1 VAL 94 -2.214 -9.886 12.864 670 HG13 VAL 94 3HG1 VAL 94 -1.481 -10.427 11.355 671 HG21 VAL 94 1HG2 VAL 94 -0.132 -9.517 15.015 672 HG22 VAL 94 2HG2 VAL 94 0.111 -11.252 14.811 673 HG23 VAL 94 3HG2 VAL 94 -1.486 -10.550 14.554 674 H SER 95 H SER 95 -1.395 -12.241 10.879 675 HA SER 95 HA SER 95 -2.022 -14.604 12.515 676 HB2 SER 95 2HB SER 95 -3.627 -12.251 12.367 677 HB3 SER 95 1HB SER 95 -4.469 -13.541 11.513 678 HG SER 95 HG SER 95 -3.267 -14.284 13.880 679 HA PRO 96 HA PRO 96 -2.415 -16.659 8.651 680 HB2 PRO 96 2HB PRO 96 -4.547 -18.337 9.055 681 HB3 PRO 96 1HB PRO 96 -2.942 -18.599 9.762 682 HG2 PRO 96 2HG PRO 96 -5.399 -17.480 11.006 683 HG3 PRO 96 1HG PRO 96 -4.168 -18.551 11.696 684 HD2 PRO 96 2HD PRO 96 -4.269 -15.862 12.213 685 HD3 PRO 96 1HD PRO 96 -2.762 -16.804 12.245 686 H GLU 97 H GLU 97 -4.899 -14.627 9.747 687 HA GLU 97 HA GLU 97 -6.186 -14.648 7.079 688 HB2 GLU 97 2HB GLU 97 -7.454 -14.176 9.785 689 HB3 GLU 97 1HB GLU 97 -8.265 -13.902 8.243 690 HG2 GLU 97 2HG GLU 97 -6.976 -16.557 8.824 691 HG3 GLU 97 1HG GLU 97 -8.590 -16.200 9.435 692 H VAL 98 H VAL 98 -4.851 -12.798 9.711 693 HA VAL 98 HA VAL 98 -5.344 -10.300 8.200 694 HB VAL 98 HB VAL 98 -4.740 -10.583 11.151 695 HG11 VAL 98 1HG1 VAL 98 -4.670 -8.381 9.365 696 HG12 VAL 98 2HG1 VAL 98 -4.554 -8.341 11.124 697 HG13 VAL 98 3HG1 VAL 98 -6.126 -8.193 10.341 698 HG21 VAL 98 1HG2 VAL 98 -7.244 -9.807 11.217 699 HG22 VAL 98 2HG2 VAL 98 -6.882 -11.515 10.970 700 HG23 VAL 98 3HG2 VAL 98 -7.314 -10.499 9.596 701 H LYS 99 H LYS 99 -3.646 -8.985 7.705 702 HA LYS 99 HA LYS 99 -0.948 -9.884 8.533 703 HB2 LYS 99 2HB LYS 99 -1.903 -8.979 5.813 704 HB3 LYS 99 1HB LYS 99 -0.198 -9.057 6.257 705 HG2 LYS 99 2HG LYS 99 -0.193 -11.373 6.388 706 HG3 LYS 99 1HG LYS 99 -1.915 -11.458 6.759 707 HD2 LYS 99 2HD LYS 99 -1.446 -12.259 4.463 708 HD3 LYS 99 1HD LYS 99 -2.461 -10.817 4.448 709 HE2 LYS 99 2HE LYS 99 -0.636 -9.414 3.835 710 HE3 LYS 99 1HE LYS 99 0.548 -10.666 4.207 711 HZ1 LYS 99 1HZ LYS 99 -1.512 -10.934 2.090 712 HZ2 LYS 99 2HZ LYS 99 -0.181 -11.952 2.371 713 HZ3 LYS 99 3HZ LYS 99 0.062 -10.372 1.797 714 H LEU 100 H LEU 100 0.529 -8.299 9.031 715 HA LEU 100 HA LEU 100 -0.566 -5.565 9.257 716 HB2 LEU 100 2HB LEU 100 0.337 -7.005 11.278 717 HB3 LEU 100 1HB LEU 100 1.904 -6.445 10.694 718 HG LEU 100 HG LEU 100 0.661 -4.098 10.630 719 HD11 LEU 100 1HD1 LEU 100 -1.466 -5.423 11.428 720 HD12 LEU 100 2HD1 LEU 100 -1.116 -3.841 12.126 721 HD13 LEU 100 3HD1 LEU 100 -0.707 -5.309 13.017 722 HD21 LEU 100 1HD2 LEU 100 2.651 -4.577 11.970 723 HD22 LEU 100 2HD2 LEU 100 1.676 -5.453 13.149 724 HD23 LEU 100 3HD2 LEU 100 1.476 -3.711 12.958 725 H VAL 101 H VAL 101 0.618 -3.797 8.562 726 HA VAL 101 HA VAL 101 3.142 -4.316 7.140 727 HB VAL 101 HB VAL 101 1.125 -4.327 5.562 728 HG11 VAL 101 1HG1 VAL 101 -0.107 -2.406 5.232 729 HG12 VAL 101 2HG1 VAL 101 1.220 -1.346 5.706 730 HG13 VAL 101 3HG1 VAL 101 0.281 -2.189 6.938 731 HG21 VAL 101 1HG2 VAL 101 3.465 -3.955 4.831 732 HG22 VAL 101 2HG2 VAL 101 3.289 -2.233 5.165 733 HG23 VAL 101 3HG2 VAL 101 2.335 -2.985 3.886 734 H VAL 102 H VAL 102 4.508 -2.501 6.952 735 HA VAL 102 HA VAL 102 3.682 -0.007 8.209 736 HB VAL 102 HB VAL 102 6.211 -1.389 9.111 737 HG11 VAL 102 1HG1 VAL 102 5.777 1.162 9.279 738 HG12 VAL 102 2HG1 VAL 102 6.304 0.321 10.736 739 HG13 VAL 102 3HG1 VAL 102 4.604 0.737 10.524 740 HG21 VAL 102 1HG2 VAL 102 4.924 -1.884 11.216 741 HG22 VAL 102 2HG2 VAL 102 4.373 -2.812 9.821 742 HG23 VAL 102 3HG2 VAL 102 3.450 -1.413 10.372 743 H GLU 103 H GLU 103 4.115 1.347 6.623 744 HA GLU 103 HA GLU 103 6.812 1.356 5.455 745 HB2 GLU 103 2HB GLU 103 5.792 1.828 3.209 746 HB3 GLU 103 1HB GLU 103 5.504 0.191 3.802 747 HG2 GLU 103 2HG GLU 103 3.271 0.512 3.889 748 HG3 GLU 103 1HG GLU 103 3.453 2.067 4.700 749 H TYR 104 H TYR 104 7.485 3.372 4.624 750 HA TYR 104 HA TYR 104 5.837 5.679 5.478 751 HB2 TYR 104 2HB TYR 104 8.310 6.696 5.674 752 HB3 TYR 104 1HB TYR 104 7.516 5.880 7.022 753 HD1 TYR 104 1HD TYR 104 10.125 5.641 4.456 754 HD2 TYR 104 2HD TYR 104 8.085 3.556 7.607 755 HE1 TYR 104 1HE TYR 104 11.910 3.919 4.470 756 HE2 TYR 104 2HE TYR 104 9.869 1.832 7.622 757 HH TYR 104 HH TYR 104 12.209 1.591 5.144 758 H GLY 105 H GLY 105 5.656 7.343 4.057 759 HA2 GLY 105 2HA GLY 105 6.662 6.884 1.354 760 HA3 GLY 105 1HA GLY 105 5.470 8.088 1.836 761 H TRP 106 H TRP 106 8.172 8.105 0.337 762 HA TRP 106 HA TRP 106 9.127 10.573 1.598 763 HB2 TRP 106 2HB TRP 106 10.693 9.142 2.582 764 HB3 TRP 106 1HB TRP 106 10.759 8.088 1.171 765 HD1 TRP 106 HD TRP 106 11.595 11.773 2.024 766 HE1 TRP 106 1HE TRP 106 13.709 12.437 0.704 767 HE3 TRP 106 3HE TRP 106 12.405 7.455 -0.580 768 HZ2 TRP 106 2HZ TRP 106 15.505 11.289 -1.202 769 HZ3 TRP 106 3HZ TRP 106 14.323 7.267 -2.139 770 HH2 TRP 106 HH TRP 106 15.872 9.177 -2.454 771 H ASN 107 H ASN 107 9.767 12.083 0.146 772 HA ASN 107 HA ASN 107 10.392 11.295 -2.602 773 HB2 ASN 107 2HB ASN 107 8.014 11.579 -2.766 774 HB3 ASN 107 1HB ASN 107 8.072 13.083 -1.848 775 HD21 ASN 107 1HD2 ASN 107 7.546 14.689 -3.358 776 HD22 ASN 107 2HD2 ASN 107 8.301 14.868 -4.868 777 H ASN 108 H ASN 108 12.051 12.466 -3.323 778 HA ASN 108 HA ASN 108 13.737 14.036 -3.341 779 HB2 ASN 108 2HB ASN 108 11.223 15.324 -3.711 780 HB3 ASN 108 1HB ASN 108 12.235 16.383 -2.729 781 HD21 ASN 108 1HD2 ASN 108 14.506 16.796 -3.638 782 HD22 ASN 108 2HD2 ASN 108 14.685 16.836 -5.326 783 H SER 109 H SER 109 14.291 16.312 -2.037 784 HA SER 109 HA SER 109 14.890 15.379 0.627 785 HB2 SER 109 2HB SER 109 15.829 17.824 0.750 786 HB3 SER 109 1HB SER 109 16.644 16.623 -0.248 787 HG SER 109 HG SER 109 15.368 17.429 -2.015 788 H SER 110 H SER 110 12.816 15.187 1.583 789 HA SER 110 HA SER 110 11.870 17.664 2.763 790 HB2 SER 110 2HB SER 110 9.442 16.844 2.060 791 HB3 SER 110 1HB SER 110 10.387 17.910 1.023 792 HG SER 110 HG SER 110 10.690 15.125 0.817 793 H LEU 111 H LEU 111 10.046 17.192 4.333 794 HA LEU 111 HA LEU 111 10.820 15.259 6.186 795 HB2 LEU 111 2HB LEU 111 8.022 16.362 5.865 796 HB3 LEU 111 1HB LEU 111 8.759 15.736 7.340 797 HG LEU 111 HG LEU 111 9.690 18.181 5.805 798 HD11 LEU 111 1HD1 LEU 111 7.501 18.265 7.185 799 HD12 LEU 111 2HD1 LEU 111 8.726 19.487 7.523 800 HD13 LEU 111 3HD1 LEU 111 8.546 18.098 8.596 801 HD21 LEU 111 1HD2 LEU 111 11.634 17.371 6.818 802 HD22 LEU 111 2HD2 LEU 111 10.751 16.659 8.169 803 HD23 LEU 111 3HD2 LEU 111 10.986 18.405 8.091 804 H GLN 112 H GLN 112 9.852 13.279 6.835 805 HA GLN 112 HA GLN 112 8.585 11.819 4.600 806 HB2 GLN 112 2HB GLN 112 9.899 10.520 6.974 807 HB3 GLN 112 1HB GLN 112 9.624 9.859 5.362 808 HG2 GLN 112 2HG GLN 112 11.848 10.392 5.133 809 HG3 GLN 112 1HG GLN 112 11.156 11.948 4.676 810 HE21 GLN 112 1HE2 GLN 112 11.998 13.697 5.812 811 HE22 GLN 112 2HE2 GLN 112 12.713 13.605 7.348 812 H PHE 113 H PHE 113 7.301 9.831 5.536 813 HA PHE 113 HA PHE 113 5.741 10.592 7.904 814 HB2 PHE 113 2HB PHE 113 3.928 9.620 5.908 815 HB3 PHE 113 1HB PHE 113 3.912 11.171 6.748 816 HD1 PHE 113 1HD PHE 113 5.088 13.130 5.808 817 HD2 PHE 113 2HD PHE 113 4.895 9.395 3.700 818 HE1 PHE 113 1HE PHE 113 5.804 14.269 3.724 819 HE2 PHE 113 2HE PHE 113 5.613 10.532 1.617 820 HZ PHE 113 HZ PHE 113 6.067 12.970 1.629 821 H LEU 114 H LEU 114 4.611 8.855 8.866 822 HA LEU 114 HA LEU 114 5.322 6.166 7.848 823 HB2 LEU 114 2HB LEU 114 5.143 6.845 10.781 824 HB3 LEU 114 1HB LEU 114 5.852 5.416 10.027 825 HG LEU 114 HG LEU 114 7.331 7.351 8.839 826 HD11 LEU 114 1HD1 LEU 114 7.854 9.109 10.380 827 HD12 LEU 114 2HD1 LEU 114 6.919 8.347 11.667 828 HD13 LEU 114 3HD1 LEU 114 6.094 9.055 10.279 829 HD21 LEU 114 1HD2 LEU 114 9.041 6.849 10.623 830 HD22 LEU 114 2HD2 LEU 114 8.274 5.412 9.947 831 HD23 LEU 114 3HD2 LEU 114 7.775 6.019 11.526 832 H GLN 115 H GLN 115 3.739 4.599 8.004 833 HA GLN 115 HA GLN 115 1.294 5.157 9.483 834 HB2 GLN 115 2HB GLN 115 -0.188 5.171 7.643 835 HB3 GLN 115 1HB GLN 115 1.117 6.261 7.173 836 HG2 GLN 115 2HG GLN 115 2.207 4.187 6.091 837 HG3 GLN 115 1HG GLN 115 0.625 3.428 6.258 838 HE21 GLN 115 1HE2 GLN 115 2.329 4.703 3.881 839 HE22 GLN 115 2HE2 GLN 115 1.146 5.582 3.040 840 H ALA 116 H ALA 116 -0.090 3.337 9.670 841 HA ALA 116 HA ALA 116 1.197 0.764 8.964 842 HB1 ALA 116 1HB ALA 116 -0.226 -0.012 11.034 843 HB2 ALA 116 2HB ALA 116 -0.157 1.695 11.472 844 HB3 ALA 116 3HB ALA 116 1.333 0.771 11.283 845 H GLY 117 H GLY 117 -0.062 -0.790 8.035 846 HA2 GLY 117 2HA GLY 117 -2.944 -0.211 7.704 847 HA3 GLY 117 1HA GLY 117 -1.947 -0.638 6.318 848 H LEU 118 H LEU 118 -4.042 -2.200 6.669 849 HA LEU 118 HA LEU 118 -2.873 -4.710 7.678 850 HB2 LEU 118 2HB LEU 118 -5.719 -3.807 8.188 851 HB3 LEU 118 1HB LEU 118 -5.021 -5.355 8.663 852 HG LEU 118 HG LEU 118 -3.202 -3.660 9.751 853 HD11 LEU 118 1HD1 LEU 118 -4.411 -1.794 10.796 854 HD12 LEU 118 2HD1 LEU 118 -5.892 -2.272 9.965 855 HD13 LEU 118 3HD1 LEU 118 -4.513 -1.676 9.039 856 HD21 LEU 118 1HD2 LEU 118 -4.338 -5.501 10.913 857 HD22 LEU 118 2HD2 LEU 118 -5.827 -4.559 10.979 858 HD23 LEU 118 3HD2 LEU 118 -4.412 -4.036 11.890 859 H SER 119 H SER 119 -3.229 -6.450 6.386 860 HA SER 119 HA SER 119 -4.708 -5.950 3.892 861 HB2 SER 119 2HB SER 119 -2.217 -7.121 4.414 862 HB3 SER 119 1HB SER 119 -3.272 -8.461 3.975 863 HG SER 119 HG SER 119 -3.091 -7.777 2.005 864 H TYR 120 H TYR 120 -6.416 -7.178 3.256 865 HA TYR 120 HA TYR 120 -7.215 -9.449 4.958 866 HB2 TYR 120 2HB TYR 120 -8.612 -6.896 4.619 867 HB3 TYR 120 1HB TYR 120 -9.622 -8.297 4.265 868 HD1 TYR 120 1HD TYR 120 -7.622 -6.580 6.846 869 HD2 TYR 120 2HD TYR 120 -10.168 -9.932 5.984 870 HE1 TYR 120 1HE TYR 120 -7.859 -7.026 9.273 871 HE2 TYR 120 2HE TYR 120 -10.402 -10.377 8.413 872 HH TYR 120 HH TYR 120 -9.336 -9.929 10.475 873 H ARG 121 H ARG 121 -7.183 -11.139 3.613 874 HA ARG 121 HA ARG 121 -7.725 -10.825 0.779 875 HB2 ARG 121 2HB ARG 121 -5.970 -12.356 1.391 876 HB3 ARG 121 1HB ARG 121 -7.047 -13.232 2.480 877 HG2 ARG 121 2HG ARG 121 -8.230 -14.222 0.735 878 HG3 ARG 121 1HG ARG 121 -7.802 -12.951 -0.411 879 HD2 ARG 121 2HD ARG 121 -6.622 -15.218 -0.700 880 HD3 ARG 121 1HD ARG 121 -5.603 -13.781 -0.687 881 HE ARG 121 HE ARG 121 -5.718 -14.622 1.944 882 HH11 ARG 121 1HH1 ARG 121 -4.136 -15.999 2.818 883 HH12 ARG 121 2HH1 ARG 121 -3.213 -17.026 1.771 884 HH21 ARG 121 1HH2 ARG 121 -4.793 -15.940 -1.119 885 HH22 ARG 121 2HH2 ARG 121 -3.586 -16.992 -0.459 886 H ILE 122 H ILE 122 -9.544 -11.402 -0.292 887 HA ILE 122 HA ILE 122 -11.891 -12.042 1.328 888 HB ILE 122 HB ILE 122 -11.844 -11.575 -1.651 889 HG12 ILE 122 2HG1 ILE 122 -10.674 -9.681 -0.742 890 HG13 ILE 122 1HG1 ILE 122 -12.335 -9.162 -1.021 891 HG21 ILE 122 1HG2 ILE 122 -14.105 -11.419 -1.450 892 HG22 ILE 122 2HG2 ILE 122 -14.004 -10.548 0.079 893 HG23 ILE 122 3HG2 ILE 122 -13.861 -12.306 0.053 894 HD11 ILE 122 1HD1 ILE 122 -11.019 -9.878 1.600 895 HD12 ILE 122 2HD1 ILE 122 -12.773 -9.837 1.427 896 HD13 ILE 122 3HD1 ILE 122 -11.826 -8.373 1.157 897 H GLN 123 H GLN 123 -10.984 -13.149 -1.930 898 HA GLN 123 HA GLN 123 -11.083 -15.931 -1.065 899 HB2 GLN 123 2HB GLN 123 -13.224 -14.588 -2.596 900 HB3 GLN 123 1HB GLN 123 -12.686 -16.130 -3.256 901 HG2 GLN 123 2HG GLN 123 -13.050 -17.208 -1.073 902 HG3 GLN 123 1HG GLN 123 -13.557 -15.663 -0.389 903 HE21 GLN 123 1HE2 GLN 123 -15.708 -14.940 -0.823 904 HE22 GLN 123 2HE2 GLN 123 -16.827 -15.860 -1.709 905 HA PRO 124 HA PRO 124 -8.054 -16.318 -4.255 906 HB2 PRO 124 2HB PRO 124 -8.448 -18.887 -5.125 907 HB3 PRO 124 1HB PRO 124 -7.674 -18.484 -3.580 908 HG2 PRO 124 2HG PRO 124 -10.459 -19.368 -4.128 909 HG3 PRO 124 1HG PRO 124 -9.383 -19.787 -2.784 910 HD2 PRO 124 2HD PRO 124 -11.404 -17.952 -2.561 911 HD3 PRO 124 1HD PRO 124 -9.920 -17.889 -1.585 Start of MODEL 5 1 H1 MET 1 1HT MET 1 -4.013 -24.497 -4.879 2 H2 MET 1 2HT MET 1 -5.209 -24.727 -6.063 3 H3 MET 1 3HT MET 1 -4.774 -26.005 -5.029 4 HA MET 1 HA MET 1 -6.687 -25.330 -4.017 5 HB2 MET 1 2HB MET 1 -4.829 -23.294 -2.790 6 HB3 MET 1 1HB MET 1 -6.053 -24.286 -1.997 7 HG2 MET 1 2HG MET 1 -3.405 -25.204 -3.141 8 HG3 MET 1 1HG MET 1 -3.918 -25.251 -1.455 9 HE1 MET 1 1HE MET 1 -4.298 -28.888 -1.462 10 HE2 MET 1 2HE MET 1 -4.432 -27.449 -0.456 11 HE3 MET 1 3HE MET 1 -3.032 -27.653 -1.504 12 H GLN 2 H GLN 2 -7.316 -24.270 -6.247 13 HA GLN 2 HA GLN 2 -8.312 -22.532 -7.380 14 HB2 GLN 2 2HB GLN 2 -8.916 -21.743 -4.521 15 HB3 GLN 2 1HB GLN 2 -9.665 -21.003 -5.936 16 HG2 GLN 2 2HG GLN 2 -10.897 -22.889 -6.442 17 HG3 GLN 2 1HG GLN 2 -9.708 -23.983 -5.740 18 HE21 GLN 2 1HE2 GLN 2 -9.736 -24.269 -3.378 19 HE22 GLN 2 2HE2 GLN 2 -11.099 -23.826 -2.469 20 H ASP 3 H ASP 3 -8.298 -19.975 -5.335 21 HA ASP 3 HA ASP 3 -7.264 -17.914 -5.556 22 HB2 ASP 3 2HB ASP 3 -5.894 -19.071 -3.859 23 HB3 ASP 3 1HB ASP 3 -4.851 -19.694 -5.137 24 H GLY 4 H GLY 4 -7.784 -17.596 -7.794 25 HA2 GLY 4 2HA GLY 4 -5.676 -18.255 -9.734 26 HA3 GLY 4 1HA GLY 4 -7.299 -17.687 -10.119 27 HA PRO 5 HA PRO 5 -4.171 -14.149 -10.138 28 HB2 PRO 5 2HB PRO 5 -4.134 -13.688 -12.833 29 HB3 PRO 5 1HB PRO 5 -3.014 -14.796 -12.019 30 HG2 PRO 5 2HG PRO 5 -5.461 -15.395 -13.595 31 HG3 PRO 5 1HG PRO 5 -3.925 -16.273 -13.510 32 HD2 PRO 5 2HD PRO 5 -6.206 -17.053 -12.172 33 HD3 PRO 5 1HD PRO 5 -4.559 -17.467 -11.645 34 H GLY 6 H GLY 6 -4.717 -11.946 -10.418 35 HA2 GLY 6 2HA GLY 6 -6.069 -10.132 -11.064 36 HA3 GLY 6 1HA GLY 6 -7.278 -11.268 -11.653 37 H THR 7 H THR 7 -6.069 -12.068 -8.583 38 HA THR 7 HA THR 7 -8.525 -11.927 -7.274 39 HB THR 7 HB THR 7 -6.163 -11.506 -5.559 40 HG1 THR 7 1HG THR 7 -6.365 -13.840 -7.144 41 HG21 THR 7 1HG2 THR 7 -7.123 -13.326 -4.352 42 HG22 THR 7 2HG2 THR 7 -8.067 -13.846 -5.748 43 HG23 THR 7 3HG2 THR 7 -8.482 -12.351 -4.910 44 H LEU 8 H LEU 8 -9.192 -10.532 -5.501 45 HA LEU 8 HA LEU 8 -8.138 -7.779 -5.679 46 HB2 LEU 8 2HB LEU 8 -10.996 -7.871 -5.133 47 HB3 LEU 8 1HB LEU 8 -10.112 -6.919 -6.322 48 HG LEU 8 HG LEU 8 -9.951 -9.032 -7.730 49 HD11 LEU 8 1HD1 LEU 8 -12.321 -10.225 -6.551 50 HD12 LEU 8 2HD1 LEU 8 -10.996 -10.194 -5.389 51 HD13 LEU 8 3HD1 LEU 8 -10.780 -10.982 -6.951 52 HD21 LEU 8 1HD2 LEU 8 -12.591 -8.910 -8.154 53 HD22 LEU 8 2HD2 LEU 8 -11.520 -7.584 -8.608 54 HD23 LEU 8 3HD2 LEU 8 -12.437 -7.501 -7.104 55 H ASP 9 H ASP 9 -7.803 -6.819 -3.757 56 HA ASP 9 HA ASP 9 -9.140 -7.899 -1.370 57 HB2 ASP 9 2HB ASP 9 -6.244 -7.243 -1.135 58 HB3 ASP 9 1HB ASP 9 -7.208 -8.417 -0.241 59 H VAL 10 H VAL 10 -9.248 -6.446 0.388 60 HA VAL 10 HA VAL 10 -8.874 -3.625 -0.394 61 HB VAL 10 HB VAL 10 -10.633 -4.833 1.756 62 HG11 VAL 10 1HG1 VAL 10 -9.992 -2.609 2.406 63 HG12 VAL 10 2HG1 VAL 10 -11.614 -2.490 1.722 64 HG13 VAL 10 3HG1 VAL 10 -10.216 -2.002 0.765 65 HG21 VAL 10 1HG2 VAL 10 -12.186 -5.099 0.146 66 HG22 VAL 10 2HG2 VAL 10 -10.976 -4.650 -1.057 67 HG23 VAL 10 3HG2 VAL 10 -12.007 -3.413 -0.339 68 H PHE 11 H PHE 11 -7.728 -2.221 0.904 69 HA PHE 11 HA PHE 11 -6.697 -3.126 3.471 70 HB2 PHE 11 2HB PHE 11 -4.442 -3.211 2.931 71 HB3 PHE 11 1HB PHE 11 -5.168 -3.916 1.488 72 HD1 PHE 11 1HD PHE 11 -3.007 -1.369 2.713 73 HD2 PHE 11 2HD PHE 11 -5.822 -2.234 -0.415 74 HE1 PHE 11 1HE PHE 11 -2.026 0.440 1.329 75 HE2 PHE 11 2HE PHE 11 -4.840 -0.424 -1.799 76 HZ PHE 11 HZ PHE 11 -2.942 0.913 -0.926 77 H VAL 12 H VAL 12 -6.122 -1.471 4.809 78 HA VAL 12 HA VAL 12 -6.529 1.262 3.757 79 HB VAL 12 HB VAL 12 -6.824 0.201 6.580 80 HG11 VAL 12 1HG1 VAL 12 -6.147 2.463 6.778 81 HG12 VAL 12 2HG1 VAL 12 -7.908 2.533 6.843 82 HG13 VAL 12 3HG1 VAL 12 -7.062 2.950 5.353 83 HG21 VAL 12 1HG2 VAL 12 -9.171 0.382 6.250 84 HG22 VAL 12 2HG2 VAL 12 -8.576 -0.403 4.786 85 HG23 VAL 12 3HG2 VAL 12 -8.971 1.316 4.767 86 H ALA 13 H ALA 13 -5.126 2.940 4.542 87 HA ALA 13 HA ALA 13 -2.764 2.214 6.036 88 HB1 ALA 13 1HB ALA 13 -2.310 1.579 3.607 89 HB2 ALA 13 2HB ALA 13 -1.160 2.694 4.346 90 HB3 ALA 13 3HB ALA 13 -2.395 3.303 3.244 91 H ALA 14 H ALA 14 -2.733 3.801 7.436 92 HA ALA 14 HA ALA 14 -3.483 6.525 6.611 93 HB1 ALA 14 1HB ALA 14 -4.690 5.741 8.548 94 HB2 ALA 14 2HB ALA 14 -3.535 6.962 9.084 95 HB3 ALA 14 3HB ALA 14 -3.192 5.251 9.340 96 H GLY 15 H GLY 15 -2.011 8.111 6.463 97 HA2 GLY 15 2HA GLY 15 0.766 7.484 7.246 98 HA3 GLY 15 1HA GLY 15 0.298 8.628 5.994 99 H TRP 16 H TRP 16 2.044 9.083 8.271 100 HA TRP 16 HA TRP 16 0.612 11.376 9.433 101 HB2 TRP 16 2HB TRP 16 2.379 9.582 11.102 102 HB3 TRP 16 1HB TRP 16 1.327 10.887 11.654 103 HD1 TRP 16 HD TRP 16 -1.378 10.375 10.550 104 HE1 TRP 16 1HE TRP 16 -2.718 8.216 10.986 105 HE3 TRP 16 3HE TRP 16 2.429 7.213 11.812 106 HZ2 TRP 16 2HZ TRP 16 -2.238 5.506 11.767 107 HZ3 TRP 16 3HZ TRP 16 1.961 4.851 12.397 108 HH2 TRP 16 HH TRP 16 -0.367 3.994 12.376 109 H ASN 17 H ASN 17 1.754 13.169 9.110 110 HA ASN 17 HA ASN 17 4.612 12.941 8.471 111 HB2 ASN 17 2HB ASN 17 3.197 15.548 8.283 112 HB3 ASN 17 1HB ASN 17 4.384 14.827 7.197 113 HD21 ASN 17 1HD2 ASN 17 1.533 15.943 6.729 114 HD22 ASN 17 2HD2 ASN 17 0.756 14.701 5.873 115 H THR 18 H THR 18 6.193 14.097 9.559 116 HA THR 18 HA THR 18 6.005 14.387 12.302 117 HB THR 18 HB THR 18 8.076 15.645 12.185 118 HG1 THR 18 1HG THR 18 8.699 16.051 9.823 119 HG21 THR 18 1HG2 THR 18 7.986 13.174 11.541 120 HG22 THR 18 2HG2 THR 18 9.401 14.067 10.983 121 HG23 THR 18 3HG2 THR 18 8.086 13.711 9.863 122 H ASP 19 H ASP 19 4.920 16.527 9.810 123 HA ASP 19 HA ASP 19 4.831 18.929 11.345 124 HB2 ASP 19 2HB ASP 19 4.729 18.764 8.823 125 HB3 ASP 19 1HB ASP 19 3.065 18.210 9.000 126 H ASN 20 H ASN 20 3.408 16.178 12.097 127 HA ASN 20 HA ASN 20 1.654 15.624 13.475 128 HB2 ASN 20 2HB ASN 20 0.853 18.504 13.690 129 HB3 ASN 20 1HB ASN 20 0.805 17.239 14.915 130 HD21 ASN 20 1HD2 ASN 20 3.111 16.372 15.533 131 HD22 ASN 20 2HD2 ASN 20 4.338 17.539 15.656 132 H THR 21 H THR 21 1.363 15.883 10.577 133 HA THR 21 HA THR 21 -1.457 16.692 10.316 134 HB THR 21 HB THR 21 -0.528 15.943 7.799 135 HG1 THR 21 1HG THR 21 1.562 16.220 9.244 136 HG21 THR 21 1HG2 THR 21 -0.591 18.668 9.126 137 HG22 THR 21 2HG2 THR 21 -1.946 17.875 8.323 138 HG23 THR 21 3HG2 THR 21 -0.543 18.385 7.386 139 H ILE 22 H ILE 22 -3.039 15.263 9.741 140 HA ILE 22 HA ILE 22 -2.299 12.412 9.834 141 HB ILE 22 HB ILE 22 -4.904 12.241 10.093 142 HG12 ILE 22 2HG1 ILE 22 -4.399 15.068 11.069 143 HG13 ILE 22 1HG1 ILE 22 -5.188 14.694 9.535 144 HG21 ILE 22 1HG2 ILE 22 -3.320 11.647 11.852 145 HG22 ILE 22 2HG2 ILE 22 -4.630 12.602 12.550 146 HG23 ILE 22 3HG2 ILE 22 -3.064 13.349 12.235 147 HD11 ILE 22 1HD1 ILE 22 -6.141 13.886 12.298 148 HD12 ILE 22 2HD1 ILE 22 -6.886 13.351 10.791 149 HD13 ILE 22 3HD1 ILE 22 -6.901 15.061 11.224 150 H GLU 23 H GLU 23 -2.961 10.974 8.259 151 HA GLU 23 HA GLU 23 -4.320 12.086 5.890 152 HB2 GLU 23 2HB GLU 23 -1.591 10.951 6.060 153 HB3 GLU 23 1HB GLU 23 -2.579 10.374 4.719 154 HG2 GLU 23 2HG GLU 23 -2.857 12.537 3.829 155 HG3 GLU 23 1HG GLU 23 -2.393 13.315 5.341 156 H ILE 24 H ILE 24 -5.566 10.619 4.732 157 HA ILE 24 HA ILE 24 -5.793 7.897 5.862 158 HB ILE 24 HB ILE 24 -8.009 9.853 5.244 159 HG12 ILE 24 2HG1 ILE 24 -7.897 8.168 7.696 160 HG13 ILE 24 1HG1 ILE 24 -6.685 9.442 7.565 161 HG21 ILE 24 1HG2 ILE 24 -8.039 6.847 5.508 162 HG22 ILE 24 2HG2 ILE 24 -8.799 7.847 4.271 163 HG23 ILE 24 3HG2 ILE 24 -9.460 7.814 5.906 164 HD11 ILE 24 1HD1 ILE 24 -8.454 11.107 7.179 165 HD12 ILE 24 2HD1 ILE 24 -8.732 10.255 8.700 166 HD13 ILE 24 3HD1 ILE 24 -9.677 9.840 7.271 167 H THR 25 H THR 25 -5.543 6.388 4.357 168 HA THR 25 HA THR 25 -6.437 6.942 1.606 169 HB THR 25 HB THR 25 -3.750 5.774 2.369 170 HG1 THR 25 1HG THR 25 -4.030 8.090 2.484 171 HG21 THR 25 1HG2 THR 25 -4.554 4.643 0.408 172 HG22 THR 25 2HG2 THR 25 -3.408 5.866 -0.140 173 HG23 THR 25 3HG2 THR 25 -5.142 6.151 -0.291 174 H GLY 26 H GLY 26 -7.631 5.337 0.798 175 HA2 GLY 26 2HA GLY 26 -7.193 2.582 1.700 176 HA3 GLY 26 1HA GLY 26 -8.787 3.278 1.970 177 H GLY 27 H GLY 27 -7.769 1.053 0.190 178 HA2 GLY 27 2HA GLY 27 -9.500 1.531 -2.015 179 HA3 GLY 27 1HA GLY 27 -7.819 1.717 -2.510 180 H ALA 28 H ALA 28 -7.858 -0.102 -3.853 181 HA ALA 28 HA ALA 28 -7.736 -2.665 -2.405 182 HB1 ALA 28 1HB ALA 28 -9.521 -1.938 -4.677 183 HB2 ALA 28 2HB ALA 28 -9.801 -3.045 -3.332 184 HB3 ALA 28 3HB ALA 28 -8.796 -3.547 -4.691 185 H THR 29 H THR 29 -6.744 -4.394 -3.851 186 HA THR 29 HA THR 29 -4.811 -3.263 -5.765 187 HB THR 29 HB THR 29 -2.948 -4.228 -4.727 188 HG1 THR 29 1HG THR 29 -3.425 -6.222 -4.182 189 HG21 THR 29 1HG2 THR 29 -3.892 -2.309 -3.439 190 HG22 THR 29 2HG2 THR 29 -2.987 -3.434 -2.427 191 HG23 THR 29 3HG2 THR 29 -4.750 -3.459 -2.416 192 H TYR 30 H TYR 30 -3.976 -4.782 -7.276 193 HA TYR 30 HA TYR 30 -5.725 -7.134 -7.626 194 HB2 TYR 30 2HB TYR 30 -4.876 -5.096 -9.404 195 HB3 TYR 30 1HB TYR 30 -4.093 -6.588 -9.922 196 HD1 TYR 30 1HD TYR 30 -5.291 -7.849 -11.477 197 HD2 TYR 30 2HD TYR 30 -7.435 -5.565 -8.536 198 HE1 TYR 30 1HE TYR 30 -7.440 -8.634 -12.432 199 HE2 TYR 30 2HE TYR 30 -9.582 -6.351 -9.491 200 HH TYR 30 HH TYR 30 -10.327 -8.441 -10.864 201 H GLN 31 H GLN 31 -4.887 -9.068 -7.214 202 HA GLN 31 HA GLN 31 -1.964 -9.347 -7.045 203 HB2 GLN 31 2HB GLN 31 -3.715 -10.073 -5.211 204 HB3 GLN 31 1HB GLN 31 -3.866 -11.508 -6.227 205 HG2 GLN 31 2HG GLN 31 -1.266 -11.537 -6.180 206 HG3 GLN 31 1HG GLN 31 -1.432 -10.470 -4.786 207 HE21 GLN 31 1HE2 GLN 31 -0.858 -13.603 -5.361 208 HE22 GLN 31 2HE2 GLN 31 -1.725 -14.327 -4.094 209 H LEU 32 H LEU 32 -1.263 -9.694 -9.111 210 HA LEU 32 HA LEU 32 -2.622 -11.651 -10.800 211 HB2 LEU 32 2HB LEU 32 -0.163 -9.959 -11.313 212 HB3 LEU 32 1HB LEU 32 -0.982 -10.967 -12.506 213 HG LEU 32 HG LEU 32 -3.020 -9.413 -11.379 214 HD11 LEU 32 1HD1 LEU 32 -0.579 -7.718 -11.987 215 HD12 LEU 32 2HD1 LEU 32 -1.276 -7.961 -10.385 216 HD13 LEU 32 3HD1 LEU 32 -2.194 -7.109 -11.628 217 HD21 LEU 32 1HD2 LEU 32 -2.947 -10.031 -13.709 218 HD22 LEU 32 2HD2 LEU 32 -1.429 -9.166 -13.947 219 HD23 LEU 32 3HD2 LEU 32 -2.917 -8.269 -13.641 220 H SER 33 H SER 33 0.160 -11.372 -8.741 221 HA SER 33 HA SER 33 0.605 -14.137 -8.587 222 HB2 SER 33 2HB SER 33 1.760 -12.924 -10.914 223 HB3 SER 33 1HB SER 33 3.053 -13.433 -9.834 224 HG SER 33 HG SER 33 0.850 -15.105 -10.403 225 HA PRO 34 HA PRO 34 3.045 -12.765 -5.193 226 HB2 PRO 34 2HB PRO 34 4.943 -14.724 -4.964 227 HB3 PRO 34 1HB PRO 34 3.243 -14.955 -4.512 228 HG2 PRO 34 2HG PRO 34 4.681 -15.804 -6.974 229 HG3 PRO 34 1HG PRO 34 3.436 -16.653 -6.040 230 HD2 PRO 34 2HD PRO 34 2.905 -15.329 -8.382 231 HD3 PRO 34 1HD PRO 34 1.702 -15.549 -7.091 232 H TYR 35 H TYR 35 4.356 -12.888 -8.291 233 HA TYR 35 HA TYR 35 7.060 -12.116 -7.643 234 HB2 TYR 35 2HB TYR 35 5.787 -13.113 -9.901 235 HB3 TYR 35 1HB TYR 35 6.167 -11.445 -10.335 236 HD1 TYR 35 1HD TYR 35 7.709 -14.460 -8.723 237 HD2 TYR 35 2HD TYR 35 8.327 -10.910 -11.063 238 HE1 TYR 35 1HE TYR 35 10.087 -15.086 -9.045 239 HE2 TYR 35 2HE TYR 35 10.705 -11.536 -11.384 240 HH TYR 35 HH TYR 35 11.898 -14.570 -10.819 241 H ILE 36 H ILE 36 4.250 -10.441 -9.079 242 HA ILE 36 HA ILE 36 5.243 -7.930 -7.912 243 HB ILE 36 HB ILE 36 6.087 -7.741 -10.120 244 HG12 ILE 36 2HG1 ILE 36 3.370 -6.458 -10.393 245 HG13 ILE 36 1HG1 ILE 36 4.529 -5.873 -9.201 246 HG21 ILE 36 1HG2 ILE 36 4.005 -8.046 -11.912 247 HG22 ILE 36 2HG2 ILE 36 3.704 -9.338 -10.749 248 HG23 ILE 36 3HG2 ILE 36 5.252 -9.250 -11.590 249 HD11 ILE 36 1HD1 ILE 36 4.561 -4.751 -11.527 250 HD12 ILE 36 2HD1 ILE 36 5.306 -6.246 -12.092 251 HD13 ILE 36 3HD1 ILE 36 6.108 -5.274 -10.860 252 H MET 37 H MET 37 3.645 -6.404 -7.465 253 HA MET 37 HA MET 37 0.852 -7.230 -7.948 254 HB2 MET 37 2HB MET 37 1.896 -7.662 -5.546 255 HB3 MET 37 1HB MET 37 1.553 -5.943 -5.348 256 HG2 MET 37 2HG MET 37 -0.789 -6.623 -6.383 257 HG3 MET 37 1HG MET 37 -0.350 -8.217 -5.770 258 HE1 MET 37 1HE MET 37 -0.846 -8.856 -3.087 259 HE2 MET 37 2HE MET 37 0.230 -7.851 -2.119 260 HE3 MET 37 3HE MET 37 0.795 -8.516 -3.649 261 H VAL 38 H VAL 38 -0.645 -5.530 -8.096 262 HA VAL 38 HA VAL 38 0.583 -2.884 -8.567 263 HB VAL 38 HB VAL 38 -0.525 -3.933 -10.517 264 HG11 VAL 38 1HG1 VAL 38 -2.230 -5.141 -9.036 265 HG12 VAL 38 2HG1 VAL 38 -2.859 -4.423 -10.519 266 HG13 VAL 38 3HG1 VAL 38 -3.105 -3.612 -8.972 267 HG21 VAL 38 1HG2 VAL 38 -1.821 -1.992 -11.144 268 HG22 VAL 38 2HG2 VAL 38 -0.497 -1.432 -10.125 269 HG23 VAL 38 3HG2 VAL 38 -2.123 -1.584 -9.456 270 H LYS 39 H LYS 39 -0.016 -1.180 -7.372 271 HA LYS 39 HA LYS 39 -2.155 -1.586 -5.378 272 HB2 LYS 39 2HB LYS 39 0.294 -0.992 -4.737 273 HB3 LYS 39 1HB LYS 39 -0.130 0.633 -5.281 274 HG2 LYS 39 2HG LYS 39 -0.743 0.782 -3.051 275 HG3 LYS 39 1HG LYS 39 -2.262 0.223 -3.753 276 HD2 LYS 39 2HD LYS 39 -2.037 -1.321 -2.046 277 HD3 LYS 39 1HD LYS 39 -1.169 -2.168 -3.327 278 HE2 LYS 39 2HE LYS 39 0.963 -1.233 -2.498 279 HE3 LYS 39 1HE LYS 39 0.093 -0.404 -1.207 280 HZ1 LYS 39 1HZ LYS 39 0.539 -3.291 -1.586 281 HZ2 LYS 39 2HZ LYS 39 -0.792 -2.747 -0.682 282 HZ3 LYS 39 3HZ LYS 39 0.785 -2.344 -0.201 283 H ALA 40 H ALA 40 -3.909 -0.286 -5.334 284 HA ALA 40 HA ALA 40 -3.927 2.226 -6.818 285 HB1 ALA 40 1HB ALA 40 -6.130 0.284 -7.425 286 HB2 ALA 40 2HB ALA 40 -4.616 0.196 -8.326 287 HB3 ALA 40 3HB ALA 40 -5.577 1.673 -8.360 288 H GLY 41 H GLY 41 -5.124 3.708 -5.787 289 HA2 GLY 41 2HA GLY 41 -7.542 3.147 -4.396 290 HA3 GLY 41 1HA GLY 41 -6.208 3.317 -3.259 291 H TYR 42 H TYR 42 -7.464 5.186 -2.486 292 HA TYR 42 HA TYR 42 -6.722 7.605 -3.991 293 HB2 TYR 42 2HB TYR 42 -9.124 8.298 -2.812 294 HB3 TYR 42 1HB TYR 42 -8.889 7.926 -4.520 295 HD1 TYR 42 1HD TYR 42 -10.344 6.831 -1.386 296 HD2 TYR 42 2HD TYR 42 -9.197 5.547 -5.321 297 HE1 TYR 42 1HE TYR 42 -11.780 4.823 -1.148 298 HE2 TYR 42 2HE TYR 42 -10.633 3.538 -5.083 299 HH TYR 42 HH TYR 42 -11.631 2.188 -3.354 300 H GLY 43 H GLY 43 -5.788 9.107 -2.748 301 HA2 GLY 43 2HA GLY 43 -5.779 8.677 0.166 302 HA3 GLY 43 1HA GLY 43 -4.579 9.593 -0.742 303 H TRP 44 H TRP 44 -6.713 10.078 1.527 304 HA TRP 44 HA TRP 44 -7.910 12.523 0.387 305 HB2 TRP 44 2HB TRP 44 -8.616 10.805 2.764 306 HB3 TRP 44 1HB TRP 44 -9.265 12.433 2.565 307 HD1 TRP 44 HD TRP 44 -9.065 9.102 0.618 308 HE1 TRP 44 1HE TRP 44 -11.164 8.911 -0.866 309 HE3 TRP 44 3HE TRP 44 -11.233 13.628 1.569 310 HZ2 TRP 44 2HZ TRP 44 -13.459 10.472 -1.559 311 HZ3 TRP 44 3HZ TRP 44 -13.371 14.248 0.484 312 HH2 TRP 44 HH TRP 44 -14.488 12.679 -1.077 313 H ASN 45 H ASN 45 -7.293 14.488 1.074 314 HA ASN 45 HA ASN 45 -5.698 14.704 3.540 315 HB2 ASN 45 2HB ASN 45 -4.035 16.072 2.464 316 HB3 ASN 45 1HB ASN 45 -4.176 14.570 1.550 317 HD21 ASN 45 1HD2 ASN 45 -6.525 15.095 0.050 318 HD22 ASN 45 2HD2 ASN 45 -6.228 16.397 -0.998 319 H ASN 46 H ASN 46 -8.111 15.874 1.457 320 HA ASN 46 HA ASN 46 -8.682 18.069 3.284 321 HB2 ASN 46 2HB ASN 46 -7.284 18.561 0.883 322 HB3 ASN 46 1HB ASN 46 -8.941 19.097 0.608 323 HD21 ASN 46 1HD2 ASN 46 -6.588 19.241 3.356 324 HD22 ASN 46 2HD2 ASN 46 -6.894 20.873 3.710 325 H SER 47 H SER 47 -10.807 19.066 2.808 326 HA SER 47 HA SER 47 -12.655 17.021 1.787 327 HB2 SER 47 2HB SER 47 -14.386 18.358 2.970 328 HB3 SER 47 1HB SER 47 -13.104 17.803 4.044 329 HG SER 47 HG SER 47 -13.888 20.301 3.500 330 H SER 48 H SER 48 -11.425 18.123 -0.297 331 HA SER 48 HA SER 48 -13.564 19.463 -1.682 332 HB2 SER 48 2HB SER 48 -11.572 21.074 -0.425 333 HB3 SER 48 1HB SER 48 -11.328 21.162 -2.165 334 HG SER 48 HG SER 48 -13.121 22.246 -2.328 335 H LEU 49 H LEU 49 -10.109 18.635 -1.688 336 HA LEU 49 HA LEU 49 -10.278 18.056 -4.571 337 HB2 LEU 49 2HB LEU 49 -7.784 18.082 -2.870 338 HB3 LEU 49 1HB LEU 49 -7.904 18.196 -4.626 339 HG LEU 49 HG LEU 49 -8.851 20.261 -2.619 340 HD11 LEU 49 1HD1 LEU 49 -6.364 20.072 -3.149 341 HD12 LEU 49 2HD1 LEU 49 -7.096 21.639 -3.493 342 HD13 LEU 49 3HD1 LEU 49 -6.775 20.509 -4.807 343 HD21 LEU 49 1HD2 LEU 49 -10.423 20.432 -4.351 344 HD22 LEU 49 2HD2 LEU 49 -9.262 19.935 -5.583 345 HD23 LEU 49 3HD2 LEU 49 -9.168 21.551 -4.884 346 H ASN 50 H ASN 50 -8.149 16.245 -4.709 347 HA ASN 50 HA ASN 50 -8.647 14.002 -2.961 348 HB2 ASN 50 2HB ASN 50 -10.350 14.258 -5.150 349 HB3 ASN 50 1HB ASN 50 -9.132 13.101 -5.684 350 HD21 ASN 50 1HD2 ASN 50 -10.122 11.080 -5.392 351 HD22 ASN 50 2HD2 ASN 50 -10.845 10.572 -3.944 352 H ARG 51 H ARG 51 -7.296 12.123 -3.553 353 HA ARG 51 HA ARG 51 -5.023 12.825 -5.302 354 HB2 ARG 51 2HB ARG 51 -4.937 12.723 -2.481 355 HB3 ARG 51 1HB ARG 51 -4.131 11.264 -3.057 356 HG2 ARG 51 2HG ARG 51 -2.713 12.626 -4.546 357 HG3 ARG 51 1HG ARG 51 -3.521 14.088 -3.978 358 HD2 ARG 51 2HD ARG 51 -2.560 12.449 -1.767 359 HD3 ARG 51 1HD ARG 51 -1.254 12.920 -2.850 360 HE ARG 51 HE ARG 51 -2.782 15.208 -2.378 361 HH11 ARG 51 1HH1 ARG 51 -2.135 16.701 -0.792 362 HH12 ARG 51 2HH1 ARG 51 -1.089 16.194 0.492 363 HH21 ARG 51 1HH2 ARG 51 -0.865 12.920 -0.626 364 HH22 ARG 51 2HH2 ARG 51 -0.369 14.053 0.586 365 H PHE 52 H PHE 52 -4.548 11.259 -6.705 366 HA PHE 52 HA PHE 52 -5.733 8.595 -6.278 367 HB2 PHE 52 2HB PHE 52 -5.871 10.220 -8.465 368 HB3 PHE 52 1HB PHE 52 -4.492 9.203 -8.883 369 HD1 PHE 52 1HD PHE 52 -7.996 9.006 -7.577 370 HD2 PHE 52 2HD PHE 52 -4.840 7.039 -9.728 371 HE1 PHE 52 1HE PHE 52 -9.538 7.146 -8.137 372 HE2 PHE 52 2HE PHE 52 -6.382 5.181 -10.289 373 HZ PHE 52 HZ PHE 52 -8.729 5.233 -9.493 374 H GLU 53 H GLU 53 -4.400 7.123 -5.450 375 HA GLU 53 HA GLU 53 -1.508 7.389 -5.847 376 HB2 GLU 53 2HB GLU 53 -2.266 7.016 -3.562 377 HB3 GLU 53 1HB GLU 53 -3.123 5.556 -4.059 378 HG2 GLU 53 2HG GLU 53 -1.213 4.317 -4.186 379 HG3 GLU 53 1HG GLU 53 -0.264 5.663 -4.814 380 H PHE 54 H PHE 54 -0.497 6.276 -7.377 381 HA PHE 54 HA PHE 54 -1.501 3.619 -8.134 382 HB2 PHE 54 2HB PHE 54 -2.494 4.959 -9.829 383 HB3 PHE 54 1HB PHE 54 -1.034 5.931 -10.018 384 HD1 PHE 54 1HD PHE 54 0.310 5.445 -11.864 385 HD2 PHE 54 2HD PHE 54 -2.014 2.302 -10.077 386 HE1 PHE 54 1HE PHE 54 1.138 3.857 -13.577 387 HE2 PHE 54 2HE PHE 54 -1.185 0.715 -11.793 388 HZ PHE 54 HZ PHE 54 0.392 1.492 -13.542 389 H GLY 55 H GLY 55 0.106 2.186 -8.215 390 HA2 GLY 55 2HA GLY 55 2.678 2.721 -9.305 391 HA3 GLY 55 1HA GLY 55 2.745 2.735 -7.545 392 H GLY 56 H GLY 56 4.073 0.870 -7.533 393 HA2 GLY 56 2HA GLY 56 2.558 -1.631 -7.897 394 HA3 GLY 56 1HA GLY 56 4.158 -1.482 -8.619 395 H GLY 57 H GLY 57 3.682 -3.487 -6.820 396 HA2 GLY 57 2HA GLY 57 5.237 -2.609 -4.458 397 HA3 GLY 57 1HA GLY 57 3.893 -3.738 -4.314 398 H LEU 58 H LEU 58 6.610 -4.237 -3.531 399 HA LEU 58 HA LEU 58 7.183 -6.540 -5.286 400 HB2 LEU 58 2HB LEU 58 8.770 -4.601 -5.682 401 HB3 LEU 58 1HB LEU 58 9.336 -4.838 -4.028 402 HG LEU 58 HG LEU 58 9.357 -7.407 -5.091 403 HD11 LEU 58 1HD1 LEU 58 9.003 -6.288 -7.341 404 HD12 LEU 58 2HD1 LEU 58 10.460 -7.277 -7.227 405 HD13 LEU 58 3HD1 LEU 58 10.576 -5.519 -7.124 406 HD21 LEU 58 1HD2 LEU 58 11.825 -7.105 -5.044 407 HD22 LEU 58 2HD2 LEU 58 11.055 -6.420 -3.612 408 HD23 LEU 58 3HD2 LEU 58 11.594 -5.360 -4.915 409 H GLN 59 H GLN 59 7.638 -8.406 -4.245 410 HA GLN 59 HA GLN 59 8.324 -8.369 -1.401 411 HB2 GLN 59 2HB GLN 59 6.401 -10.368 -1.521 412 HB3 GLN 59 1HB GLN 59 6.203 -8.782 -0.775 413 HG2 GLN 59 2HG GLN 59 5.301 -7.859 -2.818 414 HG3 GLN 59 1HG GLN 59 5.672 -9.336 -3.705 415 HE21 GLN 59 1HE2 GLN 59 3.515 -9.978 -4.219 416 HE22 GLN 59 2HE2 GLN 59 2.361 -10.365 -3.035 417 H TYR 60 H TYR 60 8.871 -10.577 -0.612 418 HA TYR 60 HA TYR 60 9.959 -12.253 -2.799 419 HB2 TYR 60 2HB TYR 60 11.366 -10.908 -0.788 420 HB3 TYR 60 1HB TYR 60 11.316 -12.591 -0.261 421 HD1 TYR 60 1HD TYR 60 12.739 -10.230 -2.607 422 HD2 TYR 60 2HD TYR 60 12.062 -14.407 -1.868 423 HE1 TYR 60 1HE TYR 60 14.477 -10.808 -4.278 424 HE2 TYR 60 2HE TYR 60 13.801 -14.985 -3.539 425 HH TYR 60 HH TYR 60 14.790 -13.350 -5.800 426 H LYS 61 H LYS 61 10.283 -14.541 -2.181 427 HA LYS 61 HA LYS 61 8.205 -15.465 -0.282 428 HB2 LYS 61 2HB LYS 61 7.667 -15.845 -2.713 429 HB3 LYS 61 1HB LYS 61 9.086 -16.889 -2.800 430 HG2 LYS 61 2HG LYS 61 8.148 -18.298 -0.990 431 HG3 LYS 61 1HG LYS 61 6.714 -17.272 -0.949 432 HD2 LYS 61 2HD LYS 61 7.097 -17.977 -3.660 433 HD3 LYS 61 1HD LYS 61 7.312 -19.461 -2.730 434 HE2 LYS 61 2HE LYS 61 4.941 -19.137 -3.329 435 HE3 LYS 61 1HE LYS 61 5.166 -19.057 -1.582 436 HZ1 LYS 61 1HZ LYS 61 5.098 -16.692 -1.657 437 HZ2 LYS 61 2HZ LYS 61 3.745 -17.270 -2.508 438 HZ3 LYS 61 3HZ LYS 61 5.096 -16.679 -3.353 439 H VAL 62 H VAL 62 9.231 -16.210 1.466 440 HA VAL 62 HA VAL 62 11.349 -18.209 1.085 441 HB VAL 62 HB VAL 62 11.624 -15.982 3.107 442 HG11 VAL 62 1HG1 VAL 62 13.952 -16.804 3.191 443 HG12 VAL 62 2HG1 VAL 62 13.556 -18.041 1.997 444 HG13 VAL 62 3HG1 VAL 62 12.811 -18.087 3.596 445 HG21 VAL 62 1HG2 VAL 62 13.355 -15.075 1.550 446 HG22 VAL 62 2HG2 VAL 62 11.728 -14.995 0.871 447 HG23 VAL 62 3HG2 VAL 62 12.845 -16.253 0.341 448 H THR 63 H THR 63 8.963 -16.665 3.162 449 HA THR 63 HA THR 63 8.727 -19.188 4.670 450 HB THR 63 HB THR 63 9.214 -18.165 6.613 451 HG1 THR 63 1HG THR 63 7.674 -15.907 5.937 452 HG21 THR 63 1HG2 THR 63 9.666 -15.689 4.929 453 HG22 THR 63 2HG2 THR 63 10.846 -16.976 5.177 454 HG23 THR 63 3HG2 THR 63 10.321 -15.985 6.538 455 HA PRO 64 HA PRO 64 4.356 -19.212 4.215 456 HB2 PRO 64 2HB PRO 64 4.026 -18.184 7.013 457 HB3 PRO 64 1HB PRO 64 3.217 -19.544 6.210 458 HG2 PRO 64 2HG PRO 64 5.205 -19.937 7.934 459 HG3 PRO 64 1HG PRO 64 5.003 -20.956 6.498 460 HD2 PRO 64 2HD PRO 64 7.054 -18.884 7.053 461 HD3 PRO 64 1HD PRO 64 7.138 -20.293 5.972 462 H ASP 65 H ASP 65 5.981 -16.363 5.243 463 HA ASP 65 HA ASP 65 4.872 -14.543 3.586 464 HB2 ASP 65 2HB ASP 65 2.963 -15.137 5.769 465 HB3 ASP 65 1HB ASP 65 3.263 -13.429 5.476 466 H LEU 66 H LEU 66 7.132 -14.063 4.027 467 HA LEU 66 HA LEU 66 7.375 -11.899 5.937 468 HB2 LEU 66 2HB LEU 66 8.095 -14.401 6.855 469 HB3 LEU 66 1HB LEU 66 9.621 -13.766 6.247 470 HG LEU 66 HG LEU 66 8.973 -11.603 7.568 471 HD11 LEU 66 1HD1 LEU 66 6.677 -12.258 8.126 472 HD12 LEU 66 2HD1 LEU 66 7.628 -12.133 9.604 473 HD13 LEU 66 3HD1 LEU 66 7.263 -13.717 8.924 474 HD21 LEU 66 1HD2 LEU 66 9.981 -14.220 8.646 475 HD22 LEU 66 2HD2 LEU 66 9.807 -12.841 9.731 476 HD23 LEU 66 3HD2 LEU 66 10.872 -12.731 8.329 477 H GLU 67 H GLU 67 8.044 -10.419 4.486 478 HA GLU 67 HA GLU 67 10.654 -10.694 3.319 479 HB2 GLU 67 2HB GLU 67 9.727 -10.318 0.947 480 HB3 GLU 67 1HB GLU 67 9.601 -11.947 1.608 481 HG2 GLU 67 2HG GLU 67 7.364 -9.971 1.992 482 HG3 GLU 67 1HG GLU 67 7.496 -10.884 0.491 483 HA PRO 68 HA PRO 68 10.393 -6.286 3.687 484 HB2 PRO 68 2HB PRO 68 11.945 -5.501 1.516 485 HB3 PRO 68 1HB PRO 68 12.580 -5.973 3.103 486 HG2 PRO 68 2HG PRO 68 12.402 -7.542 0.590 487 HG3 PRO 68 1HG PRO 68 13.648 -7.555 1.850 488 HD2 PRO 68 2HD PRO 68 11.788 -9.523 1.635 489 HD3 PRO 68 1HD PRO 68 12.462 -9.024 3.201 490 H TYR 69 H TYR 69 9.412 -4.420 2.711 491 HA TYR 69 HA TYR 69 7.782 -5.040 0.316 492 HB2 TYR 69 2HB TYR 69 6.573 -4.785 2.553 493 HB3 TYR 69 1HB TYR 69 7.021 -3.080 2.477 494 HD1 TYR 69 1HD TYR 69 5.350 -5.785 0.505 495 HD2 TYR 69 2HD TYR 69 5.736 -1.566 1.214 496 HE1 TYR 69 1HE TYR 69 3.452 -5.352 -1.031 497 HE2 TYR 69 2HE TYR 69 3.838 -1.134 -0.322 498 HH TYR 69 HH TYR 69 1.822 -3.675 -1.510 499 H ALA 70 H ALA 70 7.928 -3.712 -1.372 500 HA ALA 70 HA ALA 70 9.341 -1.131 -1.015 501 HB1 ALA 70 1HB ALA 70 10.611 -1.497 -2.895 502 HB2 ALA 70 2HB ALA 70 9.390 -2.523 -3.651 503 HB3 ALA 70 3HB ALA 70 10.412 -3.168 -2.366 504 H TRP 71 H TRP 71 8.480 0.648 -2.004 505 HA TRP 71 HA TRP 71 6.021 0.260 -3.601 506 HB2 TRP 71 2HB TRP 71 5.264 0.922 -1.422 507 HB3 TRP 71 1HB TRP 71 6.477 2.198 -1.326 508 HD1 TRP 71 HD TRP 71 3.855 1.277 -4.030 509 HE1 TRP 71 1HE TRP 71 2.586 3.427 -4.672 510 HE3 TRP 71 3HE TRP 71 6.108 4.605 -0.881 511 HZ2 TRP 71 2HZ TRP 71 2.534 6.193 -3.946 512 HZ3 TRP 71 3HZ TRP 71 5.431 6.989 -0.877 513 HH2 TRP 71 HH TRP 71 3.649 7.786 -2.405 514 H ALA 72 H ALA 72 5.908 1.431 -5.423 515 HA ALA 72 HA ALA 72 7.551 3.830 -5.738 516 HB1 ALA 72 1HB ALA 72 8.249 2.837 -8.051 517 HB2 ALA 72 2HB ALA 72 7.931 1.283 -7.278 518 HB3 ALA 72 3HB ALA 72 9.146 2.369 -6.605 519 H GLY 73 H GLY 73 6.431 5.352 -6.781 520 HA2 GLY 73 2HA GLY 73 4.932 5.105 -9.088 521 HA3 GLY 73 1HA GLY 73 3.799 4.836 -7.766 522 H ALA 74 H ALA 74 2.753 6.801 -8.571 523 HA ALA 74 HA ALA 74 3.853 9.167 -7.240 524 HB1 ALA 74 1HB ALA 74 3.746 10.578 -9.125 525 HB2 ALA 74 2HB ALA 74 2.824 9.400 -10.061 526 HB3 ALA 74 3HB ALA 74 4.531 9.116 -9.721 527 H THR 75 H THR 75 2.256 10.836 -6.891 528 HA THR 75 HA THR 75 -0.467 9.720 -6.743 529 HB THR 75 HB THR 75 -0.330 12.161 -5.334 530 HG1 THR 75 1HG THR 75 1.490 11.083 -3.917 531 HG21 THR 75 1HG2 THR 75 -0.552 10.622 -3.365 532 HG22 THR 75 2HG2 THR 75 -0.240 9.266 -4.449 533 HG23 THR 75 3HG2 THR 75 -1.681 10.260 -4.673 534 H TYR 76 H TYR 76 -1.935 10.409 -8.150 535 HA TYR 76 HA TYR 76 -1.427 12.893 -9.641 536 HB2 TYR 76 2HB TYR 76 -2.497 10.320 -10.331 537 HB3 TYR 76 1HB TYR 76 -3.708 11.561 -10.652 538 HD1 TYR 76 1HD TYR 76 -3.202 13.456 -12.171 539 HD2 TYR 76 2HD TYR 76 -0.431 10.228 -11.577 540 HE1 TYR 76 1HE TYR 76 -1.957 14.151 -14.200 541 HE2 TYR 76 2HE TYR 76 0.814 10.923 -13.606 542 HH TYR 76 HH TYR 76 -0.058 13.867 -15.377 543 H ASN 77 H ASN 77 -2.291 14.627 -8.673 544 HA ASN 77 HA ASN 77 -4.696 14.430 -7.069 545 HB2 ASN 77 2HB ASN 77 -3.416 17.018 -7.890 546 HB3 ASN 77 1HB ASN 77 -4.247 16.617 -6.389 547 HD21 ASN 77 1HD2 ASN 77 -1.689 17.766 -6.222 548 HD22 ASN 77 2HD2 ASN 77 -0.578 16.597 -5.696 549 H THR 78 H THR 78 -6.664 15.476 -7.500 550 HA THR 78 HA THR 78 -7.756 15.234 -10.009 551 HB THR 78 HB THR 78 -9.072 15.615 -7.951 552 HG1 THR 78 1HG THR 78 -10.022 16.014 -9.975 553 HG21 THR 78 1HG2 THR 78 -8.299 18.524 -8.270 554 HG22 THR 78 2HG2 THR 78 -7.536 17.441 -7.104 555 HG23 THR 78 3HG2 THR 78 -9.258 17.804 -6.976 556 H ASP 79 H ASP 79 -5.710 17.757 -8.803 557 HA ASP 79 HA ASP 79 -6.372 19.645 -10.897 558 HB2 ASP 79 2HB ASP 79 -4.007 19.677 -9.012 559 HB3 ASP 79 1HB ASP 79 -4.657 21.035 -9.928 560 H ASN 80 H ASN 80 -5.432 16.935 -11.637 561 HA ASN 80 HA ASN 80 -3.923 15.904 -13.045 562 HB2 ASN 80 2HB ASN 80 -5.084 17.578 -14.523 563 HB3 ASN 80 1HB ASN 80 -3.728 18.671 -14.249 564 HD21 ASN 80 1HD2 ASN 80 -2.114 18.515 -15.803 565 HD22 ASN 80 2HD2 ASN 80 -1.787 17.133 -16.733 566 H THR 81 H THR 81 -2.805 16.965 -10.598 567 HA THR 81 HA THR 81 -0.138 17.878 -11.451 568 HB THR 81 HB THR 81 -1.249 17.725 -8.644 569 HG1 THR 81 1HG THR 81 -1.569 19.554 -10.694 570 HG21 THR 81 1HG2 THR 81 1.108 19.172 -9.883 571 HG22 THR 81 2HG2 THR 81 1.186 17.812 -8.762 572 HG23 THR 81 3HG2 THR 81 0.570 19.371 -8.214 573 H LEU 82 H LEU 82 1.561 16.548 -11.403 574 HA LEU 82 HA LEU 82 1.200 13.877 -10.209 575 HB2 LEU 82 2HB LEU 82 3.373 13.473 -11.605 576 HB3 LEU 82 1HB LEU 82 1.819 13.561 -12.434 577 HG LEU 82 HG LEU 82 3.258 16.133 -12.020 578 HD11 LEU 82 1HD1 LEU 82 4.131 14.036 -14.030 579 HD12 LEU 82 2HD1 LEU 82 5.100 14.677 -12.704 580 HD13 LEU 82 3HD1 LEU 82 4.644 15.722 -14.050 581 HD21 LEU 82 1HD2 LEU 82 2.038 15.069 -14.558 582 HD22 LEU 82 2HD2 LEU 82 2.136 16.735 -13.993 583 HD23 LEU 82 3HD2 LEU 82 0.999 15.616 -13.242 584 H VAL 83 H VAL 83 2.520 13.131 -8.620 585 HA VAL 83 HA VAL 83 4.849 14.743 -7.832 586 HB VAL 83 HB VAL 83 4.007 14.303 -5.397 587 HG11 VAL 83 1HG1 VAL 83 4.294 16.539 -6.167 588 HG12 VAL 83 2HG1 VAL 83 2.630 16.460 -5.585 589 HG13 VAL 83 3HG1 VAL 83 2.963 16.392 -7.316 590 HG21 VAL 83 1HG2 VAL 83 1.700 14.018 -5.100 591 HG22 VAL 83 2HG2 VAL 83 2.025 12.960 -6.473 592 HG23 VAL 83 3HG2 VAL 83 1.325 14.557 -6.736 593 HA PRO 84 HA PRO 84 5.802 10.190 -8.060 594 HB2 PRO 84 2HB PRO 84 8.521 11.412 -8.140 595 HB3 PRO 84 1HB PRO 84 7.833 10.120 -9.143 596 HG2 PRO 84 2HG PRO 84 8.174 12.592 -10.081 597 HG3 PRO 84 1HG PRO 84 6.795 11.588 -10.563 598 HD2 PRO 84 2HD PRO 84 6.862 13.932 -8.717 599 HD3 PRO 84 1HD PRO 84 5.553 13.365 -9.777 600 H ALA 85 H ALA 85 6.761 8.830 -6.490 601 HA ALA 85 HA ALA 85 8.211 9.906 -4.247 602 HB1 ALA 85 1HB ALA 85 6.204 8.761 -2.790 603 HB2 ALA 85 2HB ALA 85 5.295 9.526 -4.093 604 HB3 ALA 85 3HB ALA 85 6.363 10.494 -3.078 605 H ALA 86 H ALA 86 9.119 8.290 -2.942 606 HA ALA 86 HA ALA 86 8.493 5.496 -3.552 607 HB1 ALA 86 1HB ALA 86 10.205 5.406 -5.031 608 HB2 ALA 86 2HB ALA 86 11.226 5.397 -3.594 609 HB3 ALA 86 3HB ALA 86 10.917 6.909 -4.446 610 H GLY 87 H GLY 87 8.888 4.127 -1.864 611 HA2 GLY 87 2HA GLY 87 10.508 5.020 0.397 612 HA3 GLY 87 1HA GLY 87 8.793 4.775 0.713 613 H ALA 88 H ALA 88 9.975 3.201 2.254 614 HA ALA 88 HA ALA 88 9.926 0.555 0.973 615 HB1 ALA 88 1HB ALA 88 12.126 1.581 2.779 616 HB2 ALA 88 2HB ALA 88 12.284 1.072 1.098 617 HB3 ALA 88 3HB ALA 88 11.911 -0.115 2.347 618 H GLY 89 H GLY 89 9.592 -1.199 2.512 619 HA2 GLY 89 2HA GLY 89 8.821 -0.534 5.226 620 HA3 GLY 89 1HA GLY 89 7.478 -0.981 4.178 621 H PHE 90 H PHE 90 7.352 -2.707 5.898 622 HA PHE 90 HA PHE 90 8.903 -5.050 5.002 623 HB2 PHE 90 2HB PHE 90 8.191 -4.803 7.893 624 HB3 PHE 90 1HB PHE 90 9.526 -5.672 7.135 625 HD1 PHE 90 1HD PHE 90 8.260 -2.287 8.018 626 HD2 PHE 90 2HD PHE 90 11.637 -4.625 6.762 627 HE1 PHE 90 1HE PHE 90 9.752 -0.346 8.417 628 HE2 PHE 90 2HE PHE 90 13.129 -2.684 7.162 629 HZ PHE 90 HZ PHE 90 12.186 -0.546 7.990 630 H ARG 91 H ARG 91 7.774 -6.948 4.905 631 HA ARG 91 HA ARG 91 4.869 -6.738 5.362 632 HB2 ARG 91 2HB ARG 91 5.964 -7.394 3.077 633 HB3 ARG 91 1HB ARG 91 6.168 -8.972 3.839 634 HG2 ARG 91 2HG ARG 91 3.703 -8.893 4.427 635 HG3 ARG 91 1HG ARG 91 3.579 -7.466 3.398 636 HD2 ARG 91 2HD ARG 91 4.331 -8.726 1.466 637 HD3 ARG 91 1HD ARG 91 4.654 -10.138 2.466 638 HE ARG 91 HE ARG 91 1.927 -9.316 2.696 639 HH11 ARG 91 1HH1 ARG 91 0.368 -10.614 1.673 640 HH12 ARG 91 2HH1 ARG 91 0.854 -11.735 0.444 641 HH21 ARG 91 1HH2 ARG 91 4.216 -10.911 0.650 642 HH22 ARG 91 2HH2 ARG 91 3.032 -11.904 -0.134 643 H TYR 92 H TYR 92 4.294 -7.482 7.298 644 HA TYR 92 HA TYR 92 5.407 -10.073 8.193 645 HB2 TYR 92 2HB TYR 92 6.080 -7.808 9.433 646 HB3 TYR 92 1HB TYR 92 4.529 -8.080 10.225 647 HD1 TYR 92 1HD TYR 92 4.121 -10.640 10.936 648 HD2 TYR 92 2HD TYR 92 7.964 -8.791 10.404 649 HE1 TYR 92 1HE TYR 92 5.155 -12.368 12.385 650 HE2 TYR 92 2HE TYR 92 8.994 -10.519 11.852 651 HH TYR 92 HH TYR 92 7.356 -12.415 13.902 652 H LYS 93 H LYS 93 3.867 -11.564 8.355 653 HA LYS 93 HA LYS 93 1.064 -10.735 8.476 654 HB2 LYS 93 2HB LYS 93 1.625 -12.405 6.810 655 HB3 LYS 93 1HB LYS 93 2.351 -13.437 8.039 656 HG2 LYS 93 2HG LYS 93 -0.417 -12.607 8.635 657 HG3 LYS 93 1HG LYS 93 -0.261 -13.615 7.199 658 HD2 LYS 93 2HD LYS 93 1.141 -14.415 9.742 659 HD3 LYS 93 1HD LYS 93 -0.576 -14.758 9.535 660 HE2 LYS 93 2HE LYS 93 -0.088 -15.942 7.422 661 HE3 LYS 93 1HE LYS 93 1.632 -15.621 7.642 662 HZ1 LYS 93 1HZ LYS 93 1.800 -17.314 9.040 663 HZ2 LYS 93 2HZ LYS 93 0.212 -17.759 8.629 664 HZ3 LYS 93 3HZ LYS 93 0.499 -16.768 9.979 665 H VAL 94 H VAL 94 -0.065 -10.733 10.305 666 HA VAL 94 HA VAL 94 1.096 -12.016 12.682 667 HB VAL 94 HB VAL 94 -0.558 -10.633 13.927 668 HG11 VAL 94 1HG1 VAL 94 1.440 -9.423 12.035 669 HG12 VAL 94 2HG1 VAL 94 1.520 -9.578 13.790 670 HG13 VAL 94 3HG1 VAL 94 0.463 -8.370 13.059 671 HG21 VAL 94 1HG2 VAL 94 -1.242 -8.762 11.903 672 HG22 VAL 94 2HG2 VAL 94 -2.334 -9.816 12.804 673 HG23 VAL 94 3HG2 VAL 94 -1.647 -10.360 11.273 674 H SER 95 H SER 95 -1.602 -12.164 10.496 675 HA SER 95 HA SER 95 -2.472 -14.653 11.735 676 HB2 SER 95 2HB SER 95 -3.842 -12.195 12.220 677 HB3 SER 95 1HB SER 95 -4.860 -13.197 11.189 678 HG SER 95 HG SER 95 -3.995 -14.884 12.869 679 HA PRO 96 HA PRO 96 -3.317 -15.751 7.561 680 HB2 PRO 96 2HB PRO 96 -5.558 -17.312 7.772 681 HB3 PRO 96 1HB PRO 96 -3.944 -17.844 8.278 682 HG2 PRO 96 2HG PRO 96 -6.207 -16.834 9.922 683 HG3 PRO 96 1HG PRO 96 -5.047 -18.128 10.268 684 HD2 PRO 96 2HD PRO 96 -4.855 -15.617 11.353 685 HD3 PRO 96 1HD PRO 96 -3.447 -16.665 11.064 686 H GLU 97 H GLU 97 -5.974 -14.333 9.367 687 HA GLU 97 HA GLU 97 -7.291 -13.508 6.861 688 HB2 GLU 97 2HB GLU 97 -8.278 -13.539 9.722 689 HB3 GLU 97 1HB GLU 97 -9.201 -12.911 8.356 690 HG2 GLU 97 2HG GLU 97 -8.912 -15.170 7.250 691 HG3 GLU 97 1HG GLU 97 -8.245 -15.753 8.774 692 H VAL 98 H VAL 98 -5.090 -12.376 9.076 693 HA VAL 98 HA VAL 98 -5.736 -9.578 8.392 694 HB VAL 98 HB VAL 98 -4.571 -10.283 11.070 695 HG11 VAL 98 1HG1 VAL 98 -6.390 -8.010 10.248 696 HG12 VAL 98 2HG1 VAL 98 -4.639 -7.927 10.059 697 HG13 VAL 98 3HG1 VAL 98 -5.344 -8.107 11.664 698 HG21 VAL 98 1HG2 VAL 98 -7.483 -10.297 10.237 699 HG22 VAL 98 2HG2 VAL 98 -6.976 -10.063 11.910 700 HG23 VAL 98 3HG2 VAL 98 -6.591 -11.568 11.074 701 H LYS 99 H LYS 99 -4.085 -8.554 7.480 702 HA LYS 99 HA LYS 99 -1.364 -9.668 7.822 703 HB2 LYS 99 2HB LYS 99 -2.289 -7.995 5.491 704 HB3 LYS 99 1HB LYS 99 -0.855 -9.014 5.603 705 HG2 LYS 99 2HG LYS 99 -2.891 -10.796 6.147 706 HG3 LYS 99 1HG LYS 99 -3.617 -9.749 4.929 707 HD2 LYS 99 2HD LYS 99 -1.645 -10.099 3.468 708 HD3 LYS 99 1HD LYS 99 -0.956 -11.184 4.678 709 HE2 LYS 99 2HE LYS 99 -3.573 -12.115 4.281 710 HE3 LYS 99 1HE LYS 99 -2.976 -11.735 2.666 711 HZ1 LYS 99 1HZ LYS 99 -2.437 -14.001 4.034 712 HZ2 LYS 99 2HZ LYS 99 -1.047 -13.072 4.330 713 HZ3 LYS 99 3HZ LYS 99 -1.524 -13.407 2.735 714 H LEU 100 H LEU 100 0.152 -8.381 8.676 715 HA LEU 100 HA LEU 100 -0.559 -5.569 9.190 716 HB2 LEU 100 2HB LEU 100 0.543 -7.579 10.822 717 HB3 LEU 100 1HB LEU 100 1.870 -6.469 10.488 718 HG LEU 100 HG LEU 100 0.683 -5.742 12.494 719 HD11 LEU 100 1HD1 LEU 100 -0.388 -3.727 10.629 720 HD12 LEU 100 2HD1 LEU 100 1.301 -4.151 10.349 721 HD13 LEU 100 3HD1 LEU 100 0.793 -3.548 11.927 722 HD21 LEU 100 1HD2 LEU 100 -1.598 -6.605 11.022 723 HD22 LEU 100 2HD2 LEU 100 -1.808 -4.886 11.358 724 HD23 LEU 100 3HD2 LEU 100 -1.541 -6.017 12.684 725 H VAL 101 H VAL 101 0.602 -3.917 8.360 726 HA VAL 101 HA VAL 101 3.147 -4.522 7.003 727 HB VAL 101 HB VAL 101 1.085 -2.714 5.755 728 HG11 VAL 101 1HG1 VAL 101 3.498 -2.570 5.083 729 HG12 VAL 101 2HG1 VAL 101 2.435 -3.057 3.764 730 HG13 VAL 101 3HG1 VAL 101 3.419 -4.263 4.593 731 HG21 VAL 101 1HG2 VAL 101 1.411 -5.707 5.552 732 HG22 VAL 101 2HG2 VAL 101 0.759 -4.774 4.205 733 HG23 VAL 101 3HG2 VAL 101 -0.071 -4.775 5.761 734 H VAL 102 H VAL 102 4.586 -2.761 6.857 735 HA VAL 102 HA VAL 102 3.823 -0.242 8.105 736 HB VAL 102 HB VAL 102 6.153 -1.911 9.090 737 HG11 VAL 102 1HG1 VAL 102 6.709 0.433 9.173 738 HG12 VAL 102 2HG1 VAL 102 6.261 -0.053 10.807 739 HG13 VAL 102 3HG1 VAL 102 5.118 0.844 9.809 740 HG21 VAL 102 1HG2 VAL 102 4.787 -1.761 11.259 741 HG22 VAL 102 2HG2 VAL 102 4.160 -2.842 10.015 742 HG23 VAL 102 3HG2 VAL 102 3.435 -1.252 10.246 743 H GLU 103 H GLU 103 4.333 1.100 6.541 744 HA GLU 103 HA GLU 103 7.040 0.977 5.380 745 HB2 GLU 103 2HB GLU 103 6.172 1.494 3.173 746 HB3 GLU 103 1HB GLU 103 5.396 0.026 3.770 747 HG2 GLU 103 2HG GLU 103 3.513 1.518 4.619 748 HG3 GLU 103 1HG GLU 103 4.243 2.820 3.681 749 H TYR 104 H TYR 104 7.885 2.979 4.667 750 HA TYR 104 HA TYR 104 6.424 5.371 5.604 751 HB2 TYR 104 2HB TYR 104 8.733 6.260 6.251 752 HB3 TYR 104 1HB TYR 104 8.044 5.022 7.300 753 HD1 TYR 104 1HD TYR 104 8.990 2.806 7.430 754 HD2 TYR 104 2HD TYR 104 10.527 5.683 4.635 755 HE1 TYR 104 1HE TYR 104 10.957 1.353 7.014 756 HE2 TYR 104 2HE TYR 104 12.494 4.231 4.221 757 HH TYR 104 HH TYR 104 12.997 1.248 6.072 758 H GLY 105 H GLY 105 6.411 7.046 4.217 759 HA2 GLY 105 2HA GLY 105 7.489 6.674 1.569 760 HA3 GLY 105 1HA GLY 105 6.570 8.065 2.139 761 H TRP 106 H TRP 106 9.062 7.931 0.540 762 HA TRP 106 HA TRP 106 10.592 9.853 2.125 763 HB2 TRP 106 2HB TRP 106 11.448 7.284 2.181 764 HB3 TRP 106 1HB TRP 106 12.270 7.855 0.728 765 HD1 TRP 106 HD TRP 106 11.973 8.576 4.481 766 HE1 TRP 106 1HE TRP 106 14.037 9.931 5.224 767 HE3 TRP 106 3HE TRP 106 14.158 9.411 -0.059 768 HZ2 TRP 106 2HZ TRP 106 16.316 11.199 4.046 769 HZ3 TRP 106 3HZ TRP 106 16.272 10.694 -0.220 770 HH2 TRP 106 HH TRP 106 17.353 11.588 1.825 771 H ASN 107 H ASN 107 11.846 11.266 0.872 772 HA ASN 107 HA ASN 107 11.612 10.993 -2.055 773 HB2 ASN 107 2HB ASN 107 10.954 13.463 -0.436 774 HB3 ASN 107 1HB ASN 107 11.099 13.425 -2.192 775 HD21 ASN 107 1HD2 ASN 107 8.631 14.186 -1.191 776 HD22 ASN 107 2HD2 ASN 107 7.499 12.939 -1.401 777 H ASN 108 H ASN 108 13.074 12.568 -3.193 778 HA ASN 108 HA ASN 108 15.725 12.223 -2.447 779 HB2 ASN 108 2HB ASN 108 15.138 12.845 -4.710 780 HB3 ASN 108 1HB ASN 108 14.481 14.385 -4.160 781 HD21 ASN 108 1HD2 ASN 108 16.075 15.961 -3.211 782 HD22 ASN 108 2HD2 ASN 108 17.698 15.885 -3.703 783 H SER 109 H SER 109 16.310 12.775 -0.397 784 HA SER 109 HA SER 109 16.683 14.085 1.472 785 HB2 SER 109 2HB SER 109 17.939 16.087 0.991 786 HB3 SER 109 1HB SER 109 18.378 14.870 -0.203 787 HG SER 109 HG SER 109 16.734 17.146 -0.467 788 H SER 110 H SER 110 14.532 14.190 2.252 789 HA SER 110 HA SER 110 13.519 16.817 2.587 790 HB2 SER 110 2HB SER 110 12.187 17.031 0.798 791 HB3 SER 110 1HB SER 110 12.590 15.404 0.254 792 HG SER 110 HG SER 110 10.976 14.608 1.614 793 H LEU 111 H LEU 111 11.375 16.777 3.757 794 HA LEU 111 HA LEU 111 11.460 15.233 6.030 795 HB2 LEU 111 2HB LEU 111 8.889 16.165 4.738 796 HB3 LEU 111 1HB LEU 111 9.198 15.909 6.456 797 HG LEU 111 HG LEU 111 11.209 17.666 5.721 798 HD11 LEU 111 1HD1 LEU 111 9.938 17.906 3.524 799 HD12 LEU 111 2HD1 LEU 111 10.226 19.408 4.403 800 HD13 LEU 111 3HD1 LEU 111 8.638 18.643 4.459 801 HD21 LEU 111 1HD2 LEU 111 9.864 19.323 6.984 802 HD22 LEU 111 2HD2 LEU 111 9.851 17.747 7.776 803 HD23 LEU 111 3HD2 LEU 111 8.452 18.274 6.840 804 H GLN 112 H GLN 112 10.287 13.405 6.767 805 HA GLN 112 HA GLN 112 9.387 11.576 4.617 806 HB2 GLN 112 2HB GLN 112 10.237 9.725 6.076 807 HB3 GLN 112 1HB GLN 112 11.507 10.779 5.453 808 HG2 GLN 112 2HG GLN 112 11.448 12.061 7.588 809 HG3 GLN 112 1HG GLN 112 10.255 10.922 8.210 810 HE21 GLN 112 1HE2 GLN 112 11.017 8.914 9.020 811 HE22 GLN 112 2HE2 GLN 112 12.652 8.460 9.001 812 H PHE 113 H PHE 113 8.081 9.696 5.652 813 HA PHE 113 HA PHE 113 6.489 10.486 7.959 814 HB2 PHE 113 2HB PHE 113 4.616 9.751 5.929 815 HB3 PHE 113 1HB PHE 113 4.717 11.261 6.834 816 HD1 PHE 113 1HD PHE 113 5.585 9.538 3.714 817 HD2 PHE 113 2HD PHE 113 5.998 13.176 5.959 818 HE1 PHE 113 1HE PHE 113 6.371 10.707 1.673 819 HE2 PHE 113 2HE PHE 113 6.785 14.346 3.918 820 HZ PHE 113 HZ PHE 113 6.972 13.112 1.777 821 H LEU 114 H LEU 114 5.150 8.776 8.754 822 HA LEU 114 HA LEU 114 6.039 6.112 7.835 823 HB2 LEU 114 2HB LEU 114 4.681 6.138 10.400 824 HB3 LEU 114 1HB LEU 114 6.286 5.536 9.991 825 HG LEU 114 HG LEU 114 5.577 8.436 10.540 826 HD11 LEU 114 1HD1 LEU 114 5.589 6.916 12.533 827 HD12 LEU 114 2HD1 LEU 114 6.851 8.147 12.589 828 HD13 LEU 114 3HD1 LEU 114 7.255 6.488 12.146 829 HD21 LEU 114 1HD2 LEU 114 7.501 8.901 9.451 830 HD22 LEU 114 2HD2 LEU 114 7.805 7.186 9.181 831 HD23 LEU 114 3HD2 LEU 114 8.364 7.958 10.664 832 H GLN 115 H GLN 115 4.528 4.446 7.587 833 HA GLN 115 HA GLN 115 1.684 5.223 7.672 834 HB2 GLN 115 2HB GLN 115 2.817 3.628 5.381 835 HB3 GLN 115 1HB GLN 115 1.259 4.451 5.486 836 HG2 GLN 115 2HG GLN 115 2.712 6.607 5.787 837 HG3 GLN 115 1HG GLN 115 3.994 5.631 5.072 838 HE21 GLN 115 1HE2 GLN 115 1.203 7.525 4.353 839 HE22 GLN 115 2HE2 GLN 115 1.100 7.138 2.702 840 H ALA 116 H ALA 116 0.516 3.784 8.748 841 HA ALA 116 HA ALA 116 1.437 0.974 8.845 842 HB1 ALA 116 1HB ALA 116 1.549 2.644 10.989 843 HB2 ALA 116 2HB ALA 116 1.316 0.900 11.112 844 HB3 ALA 116 3HB ALA 116 -0.076 1.982 11.173 845 H GLY 117 H GLY 117 -0.080 -0.518 8.389 846 HA2 GLY 117 2HA GLY 117 -2.886 -0.083 8.813 847 HA3 GLY 117 1HA GLY 117 -2.446 0.040 7.113 848 H LEU 118 H LEU 118 -3.902 -1.839 6.908 849 HA LEU 118 HA LEU 118 -2.359 -4.302 7.001 850 HB2 LEU 118 2HB LEU 118 -4.541 -5.402 8.031 851 HB3 LEU 118 1HB LEU 118 -3.274 -4.749 9.067 852 HG LEU 118 HG LEU 118 -4.501 -2.641 9.293 853 HD11 LEU 118 1HD1 LEU 118 -5.624 -2.348 7.238 854 HD12 LEU 118 2HD1 LEU 118 -6.930 -2.709 8.365 855 HD13 LEU 118 3HD1 LEU 118 -6.324 -3.966 7.286 856 HD21 LEU 118 1HD2 LEU 118 -6.401 -3.472 10.585 857 HD22 LEU 118 2HD2 LEU 118 -5.022 -4.546 10.822 858 HD23 LEU 118 3HD2 LEU 118 -6.333 -5.019 9.740 859 H SER 119 H SER 119 -3.630 -6.124 5.970 860 HA SER 119 HA SER 119 -5.498 -5.088 3.924 861 HB2 SER 119 2HB SER 119 -3.569 -7.294 3.298 862 HB3 SER 119 1HB SER 119 -4.387 -6.186 2.200 863 HG SER 119 HG SER 119 -2.695 -4.969 2.365 864 H TYR 120 H TYR 120 -6.940 -6.694 3.024 865 HA TYR 120 HA TYR 120 -7.225 -9.164 4.595 866 HB2 TYR 120 2HB TYR 120 -8.676 -7.309 5.560 867 HB3 TYR 120 1HB TYR 120 -9.580 -7.354 4.045 868 HD1 TYR 120 1HD TYR 120 -10.611 -9.564 3.304 869 HD2 TYR 120 2HD TYR 120 -9.056 -8.922 7.255 870 HE1 TYR 120 1HE TYR 120 -11.899 -11.517 4.129 871 HE2 TYR 120 2HE TYR 120 -10.343 -10.873 8.080 872 HH TYR 120 HH TYR 120 -12.335 -12.160 7.446 873 H ARG 121 H ARG 121 -7.679 -10.870 3.342 874 HA ARG 121 HA ARG 121 -8.192 -10.410 0.502 875 HB2 ARG 121 2HB ARG 121 -7.751 -12.832 0.280 876 HB3 ARG 121 1HB ARG 121 -6.436 -11.997 1.109 877 HG2 ARG 121 2HG ARG 121 -7.414 -12.675 3.293 878 HG3 ARG 121 1HG ARG 121 -8.663 -13.572 2.433 879 HD2 ARG 121 2HD ARG 121 -5.722 -14.152 2.629 880 HD3 ARG 121 1HD ARG 121 -7.085 -15.236 2.874 881 HE ARG 121 HE ARG 121 -7.272 -15.492 0.531 882 HH11 ARG 121 1HH1 ARG 121 -6.279 -15.487 -1.502 883 HH12 ARG 121 2HH1 ARG 121 -4.866 -14.522 -1.772 884 HH21 ARG 121 1HH2 ARG 121 -4.774 -13.258 1.450 885 HH22 ARG 121 2HH2 ARG 121 -4.017 -13.267 -0.106 886 H ILE 122 H ILE 122 -10.019 -11.030 -0.573 887 HA ILE 122 HA ILE 122 -12.359 -11.591 1.085 888 HB ILE 122 HB ILE 122 -12.034 -10.864 -1.831 889 HG12 ILE 122 2HG1 ILE 122 -13.429 -9.369 0.402 890 HG13 ILE 122 1HG1 ILE 122 -11.720 -9.132 0.033 891 HG21 ILE 122 1HG2 ILE 122 -14.595 -10.623 -1.648 892 HG22 ILE 122 2HG2 ILE 122 -14.466 -11.648 -0.219 893 HG23 ILE 122 3HG2 ILE 122 -13.953 -12.259 -1.793 894 HD11 ILE 122 1HD1 ILE 122 -13.031 -7.455 -1.155 895 HD12 ILE 122 2HD1 ILE 122 -14.045 -8.707 -1.866 896 HD13 ILE 122 3HD1 ILE 122 -12.346 -8.584 -2.323 897 H GLN 123 H GLN 123 -10.586 -13.008 -1.642 898 HA GLN 123 HA GLN 123 -12.133 -15.496 -1.289 899 HB2 GLN 123 2HB GLN 123 -11.177 -16.029 -3.603 900 HB3 GLN 123 1HB GLN 123 -12.382 -14.741 -3.527 901 HG2 GLN 123 2HG GLN 123 -9.430 -14.149 -3.322 902 HG3 GLN 123 1HG GLN 123 -10.235 -14.279 -4.886 903 HE21 GLN 123 1HE2 GLN 123 -9.215 -11.953 -2.859 904 HE22 GLN 123 2HE2 GLN 123 -10.436 -10.794 -3.070 905 HA PRO 124 HA PRO 124 -8.426 -17.413 0.218 906 HB2 PRO 124 2HB PRO 124 -8.805 -20.011 -0.560 907 HB3 PRO 124 1HB PRO 124 -9.672 -19.259 0.793 908 HG2 PRO 124 2HG PRO 124 -10.583 -19.767 -1.992 909 HG3 PRO 124 1HG PRO 124 -11.475 -19.903 -0.469 910 HD2 PRO 124 2HD PRO 124 -11.737 -17.768 -2.163 911 HD3 PRO 124 1HD PRO 124 -11.984 -17.652 -0.407 Start of MODEL 6 1 H1 MET 1 1HT MET 1 -5.561 -27.183 -4.296 2 H2 MET 1 2HT MET 1 -3.929 -27.642 -4.189 3 H3 MET 1 3HT MET 1 -4.579 -27.143 -5.678 4 HA MET 1 HA MET 1 -4.619 -25.315 -3.373 5 HB2 MET 1 2HB MET 1 -2.418 -24.473 -4.655 6 HB3 MET 1 1HB MET 1 -2.337 -25.624 -3.322 7 HG2 MET 1 2HG MET 1 -1.036 -26.312 -5.381 8 HG3 MET 1 1HG MET 1 -2.231 -27.492 -4.840 9 HE1 MET 1 1HE MET 1 -0.890 -26.644 -8.147 10 HE2 MET 1 2HE MET 1 -2.115 -27.800 -8.666 11 HE3 MET 1 3HE MET 1 -1.216 -28.089 -7.179 12 H GLN 2 H GLN 2 -4.215 -23.050 -4.378 13 HA GLN 2 HA GLN 2 -5.111 -22.777 -7.131 14 HB2 GLN 2 2HB GLN 2 -7.219 -23.030 -5.830 15 HB3 GLN 2 1HB GLN 2 -6.759 -21.623 -4.869 16 HG2 GLN 2 2HG GLN 2 -7.595 -20.262 -6.447 17 HG3 GLN 2 1HG GLN 2 -6.475 -20.936 -7.628 18 HE21 GLN 2 1HE2 GLN 2 -9.563 -21.896 -6.008 19 HE22 GLN 2 2HE2 GLN 2 -10.247 -22.571 -7.409 20 H ASP 3 H ASP 3 -6.042 -20.073 -5.494 21 HA ASP 3 HA ASP 3 -5.139 -17.983 -5.183 22 HB2 ASP 3 2HB ASP 3 -3.480 -19.474 -3.816 23 HB3 ASP 3 1HB ASP 3 -2.378 -19.152 -5.154 24 H GLY 4 H GLY 4 -5.599 -18.950 -7.812 25 HA2 GLY 4 2HA GLY 4 -3.424 -18.464 -9.567 26 HA3 GLY 4 1HA GLY 4 -5.128 -18.470 -10.014 27 HA PRO 5 HA PRO 5 -3.390 -14.099 -10.076 28 HB2 PRO 5 2HB PRO 5 -3.515 -13.686 -12.773 29 HB3 PRO 5 1HB PRO 5 -2.094 -14.367 -11.961 30 HG2 PRO 5 2HG PRO 5 -4.223 -15.734 -13.515 31 HG3 PRO 5 1HG PRO 5 -2.488 -16.075 -13.430 32 HD2 PRO 5 2HD PRO 5 -4.410 -17.519 -12.067 33 HD3 PRO 5 1HD PRO 5 -2.710 -17.404 -11.564 34 H GLY 6 H GLY 6 -4.636 -12.205 -10.369 35 HA2 GLY 6 2HA GLY 6 -6.528 -11.010 -11.234 36 HA3 GLY 6 1HA GLY 6 -7.360 -12.548 -11.442 37 H THR 7 H THR 7 -5.647 -12.331 -8.516 38 HA THR 7 HA THR 7 -8.059 -12.428 -6.966 39 HB THR 7 HB THR 7 -6.708 -13.017 -5.208 40 HG1 THR 7 1HG THR 7 -5.704 -11.002 -5.031 41 HG21 THR 7 1HG2 THR 7 -4.630 -13.323 -7.376 42 HG22 THR 7 2HG2 THR 7 -6.084 -14.319 -7.329 43 HG23 THR 7 3HG2 THR 7 -4.930 -14.380 -5.996 44 H LEU 8 H LEU 8 -8.677 -10.944 -5.302 45 HA LEU 8 HA LEU 8 -7.594 -8.218 -5.558 46 HB2 LEU 8 2HB LEU 8 -10.412 -8.032 -5.139 47 HB3 LEU 8 1HB LEU 8 -9.464 -7.414 -6.490 48 HG LEU 8 HG LEU 8 -9.590 -9.679 -7.554 49 HD11 LEU 8 1HD1 LEU 8 -10.504 -10.404 -4.970 50 HD12 LEU 8 2HD1 LEU 8 -10.349 -11.449 -6.382 51 HD13 LEU 8 3HD1 LEU 8 -11.873 -10.621 -6.061 52 HD21 LEU 8 1HD2 LEU 8 -12.177 -8.266 -6.851 53 HD22 LEU 8 2HD2 LEU 8 -12.059 -9.519 -8.086 54 HD23 LEU 8 3HD2 LEU 8 -11.172 -8.007 -8.277 55 H ASP 9 H ASP 9 -7.458 -7.124 -3.664 56 HA ASP 9 HA ASP 9 -8.872 -8.183 -1.311 57 HB2 ASP 9 2HB ASP 9 -6.013 -7.413 -0.964 58 HB3 ASP 9 1HB ASP 9 -6.982 -8.572 -0.059 59 H VAL 10 H VAL 10 -8.848 -6.683 0.514 60 HA VAL 10 HA VAL 10 -8.552 -3.866 -0.354 61 HB VAL 10 HB VAL 10 -10.602 -5.114 1.489 62 HG11 VAL 10 1HG1 VAL 10 -10.035 -3.011 2.465 63 HG12 VAL 10 2HG1 VAL 10 -11.488 -2.710 1.509 64 HG13 VAL 10 3HG1 VAL 10 -9.908 -2.232 0.888 65 HG21 VAL 10 1HG2 VAL 10 -12.161 -4.680 -0.193 66 HG22 VAL 10 2HG2 VAL 10 -10.746 -5.125 -1.145 67 HG23 VAL 10 3HG2 VAL 10 -11.165 -3.425 -0.930 68 H PHE 11 H PHE 11 -7.589 -2.437 1.065 69 HA PHE 11 HA PHE 11 -6.872 -3.314 3.747 70 HB2 PHE 11 2HB PHE 11 -4.609 -3.529 3.471 71 HB3 PHE 11 1HB PHE 11 -5.120 -4.052 1.866 72 HD1 PHE 11 1HD PHE 11 -5.281 -2.280 0.013 73 HD2 PHE 11 2HD PHE 11 -3.245 -1.620 3.737 74 HE1 PHE 11 1HE PHE 11 -4.039 -0.389 -1.001 75 HE2 PHE 11 2HE PHE 11 -2.003 0.271 2.723 76 HZ PHE 11 HZ PHE 11 -2.400 0.887 0.353 77 H VAL 12 H VAL 12 -6.528 -1.646 5.125 78 HA VAL 12 HA VAL 12 -6.725 1.079 3.995 79 HB VAL 12 HB VAL 12 -7.234 1.254 6.723 80 HG11 VAL 12 1HG1 VAL 12 -9.073 1.018 4.326 81 HG12 VAL 12 2HG1 VAL 12 -8.443 2.500 5.048 82 HG13 VAL 12 3HG1 VAL 12 -9.621 1.523 5.926 83 HG21 VAL 12 1HG2 VAL 12 -8.840 -0.484 7.225 84 HG22 VAL 12 2HG2 VAL 12 -7.352 -1.273 6.699 85 HG23 VAL 12 3HG2 VAL 12 -8.719 -1.136 5.591 86 H ALA 13 H ALA 13 -5.417 2.741 4.958 87 HA ALA 13 HA ALA 13 -3.334 1.985 6.811 88 HB1 ALA 13 1HB ALA 13 -1.685 3.073 4.996 89 HB2 ALA 13 2HB ALA 13 -2.846 2.326 3.897 90 HB3 ALA 13 3HB ALA 13 -1.985 1.336 5.077 91 H ALA 14 H ALA 14 -3.471 3.577 8.181 92 HA ALA 14 HA ALA 14 -3.714 6.355 7.188 93 HB1 ALA 14 1HB ALA 14 -4.880 6.917 9.228 94 HB2 ALA 14 2HB ALA 14 -4.607 5.300 9.881 95 HB3 ALA 14 3HB ALA 14 -5.682 5.524 8.502 96 H GLY 15 H GLY 15 -2.138 7.756 7.760 97 HA2 GLY 15 2HA GLY 15 -0.369 7.078 10.008 98 HA3 GLY 15 1HA GLY 15 0.351 7.320 8.421 99 H TRP 16 H TRP 16 1.528 9.019 9.647 100 HA TRP 16 HA TRP 16 0.186 11.579 9.262 101 HB2 TRP 16 2HB TRP 16 1.507 11.899 11.721 102 HB3 TRP 16 1HB TRP 16 -0.235 11.911 11.440 103 HD1 TRP 16 HD TRP 16 2.624 9.548 12.417 104 HE1 TRP 16 1HE TRP 16 1.619 7.494 13.608 105 HE3 TRP 16 3HE TRP 16 -2.351 10.498 11.768 106 HZ2 TRP 16 2HZ TRP 16 -0.954 6.399 14.207 107 HZ3 TRP 16 3HZ TRP 16 -4.057 8.935 12.658 108 HH2 TRP 16 HH TRP 16 -3.365 6.888 13.875 109 H ASN 17 H ASN 17 1.706 13.397 9.392 110 HA ASN 17 HA ASN 17 4.430 12.555 8.612 111 HB2 ASN 17 2HB ASN 17 3.198 13.736 6.855 112 HB3 ASN 17 1HB ASN 17 2.912 15.088 7.949 113 HD21 ASN 17 1HD2 ASN 17 4.145 16.428 6.328 114 HD22 ASN 17 2HD2 ASN 17 5.842 16.385 6.349 115 H THR 18 H THR 18 6.223 13.718 9.392 116 HA THR 18 HA THR 18 6.326 14.308 12.069 117 HB THR 18 HB THR 18 8.130 16.067 10.674 118 HG1 THR 18 1HG THR 18 7.697 13.483 9.624 119 HG21 THR 18 1HG2 THR 18 8.552 14.964 12.837 120 HG22 THR 18 2HG2 THR 18 9.794 14.536 11.660 121 HG23 THR 18 3HG2 THR 18 8.510 13.390 12.044 122 H ASP 19 H ASP 19 4.866 16.168 9.609 123 HA ASP 19 HA ASP 19 5.050 18.702 11.014 124 HB2 ASP 19 2HB ASP 19 4.980 18.511 8.507 125 HB3 ASP 19 1HB ASP 19 3.302 17.988 8.654 126 H ASN 20 H ASN 20 3.596 16.120 11.988 127 HA ASN 20 HA ASN 20 1.763 15.647 13.289 128 HB2 ASN 20 2HB ASN 20 2.562 17.851 14.325 129 HB3 ASN 20 1HB ASN 20 1.259 18.616 13.416 130 HD21 ASN 20 1HD2 ASN 20 -0.984 17.953 13.948 131 HD22 ASN 20 2HD2 ASN 20 -1.326 17.241 15.451 132 H THR 21 H THR 21 1.473 15.789 10.412 133 HA THR 21 HA THR 21 -1.255 16.838 10.070 134 HB THR 21 HB THR 21 0.512 15.656 7.927 135 HG1 THR 21 1HG THR 21 1.618 17.359 8.903 136 HG21 THR 21 1HG2 THR 21 -1.868 15.944 7.385 137 HG22 THR 21 2HG2 THR 21 -0.886 17.094 6.479 138 HG23 THR 21 3HG2 THR 21 -1.789 17.630 7.895 139 H ILE 22 H ILE 22 -2.935 15.528 9.264 140 HA ILE 22 HA ILE 22 -2.579 12.658 9.851 141 HB ILE 22 HB ILE 22 -5.205 14.111 9.541 142 HG12 ILE 22 2HG1 ILE 22 -3.524 13.725 12.040 143 HG13 ILE 22 1HG1 ILE 22 -3.913 15.268 11.278 144 HG21 ILE 22 1HG2 ILE 22 -4.844 11.862 11.423 145 HG22 ILE 22 2HG2 ILE 22 -4.616 11.443 9.724 146 HG23 ILE 22 3HG2 ILE 22 -6.136 12.161 10.261 147 HD11 ILE 22 1HD1 ILE 22 -5.637 15.273 12.774 148 HD12 ILE 22 2HD1 ILE 22 -5.603 13.520 12.973 149 HD13 ILE 22 3HD1 ILE 22 -6.408 14.235 11.575 150 H GLU 23 H GLU 23 -2.837 11.155 8.300 151 HA GLU 23 HA GLU 23 -4.061 11.949 5.740 152 HB2 GLU 23 2HB GLU 23 -1.341 10.703 6.137 153 HB3 GLU 23 1HB GLU 23 -2.210 10.613 4.605 154 HG2 GLU 23 2HG GLU 23 -2.318 13.056 4.491 155 HG3 GLU 23 1HG GLU 23 -1.522 13.183 6.058 156 H ILE 24 H ILE 24 -5.368 10.433 4.884 157 HA ILE 24 HA ILE 24 -5.194 7.673 5.911 158 HB ILE 24 HB ILE 24 -6.999 9.016 7.080 159 HG12 ILE 24 2HG1 ILE 24 -7.948 6.704 5.357 160 HG13 ILE 24 1HG1 ILE 24 -7.017 6.522 6.845 161 HG21 ILE 24 1HG2 ILE 24 -7.561 10.229 4.864 162 HG22 ILE 24 2HG2 ILE 24 -8.912 9.722 5.879 163 HG23 ILE 24 3HG2 ILE 24 -8.474 8.775 4.458 164 HD11 ILE 24 1HD1 ILE 24 -9.344 6.255 7.419 165 HD12 ILE 24 2HD1 ILE 24 -9.780 7.726 6.551 166 HD13 ILE 24 3HD1 ILE 24 -8.828 7.826 8.031 167 H THR 25 H THR 25 -5.307 6.165 4.359 168 HA THR 25 HA THR 25 -6.521 6.865 1.769 169 HB THR 25 HB THR 25 -4.187 7.252 1.382 170 HG1 THR 25 1HG THR 25 -3.807 5.028 0.214 171 HG21 THR 25 1HG2 THR 25 -3.314 6.111 3.372 172 HG22 THR 25 2HG2 THR 25 -2.488 5.535 1.924 173 HG23 THR 25 3HG2 THR 25 -3.741 4.548 2.677 174 H GLY 26 H GLY 26 -7.525 5.187 0.733 175 HA2 GLY 26 2HA GLY 26 -7.243 2.476 1.839 176 HA3 GLY 26 1HA GLY 26 -8.846 3.205 1.792 177 H GLY 27 H GLY 27 -7.309 0.926 0.307 178 HA2 GLY 27 2HA GLY 27 -8.720 1.261 -2.186 179 HA3 GLY 27 1HA GLY 27 -6.971 1.352 -2.365 180 H ALA 28 H ALA 28 -6.844 -0.561 -3.566 181 HA ALA 28 HA ALA 28 -6.970 -2.996 -1.941 182 HB1 ALA 28 1HB ALA 28 -7.955 -4.071 -4.162 183 HB2 ALA 28 2HB ALA 28 -8.611 -2.447 -4.372 184 HB3 ALA 28 3HB ALA 28 -9.013 -3.381 -2.931 185 H THR 29 H THR 29 -6.000 -4.876 -3.228 186 HA THR 29 HA THR 29 -3.859 -3.928 -5.030 187 HB THR 29 HB THR 29 -2.220 -5.245 -3.890 188 HG1 THR 29 1HG THR 29 -4.121 -6.781 -3.293 189 HG21 THR 29 1HG2 THR 29 -1.974 -3.930 -2.017 190 HG22 THR 29 2HG2 THR 29 -3.651 -4.150 -1.515 191 HG23 THR 29 3HG2 THR 29 -3.259 -3.024 -2.815 192 H TYR 30 H TYR 30 -3.374 -5.263 -6.715 193 HA TYR 30 HA TYR 30 -5.108 -7.628 -7.037 194 HB2 TYR 30 2HB TYR 30 -4.297 -5.491 -8.793 195 HB3 TYR 30 1HB TYR 30 -3.800 -7.045 -9.464 196 HD1 TYR 30 1HD TYR 30 -6.553 -4.806 -8.888 197 HD2 TYR 30 2HD TYR 30 -5.550 -8.929 -9.562 198 HE1 TYR 30 1HE TYR 30 -8.896 -5.267 -9.556 199 HE2 TYR 30 2HE TYR 30 -7.894 -9.388 -10.231 200 HH TYR 30 HH TYR 30 -9.910 -7.519 -11.262 201 H GLN 31 H GLN 31 -4.228 -9.583 -6.885 202 HA GLN 31 HA GLN 31 -1.296 -9.824 -6.972 203 HB2 GLN 31 2HB GLN 31 -2.980 -10.741 -5.094 204 HB3 GLN 31 1HB GLN 31 -2.998 -12.127 -6.184 205 HG2 GLN 31 2HG GLN 31 -0.401 -11.854 -6.176 206 HG3 GLN 31 1HG GLN 31 -0.673 -10.924 -4.702 207 HE21 GLN 31 1HE2 GLN 31 -1.156 -12.086 -2.785 208 HE22 GLN 31 2HE2 GLN 31 -1.318 -13.776 -2.730 209 H LEU 32 H LEU 32 -0.528 -10.295 -8.926 210 HA LEU 32 HA LEU 32 -2.039 -12.176 -10.637 211 HB2 LEU 32 2HB LEU 32 -0.893 -9.651 -11.197 212 HB3 LEU 32 1HB LEU 32 0.101 -10.850 -12.023 213 HG LEU 32 HG LEU 32 -1.996 -11.858 -12.963 214 HD11 LEU 32 1HD1 LEU 32 -3.663 -9.533 -12.611 215 HD12 LEU 32 2HD1 LEU 32 -3.193 -10.164 -11.032 216 HD13 LEU 32 3HD1 LEU 32 -4.010 -11.211 -12.194 217 HD21 LEU 32 1HD2 LEU 32 -2.513 -9.482 -14.232 218 HD22 LEU 32 2HD2 LEU 32 -1.171 -10.552 -14.637 219 HD23 LEU 32 3HD2 LEU 32 -0.911 -9.179 -13.562 220 H SER 33 H SER 33 1.072 -11.456 -9.178 221 HA SER 33 HA SER 33 1.880 -14.186 -9.243 222 HB2 SER 33 2HB SER 33 3.992 -12.985 -10.715 223 HB3 SER 33 1HB SER 33 2.939 -14.308 -11.210 224 HG SER 33 HG SER 33 2.550 -12.742 -12.671 225 HA PRO 34 HA PRO 34 4.523 -12.718 -6.050 226 HB2 PRO 34 2HB PRO 34 6.735 -14.325 -6.293 227 HB3 PRO 34 1HB PRO 34 5.186 -14.876 -5.627 228 HG2 PRO 34 2HG PRO 34 6.339 -15.294 -8.333 229 HG3 PRO 34 1HG PRO 34 5.386 -16.396 -7.327 230 HD2 PRO 34 2HD PRO 34 4.328 -15.005 -9.439 231 HD3 PRO 34 1HD PRO 34 3.373 -15.513 -8.028 232 H TYR 35 H TYR 35 5.377 -12.342 -9.283 233 HA TYR 35 HA TYR 35 7.986 -11.174 -8.921 234 HB2 TYR 35 2HB TYR 35 6.064 -11.434 -11.211 235 HB3 TYR 35 1HB TYR 35 7.438 -10.335 -11.334 236 HD1 TYR 35 1HD TYR 35 9.778 -11.256 -10.869 237 HD2 TYR 35 2HD TYR 35 6.348 -13.768 -11.487 238 HE1 TYR 35 1HE TYR 35 11.270 -13.174 -11.362 239 HE2 TYR 35 2HE TYR 35 7.840 -15.685 -11.980 240 HH TYR 35 HH TYR 35 10.460 -15.779 -12.925 241 H ILE 36 H ILE 36 5.430 -9.512 -10.664 242 HA ILE 36 HA ILE 36 5.995 -7.098 -9.073 243 HB ILE 36 HB ILE 36 4.954 -7.558 -11.858 244 HG12 ILE 36 2HG1 ILE 36 7.459 -7.226 -11.037 245 HG13 ILE 36 1HG1 ILE 36 6.892 -6.471 -12.524 246 HG21 ILE 36 1HG2 ILE 36 4.616 -5.129 -10.099 247 HG22 ILE 36 2HG2 ILE 36 3.417 -5.927 -11.119 248 HG23 ILE 36 3HG2 ILE 36 4.706 -4.979 -11.854 249 HD11 ILE 36 1HD1 ILE 36 6.673 -4.350 -11.503 250 HD12 ILE 36 2HD1 ILE 36 8.179 -4.983 -10.841 251 HD13 ILE 36 3HD1 ILE 36 6.705 -5.031 -9.876 252 H MET 37 H MET 37 4.457 -6.120 -7.882 253 HA MET 37 HA MET 37 1.763 -7.342 -7.870 254 HB2 MET 37 2HB MET 37 3.326 -7.369 -5.777 255 HB3 MET 37 1HB MET 37 2.848 -5.678 -5.622 256 HG2 MET 37 2HG MET 37 1.125 -6.613 -4.423 257 HG3 MET 37 1HG MET 37 0.421 -6.759 -6.033 258 HE1 MET 37 1HE MET 37 0.818 -8.564 -2.873 259 HE2 MET 37 2HE MET 37 2.513 -8.320 -3.286 260 HE3 MET 37 3HE MET 37 1.864 -9.955 -3.183 261 H VAL 38 H VAL 38 -0.059 -5.964 -7.624 262 HA VAL 38 HA VAL 38 0.404 -3.231 -8.647 263 HB VAL 38 HB VAL 38 -1.987 -5.070 -8.835 264 HG11 VAL 38 1HG1 VAL 38 -2.821 -3.078 -10.301 265 HG12 VAL 38 2HG1 VAL 38 -1.675 -2.122 -9.363 266 HG13 VAL 38 3HG1 VAL 38 -2.993 -2.966 -8.550 267 HG21 VAL 38 1HG2 VAL 38 0.250 -4.911 -10.410 268 HG22 VAL 38 2HG2 VAL 38 -0.818 -3.756 -11.210 269 HG23 VAL 38 3HG2 VAL 38 -1.333 -5.429 -10.990 270 H LYS 39 H LYS 39 -0.312 -1.489 -7.531 271 HA LYS 39 HA LYS 39 -2.077 -1.893 -5.221 272 HB2 LYS 39 2HB LYS 39 0.472 -1.927 -4.631 273 HB3 LYS 39 1HB LYS 39 0.365 -0.184 -4.886 274 HG2 LYS 39 2HG LYS 39 -1.692 -0.280 -3.318 275 HG3 LYS 39 1HG LYS 39 -1.092 -1.873 -2.855 276 HD2 LYS 39 2HD LYS 39 0.021 -0.583 -1.294 277 HD3 LYS 39 1HD LYS 39 1.202 -0.537 -2.604 278 HE2 LYS 39 2HE LYS 39 1.006 1.729 -2.121 279 HE3 LYS 39 1HE LYS 39 -0.211 1.556 -3.385 280 HZ1 LYS 39 1HZ LYS 39 -0.583 1.794 -0.475 281 HZ2 LYS 39 2HZ LYS 39 -1.767 1.029 -1.422 282 HZ3 LYS 39 3HZ LYS 39 -1.349 2.647 -1.724 283 H ALA 40 H ALA 40 -3.573 -0.338 -5.077 284 HA ALA 40 HA ALA 40 -3.035 2.360 -6.017 285 HB1 ALA 40 1HB ALA 40 -5.331 0.823 -7.236 286 HB2 ALA 40 2HB ALA 40 -3.777 1.034 -8.043 287 HB3 ALA 40 3HB ALA 40 -4.770 2.442 -7.659 288 H GLY 41 H GLY 41 -4.690 3.871 -5.392 289 HA2 GLY 41 2HA GLY 41 -7.028 3.171 -3.975 290 HA3 GLY 41 1HA GLY 41 -5.728 3.457 -2.822 291 H TYR 42 H TYR 42 -7.161 5.236 -2.118 292 HA TYR 42 HA TYR 42 -6.523 7.686 -3.618 293 HB2 TYR 42 2HB TYR 42 -9.084 8.099 -2.523 294 HB3 TYR 42 1HB TYR 42 -8.659 7.973 -4.231 295 HD1 TYR 42 1HD TYR 42 -9.852 6.109 -1.266 296 HD2 TYR 42 2HD TYR 42 -9.034 5.937 -5.480 297 HE1 TYR 42 1HE TYR 42 -11.069 3.954 -1.415 298 HE2 TYR 42 2HE TYR 42 -10.252 3.781 -5.628 299 HH TYR 42 HH TYR 42 -10.964 1.976 -4.255 300 H GLY 43 H GLY 43 -5.624 9.141 -2.315 301 HA2 GLY 43 2HA GLY 43 -5.818 8.769 0.589 302 HA3 GLY 43 1HA GLY 43 -4.643 9.777 -0.254 303 H TRP 44 H TRP 44 -6.130 10.652 1.976 304 HA TRP 44 HA TRP 44 -7.367 13.014 0.829 305 HB2 TRP 44 2HB TRP 44 -9.271 11.479 0.879 306 HB3 TRP 44 1HB TRP 44 -8.962 11.128 2.579 307 HD1 TRP 44 HD TRP 44 -9.771 14.166 0.331 308 HE1 TRP 44 1HE TRP 44 -11.156 15.844 1.715 309 HE3 TRP 44 3HE TRP 44 -9.758 11.797 4.855 310 HZ2 TRP 44 2HZ TRP 44 -12.129 16.141 4.389 311 HZ3 TRP 44 3HZ TRP 44 -10.920 12.799 6.802 312 HH2 TRP 44 HH TRP 44 -12.104 14.965 6.575 313 H ASN 45 H ASN 45 -6.827 14.720 2.032 314 HA ASN 45 HA ASN 45 -5.547 14.289 4.613 315 HB2 ASN 45 2HB ASN 45 -4.482 15.821 3.051 316 HB3 ASN 45 1HB ASN 45 -5.952 16.788 2.955 317 HD21 ASN 45 1HD2 ASN 45 -3.520 15.646 5.354 318 HD22 ASN 45 2HD2 ASN 45 -3.658 17.010 6.356 319 H ASN 46 H ASN 46 -7.113 17.295 4.267 320 HA ASN 46 HA ASN 46 -9.495 16.517 5.757 321 HB2 ASN 46 2HB ASN 46 -7.163 17.455 7.093 322 HB3 ASN 46 1HB ASN 46 -8.376 18.733 7.165 323 HD21 ASN 46 1HD2 ASN 46 -8.610 15.127 7.289 324 HD22 ASN 46 2HD2 ASN 46 -9.520 15.099 8.722 325 H SER 47 H SER 47 -7.511 19.059 4.321 326 HA SER 47 HA SER 47 -9.762 20.891 4.130 327 HB2 SER 47 2HB SER 47 -7.496 21.762 4.551 328 HB3 SER 47 1HB SER 47 -6.952 21.093 3.016 329 HG SER 47 HG SER 47 -7.529 23.065 2.417 330 H SER 48 H SER 48 -10.834 18.966 2.887 331 HA SER 48 HA SER 48 -11.663 18.133 0.911 332 HB2 SER 48 2HB SER 48 -12.179 19.735 -0.732 333 HB3 SER 48 1HB SER 48 -12.094 20.673 0.758 334 HG SER 48 HG SER 48 -10.483 20.713 -1.469 335 H LEU 49 H LEU 49 -10.530 19.168 -1.724 336 HA LEU 49 HA LEU 49 -9.002 18.459 -3.283 337 HB2 LEU 49 2HB LEU 49 -7.518 19.262 -1.001 338 HB3 LEU 49 1HB LEU 49 -6.777 17.780 -1.608 339 HG LEU 49 HG LEU 49 -6.763 18.788 -3.902 340 HD11 LEU 49 1HD1 LEU 49 -6.990 21.537 -3.094 341 HD12 LEU 49 2HD1 LEU 49 -8.460 20.680 -2.630 342 HD13 LEU 49 3HD1 LEU 49 -7.927 20.670 -4.311 343 HD21 LEU 49 1HD2 LEU 49 -5.141 19.473 -1.626 344 HD22 LEU 49 2HD2 LEU 49 -5.243 20.868 -2.699 345 HD23 LEU 49 3HD2 LEU 49 -4.654 19.323 -3.314 346 H ASN 50 H ASN 50 -7.296 16.559 -3.640 347 HA ASN 50 HA ASN 50 -7.849 14.127 -2.202 348 HB2 ASN 50 2HB ASN 50 -9.664 14.791 -4.222 349 HB3 ASN 50 1HB ASN 50 -8.579 13.617 -4.963 350 HD21 ASN 50 1HD2 ASN 50 -10.483 14.088 -1.933 351 HD22 ASN 50 2HD2 ASN 50 -10.836 12.441 -1.732 352 H ARG 51 H ARG 51 -6.579 12.331 -2.987 353 HA ARG 51 HA ARG 51 -4.511 13.027 -4.966 354 HB2 ARG 51 2HB ARG 51 -3.319 11.481 -2.870 355 HB3 ARG 51 1HB ARG 51 -2.879 13.095 -3.433 356 HG2 ARG 51 2HG ARG 51 -4.626 14.074 -1.985 357 HG3 ARG 51 1HG ARG 51 -5.047 12.461 -1.409 358 HD2 ARG 51 2HD ARG 51 -3.420 12.588 0.134 359 HD3 ARG 51 1HD ARG 51 -2.225 12.765 -1.148 360 HE ARG 51 HE ARG 51 -2.043 14.964 -0.478 361 HH11 ARG 51 1HH1 ARG 51 -2.778 16.916 0.421 362 HH12 ARG 51 2HH1 ARG 51 -4.409 17.044 0.989 363 HH21 ARG 51 1HH2 ARG 51 -5.235 13.783 0.149 364 HH22 ARG 51 2HH2 ARG 51 -5.801 15.269 0.835 365 H PHE 52 H PHE 52 -4.482 11.499 -6.474 366 HA PHE 52 HA PHE 52 -5.454 8.804 -5.798 367 HB2 PHE 52 2HB PHE 52 -5.679 10.525 -8.111 368 HB3 PHE 52 1HB PHE 52 -4.984 8.966 -8.560 369 HD1 PHE 52 1HD PHE 52 -7.939 10.694 -7.238 370 HD2 PHE 52 2HD PHE 52 -6.216 6.871 -8.164 371 HE1 PHE 52 1HE PHE 52 -10.178 9.643 -7.061 372 HE2 PHE 52 2HE PHE 52 -8.454 5.818 -7.988 373 HZ PHE 52 HZ PHE 52 -10.436 7.205 -7.437 374 H GLU 53 H GLU 53 -4.002 7.276 -5.411 375 HA GLU 53 HA GLU 53 -1.268 7.599 -6.468 376 HB2 GLU 53 2HB GLU 53 -0.749 5.787 -4.754 377 HB3 GLU 53 1HB GLU 53 -1.238 7.352 -4.101 378 HG2 GLU 53 2HG GLU 53 -3.203 6.543 -3.280 379 HG3 GLU 53 1HG GLU 53 -3.458 5.485 -4.665 380 H PHE 54 H PHE 54 -0.273 5.987 -7.643 381 HA PHE 54 HA PHE 54 -1.658 3.486 -8.171 382 HB2 PHE 54 2HB PHE 54 -2.136 5.658 -9.868 383 HB3 PHE 54 1HB PHE 54 -0.946 4.672 -10.717 384 HD1 PHE 54 1HD PHE 54 -4.400 5.034 -9.887 385 HD2 PHE 54 2HD PHE 54 -1.392 2.108 -10.806 386 HE1 PHE 54 1HE PHE 54 -6.170 3.399 -10.477 387 HE2 PHE 54 2HE PHE 54 -3.162 0.474 -11.396 388 HZ PHE 54 HZ PHE 54 -5.550 1.119 -11.231 389 H GLY 55 H GLY 55 -0.201 1.907 -8.396 390 HA2 GLY 55 2HA GLY 55 2.125 1.935 -9.907 391 HA3 GLY 55 1HA GLY 55 2.593 2.442 -8.286 392 H GLY 56 H GLY 56 3.856 0.517 -8.091 393 HA2 GLY 56 2HA GLY 56 2.270 -1.764 -7.163 394 HA3 GLY 56 1HA GLY 56 3.446 -2.065 -8.438 395 H GLY 57 H GLY 57 4.030 -3.535 -6.431 396 HA2 GLY 57 2HA GLY 57 6.299 -2.201 -5.121 397 HA3 GLY 57 1HA GLY 57 5.135 -3.056 -4.114 398 H LEU 58 H LEU 58 7.585 -3.962 -3.852 399 HA LEU 58 HA LEU 58 7.856 -6.296 -5.647 400 HB2 LEU 58 2HB LEU 58 9.784 -4.648 -5.406 401 HB3 LEU 58 1HB LEU 58 9.952 -5.236 -3.752 402 HG LEU 58 HG LEU 58 9.846 -7.600 -5.050 403 HD11 LEU 58 1HD1 LEU 58 9.703 -6.254 -7.235 404 HD12 LEU 58 2HD1 LEU 58 10.927 -7.521 -7.167 405 HD13 LEU 58 3HD1 LEU 58 11.393 -5.835 -6.954 406 HD21 LEU 58 1HD2 LEU 58 12.399 -7.462 -5.057 407 HD22 LEU 58 2HD2 LEU 58 11.617 -7.075 -3.525 408 HD23 LEU 58 3HD2 LEU 58 12.216 -5.780 -4.563 409 H GLN 59 H GLN 59 7.890 -8.342 -4.836 410 HA GLN 59 HA GLN 59 7.665 -8.689 -1.917 411 HB2 GLN 59 2HB GLN 59 5.389 -8.726 -2.924 412 HB3 GLN 59 1HB GLN 59 5.898 -10.054 -3.966 413 HG2 GLN 59 2HG GLN 59 6.359 -10.384 -1.037 414 HG3 GLN 59 1HG GLN 59 4.694 -10.472 -1.603 415 HE21 GLN 59 1HE2 GLN 59 4.832 -12.830 -0.977 416 HE22 GLN 59 2HE2 GLN 59 5.551 -13.919 -2.064 417 H TYR 60 H TYR 60 8.027 -10.999 -1.270 418 HA TYR 60 HA TYR 60 9.679 -12.489 -3.205 419 HB2 TYR 60 2HB TYR 60 10.709 -11.039 -1.021 420 HB3 TYR 60 1HB TYR 60 10.762 -12.736 -0.547 421 HD1 TYR 60 1HD TYR 60 12.147 -10.179 -2.730 422 HD2 TYR 60 2HD TYR 60 11.914 -14.409 -2.024 423 HE1 TYR 60 1HE TYR 60 14.110 -10.534 -4.202 424 HE2 TYR 60 2HE TYR 60 13.877 -14.764 -3.496 425 HH TYR 60 HH TYR 60 15.857 -12.184 -4.568 426 H LYS 61 H LYS 61 10.156 -14.730 -2.394 427 HA LYS 61 HA LYS 61 7.875 -15.786 -0.829 428 HB2 LYS 61 2HB LYS 61 7.926 -16.269 -3.358 429 HB3 LYS 61 1HB LYS 61 9.291 -17.326 -2.996 430 HG2 LYS 61 2HG LYS 61 7.873 -18.517 -1.321 431 HG3 LYS 61 1HG LYS 61 6.506 -17.517 -1.812 432 HD2 LYS 61 2HD LYS 61 6.084 -19.051 -3.410 433 HD3 LYS 61 1HD LYS 61 7.555 -18.502 -4.214 434 HE2 LYS 61 2HE LYS 61 7.772 -20.878 -3.922 435 HE3 LYS 61 1HE LYS 61 8.839 -20.119 -2.741 436 HZ1 LYS 61 1HZ LYS 61 6.063 -20.958 -2.127 437 HZ2 LYS 61 2HZ LYS 61 7.264 -20.469 -1.030 438 HZ3 LYS 61 3HZ LYS 61 7.415 -21.946 -1.856 439 H VAL 62 H VAL 62 8.776 -16.167 1.131 440 HA VAL 62 HA VAL 62 11.044 -18.047 1.203 441 HB VAL 62 HB VAL 62 11.634 -16.603 3.376 442 HG11 VAL 62 1HG1 VAL 62 13.232 -17.100 1.631 443 HG12 VAL 62 2HG1 VAL 62 13.262 -15.358 1.902 444 HG13 VAL 62 3HG1 VAL 62 12.412 -16.017 0.504 445 HG21 VAL 62 1HG2 VAL 62 9.639 -15.065 2.604 446 HG22 VAL 62 2HG2 VAL 62 10.824 -14.427 1.465 447 HG23 VAL 62 3HG2 VAL 62 11.125 -14.327 3.201 448 H THR 63 H THR 63 8.374 -16.498 2.949 449 HA THR 63 HA THR 63 7.992 -19.009 4.443 450 HB THR 63 HB THR 63 8.294 -17.996 6.430 451 HG1 THR 63 1HG THR 63 7.213 -15.819 6.677 452 HG21 THR 63 1HG2 THR 63 10.096 -16.879 5.127 453 HG22 THR 63 2HG2 THR 63 9.512 -15.891 6.463 454 HG23 THR 63 3HG2 THR 63 8.999 -15.534 4.815 455 HA PRO 64 HA PRO 64 3.685 -19.028 3.619 456 HB2 PRO 64 2HB PRO 64 3.131 -17.891 6.341 457 HB3 PRO 64 1HB PRO 64 2.350 -19.251 5.510 458 HG2 PRO 64 2HG PRO 64 4.167 -19.668 7.399 459 HG3 PRO 64 1HG PRO 64 4.083 -20.698 5.958 460 HD2 PRO 64 2HD PRO 64 6.097 -18.639 6.678 461 HD3 PRO 64 1HD PRO 64 6.276 -20.071 5.641 462 H ASP 65 H ASP 65 5.187 -16.130 4.747 463 HA ASP 65 HA ASP 65 4.346 -14.361 2.910 464 HB2 ASP 65 2HB ASP 65 2.093 -14.904 4.762 465 HB3 ASP 65 1HB ASP 65 2.424 -13.209 4.438 466 H LEU 66 H LEU 66 6.528 -13.946 3.809 467 HA LEU 66 HA LEU 66 6.414 -11.661 5.588 468 HB2 LEU 66 2HB LEU 66 6.566 -13.530 7.193 469 HB3 LEU 66 1HB LEU 66 8.026 -14.095 6.383 470 HG LEU 66 HG LEU 66 8.257 -11.278 6.989 471 HD11 LEU 66 1HD1 LEU 66 6.684 -11.783 8.817 472 HD12 LEU 66 2HD1 LEU 66 8.300 -11.480 9.456 473 HD13 LEU 66 3HD1 LEU 66 7.699 -13.133 9.326 474 HD21 LEU 66 1HD2 LEU 66 9.733 -13.729 8.006 475 HD22 LEU 66 2HD2 LEU 66 10.313 -12.066 8.099 476 HD23 LEU 66 3HD2 LEU 66 10.119 -12.845 6.529 477 H GLU 67 H GLU 67 7.417 -10.304 4.232 478 HA GLU 67 HA GLU 67 10.222 -10.634 3.735 479 HB2 GLU 67 2HB GLU 67 9.654 -10.290 1.131 480 HB3 GLU 67 1HB GLU 67 9.887 -11.886 1.843 481 HG2 GLU 67 2HG GLU 67 7.787 -11.571 0.412 482 HG3 GLU 67 1HG GLU 67 7.543 -12.264 2.011 483 HA PRO 68 HA PRO 68 10.031 -6.227 3.672 484 HB2 PRO 68 2HB PRO 68 11.809 -5.656 1.583 485 HB3 PRO 68 1HB PRO 68 12.258 -5.926 3.275 486 HG2 PRO 68 2HG PRO 68 12.380 -7.779 0.966 487 HG3 PRO 68 1HG PRO 68 13.453 -7.643 2.370 488 HD2 PRO 68 2HD PRO 68 11.635 -9.641 2.145 489 HD3 PRO 68 1HD PRO 68 12.079 -8.945 3.720 490 H TYR 69 H TYR 69 9.046 -4.499 2.545 491 HA TYR 69 HA TYR 69 7.751 -5.252 -0.011 492 HB2 TYR 69 2HB TYR 69 6.247 -5.025 2.015 493 HB3 TYR 69 1HB TYR 69 6.666 -3.311 2.033 494 HD1 TYR 69 1HD TYR 69 5.578 -1.785 0.592 495 HD2 TYR 69 2HD TYR 69 5.261 -6.007 -0.141 496 HE1 TYR 69 1HE TYR 69 3.882 -1.354 -1.164 497 HE2 TYR 69 2HE TYR 69 3.563 -5.574 -1.896 498 HH TYR 69 HH TYR 69 2.083 -3.955 -2.661 499 H ALA 70 H ALA 70 8.041 -3.960 -1.710 500 HA ALA 70 HA ALA 70 9.473 -1.408 -1.282 501 HB1 ALA 70 1HB ALA 70 9.273 -2.949 -3.870 502 HB2 ALA 70 2HB ALA 70 10.554 -3.233 -2.690 503 HB3 ALA 70 3HB ALA 70 10.399 -1.655 -3.463 504 H TRP 71 H TRP 71 8.810 0.440 -2.468 505 HA TRP 71 HA TRP 71 6.185 0.265 -3.787 506 HB2 TRP 71 2HB TRP 71 5.949 0.940 -1.349 507 HB3 TRP 71 1HB TRP 71 6.829 2.411 -1.760 508 HD1 TRP 71 HD TRP 71 3.888 0.498 -3.424 509 HE1 TRP 71 1HE TRP 71 2.072 2.220 -4.039 510 HE3 TRP 71 3HE TRP 71 6.101 4.767 -1.707 511 HZ2 TRP 71 2HZ TRP 71 1.616 5.035 -3.828 512 HZ3 TRP 71 3HZ TRP 71 4.953 6.953 -1.925 513 HH2 TRP 71 HH TRP 71 2.716 7.092 -2.983 514 H ALA 72 H ALA 72 5.982 1.538 -5.542 515 HA ALA 72 HA ALA 72 7.595 3.893 -5.944 516 HB1 ALA 72 1HB ALA 72 8.293 1.302 -7.249 517 HB2 ALA 72 2HB ALA 72 9.346 2.616 -6.723 518 HB3 ALA 72 3HB ALA 72 8.414 2.775 -8.212 519 H GLY 73 H GLY 73 6.430 5.287 -7.107 520 HA2 GLY 73 2HA GLY 73 5.011 4.724 -9.455 521 HA3 GLY 73 1HA GLY 73 3.870 4.643 -8.118 522 H ALA 74 H ALA 74 2.835 6.482 -9.185 523 HA ALA 74 HA ALA 74 4.065 9.023 -8.332 524 HB1 ALA 74 1HB ALA 74 3.308 10.102 -10.397 525 HB2 ALA 74 2HB ALA 74 2.679 8.562 -10.983 526 HB3 ALA 74 3HB ALA 74 4.416 8.778 -10.763 527 H THR 75 H THR 75 2.409 10.820 -8.325 528 HA THR 75 HA THR 75 -0.317 9.840 -7.791 529 HB THR 75 HB THR 75 -0.254 11.550 -5.817 530 HG1 THR 75 1HG THR 75 1.943 11.391 -4.892 531 HG21 THR 75 1HG2 THR 75 0.983 9.594 -4.461 532 HG22 THR 75 2HG2 THR 75 0.725 8.743 -5.983 533 HG23 THR 75 3HG2 THR 75 -0.650 9.404 -5.098 534 H TYR 76 H TYR 76 -1.949 11.475 -7.924 535 HA TYR 76 HA TYR 76 -1.103 14.023 -9.137 536 HB2 TYR 76 2HB TYR 76 -3.537 13.095 -10.365 537 HB3 TYR 76 1HB TYR 76 -2.014 13.548 -11.129 538 HD1 TYR 76 1HD TYR 76 -0.084 11.799 -11.023 539 HD2 TYR 76 2HD TYR 76 -4.223 10.850 -10.366 540 HE1 TYR 76 1HE TYR 76 0.384 9.412 -11.510 541 HE2 TYR 76 2HE TYR 76 -3.753 8.464 -10.855 542 HH TYR 76 HH TYR 76 -1.175 7.382 -12.417 543 H ASN 77 H ASN 77 -1.974 15.644 -8.030 544 HA ASN 77 HA ASN 77 -4.323 15.147 -6.350 545 HB2 ASN 77 2HB ASN 77 -2.845 17.755 -6.458 546 HB3 ASN 77 1HB ASN 77 -3.686 17.005 -5.102 547 HD21 ASN 77 1HD2 ASN 77 -2.131 16.464 -3.562 548 HD22 ASN 77 2HD2 ASN 77 -0.646 15.718 -3.905 549 H THR 78 H THR 78 -6.196 16.427 -6.439 550 HA THR 78 HA THR 78 -7.254 16.997 -8.931 551 HB THR 78 HB THR 78 -8.789 18.597 -7.525 552 HG1 THR 78 1HG THR 78 -8.372 17.353 -5.280 553 HG21 THR 78 1HG2 THR 78 -9.845 16.503 -6.488 554 HG22 THR 78 2HG2 THR 78 -8.499 15.610 -7.198 555 HG23 THR 78 3HG2 THR 78 -9.620 16.489 -8.237 556 H ASP 79 H ASP 79 -5.034 18.844 -7.064 557 HA ASP 79 HA ASP 79 -5.604 21.397 -8.260 558 HB2 ASP 79 2HB ASP 79 -4.057 20.466 -6.109 559 HB3 ASP 79 1HB ASP 79 -2.907 21.160 -7.251 560 H ASN 80 H ASN 80 -4.984 18.963 -9.965 561 HA ASN 80 HA ASN 80 -3.876 18.497 -11.923 562 HB2 ASN 80 2HB ASN 80 -4.769 20.930 -12.264 563 HB3 ASN 80 1HB ASN 80 -3.071 21.380 -12.109 564 HD21 ASN 80 1HD2 ASN 80 -5.346 20.622 -14.413 565 HD22 ASN 80 2HD2 ASN 80 -4.325 20.009 -15.621 566 H THR 81 H THR 81 -2.411 18.620 -9.293 567 HA THR 81 HA THR 81 0.319 19.182 -10.246 568 HB THR 81 HB THR 81 -0.480 18.499 -7.420 569 HG1 THR 81 1HG THR 81 -1.348 20.535 -8.751 570 HG21 THR 81 1HG2 THR 81 1.962 18.591 -8.417 571 HG22 THR 81 2HG2 THR 81 1.621 19.309 -6.843 572 HG23 THR 81 3HG2 THR 81 1.731 20.334 -8.273 573 H LEU 82 H LEU 82 1.621 17.561 -10.800 574 HA LEU 82 HA LEU 82 1.084 14.865 -9.716 575 HB2 LEU 82 2HB LEU 82 2.206 14.833 -12.407 576 HB3 LEU 82 1HB LEU 82 0.826 13.953 -11.756 577 HG LEU 82 HG LEU 82 -0.492 16.127 -11.929 578 HD11 LEU 82 1HD1 LEU 82 2.053 17.160 -12.528 579 HD12 LEU 82 2HD1 LEU 82 0.515 18.010 -12.663 580 HD13 LEU 82 3HD1 LEU 82 1.184 17.170 -14.062 581 HD21 LEU 82 1HD2 LEU 82 -1.050 14.561 -13.567 582 HD22 LEU 82 2HD2 LEU 82 0.571 14.559 -14.261 583 HD23 LEU 82 3HD2 LEU 82 -0.512 15.921 -14.552 584 H VAL 83 H VAL 83 2.819 13.914 -8.861 585 HA VAL 83 HA VAL 83 5.491 14.589 -9.828 586 HB VAL 83 HB VAL 83 5.972 14.691 -7.153 587 HG11 VAL 83 1HG1 VAL 83 5.201 16.997 -8.968 588 HG12 VAL 83 2HG1 VAL 83 6.803 16.271 -8.847 589 HG13 VAL 83 3HG1 VAL 83 6.125 17.146 -7.475 590 HG21 VAL 83 1HG2 VAL 83 4.280 15.994 -6.056 591 HG22 VAL 83 2HG2 VAL 83 3.451 14.629 -6.802 592 HG23 VAL 83 3HG2 VAL 83 3.390 16.219 -7.563 593 HA PRO 84 HA PRO 84 6.167 10.313 -8.949 594 HB2 PRO 84 2HB PRO 84 8.830 10.264 -8.315 595 HB3 PRO 84 1HB PRO 84 8.224 10.480 -9.968 596 HG2 PRO 84 2HG PRO 84 9.242 12.507 -8.045 597 HG3 PRO 84 1HG PRO 84 9.473 12.394 -9.798 598 HD2 PRO 84 2HD PRO 84 7.677 14.107 -8.639 599 HD3 PRO 84 1HD PRO 84 7.464 13.429 -10.267 600 H ALA 85 H ALA 85 6.630 8.763 -7.256 601 HA ALA 85 HA ALA 85 7.278 9.729 -4.598 602 HB1 ALA 85 1HB ALA 85 4.885 10.238 -4.711 603 HB2 ALA 85 2HB ALA 85 5.181 8.916 -3.585 604 HB3 ALA 85 3HB ALA 85 4.542 8.577 -5.193 605 H ALA 86 H ALA 86 8.151 8.148 -3.353 606 HA ALA 86 HA ALA 86 7.672 5.343 -3.927 607 HB1 ALA 86 1HB ALA 86 10.162 6.750 -4.740 608 HB2 ALA 86 2HB ALA 86 9.377 5.343 -5.455 609 HB3 ALA 86 3HB ALA 86 10.346 5.164 -3.991 610 H GLY 87 H GLY 87 8.935 3.940 -2.394 611 HA2 GLY 87 2HA GLY 87 10.231 5.002 -0.115 612 HA3 GLY 87 1HA GLY 87 8.531 4.729 0.258 613 H ALA 88 H ALA 88 9.354 3.157 1.819 614 HA ALA 88 HA ALA 88 9.509 0.503 0.617 615 HB1 ALA 88 1HB ALA 88 11.808 1.860 1.804 616 HB2 ALA 88 2HB ALA 88 11.746 0.387 0.837 617 HB3 ALA 88 3HB ALA 88 11.457 0.313 2.575 618 H GLY 89 H GLY 89 9.149 -1.207 2.177 619 HA2 GLY 89 2HA GLY 89 8.375 -0.523 4.880 620 HA3 GLY 89 1HA GLY 89 7.020 -0.938 3.834 621 H PHE 90 H PHE 90 6.685 -2.744 5.310 622 HA PHE 90 HA PHE 90 8.074 -5.119 4.371 623 HB2 PHE 90 2HB PHE 90 7.966 -5.211 7.272 624 HB3 PHE 90 1HB PHE 90 9.319 -5.545 6.190 625 HD1 PHE 90 1HD PHE 90 11.002 -3.901 5.749 626 HD2 PHE 90 2HD PHE 90 7.470 -2.850 7.955 627 HE1 PHE 90 1HE PHE 90 12.031 -1.729 6.363 628 HE2 PHE 90 2HE PHE 90 8.498 -0.679 8.569 629 HZ PHE 90 HZ PHE 90 10.779 -0.118 7.772 630 H ARG 91 H ARG 91 6.804 -6.910 4.455 631 HA ARG 91 HA ARG 91 4.091 -6.549 5.563 632 HB2 ARG 91 2HB ARG 91 5.122 -8.393 3.397 633 HB3 ARG 91 1HB ARG 91 3.466 -8.393 4.003 634 HG2 ARG 91 2HG ARG 91 4.182 -5.695 3.385 635 HG3 ARG 91 1HG ARG 91 4.607 -6.707 2.003 636 HD2 ARG 91 2HD ARG 91 2.353 -7.644 1.950 637 HD3 ARG 91 1HD ARG 91 1.914 -6.736 3.392 638 HE ARG 91 HE ARG 91 2.768 -4.841 1.571 639 HH11 ARG 91 1HH1 ARG 91 1.317 -3.777 0.185 640 HH12 ARG 91 2HH1 ARG 91 -0.200 -4.516 -0.205 641 HH21 ARG 91 1HH2 ARG 91 0.382 -7.344 1.716 642 HH22 ARG 91 2HH2 ARG 91 -0.729 -6.535 0.661 643 H TYR 92 H TYR 92 3.904 -7.425 7.520 644 HA TYR 92 HA TYR 92 5.310 -9.959 8.094 645 HB2 TYR 92 2HB TYR 92 5.696 -7.884 9.551 646 HB3 TYR 92 1HB TYR 92 4.049 -8.130 10.134 647 HD1 TYR 92 1HD TYR 92 3.439 -10.434 11.092 648 HD2 TYR 92 2HD TYR 92 7.485 -9.151 10.428 649 HE1 TYR 92 1HE TYR 92 4.249 -12.181 12.653 650 HE2 TYR 92 2HE TYR 92 8.295 -10.900 11.989 651 HH TYR 92 HH TYR 92 7.273 -13.271 12.782 652 H LYS 93 H LYS 93 4.153 -11.764 8.345 653 HA LYS 93 HA LYS 93 1.258 -11.638 8.127 654 HB2 LYS 93 2HB LYS 93 2.218 -13.350 6.819 655 HB3 LYS 93 1HB LYS 93 3.273 -13.877 8.130 656 HG2 LYS 93 2HG LYS 93 1.550 -14.958 9.267 657 HG3 LYS 93 1HG LYS 93 0.299 -13.966 8.519 658 HD2 LYS 93 2HD LYS 93 0.465 -15.130 6.450 659 HD3 LYS 93 1HD LYS 93 1.986 -15.893 6.915 660 HE2 LYS 93 2HE LYS 93 -0.475 -16.374 8.570 661 HE3 LYS 93 1HE LYS 93 -0.250 -17.269 7.067 662 HZ1 LYS 93 1HZ LYS 93 0.889 -17.810 9.528 663 HZ2 LYS 93 2HZ LYS 93 2.155 -17.230 8.555 664 HZ3 LYS 93 3HZ LYS 93 1.234 -18.564 8.048 665 H VAL 94 H VAL 94 -0.087 -11.637 9.796 666 HA VAL 94 HA VAL 94 0.916 -12.528 12.433 667 HB VAL 94 HB VAL 94 -1.436 -10.702 11.928 668 HG11 VAL 94 1HG1 VAL 94 -0.939 -12.015 14.160 669 HG12 VAL 94 2HG1 VAL 94 -1.389 -10.312 14.230 670 HG13 VAL 94 3HG1 VAL 94 0.304 -10.783 14.376 671 HG21 VAL 94 1HG2 VAL 94 0.202 -8.879 12.591 672 HG22 VAL 94 2HG2 VAL 94 0.472 -9.570 10.990 673 HG23 VAL 94 3HG2 VAL 94 1.494 -10.053 12.344 674 H SER 95 H SER 95 -1.891 -12.555 10.259 675 HA SER 95 HA SER 95 -2.705 -15.112 11.446 676 HB2 SER 95 2HB SER 95 -4.518 -14.247 12.436 677 HB3 SER 95 1HB SER 95 -4.062 -12.637 11.888 678 HG SER 95 HG SER 95 -5.309 -14.506 10.174 679 HA PRO 96 HA PRO 96 -3.529 -16.250 7.276 680 HB2 PRO 96 2HB PRO 96 -5.768 -17.811 7.492 681 HB3 PRO 96 1HB PRO 96 -4.156 -18.335 8.015 682 HG2 PRO 96 2HG PRO 96 -6.431 -17.308 9.632 683 HG3 PRO 96 1HG PRO 96 -5.273 -18.596 10.001 684 HD2 PRO 96 2HD PRO 96 -5.086 -16.073 11.057 685 HD3 PRO 96 1HD PRO 96 -3.679 -17.126 10.790 686 H GLU 97 H GLU 97 -5.784 -14.365 8.992 687 HA GLU 97 HA GLU 97 -7.206 -13.675 6.487 688 HB2 GLU 97 2HB GLU 97 -8.271 -13.858 9.310 689 HB3 GLU 97 1HB GLU 97 -9.135 -13.054 7.999 690 HG2 GLU 97 2HG GLU 97 -9.008 -15.174 6.678 691 HG3 GLU 97 1HG GLU 97 -8.281 -15.961 8.078 692 H VAL 98 H VAL 98 -5.191 -12.632 8.980 693 HA VAL 98 HA VAL 98 -5.663 -9.817 8.228 694 HB VAL 98 HB VAL 98 -4.944 -10.633 11.039 695 HG11 VAL 98 1HG1 VAL 98 -6.262 -8.147 9.911 696 HG12 VAL 98 2HG1 VAL 98 -4.533 -8.291 10.225 697 HG13 VAL 98 3HG1 VAL 98 -5.684 -8.381 11.559 698 HG21 VAL 98 1HG2 VAL 98 -7.623 -10.494 9.685 699 HG22 VAL 98 2HG2 VAL 98 -7.484 -9.995 11.371 700 HG23 VAL 98 3HG2 VAL 98 -7.046 -11.636 10.900 701 H LYS 99 H LYS 99 -3.861 -8.661 7.818 702 HA LYS 99 HA LYS 99 -1.251 -9.780 8.609 703 HB2 LYS 99 2HB LYS 99 -1.914 -8.740 5.843 704 HB3 LYS 99 1HB LYS 99 -0.346 -9.339 6.387 705 HG2 LYS 99 2HG LYS 99 -1.080 -11.326 5.551 706 HG3 LYS 99 1HG LYS 99 -1.964 -11.429 7.074 707 HD2 LYS 99 2HD LYS 99 -3.911 -10.325 5.993 708 HD3 LYS 99 1HD LYS 99 -3.030 -10.309 4.465 709 HE2 LYS 99 2HE LYS 99 -4.172 -12.290 4.187 710 HE3 LYS 99 1HE LYS 99 -2.762 -12.911 5.043 711 HZ1 LYS 99 1HZ LYS 99 -4.651 -13.759 6.140 712 HZ2 LYS 99 2HZ LYS 99 -5.419 -12.244 6.171 713 HZ3 LYS 99 3HZ LYS 99 -4.050 -12.525 7.138 714 H LEU 100 H LEU 100 0.148 -8.290 9.359 715 HA LEU 100 HA LEU 100 -0.749 -5.513 9.465 716 HB2 LEU 100 2HB LEU 100 0.176 -6.822 11.463 717 HB3 LEU 100 1HB LEU 100 1.759 -6.638 10.704 718 HG LEU 100 HG LEU 100 0.952 -4.090 10.541 719 HD11 LEU 100 1HD1 LEU 100 -0.272 -4.925 13.167 720 HD12 LEU 100 2HD1 LEU 100 -1.242 -4.884 11.695 721 HD13 LEU 100 3HD1 LEU 100 -0.475 -3.410 12.287 722 HD21 LEU 100 1HD2 LEU 100 3.004 -4.704 11.624 723 HD22 LEU 100 2HD2 LEU 100 2.145 -5.525 12.926 724 HD23 LEU 100 3HD2 LEU 100 2.084 -3.767 12.803 725 H VAL 101 H VAL 101 0.353 -3.781 8.607 726 HA VAL 101 HA VAL 101 2.765 -4.334 7.014 727 HB VAL 101 HB VAL 101 1.504 -2.552 5.404 728 HG11 VAL 101 1HG1 VAL 101 0.787 -4.684 4.111 729 HG12 VAL 101 2HG1 VAL 101 1.524 -5.568 5.447 730 HG13 VAL 101 3HG1 VAL 101 2.502 -4.475 4.467 731 HG21 VAL 101 1HG2 VAL 101 -0.547 -2.734 6.862 732 HG22 VAL 101 2HG2 VAL 101 -0.661 -4.430 6.395 733 HG23 VAL 101 3HG2 VAL 101 -0.827 -3.167 5.176 734 H VAL 102 H VAL 102 4.188 -2.614 6.853 735 HA VAL 102 HA VAL 102 3.427 -0.032 7.963 736 HB VAL 102 HB VAL 102 5.751 -1.656 9.031 737 HG11 VAL 102 1HG1 VAL 102 5.255 0.595 10.631 738 HG12 VAL 102 2HG1 VAL 102 5.167 1.191 8.974 739 HG13 VAL 102 3HG1 VAL 102 6.618 0.364 9.537 740 HG21 VAL 102 1HG2 VAL 102 3.068 -0.852 10.181 741 HG22 VAL 102 2HG2 VAL 102 4.419 -1.356 11.196 742 HG23 VAL 102 3HG2 VAL 102 3.732 -2.478 10.020 743 H GLU 103 H GLU 103 3.915 1.212 6.317 744 HA GLU 103 HA GLU 103 6.595 0.991 5.097 745 HB2 GLU 103 2HB GLU 103 4.505 2.068 3.339 746 HB3 GLU 103 1HB GLU 103 5.777 0.896 2.993 747 HG2 GLU 103 2HG GLU 103 3.740 -0.314 2.785 748 HG3 GLU 103 1HG GLU 103 4.395 -0.779 4.353 749 H TYR 104 H TYR 104 7.499 2.954 4.338 750 HA TYR 104 HA TYR 104 6.210 5.399 5.396 751 HB2 TYR 104 2HB TYR 104 8.339 6.221 6.122 752 HB3 TYR 104 1HB TYR 104 8.176 4.585 6.761 753 HD1 TYR 104 1HD TYR 104 10.091 6.783 4.621 754 HD2 TYR 104 2HD TYR 104 9.269 2.662 5.514 755 HE1 TYR 104 1HE TYR 104 12.166 6.113 3.439 756 HE2 TYR 104 2HE TYR 104 11.344 1.991 4.331 757 HH TYR 104 HH TYR 104 13.749 4.224 3.433 758 H GLY 105 H GLY 105 5.888 6.924 3.915 759 HA2 GLY 105 2HA GLY 105 6.915 6.588 1.227 760 HA3 GLY 105 1HA GLY 105 5.805 7.841 1.778 761 H TRP 106 H TRP 106 8.281 7.999 0.128 762 HA TRP 106 HA TRP 106 9.429 10.300 1.455 763 HB2 TRP 106 2HB TRP 106 10.984 8.965 2.492 764 HB3 TRP 106 1HB TRP 106 10.877 7.703 1.264 765 HD1 TRP 106 HD TRP 106 12.396 11.186 1.837 766 HE1 TRP 106 1HE TRP 106 14.401 11.475 0.242 767 HE3 TRP 106 3HE TRP 106 11.989 6.880 -0.878 768 HZ2 TRP 106 2HZ TRP 106 15.665 10.065 -1.902 769 HZ3 TRP 106 3HZ TRP 106 13.605 6.379 -2.688 770 HH2 TRP 106 HH TRP 106 15.441 7.963 -3.204 771 H ASN 107 H ASN 107 10.935 11.465 0.047 772 HA ASN 107 HA ASN 107 11.270 10.670 -2.689 773 HB2 ASN 107 2HB ASN 107 8.961 11.285 -2.920 774 HB3 ASN 107 1HB ASN 107 9.212 12.779 -2.020 775 HD21 ASN 107 1HD2 ASN 107 10.062 11.141 -5.088 776 HD22 ASN 107 2HD2 ASN 107 10.404 12.572 -5.935 777 H ASN 108 H ASN 108 12.416 12.312 -3.948 778 HA ASN 108 HA ASN 108 14.614 13.387 -2.760 779 HB2 ASN 108 2HB ASN 108 13.291 14.936 -4.965 780 HB3 ASN 108 1HB ASN 108 15.002 14.581 -4.726 781 HD21 ASN 108 1HD2 ASN 108 13.143 13.972 -7.083 782 HD22 ASN 108 2HD2 ASN 108 13.322 12.303 -7.334 783 H SER 109 H SER 109 14.995 14.933 -1.313 784 HA SER 109 HA SER 109 14.514 16.581 0.241 785 HB2 SER 109 2HB SER 109 15.305 17.955 -1.562 786 HB3 SER 109 1HB SER 109 13.756 17.854 -2.394 787 HG SER 109 HG SER 109 13.568 19.713 -1.331 788 H SER 110 H SER 110 12.563 14.799 0.512 789 HA SER 110 HA SER 110 10.175 16.477 0.894 790 HB2 SER 110 2HB SER 110 9.661 13.673 0.104 791 HB3 SER 110 1HB SER 110 8.765 15.138 -0.286 792 HG SER 110 HG SER 110 9.949 15.394 -2.018 793 H LEU 111 H LEU 111 9.155 16.148 2.800 794 HA LEU 111 HA LEU 111 10.429 14.837 4.912 795 HB2 LEU 111 2HB LEU 111 7.546 15.672 4.559 796 HB3 LEU 111 1HB LEU 111 8.200 15.058 6.078 797 HG LEU 111 HG LEU 111 9.725 17.243 4.747 798 HD11 LEU 111 1HD1 LEU 111 7.094 17.689 6.195 799 HD12 LEU 111 2HD1 LEU 111 7.404 18.017 4.490 800 HD13 LEU 111 3HD1 LEU 111 8.230 18.958 5.733 801 HD21 LEU 111 1HD2 LEU 111 10.378 16.160 6.912 802 HD22 LEU 111 2HD2 LEU 111 8.878 16.760 7.622 803 HD23 LEU 111 3HD2 LEU 111 10.106 17.896 7.066 804 H GLN 112 H GLN 112 9.886 12.934 6.080 805 HA GLN 112 HA GLN 112 8.690 10.831 4.383 806 HB2 GLN 112 2HB GLN 112 9.967 9.422 6.275 807 HB3 GLN 112 1HB GLN 112 10.773 9.983 4.809 808 HG2 GLN 112 2HG GLN 112 11.829 11.758 5.910 809 HG3 GLN 112 1HG GLN 112 10.665 11.756 7.235 810 HE21 GLN 112 1HE2 GLN 112 12.777 11.671 8.570 811 HE22 GLN 112 2HE2 GLN 112 13.438 10.139 8.876 812 H PHE 113 H PHE 113 6.857 9.893 5.013 813 HA PHE 113 HA PHE 113 5.896 10.400 7.767 814 HB2 PHE 113 2HB PHE 113 3.751 9.530 6.168 815 HB3 PHE 113 1HB PHE 113 4.040 11.161 6.769 816 HD1 PHE 113 1HD PHE 113 5.461 12.750 5.395 817 HD2 PHE 113 2HD PHE 113 4.035 8.997 3.867 818 HE1 PHE 113 1HE PHE 113 5.897 13.527 3.080 819 HE2 PHE 113 2HE PHE 113 4.471 9.774 1.552 820 HZ PHE 113 HZ PHE 113 5.402 12.039 1.159 821 H LEU 114 H LEU 114 4.734 8.708 8.826 822 HA LEU 114 HA LEU 114 5.564 6.013 7.931 823 HB2 LEU 114 2HB LEU 114 5.946 7.282 10.375 824 HB3 LEU 114 1HB LEU 114 4.583 6.203 10.668 825 HG LEU 114 HG LEU 114 7.250 5.405 9.462 826 HD11 LEU 114 1HD1 LEU 114 7.488 5.773 11.833 827 HD12 LEU 114 2HD1 LEU 114 7.371 4.030 11.586 828 HD13 LEU 114 3HD1 LEU 114 5.973 4.934 12.169 829 HD21 LEU 114 1HD2 LEU 114 5.950 3.101 10.163 830 HD22 LEU 114 2HD2 LEU 114 5.945 3.777 8.534 831 HD23 LEU 114 3HD2 LEU 114 4.600 4.101 9.628 832 H GLN 115 H GLN 115 4.051 4.534 7.448 833 HA GLN 115 HA GLN 115 1.230 5.182 8.070 834 HB2 GLN 115 2HB GLN 115 2.515 4.075 5.597 835 HB3 GLN 115 1HB GLN 115 0.835 3.685 5.971 836 HG2 GLN 115 2HG GLN 115 0.294 6.077 6.111 837 HG3 GLN 115 1HG GLN 115 1.976 6.488 5.779 838 HE21 GLN 115 1HE2 GLN 115 -0.413 7.161 4.120 839 HE22 GLN 115 2HE2 GLN 115 -0.131 6.460 2.600 840 H ALA 116 H ALA 116 -0.033 3.624 8.937 841 HA ALA 116 HA ALA 116 1.044 0.895 9.174 842 HB1 ALA 116 1HB ALA 116 1.427 2.466 11.254 843 HB2 ALA 116 2HB ALA 116 0.872 0.808 11.484 844 HB3 ALA 116 3HB ALA 116 -0.280 2.141 11.554 845 H GLY 117 H GLY 117 -0.471 -0.636 8.836 846 HA2 GLY 117 2HA GLY 117 -3.243 -0.275 9.467 847 HA3 GLY 117 1HA GLY 117 -2.941 -0.125 7.741 848 H LEU 118 H LEU 118 -4.356 -2.032 7.614 849 HA LEU 118 HA LEU 118 -2.751 -4.483 7.743 850 HB2 LEU 118 2HB LEU 118 -5.307 -5.324 8.506 851 HB3 LEU 118 1HB LEU 118 -3.868 -5.269 9.522 852 HG LEU 118 HG LEU 118 -4.406 -2.953 10.174 853 HD11 LEU 118 1HD1 LEU 118 -6.217 -3.204 7.921 854 HD12 LEU 118 2HD1 LEU 118 -5.720 -1.749 8.789 855 HD13 LEU 118 3HD1 LEU 118 -7.091 -2.697 9.366 856 HD21 LEU 118 1HD2 LEU 118 -6.669 -3.512 11.301 857 HD22 LEU 118 2HD2 LEU 118 -5.295 -4.553 11.674 858 HD23 LEU 118 3HD2 LEU 118 -6.516 -5.084 10.518 859 H SER 119 H SER 119 -3.877 -6.303 6.576 860 HA SER 119 HA SER 119 -5.705 -5.346 4.472 861 HB2 SER 119 2HB SER 119 -3.416 -7.148 3.755 862 HB3 SER 119 1HB SER 119 -4.380 -6.108 2.712 863 HG SER 119 HG SER 119 -2.709 -4.832 2.980 864 H TYR 120 H TYR 120 -6.941 -7.007 3.464 865 HA TYR 120 HA TYR 120 -6.750 -9.712 4.544 866 HB2 TYR 120 2HB TYR 120 -9.138 -9.734 5.208 867 HB3 TYR 120 1HB TYR 120 -8.185 -8.616 6.182 868 HD1 TYR 120 1HD TYR 120 -10.486 -8.820 3.256 869 HD2 TYR 120 2HD TYR 120 -8.668 -6.293 6.216 870 HE1 TYR 120 1HE TYR 120 -11.972 -6.954 2.576 871 HE2 TYR 120 2HE TYR 120 -10.154 -4.427 5.537 872 HH TYR 120 HH TYR 120 -11.455 -3.885 3.167 873 H ARG 121 H ARG 121 -7.815 -11.266 3.281 874 HA ARG 121 HA ARG 121 -8.305 -10.417 0.534 875 HB2 ARG 121 2HB ARG 121 -8.321 -13.203 1.718 876 HB3 ARG 121 1HB ARG 121 -8.270 -12.786 0.005 877 HG2 ARG 121 2HG ARG 121 -6.105 -11.612 0.388 878 HG3 ARG 121 1HG ARG 121 -6.144 -12.143 2.070 879 HD2 ARG 121 2HD ARG 121 -5.142 -14.048 1.417 880 HD3 ARG 121 1HD ARG 121 -6.620 -14.460 0.554 881 HE ARG 121 HE ARG 121 -5.472 -14.056 -1.407 882 HH11 ARG 121 1HH1 ARG 121 -3.769 -13.228 -2.663 883 HH12 ARG 121 2HH1 ARG 121 -2.582 -12.198 -1.933 884 HH21 ARG 121 1HH2 ARG 121 -4.031 -12.315 1.215 885 HH22 ARG 121 2HH2 ARG 121 -2.732 -11.681 0.263 886 H ILE 122 H ILE 122 -10.237 -10.595 -0.545 887 HA ILE 122 HA ILE 122 -12.607 -11.015 1.156 888 HB ILE 122 HB ILE 122 -13.798 -9.855 -0.752 889 HG12 ILE 122 2HG1 ILE 122 -10.950 -9.249 -1.606 890 HG13 ILE 122 1HG1 ILE 122 -12.027 -10.363 -2.449 891 HG21 ILE 122 1HG2 ILE 122 -13.097 -8.687 1.318 892 HG22 ILE 122 2HG2 ILE 122 -12.988 -7.630 -0.090 893 HG23 ILE 122 3HG2 ILE 122 -11.528 -8.352 0.586 894 HD11 ILE 122 1HD1 ILE 122 -12.964 -8.642 -3.551 895 HD12 ILE 122 2HD1 ILE 122 -11.868 -7.529 -2.732 896 HD13 ILE 122 3HD1 ILE 122 -13.436 -7.909 -2.018 897 H GLN 123 H GLN 123 -10.788 -12.455 -1.336 898 HA GLN 123 HA GLN 123 -12.879 -14.482 -1.692 899 HB2 GLN 123 2HB GLN 123 -11.810 -12.681 -3.779 900 HB3 GLN 123 1HB GLN 123 -11.884 -14.388 -4.219 901 HG2 GLN 123 2HG GLN 123 -14.223 -14.496 -3.859 902 HG3 GLN 123 1HG GLN 123 -14.233 -12.992 -2.939 903 HE21 GLN 123 1HE2 GLN 123 -12.297 -13.111 -5.857 904 HE22 GLN 123 2HE2 GLN 123 -13.332 -12.161 -6.809 905 HA PRO 124 HA PRO 124 -9.455 -17.245 -1.309 906 HB2 PRO 124 2HB PRO 124 -10.218 -19.336 -2.913 907 HB3 PRO 124 1HB PRO 124 -10.918 -19.018 -1.314 908 HG2 PRO 124 2HG PRO 124 -12.001 -18.400 -4.012 909 HG3 PRO 124 1HG PRO 124 -12.842 -18.948 -2.553 910 HD2 PRO 124 2HD PRO 124 -12.859 -16.342 -3.395 911 HD3 PRO 124 1HD PRO 124 -13.020 -16.815 -1.690 Start of MODEL 7 1 H1 MET 1 1HT MET 1 -7.034 -25.212 -5.040 2 H2 MET 1 2HT MET 1 -6.313 -25.330 -3.506 3 H3 MET 1 3HT MET 1 -5.483 -25.879 -4.883 4 HA MET 1 HA MET 1 -5.157 -23.456 -3.745 5 HB2 MET 1 2HB MET 1 -3.819 -24.792 -5.525 6 HB3 MET 1 1HB MET 1 -4.786 -23.905 -6.705 7 HG2 MET 1 2HG MET 1 -4.033 -21.861 -5.095 8 HG3 MET 1 1HG MET 1 -2.643 -22.929 -4.896 9 HE1 MET 1 1HE MET 1 -1.574 -20.921 -5.556 10 HE2 MET 1 2HE MET 1 -2.427 -19.855 -6.670 11 HE3 MET 1 3HE MET 1 -0.966 -20.684 -7.200 12 H GLN 2 H GLN 2 -6.031 -21.459 -3.872 13 HA GLN 2 HA GLN 2 -8.008 -20.897 -5.979 14 HB2 GLN 2 2HB GLN 2 -8.558 -21.250 -3.152 15 HB3 GLN 2 1HB GLN 2 -9.008 -19.633 -3.698 16 HG2 GLN 2 2HG GLN 2 -10.311 -20.602 -5.544 17 HG3 GLN 2 1HG GLN 2 -9.845 -22.224 -5.033 18 HE21 GLN 2 1HE2 GLN 2 -12.554 -21.768 -5.090 19 HE22 GLN 2 2HE2 GLN 2 -13.168 -21.576 -3.519 20 H ASP 3 H ASP 3 -5.421 -19.929 -3.992 21 HA ASP 3 HA ASP 3 -5.835 -17.073 -4.357 22 HB2 ASP 3 2HB ASP 3 -3.746 -18.761 -3.011 23 HB3 ASP 3 1HB ASP 3 -3.449 -17.052 -3.327 24 H GLY 4 H GLY 4 -5.900 -17.850 -6.816 25 HA2 GLY 4 2HA GLY 4 -3.170 -17.707 -7.934 26 HA3 GLY 4 1HA GLY 4 -4.582 -18.328 -8.782 27 HA PRO 5 HA PRO 5 -3.501 -13.893 -10.101 28 HB2 PRO 5 2HB PRO 5 -4.450 -15.194 -12.619 29 HB3 PRO 5 1HB PRO 5 -3.104 -14.065 -12.370 30 HG2 PRO 5 2HG PRO 5 -2.704 -16.680 -12.738 31 HG3 PRO 5 1HG PRO 5 -1.674 -15.710 -11.674 32 HD2 PRO 5 2HD PRO 5 -3.728 -17.737 -10.956 33 HD3 PRO 5 1HD PRO 5 -2.290 -17.218 -10.052 34 H GLY 6 H GLY 6 -5.008 -12.277 -10.786 35 HA2 GLY 6 2HA GLY 6 -7.100 -11.352 -11.219 36 HA3 GLY 6 1HA GLY 6 -7.769 -12.978 -11.307 37 H THR 7 H THR 7 -5.873 -12.460 -8.540 38 HA THR 7 HA THR 7 -8.077 -12.819 -6.773 39 HB THR 7 HB THR 7 -5.621 -11.681 -5.617 40 HG1 THR 7 1HG THR 7 -4.824 -12.791 -7.469 41 HG21 THR 7 1HG2 THR 7 -7.017 -14.343 -5.239 42 HG22 THR 7 2HG2 THR 7 -7.451 -12.866 -4.377 43 HG23 THR 7 3HG2 THR 7 -5.859 -13.590 -4.141 44 H LEU 8 H LEU 8 -8.762 -11.347 -5.088 45 HA LEU 8 HA LEU 8 -8.287 -8.496 -5.639 46 HB2 LEU 8 2HB LEU 8 -10.484 -9.554 -6.680 47 HB3 LEU 8 1HB LEU 8 -11.082 -9.359 -5.031 48 HG LEU 8 HG LEU 8 -10.029 -6.945 -5.268 49 HD11 LEU 8 1HD1 LEU 8 -10.873 -7.274 -8.117 50 HD12 LEU 8 2HD1 LEU 8 -9.253 -7.810 -7.671 51 HD13 LEU 8 3HD1 LEU 8 -9.728 -6.132 -7.411 52 HD21 LEU 8 1HD2 LEU 8 -12.334 -7.046 -4.869 53 HD22 LEU 8 2HD2 LEU 8 -12.641 -8.014 -6.311 54 HD23 LEU 8 3HD2 LEU 8 -12.279 -6.293 -6.463 55 H ASP 9 H ASP 9 -7.672 -7.555 -3.809 56 HA ASP 9 HA ASP 9 -8.963 -8.352 -1.287 57 HB2 ASP 9 2HB ASP 9 -6.590 -8.052 -0.258 58 HB3 ASP 9 1HB ASP 9 -6.990 -9.576 -1.047 59 H VAL 10 H VAL 10 -9.114 -6.720 0.249 60 HA VAL 10 HA VAL 10 -8.520 -4.010 -0.764 61 HB VAL 10 HB VAL 10 -10.564 -5.017 1.223 62 HG11 VAL 10 1HG1 VAL 10 -10.067 -2.985 2.203 63 HG12 VAL 10 2HG1 VAL 10 -11.199 -2.436 0.968 64 HG13 VAL 10 3HG1 VAL 10 -9.463 -2.288 0.700 65 HG21 VAL 10 1HG2 VAL 10 -12.143 -4.055 -0.418 66 HG22 VAL 10 2HG2 VAL 10 -11.124 -5.282 -1.171 67 HG23 VAL 10 3HG2 VAL 10 -10.788 -3.571 -1.437 68 H PHE 11 H PHE 11 -7.501 -2.500 0.561 69 HA PHE 11 HA PHE 11 -6.619 -3.301 3.220 70 HB2 PHE 11 2HB PHE 11 -4.322 -3.303 2.813 71 HB3 PHE 11 1HB PHE 11 -4.954 -4.132 1.390 72 HD1 PHE 11 1HD PHE 11 -5.764 -2.413 -0.543 73 HD2 PHE 11 2HD PHE 11 -2.748 -1.623 2.414 74 HE1 PHE 11 1HE PHE 11 -4.778 -0.673 -2.010 75 HE2 PHE 11 2HE PHE 11 -1.766 0.116 0.946 76 HZ PHE 11 HZ PHE 11 -2.781 0.591 -1.265 77 H VAL 12 H VAL 12 -5.985 -1.576 4.512 78 HA VAL 12 HA VAL 12 -6.547 1.098 3.381 79 HB VAL 12 HB VAL 12 -8.095 0.443 5.157 80 HG11 VAL 12 1HG1 VAL 12 -7.392 -0.815 6.883 81 HG12 VAL 12 2HG1 VAL 12 -6.316 0.481 7.408 82 HG13 VAL 12 3HG1 VAL 12 -5.745 -0.731 6.259 83 HG21 VAL 12 1HG2 VAL 12 -7.914 2.418 6.436 84 HG22 VAL 12 2HG2 VAL 12 -7.047 2.817 4.953 85 HG23 VAL 12 3HG2 VAL 12 -6.151 2.381 6.408 86 H ALA 13 H ALA 13 -5.316 2.898 4.412 87 HA ALA 13 HA ALA 13 -2.792 2.241 5.649 88 HB1 ALA 13 1HB ALA 13 -3.019 2.841 2.776 89 HB2 ALA 13 2HB ALA 13 -1.700 2.083 3.670 90 HB3 ALA 13 3HB ALA 13 -1.849 3.841 3.635 91 H ALA 14 H ALA 14 -2.824 3.630 7.243 92 HA ALA 14 HA ALA 14 -3.365 6.472 6.672 93 HB1 ALA 14 1HB ALA 14 -5.018 6.626 8.199 94 HB2 ALA 14 2HB ALA 14 -4.151 5.620 9.361 95 HB3 ALA 14 3HB ALA 14 -5.110 4.869 8.084 96 H GLY 15 H GLY 15 -1.819 7.798 7.401 97 HA2 GLY 15 2HA GLY 15 -0.184 7.012 9.705 98 HA3 GLY 15 1HA GLY 15 0.646 7.302 8.179 99 H TRP 16 H TRP 16 1.760 8.991 9.429 100 HA TRP 16 HA TRP 16 0.405 11.548 9.089 101 HB2 TRP 16 2HB TRP 16 0.565 12.287 11.307 102 HB3 TRP 16 1HB TRP 16 -0.004 10.626 11.480 103 HD1 TRP 16 HD TRP 16 2.523 8.949 11.210 104 HE1 TRP 16 1HE TRP 16 4.453 9.105 12.911 105 HE3 TRP 16 3HE TRP 16 1.586 13.564 13.187 106 HZ2 TRP 16 2HZ TRP 16 5.467 10.945 14.854 107 HZ3 TRP 16 3HZ TRP 16 3.049 14.492 14.959 108 HH2 TRP 16 HH TRP 16 4.984 13.190 15.795 109 H ASN 17 H ASN 17 1.919 13.378 9.402 110 HA ASN 17 HA ASN 17 4.716 12.582 8.837 111 HB2 ASN 17 2HB ASN 17 3.362 13.576 6.907 112 HB3 ASN 17 1HB ASN 17 3.396 15.090 7.809 113 HD21 ASN 17 1HD2 ASN 17 4.683 15.029 5.323 114 HD22 ASN 17 2HD2 ASN 17 6.365 15.064 5.549 115 H THR 18 H THR 18 6.354 13.822 9.747 116 HA THR 18 HA THR 18 6.076 14.777 12.303 117 HB THR 18 HB THR 18 8.120 16.345 11.372 118 HG1 THR 18 1HG THR 18 9.017 15.381 9.657 119 HG21 THR 18 1HG2 THR 18 8.287 14.726 13.188 120 HG22 THR 18 2HG2 THR 18 9.569 14.421 12.016 121 HG23 THR 18 3HG2 THR 18 8.138 13.390 12.045 122 H ASP 19 H ASP 19 4.988 16.256 9.431 123 HA ASP 19 HA ASP 19 5.047 18.979 10.376 124 HB2 ASP 19 2HB ASP 19 4.875 17.932 7.911 125 HB3 ASP 19 1HB ASP 19 3.158 18.172 8.230 126 H ASN 20 H ASN 20 3.524 16.586 11.723 127 HA ASN 20 HA ASN 20 1.661 16.386 13.052 128 HB2 ASN 20 2HB ASN 20 2.406 18.808 13.584 129 HB3 ASN 20 1HB ASN 20 1.061 19.290 12.552 130 HD21 ASN 20 1HD2 ASN 20 -0.473 16.784 13.434 131 HD22 ASN 20 2HD2 ASN 20 -1.050 17.177 14.982 132 H THR 21 H THR 21 1.570 16.234 10.040 133 HA THR 21 HA THR 21 -1.280 16.852 9.593 134 HB THR 21 HB THR 21 -0.676 16.388 7.172 135 HG1 THR 21 1HG THR 21 1.682 15.849 8.448 136 HG21 THR 21 1HG2 THR 21 -0.891 18.665 7.855 137 HG22 THR 21 2HG2 THR 21 0.639 18.568 6.984 138 HG23 THR 21 3HG2 THR 21 0.629 18.613 8.747 139 H ILE 22 H ILE 22 -2.736 15.274 9.065 140 HA ILE 22 HA ILE 22 -1.818 12.500 9.445 141 HB ILE 22 HB ILE 22 -4.553 12.387 9.436 142 HG12 ILE 22 2HG1 ILE 22 -3.815 14.943 10.882 143 HG13 ILE 22 1HG1 ILE 22 -4.510 14.935 9.261 144 HG21 ILE 22 1HG2 ILE 22 -2.693 12.973 11.759 145 HG22 ILE 22 2HG2 ILE 22 -3.067 11.379 11.103 146 HG23 ILE 22 3HG2 ILE 22 -4.323 12.317 11.911 147 HD11 ILE 22 1HD1 ILE 22 -5.956 14.913 11.624 148 HD12 ILE 22 2HD1 ILE 22 -5.972 13.218 11.134 149 HD13 ILE 22 3HD1 ILE 22 -6.582 14.460 10.038 150 H GLU 23 H GLU 23 -1.681 11.196 7.742 151 HA GLU 23 HA GLU 23 -3.008 11.998 5.234 152 HB2 GLU 23 2HB GLU 23 -0.839 9.923 5.568 153 HB3 GLU 23 1HB GLU 23 -1.363 10.713 4.080 154 HG2 GLU 23 2HG GLU 23 -0.578 12.884 4.962 155 HG3 GLU 23 1HG GLU 23 -0.037 12.086 6.438 156 H ILE 24 H ILE 24 -4.454 10.693 4.225 157 HA ILE 24 HA ILE 24 -5.067 8.086 5.490 158 HB ILE 24 HB ILE 24 -7.156 9.842 4.217 159 HG12 ILE 24 2HG1 ILE 24 -6.240 9.809 7.111 160 HG13 ILE 24 1HG1 ILE 24 -6.149 11.177 6.001 161 HG21 ILE 24 1HG2 ILE 24 -8.631 8.294 5.021 162 HG22 ILE 24 2HG2 ILE 24 -7.707 8.034 6.500 163 HG23 ILE 24 3HG2 ILE 24 -7.219 7.239 5.003 164 HD11 ILE 24 1HD1 ILE 24 -8.629 9.871 7.136 165 HD12 ILE 24 2HD1 ILE 24 -8.685 10.971 5.759 166 HD13 ILE 24 3HD1 ILE 24 -8.105 11.545 7.323 167 H THR 25 H THR 25 -5.173 6.392 4.142 168 HA THR 25 HA THR 25 -5.686 6.814 1.293 169 HB THR 25 HB THR 25 -3.633 5.126 1.002 170 HG1 THR 25 1HG THR 25 -2.338 6.728 2.764 171 HG21 THR 25 1HG2 THR 25 -2.247 7.115 0.458 172 HG22 THR 25 2HG2 THR 25 -3.418 8.135 1.292 173 HG23 THR 25 3HG2 THR 25 -3.890 7.262 -0.165 174 H GLY 26 H GLY 26 -6.475 4.989 0.237 175 HA2 GLY 26 2HA GLY 26 -6.475 2.368 1.318 176 HA3 GLY 26 1HA GLY 26 -7.992 3.172 1.715 177 H GLY 27 H GLY 27 -7.724 0.875 0.034 178 HA2 GLY 27 2HA GLY 27 -9.449 1.444 -2.047 179 HA3 GLY 27 1HA GLY 27 -7.834 1.607 -2.728 180 H ALA 28 H ALA 28 -8.065 -0.183 -4.087 181 HA ALA 28 HA ALA 28 -7.995 -2.798 -2.707 182 HB1 ALA 28 1HB ALA 28 -8.946 -3.289 -5.282 183 HB2 ALA 28 2HB ALA 28 -9.827 -1.855 -4.753 184 HB3 ALA 28 3HB ALA 28 -9.886 -3.332 -3.791 185 H THR 29 H THR 29 -6.977 -4.511 -4.101 186 HA THR 29 HA THR 29 -5.014 -3.476 -6.017 187 HB THR 29 HB THR 29 -3.376 -3.530 -4.474 188 HG1 THR 29 1HG THR 29 -3.291 -5.675 -5.547 189 HG21 THR 29 1HG2 THR 29 -3.725 -4.602 -2.220 190 HG22 THR 29 2HG2 THR 29 -5.327 -5.095 -2.770 191 HG23 THR 29 3HG2 THR 29 -4.930 -3.383 -2.634 192 H TYR 30 H TYR 30 -4.297 -4.997 -7.505 193 HA TYR 30 HA TYR 30 -5.851 -7.505 -7.547 194 HB2 TYR 30 2HB TYR 30 -4.682 -5.744 -9.676 195 HB3 TYR 30 1HB TYR 30 -4.968 -7.452 -10.014 196 HD1 TYR 30 1HD TYR 30 -6.617 -4.332 -8.807 197 HD2 TYR 30 2HD TYR 30 -7.150 -8.266 -10.448 198 HE1 TYR 30 1HE TYR 30 -9.029 -3.863 -9.148 199 HE2 TYR 30 2HE TYR 30 -9.562 -7.797 -10.789 200 HH TYR 30 HH TYR 30 -11.265 -6.373 -10.145 201 H GLN 31 H GLN 31 -4.845 -9.383 -7.230 202 HA GLN 31 HA GLN 31 -1.904 -9.406 -7.167 203 HB2 GLN 31 2HB GLN 31 -3.700 -10.355 -5.352 204 HB3 GLN 31 1HB GLN 31 -3.377 -11.809 -6.297 205 HG2 GLN 31 2HG GLN 31 -0.940 -11.447 -5.988 206 HG3 GLN 31 1HG GLN 31 -1.292 -10.035 -4.992 207 HE21 GLN 31 1HE2 GLN 31 -3.405 -12.846 -4.807 208 HE22 GLN 31 2HE2 GLN 31 -2.896 -13.355 -3.271 209 H LEU 32 H LEU 32 -1.144 -9.807 -9.172 210 HA LEU 32 HA LEU 32 -2.425 -11.878 -10.813 211 HB2 LEU 32 2HB LEU 32 -0.317 -9.794 -11.405 212 HB3 LEU 32 1HB LEU 32 -0.776 -11.053 -12.553 213 HG LEU 32 HG LEU 32 -3.006 -9.526 -11.318 214 HD11 LEU 32 1HD1 LEU 32 -0.960 -8.328 -13.184 215 HD12 LEU 32 2HD1 LEU 32 -1.661 -7.628 -11.726 216 HD13 LEU 32 3HD1 LEU 32 -2.633 -7.771 -13.189 217 HD21 LEU 32 1HD2 LEU 32 -2.382 -10.331 -14.177 218 HD22 LEU 32 2HD2 LEU 32 -3.940 -9.789 -13.553 219 HD23 LEU 32 3HD2 LEU 32 -3.271 -11.337 -13.033 220 H SER 33 H SER 33 0.867 -10.976 -9.751 221 HA SER 33 HA SER 33 1.494 -13.822 -9.436 222 HB2 SER 33 2HB SER 33 2.407 -12.236 -11.636 223 HB3 SER 33 1HB SER 33 3.785 -12.617 -10.607 224 HG SER 33 HG SER 33 1.899 -14.604 -11.245 225 HA PRO 34 HA PRO 34 3.740 -12.420 -5.923 226 HB2 PRO 34 2HB PRO 34 5.918 -14.076 -5.879 227 HB3 PRO 34 1HB PRO 34 4.280 -14.609 -5.458 228 HG2 PRO 34 2HG PRO 34 5.802 -14.984 -7.986 229 HG3 PRO 34 1HG PRO 34 4.715 -16.103 -7.143 230 HD2 PRO 34 2HD PRO 34 3.957 -14.656 -9.346 231 HD3 PRO 34 1HD PRO 34 2.819 -15.184 -8.088 232 H TYR 35 H TYR 35 5.025 -12.054 -9.017 233 HA TYR 35 HA TYR 35 7.611 -11.012 -8.372 234 HB2 TYR 35 2HB TYR 35 6.144 -11.615 -10.728 235 HB3 TYR 35 1HB TYR 35 6.630 -9.923 -10.827 236 HD1 TYR 35 1HD TYR 35 7.771 -13.395 -10.766 237 HD2 TYR 35 2HD TYR 35 9.026 -9.288 -10.665 238 HE1 TYR 35 1HE TYR 35 10.093 -14.091 -11.294 239 HE2 TYR 35 2HE TYR 35 11.346 -9.983 -11.193 240 HH TYR 35 HH TYR 35 12.565 -11.777 -12.100 241 H ILE 36 H ILE 36 4.775 -9.310 -9.726 242 HA ILE 36 HA ILE 36 5.360 -7.041 -7.935 243 HB ILE 36 HB ILE 36 4.705 -5.592 -9.998 244 HG12 ILE 36 2HG1 ILE 36 6.005 -7.779 -11.569 245 HG13 ILE 36 1HG1 ILE 36 4.283 -7.934 -11.220 246 HG21 ILE 36 1HG2 ILE 36 7.179 -5.827 -10.806 247 HG22 ILE 36 2HG2 ILE 36 7.327 -6.971 -9.470 248 HG23 ILE 36 3HG2 ILE 36 6.873 -5.296 -9.152 249 HD11 ILE 36 1HD1 ILE 36 5.075 -6.653 -13.384 250 HD12 ILE 36 2HD1 ILE 36 5.331 -5.321 -12.258 251 HD13 ILE 36 3HD1 ILE 36 3.726 -6.028 -12.436 252 H MET 37 H MET 37 3.590 -6.043 -7.117 253 HA MET 37 HA MET 37 0.969 -7.148 -7.896 254 HB2 MET 37 2HB MET 37 1.367 -5.485 -5.443 255 HB3 MET 37 1HB MET 37 0.253 -6.825 -5.722 256 HG2 MET 37 2HG MET 37 2.404 -8.275 -5.924 257 HG3 MET 37 1HG MET 37 3.202 -6.926 -5.116 258 HE1 MET 37 1HE MET 37 1.667 -6.575 -1.754 259 HE2 MET 37 2HE MET 37 0.780 -5.844 -3.089 260 HE3 MET 37 3HE MET 37 2.542 -5.867 -3.117 261 H VAL 38 H VAL 38 -0.876 -5.663 -7.882 262 HA VAL 38 HA VAL 38 -0.110 -3.013 -8.940 263 HB VAL 38 HB VAL 38 -2.644 -4.614 -9.359 264 HG11 VAL 38 1HG1 VAL 38 -1.714 -1.894 -10.282 265 HG12 VAL 38 2HG1 VAL 38 -3.249 -2.333 -9.533 266 HG13 VAL 38 3HG1 VAL 38 -2.911 -2.814 -11.195 267 HG21 VAL 38 1HG2 VAL 38 -0.913 -5.670 -10.602 268 HG22 VAL 38 2HG2 VAL 38 -0.168 -4.128 -11.023 269 HG23 VAL 38 3HG2 VAL 38 -1.700 -4.597 -11.758 270 H LYS 39 H LYS 39 -0.360 -1.405 -7.537 271 HA LYS 39 HA LYS 39 -2.462 -1.614 -5.477 272 HB2 LYS 39 2HB LYS 39 0.127 -0.075 -5.613 273 HB3 LYS 39 1HB LYS 39 -1.126 0.309 -4.433 274 HG2 LYS 39 2HG LYS 39 -0.335 -2.554 -4.697 275 HG3 LYS 39 1HG LYS 39 0.808 -1.467 -3.906 276 HD2 LYS 39 2HD LYS 39 -0.806 -0.825 -2.255 277 HD3 LYS 39 1HD LYS 39 -2.116 -1.609 -3.140 278 HE2 LYS 39 2HE LYS 39 -1.339 -3.774 -2.611 279 HE3 LYS 39 1HE LYS 39 0.263 -3.185 -2.165 280 HZ1 LYS 39 1HZ LYS 39 -1.141 -3.748 -0.239 281 HZ2 LYS 39 2HZ LYS 39 -2.234 -2.533 -0.699 282 HZ3 LYS 39 3HZ LYS 39 -0.651 -2.125 -0.240 283 H ALA 40 H ALA 40 -4.132 -0.228 -5.460 284 HA ALA 40 HA ALA 40 -3.976 2.328 -6.841 285 HB1 ALA 40 1HB ALA 40 -4.931 0.124 -8.252 286 HB2 ALA 40 2HB ALA 40 -5.200 1.820 -8.655 287 HB3 ALA 40 3HB ALA 40 -6.389 0.943 -7.691 288 H GLY 41 H GLY 41 -5.095 3.807 -5.734 289 HA2 GLY 41 2HA GLY 41 -7.611 3.290 -4.480 290 HA3 GLY 41 1HA GLY 41 -6.311 3.364 -3.294 291 H TYR 42 H TYR 42 -7.845 5.227 -2.673 292 HA TYR 42 HA TYR 42 -7.018 7.690 -4.094 293 HB2 TYR 42 2HB TYR 42 -9.150 8.568 -2.796 294 HB3 TYR 42 1HB TYR 42 -9.310 7.744 -4.345 295 HD1 TYR 42 1HD TYR 42 -9.674 5.191 -4.314 296 HD2 TYR 42 2HD TYR 42 -10.188 7.700 -0.866 297 HE1 TYR 42 1HE TYR 42 -11.045 3.429 -3.236 298 HE2 TYR 42 2HE TYR 42 -11.560 5.937 0.213 299 HH TYR 42 HH TYR 42 -13.051 3.663 -1.179 300 H GLY 43 H GLY 43 -6.886 9.624 -2.689 301 HA2 GLY 43 2HA GLY 43 -6.100 8.974 0.088 302 HA3 GLY 43 1HA GLY 43 -5.057 9.954 -0.941 303 H TRP 44 H TRP 44 -6.557 10.533 1.611 304 HA TRP 44 HA TRP 44 -7.789 13.043 0.685 305 HB2 TRP 44 2HB TRP 44 -9.321 10.937 1.561 306 HB3 TRP 44 1HB TRP 44 -9.086 11.867 3.041 307 HD1 TRP 44 HD TRP 44 -10.225 12.406 -0.610 308 HE1 TRP 44 1HE TRP 44 -11.931 14.340 -0.643 309 HE3 TRP 44 3HE TRP 44 -10.080 13.796 4.302 310 HZ2 TRP 44 2HZ TRP 44 -13.082 16.227 1.175 311 HZ3 TRP 44 3HZ TRP 44 -11.490 15.661 5.123 312 HH2 TRP 44 HH TRP 44 -12.989 16.877 3.567 313 H ASN 45 H ASN 45 -7.728 14.750 2.217 314 HA ASN 45 HA ASN 45 -6.383 14.364 4.753 315 HB2 ASN 45 2HB ASN 45 -4.908 16.440 3.461 316 HB3 ASN 45 1HB ASN 45 -4.310 14.921 4.125 317 HD21 ASN 45 1HD2 ASN 45 -4.355 12.999 2.627 318 HD22 ASN 45 2HD2 ASN 45 -4.259 13.261 0.953 319 H ASN 46 H ASN 46 -6.181 16.449 5.945 320 HA ASN 46 HA ASN 46 -8.537 17.808 6.194 321 HB2 ASN 46 2HB ASN 46 -5.864 18.129 7.158 322 HB3 ASN 46 1HB ASN 46 -6.485 19.713 6.695 323 HD21 ASN 46 1HD2 ASN 46 -8.809 20.176 7.566 324 HD22 ASN 46 2HD2 ASN 46 -9.157 19.612 9.130 325 H SER 47 H SER 47 -6.250 18.108 3.656 326 HA SER 47 HA SER 47 -7.850 20.284 2.485 327 HB2 SER 47 2HB SER 47 -5.363 20.763 3.550 328 HB3 SER 47 1HB SER 47 -4.988 20.444 1.860 329 HG SER 47 HG SER 47 -6.122 22.161 1.270 330 H SER 48 H SER 48 -6.562 20.611 0.126 331 HA SER 48 HA SER 48 -6.305 19.714 -1.974 332 HB2 SER 48 2HB SER 48 -5.723 17.028 -0.773 333 HB3 SER 48 1HB SER 48 -5.020 17.787 -2.198 334 HG SER 48 HG SER 48 -4.363 19.421 -0.401 335 H LEU 49 H LEU 49 -8.048 19.419 -3.189 336 HA LEU 49 HA LEU 49 -10.497 18.460 -2.487 337 HB2 LEU 49 2HB LEU 49 -9.044 18.532 -5.103 338 HB3 LEU 49 1HB LEU 49 -10.606 17.718 -5.014 339 HG LEU 49 HG LEU 49 -11.638 19.747 -4.100 340 HD11 LEU 49 1HD1 LEU 49 -8.798 20.770 -4.228 341 HD12 LEU 49 2HD1 LEU 49 -9.882 20.739 -2.838 342 HD13 LEU 49 3HD1 LEU 49 -10.182 21.862 -4.164 343 HD21 LEU 49 1HD2 LEU 49 -10.014 20.034 -6.633 344 HD22 LEU 49 2HD2 LEU 49 -11.142 21.285 -6.109 345 HD23 LEU 49 3HD2 LEU 49 -11.730 19.664 -6.475 346 H ASN 50 H ASN 50 -8.679 16.426 -4.730 347 HA ASN 50 HA ASN 50 -9.067 14.111 -2.954 348 HB2 ASN 50 2HB ASN 50 -10.867 14.493 -4.877 349 HB3 ASN 50 1HB ASN 50 -9.614 13.741 -5.863 350 HD21 ASN 50 1HD2 ASN 50 -12.324 12.705 -4.768 351 HD22 ASN 50 2HD2 ASN 50 -11.917 11.226 -4.042 352 H ARG 51 H ARG 51 -7.763 12.242 -3.586 353 HA ARG 51 HA ARG 51 -5.468 12.902 -5.316 354 HB2 ARG 51 2HB ARG 51 -4.860 13.311 -2.932 355 HB3 ARG 51 1HB ARG 51 -5.230 11.622 -2.584 356 HG2 ARG 51 2HG ARG 51 -3.522 10.887 -4.173 357 HG3 ARG 51 1HG ARG 51 -3.183 12.560 -4.614 358 HD2 ARG 51 2HD ARG 51 -3.024 12.402 -1.784 359 HD3 ARG 51 1HD ARG 51 -2.116 11.036 -2.425 360 HE ARG 51 HE ARG 51 -1.550 13.586 -3.700 361 HH11 ARG 51 1HH1 ARG 51 0.580 14.328 -3.433 362 HH12 ARG 51 2HH1 ARG 51 1.612 13.584 -2.257 363 HH21 ARG 51 1HH2 ARG 51 -0.790 11.314 -1.203 364 HH22 ARG 51 2HH2 ARG 51 0.835 11.877 -0.995 365 H PHE 52 H PHE 52 -4.440 11.111 -6.266 366 HA PHE 52 HA PHE 52 -5.764 8.499 -5.906 367 HB2 PHE 52 2HB PHE 52 -5.993 10.191 -8.194 368 HB3 PHE 52 1HB PHE 52 -5.032 8.782 -8.644 369 HD1 PHE 52 1HD PHE 52 -6.023 6.629 -8.865 370 HD2 PHE 52 2HD PHE 52 -8.244 9.849 -7.090 371 HE1 PHE 52 1HE PHE 52 -8.080 5.245 -8.927 372 HE2 PHE 52 2HE PHE 52 -10.301 8.464 -7.151 373 HZ PHE 52 HZ PHE 52 -10.219 6.162 -8.070 374 H GLU 53 H GLU 53 -4.220 7.163 -5.225 375 HA GLU 53 HA GLU 53 -1.454 7.559 -6.142 376 HB2 GLU 53 2HB GLU 53 -2.036 7.307 -3.679 377 HB3 GLU 53 1HB GLU 53 -2.422 5.624 -4.036 378 HG2 GLU 53 2HG GLU 53 -0.090 5.484 -5.101 379 HG3 GLU 53 1HG GLU 53 0.243 7.019 -4.301 380 H PHE 54 H PHE 54 -0.368 6.084 -7.352 381 HA PHE 54 HA PHE 54 -1.532 3.453 -7.857 382 HB2 PHE 54 2HB PHE 54 -1.775 3.692 -10.187 383 HB3 PHE 54 1HB PHE 54 -2.484 5.166 -9.531 384 HD1 PHE 54 1HD PHE 54 -1.147 7.292 -9.509 385 HD2 PHE 54 2HD PHE 54 0.197 3.754 -11.540 386 HE1 PHE 54 1HE PHE 54 0.478 8.651 -10.801 387 HE2 PHE 54 2HE PHE 54 1.821 5.112 -12.832 388 HZ PHE 54 HZ PHE 54 1.962 7.561 -12.462 389 H GLY 55 H GLY 55 0.026 1.962 -8.048 390 HA2 GLY 55 2HA GLY 55 2.521 2.374 -9.339 391 HA3 GLY 55 1HA GLY 55 2.722 2.495 -7.594 392 H GLY 56 H GLY 56 4.009 0.604 -7.554 393 HA2 GLY 56 2HA GLY 56 2.424 -1.878 -7.646 394 HA3 GLY 56 1HA GLY 56 3.963 -1.814 -8.501 395 H GLY 57 H GLY 57 3.171 -3.521 -6.253 396 HA2 GLY 57 2HA GLY 57 4.945 -2.541 -4.108 397 HA3 GLY 57 1HA GLY 57 3.726 -3.799 -3.927 398 H LEU 58 H LEU 58 6.302 -4.218 -3.037 399 HA LEU 58 HA LEU 58 7.248 -6.289 -4.917 400 HB2 LEU 58 2HB LEU 58 8.671 -3.951 -4.017 401 HB3 LEU 58 1HB LEU 58 9.466 -5.396 -3.396 402 HG LEU 58 HG LEU 58 10.351 -4.751 -5.616 403 HD11 LEU 58 1HD1 LEU 58 9.441 -7.292 -4.801 404 HD12 LEU 58 2HD1 LEU 58 10.683 -6.940 -6.002 405 HD13 LEU 58 3HD1 LEU 58 9.006 -7.151 -6.505 406 HD21 LEU 58 1HD2 LEU 58 7.926 -5.607 -7.058 407 HD22 LEU 58 2HD2 LEU 58 9.023 -4.270 -7.398 408 HD23 LEU 58 3HD2 LEU 58 7.749 -4.079 -6.195 409 H GLN 59 H GLN 59 7.439 -8.243 -4.032 410 HA GLN 59 HA GLN 59 7.937 -8.522 -1.160 411 HB2 GLN 59 2HB GLN 59 6.041 -9.928 -0.764 412 HB3 GLN 59 1HB GLN 59 5.434 -8.466 -1.542 413 HG2 GLN 59 2HG GLN 59 5.696 -9.744 -3.758 414 HG3 GLN 59 1HG GLN 59 5.860 -11.192 -2.766 415 HE21 GLN 59 1HE2 GLN 59 3.630 -10.755 -4.571 416 HE22 GLN 59 2HE2 GLN 59 2.227 -10.628 -3.624 417 H TYR 60 H TYR 60 8.373 -10.828 -0.577 418 HA TYR 60 HA TYR 60 9.325 -12.424 -2.869 419 HB2 TYR 60 2HB TYR 60 10.942 -11.140 -0.834 420 HB3 TYR 60 1HB TYR 60 11.156 -12.890 -0.809 421 HD1 TYR 60 1HD TYR 60 11.750 -14.096 -2.950 422 HD2 TYR 60 2HD TYR 60 11.812 -9.814 -2.613 423 HE1 TYR 60 1HE TYR 60 13.151 -13.954 -4.992 424 HE2 TYR 60 2HE TYR 60 13.213 -9.673 -4.654 425 HH TYR 60 HH TYR 60 14.661 -10.993 -5.983 426 H LYS 61 H LYS 61 9.580 -14.688 -2.410 427 HA LYS 61 HA LYS 61 7.852 -15.595 -0.187 428 HB2 LYS 61 2HB LYS 61 8.500 -17.333 -2.534 429 HB3 LYS 61 1HB LYS 61 7.048 -17.296 -1.532 430 HG2 LYS 61 2HG LYS 61 6.707 -14.909 -2.517 431 HG3 LYS 61 1HG LYS 61 7.843 -15.435 -3.760 432 HD2 LYS 61 2HD LYS 61 5.899 -16.157 -4.756 433 HD3 LYS 61 1HD LYS 61 6.223 -17.576 -3.760 434 HE2 LYS 61 2HE LYS 61 4.801 -16.581 -1.959 435 HE3 LYS 61 1HE LYS 61 4.400 -15.259 -3.057 436 HZ1 LYS 61 1HZ LYS 61 4.035 -17.796 -4.295 437 HZ2 LYS 61 2HZ LYS 61 2.928 -16.522 -4.101 438 HZ3 LYS 61 3HZ LYS 61 3.122 -17.678 -2.871 439 H VAL 62 H VAL 62 9.224 -16.048 1.454 440 HA VAL 62 HA VAL 62 11.283 -18.095 0.939 441 HB VAL 62 HB VAL 62 12.654 -16.208 1.119 442 HG11 VAL 62 1HG1 VAL 62 10.547 -15.258 3.044 443 HG12 VAL 62 2HG1 VAL 62 11.215 -14.437 1.634 444 HG13 VAL 62 3HG1 VAL 62 12.169 -14.567 3.112 445 HG21 VAL 62 1HG2 VAL 62 12.982 -18.078 2.913 446 HG22 VAL 62 2HG2 VAL 62 12.389 -16.866 4.048 447 HG23 VAL 62 3HG2 VAL 62 13.853 -16.558 3.114 448 H THR 63 H THR 63 9.007 -16.568 3.119 449 HA THR 63 HA THR 63 9.066 -18.980 4.805 450 HB THR 63 HB THR 63 8.402 -16.904 6.535 451 HG1 THR 63 1HG THR 63 10.344 -16.137 4.650 452 HG21 THR 63 1HG2 THR 63 9.863 -18.880 6.994 453 HG22 THR 63 2HG2 THR 63 10.577 -17.371 7.558 454 HG23 THR 63 3HG2 THR 63 11.145 -18.109 6.062 455 HA PRO 64 HA PRO 64 4.670 -19.231 4.562 456 HB2 PRO 64 2HB PRO 64 4.501 -18.346 7.423 457 HB3 PRO 64 1HB PRO 64 3.692 -19.703 6.613 458 HG2 PRO 64 2HG PRO 64 5.818 -20.083 8.169 459 HG3 PRO 64 1HG PRO 64 5.548 -21.046 6.706 460 HD2 PRO 64 2HD PRO 64 7.556 -18.926 7.206 461 HD3 PRO 64 1HD PRO 64 7.604 -20.271 6.050 462 H ASP 65 H ASP 65 6.243 -16.354 5.562 463 HA ASP 65 HA ASP 65 4.925 -14.525 4.090 464 HB2 ASP 65 2HB ASP 65 3.225 -15.280 6.397 465 HB3 ASP 65 1HB ASP 65 3.419 -13.552 6.132 466 H LEU 66 H LEU 66 7.235 -14.061 4.423 467 HA LEU 66 HA LEU 66 7.548 -11.900 6.328 468 HB2 LEU 66 2HB LEU 66 8.295 -14.340 7.277 469 HB3 LEU 66 1HB LEU 66 9.780 -13.842 6.477 470 HG LEU 66 HG LEU 66 9.861 -13.104 8.786 471 HD11 LEU 66 1HD1 LEU 66 10.542 -10.918 8.393 472 HD12 LEU 66 2HD1 LEU 66 9.192 -10.578 7.313 473 HD13 LEU 66 3HD1 LEU 66 10.539 -11.572 6.756 474 HD21 LEU 66 1HD2 LEU 66 8.119 -12.175 9.921 475 HD22 LEU 66 2HD2 LEU 66 7.135 -12.860 8.630 476 HD23 LEU 66 3HD2 LEU 66 7.638 -11.173 8.555 477 H GLU 67 H GLU 67 8.128 -10.405 4.848 478 HA GLU 67 HA GLU 67 10.678 -10.655 3.550 479 HB2 GLU 67 2HB GLU 67 9.581 -10.241 1.230 480 HB3 GLU 67 1HB GLU 67 9.615 -11.888 1.860 481 HG2 GLU 67 2HG GLU 67 7.278 -10.116 2.499 482 HG3 GLU 67 1HG GLU 67 7.366 -10.885 0.916 483 HA PRO 68 HA PRO 68 10.356 -6.252 3.915 484 HB2 PRO 68 2HB PRO 68 11.905 -5.433 1.774 485 HB3 PRO 68 1HB PRO 68 12.555 -5.976 3.331 486 HG2 PRO 68 2HG PRO 68 12.307 -7.450 0.765 487 HG3 PRO 68 1HG PRO 68 13.588 -7.510 1.988 488 HD2 PRO 68 2HD PRO 68 11.697 -9.456 1.758 489 HD3 PRO 68 1HD PRO 68 12.443 -9.027 3.313 490 H TYR 69 H TYR 69 9.441 -4.355 2.878 491 HA TYR 69 HA TYR 69 7.752 -5.011 0.533 492 HB2 TYR 69 2HB TYR 69 6.575 -4.647 2.762 493 HB3 TYR 69 1HB TYR 69 7.088 -2.963 2.649 494 HD1 TYR 69 1HD TYR 69 5.392 -5.629 0.629 495 HD2 TYR 69 2HD TYR 69 5.751 -1.434 1.480 496 HE1 TYR 69 1HE TYR 69 3.501 -5.156 -0.903 497 HE2 TYR 69 2HE TYR 69 3.859 -0.962 -0.052 498 HH TYR 69 HH TYR 69 1.717 -2.637 -0.894 499 H ALA 70 H ALA 70 7.911 -3.743 -1.205 500 HA ALA 70 HA ALA 70 9.211 -1.107 -0.935 501 HB1 ALA 70 1HB ALA 70 10.225 -3.436 -2.334 502 HB2 ALA 70 2HB ALA 70 11.011 -1.888 -2.027 503 HB3 ALA 70 3HB ALA 70 9.976 -2.086 -3.441 504 H TRP 71 H TRP 71 7.979 0.437 -1.771 505 HA TRP 71 HA TRP 71 6.154 -0.240 -4.000 506 HB2 TRP 71 2HB TRP 71 4.543 0.062 -2.413 507 HB3 TRP 71 1HB TRP 71 5.587 1.044 -1.387 508 HD1 TRP 71 HD TRP 71 3.387 1.284 -4.519 509 HE1 TRP 71 1HE TRP 71 2.760 3.755 -4.894 510 HE3 TRP 71 3HE TRP 71 6.241 3.476 -0.897 511 HZ2 TRP 71 2HZ TRP 71 3.387 6.324 -3.803 512 HZ3 TRP 71 3HZ TRP 71 6.207 5.934 -0.587 513 HH2 TRP 71 HH TRP 71 4.785 7.361 -2.034 514 H ALA 72 H ALA 72 5.925 1.285 -5.599 515 HA ALA 72 HA ALA 72 7.245 3.878 -5.316 516 HB1 ALA 72 1HB ALA 72 8.889 3.571 -6.877 517 HB2 ALA 72 2HB ALA 72 7.952 2.385 -7.786 518 HB3 ALA 72 3HB ALA 72 8.777 1.907 -6.303 519 H GLY 73 H GLY 73 6.059 5.408 -6.270 520 HA2 GLY 73 2HA GLY 73 4.787 5.177 -8.777 521 HA3 GLY 73 1HA GLY 73 3.597 4.895 -7.508 522 H ALA 74 H ALA 74 2.574 6.856 -8.353 523 HA ALA 74 HA ALA 74 3.599 9.223 -6.965 524 HB1 ALA 74 1HB ALA 74 2.632 9.586 -9.775 525 HB2 ALA 74 2HB ALA 74 4.304 9.094 -9.497 526 HB3 ALA 74 3HB ALA 74 3.705 10.609 -8.820 527 H THR 75 H THR 75 1.984 10.880 -6.679 528 HA THR 75 HA THR 75 -0.746 9.762 -6.685 529 HB THR 75 HB THR 75 -1.219 11.097 -4.818 530 HG1 THR 75 1HG THR 75 -0.577 13.080 -5.301 531 HG21 THR 75 1HG2 THR 75 1.657 10.867 -4.152 532 HG22 THR 75 2HG2 THR 75 0.880 9.383 -4.705 533 HG23 THR 75 3HG2 THR 75 0.249 10.238 -3.298 534 H TYR 76 H TYR 76 -2.142 10.512 -8.135 535 HA TYR 76 HA TYR 76 -1.552 13.062 -9.488 536 HB2 TYR 76 2HB TYR 76 -1.843 11.449 -11.142 537 HB3 TYR 76 1HB TYR 76 -3.099 10.603 -10.239 538 HD1 TYR 76 1HD TYR 76 -2.344 13.595 -12.288 539 HD2 TYR 76 2HD TYR 76 -5.407 11.303 -10.332 540 HE1 TYR 76 1HE TYR 76 -4.082 14.894 -13.487 541 HE2 TYR 76 2HE TYR 76 -7.144 12.604 -11.531 542 HH TYR 76 HH TYR 76 -6.909 14.088 -14.063 543 H ASN 77 H ASN 77 -2.535 14.768 -8.610 544 HA ASN 77 HA ASN 77 -5.112 14.435 -7.257 545 HB2 ASN 77 2HB ASN 77 -3.750 17.079 -7.457 546 HB3 ASN 77 1HB ASN 77 -4.640 16.371 -6.110 547 HD21 ASN 77 1HD2 ASN 77 -3.441 15.202 -4.542 548 HD22 ASN 77 2HD2 ASN 77 -1.767 14.940 -4.647 549 H THR 78 H THR 78 -6.952 15.644 -7.798 550 HA THR 78 HA THR 78 -7.585 15.882 -10.491 551 HB THR 78 HB THR 78 -9.361 17.583 -9.514 552 HG1 THR 78 1HG THR 78 -9.603 17.070 -7.249 553 HG21 THR 78 1HG2 THR 78 -10.606 15.570 -8.597 554 HG22 THR 78 2HG2 THR 78 -9.141 14.633 -8.885 555 HG23 THR 78 3HG2 THR 78 -9.986 15.385 -10.238 556 H ASP 79 H ASP 79 -5.781 18.019 -8.483 557 HA ASP 79 HA ASP 79 -6.198 20.397 -10.052 558 HB2 ASP 79 2HB ASP 79 -4.422 19.598 -7.785 559 HB3 ASP 79 1HB ASP 79 -3.986 21.017 -8.734 560 H ASN 80 H ASN 80 -5.122 17.749 -11.215 561 HA ASN 80 HA ASN 80 -3.666 17.123 -12.878 562 HB2 ASN 80 2HB ASN 80 -2.944 19.983 -13.375 563 HB3 ASN 80 1HB ASN 80 -3.250 18.687 -14.531 564 HD21 ASN 80 1HD2 ASN 80 -5.718 17.776 -14.116 565 HD22 ASN 80 2HD2 ASN 80 -6.882 19.012 -14.097 566 H THR 81 H THR 81 -2.714 17.521 -10.125 567 HA THR 81 HA THR 81 0.088 18.317 -10.578 568 HB THR 81 HB THR 81 -0.434 17.645 -7.849 569 HG1 THR 81 1HG THR 81 -2.098 19.140 -7.469 570 HG21 THR 81 1HG2 THR 81 -0.060 20.320 -9.223 571 HG22 THR 81 2HG2 THR 81 1.246 19.249 -8.718 572 HG23 THR 81 3HG2 THR 81 0.196 19.989 -7.510 573 H LEU 82 H LEU 82 1.797 16.970 -9.815 574 HA LEU 82 HA LEU 82 1.081 14.129 -9.435 575 HB2 LEU 82 2HB LEU 82 2.508 15.319 -11.656 576 HB3 LEU 82 1HB LEU 82 3.526 14.159 -10.804 577 HG LEU 82 HG LEU 82 0.688 13.572 -11.687 578 HD11 LEU 82 1HD1 LEU 82 1.684 12.293 -13.520 579 HD12 LEU 82 2HD1 LEU 82 3.303 12.746 -12.984 580 HD13 LEU 82 3HD1 LEU 82 2.207 13.975 -13.620 581 HD21 LEU 82 1HD2 LEU 82 0.941 11.653 -10.529 582 HD22 LEU 82 2HD2 LEU 82 2.457 12.286 -9.889 583 HD23 LEU 82 3HD2 LEU 82 2.459 11.312 -11.359 584 H VAL 83 H VAL 83 2.404 12.977 -8.058 585 HA VAL 83 HA VAL 83 4.687 14.393 -6.850 586 HB VAL 83 HB VAL 83 2.544 12.979 -5.255 587 HG11 VAL 83 1HG1 VAL 83 5.239 13.686 -4.683 588 HG12 VAL 83 2HG1 VAL 83 4.025 13.066 -3.563 589 HG13 VAL 83 3HG1 VAL 83 4.210 14.806 -3.791 590 HG21 VAL 83 1HG2 VAL 83 1.563 15.004 -6.057 591 HG22 VAL 83 2HG2 VAL 83 3.065 15.904 -5.834 592 HG23 VAL 83 3HG2 VAL 83 2.138 15.374 -4.431 593 HA PRO 84 HA PRO 84 5.711 9.976 -7.657 594 HB2 PRO 84 2HB PRO 84 8.049 10.381 -8.973 595 HB3 PRO 84 1HB PRO 84 6.471 10.485 -9.779 596 HG2 PRO 84 2HG PRO 84 8.306 12.642 -8.931 597 HG3 PRO 84 1HG PRO 84 7.178 12.583 -10.293 598 HD2 PRO 84 2HD PRO 84 6.740 13.889 -7.832 599 HD3 PRO 84 1HD PRO 84 5.510 13.544 -9.065 600 H ALA 85 H ALA 85 6.627 8.858 -6.034 601 HA ALA 85 HA ALA 85 9.214 9.624 -4.959 602 HB1 ALA 85 1HB ALA 85 6.916 10.576 -3.678 603 HB2 ALA 85 2HB ALA 85 8.545 10.510 -3.009 604 HB3 ALA 85 3HB ALA 85 7.421 9.181 -2.725 605 H ALA 86 H ALA 86 9.719 8.035 -3.038 606 HA ALA 86 HA ALA 86 8.608 5.369 -3.646 607 HB1 ALA 86 1HB ALA 86 10.695 5.449 -4.840 608 HB2 ALA 86 2HB ALA 86 10.943 4.464 -3.399 609 HB3 ALA 86 3HB ALA 86 11.528 6.127 -3.441 610 H GLY 87 H GLY 87 8.867 3.818 -1.927 611 HA2 GLY 87 2HA GLY 87 9.648 4.880 0.694 612 HA3 GLY 87 1HA GLY 87 7.992 4.315 0.501 613 H ALA 88 H ALA 88 9.819 3.199 2.333 614 HA ALA 88 HA ALA 88 10.038 0.463 1.247 615 HB1 ALA 88 1HB ALA 88 12.288 1.502 1.298 616 HB2 ALA 88 2HB ALA 88 12.156 0.152 2.424 617 HB3 ALA 88 3HB ALA 88 12.089 1.808 3.023 618 H GLY 89 H GLY 89 9.117 -1.037 2.509 619 HA2 GLY 89 2HA GLY 89 8.738 -0.460 5.373 620 HA3 GLY 89 1HA GLY 89 7.344 -0.902 4.392 621 H PHE 90 H PHE 90 7.272 -2.650 6.071 622 HA PHE 90 HA PHE 90 8.799 -4.979 5.104 623 HB2 PHE 90 2HB PHE 90 8.493 -4.029 7.945 624 HB3 PHE 90 1HB PHE 90 8.801 -5.725 7.574 625 HD1 PHE 90 1HD PHE 90 10.179 -2.327 7.570 626 HD2 PHE 90 2HD PHE 90 10.897 -6.417 6.472 627 HE1 PHE 90 1HE PHE 90 12.590 -1.825 7.275 628 HE2 PHE 90 2HE PHE 90 13.308 -5.915 6.177 629 HZ PHE 90 HZ PHE 90 14.154 -3.619 6.578 630 H ARG 91 H ARG 91 7.723 -6.949 5.223 631 HA ARG 91 HA ARG 91 4.815 -6.743 5.706 632 HB2 ARG 91 2HB ARG 91 6.168 -7.609 3.456 633 HB3 ARG 91 1HB ARG 91 5.751 -9.115 4.276 634 HG2 ARG 91 2HG ARG 91 3.397 -8.368 4.438 635 HG3 ARG 91 1HG ARG 91 3.819 -6.883 3.584 636 HD2 ARG 91 2HD ARG 91 4.527 -8.186 1.628 637 HD3 ARG 91 1HD ARG 91 4.164 -9.685 2.479 638 HE ARG 91 HE ARG 91 1.902 -9.324 2.058 639 HH11 ARG 91 1HH1 ARG 91 0.188 -8.197 1.083 640 HH12 ARG 91 2HH1 ARG 91 0.441 -6.587 0.495 641 HH21 ARG 91 1HH2 ARG 91 3.775 -6.480 1.442 642 HH22 ARG 91 2HH2 ARG 91 2.472 -5.615 0.698 643 H TYR 92 H TYR 92 4.320 -7.473 7.672 644 HA TYR 92 HA TYR 92 5.659 -9.924 8.653 645 HB2 TYR 92 2HB TYR 92 5.790 -7.570 9.892 646 HB3 TYR 92 1HB TYR 92 4.230 -8.099 10.525 647 HD1 TYR 92 1HD TYR 92 7.808 -9.071 10.166 648 HD2 TYR 92 2HD TYR 92 4.084 -9.808 12.174 649 HE1 TYR 92 1HE TYR 92 8.966 -10.574 11.762 650 HE2 TYR 92 2HE TYR 92 5.241 -11.313 13.770 651 HH TYR 92 HH TYR 92 8.698 -12.065 13.406 652 H LYS 93 H LYS 93 4.376 -11.469 9.751 653 HA LYS 93 HA LYS 93 1.614 -11.550 8.787 654 HB2 LYS 93 2HB LYS 93 2.966 -13.540 8.431 655 HB3 LYS 93 1HB LYS 93 3.327 -13.636 10.155 656 HG2 LYS 93 2HG LYS 93 1.175 -14.318 10.709 657 HG3 LYS 93 1HG LYS 93 0.461 -13.575 9.278 658 HD2 LYS 93 2HD LYS 93 0.548 -16.092 9.186 659 HD3 LYS 93 1HD LYS 93 1.377 -15.297 7.848 660 HE2 LYS 93 2HE LYS 93 3.496 -15.818 8.674 661 HE3 LYS 93 1HE LYS 93 2.917 -15.990 10.331 662 HZ1 LYS 93 1HZ LYS 93 2.522 -17.860 8.068 663 HZ2 LYS 93 2HZ LYS 93 1.639 -17.968 9.517 664 HZ3 LYS 93 3HZ LYS 93 3.329 -18.152 9.530 665 H VAL 94 H VAL 94 -0.174 -11.784 10.119 666 HA VAL 94 HA VAL 94 0.235 -11.558 13.021 667 HB VAL 94 HB VAL 94 -1.825 -9.883 12.816 668 HG11 VAL 94 1HG1 VAL 94 -0.188 -8.028 12.926 669 HG12 VAL 94 2HG1 VAL 94 1.073 -9.117 12.348 670 HG13 VAL 94 3HG1 VAL 94 0.320 -9.395 13.919 671 HG21 VAL 94 1HG2 VAL 94 -1.834 -10.108 10.311 672 HG22 VAL 94 2HG2 VAL 94 -0.239 -9.356 10.285 673 HG23 VAL 94 3HG2 VAL 94 -1.632 -8.445 10.868 674 H SER 95 H SER 95 -1.933 -12.146 10.304 675 HA SER 95 HA SER 95 -3.264 -14.240 11.819 676 HB2 SER 95 2HB SER 95 -5.133 -13.095 12.288 677 HB3 SER 95 1HB SER 95 -4.427 -11.648 11.577 678 HG SER 95 HG SER 95 -6.472 -12.765 10.665 679 HA PRO 96 HA PRO 96 -3.511 -16.100 7.840 680 HB2 PRO 96 2HB PRO 96 -5.862 -17.486 7.946 681 HB3 PRO 96 1HB PRO 96 -4.410 -17.965 8.849 682 HG2 PRO 96 2HG PRO 96 -6.837 -16.521 9.791 683 HG3 PRO 96 1HG PRO 96 -5.879 -17.772 10.602 684 HD2 PRO 96 2HD PRO 96 -5.651 -15.102 11.185 685 HD3 PRO 96 1HD PRO 96 -4.321 -16.264 11.386 686 H GLU 97 H GLU 97 -6.236 -14.148 8.842 687 HA GLU 97 HA GLU 97 -7.078 -13.812 6.031 688 HB2 GLU 97 2HB GLU 97 -8.611 -14.403 8.211 689 HB3 GLU 97 1HB GLU 97 -8.756 -12.647 8.151 690 HG2 GLU 97 2HG GLU 97 -9.331 -12.840 5.715 691 HG3 GLU 97 1HG GLU 97 -9.347 -14.593 5.904 692 H VAL 98 H VAL 98 -5.312 -12.316 8.469 693 HA VAL 98 HA VAL 98 -5.550 -9.713 7.092 694 HB VAL 98 HB VAL 98 -5.459 -10.162 10.083 695 HG11 VAL 98 1HG1 VAL 98 -4.920 -7.800 8.346 696 HG12 VAL 98 2HG1 VAL 98 -4.249 -8.210 9.925 697 HG13 VAL 98 3HG1 VAL 98 -5.870 -7.521 9.804 698 HG21 VAL 98 1HG2 VAL 98 -7.630 -8.830 9.906 699 HG22 VAL 98 2HG2 VAL 98 -7.693 -10.473 9.266 700 HG23 VAL 98 3HG2 VAL 98 -7.551 -9.103 8.165 701 H LYS 99 H LYS 99 -3.673 -8.423 7.116 702 HA LYS 99 HA LYS 99 -1.210 -9.729 8.081 703 HB2 LYS 99 2HB LYS 99 -1.867 -8.834 5.300 704 HB3 LYS 99 1HB LYS 99 -0.204 -8.703 5.875 705 HG2 LYS 99 2HG LYS 99 -0.065 -11.048 6.306 706 HG3 LYS 99 1HG LYS 99 -1.807 -11.256 6.113 707 HD2 LYS 99 2HD LYS 99 -1.575 -10.550 3.722 708 HD3 LYS 99 1HD LYS 99 0.175 -10.512 3.943 709 HE2 LYS 99 2HE LYS 99 -0.566 -12.660 2.957 710 HE3 LYS 99 1HE LYS 99 0.166 -12.895 4.544 711 HZ1 LYS 99 1HZ LYS 99 -2.007 -13.005 5.530 712 HZ2 LYS 99 2HZ LYS 99 -1.918 -14.134 4.264 713 HZ3 LYS 99 3HZ LYS 99 -2.752 -12.670 4.044 714 H LEU 100 H LEU 100 0.499 -8.300 8.582 715 HA LEU 100 HA LEU 100 -0.395 -5.534 9.068 716 HB2 LEU 100 2HB LEU 100 0.600 -7.241 10.863 717 HB3 LEU 100 1HB LEU 100 2.124 -6.592 10.253 718 HG LEU 100 HG LEU 100 0.919 -4.270 10.547 719 HD11 LEU 100 1HD1 LEU 100 -0.898 -4.174 11.958 720 HD12 LEU 100 2HD1 LEU 100 -0.417 -5.620 12.846 721 HD13 LEU 100 3HD1 LEU 100 -1.187 -5.770 11.265 722 HD21 LEU 100 1HD2 LEU 100 1.562 -4.534 13.131 723 HD22 LEU 100 2HD2 LEU 100 2.799 -4.504 11.874 724 HD23 LEU 100 3HD2 LEU 100 2.260 -6.043 12.547 725 H VAL 101 H VAL 101 0.722 -3.792 8.306 726 HA VAL 101 HA VAL 101 3.200 -4.268 6.792 727 HB VAL 101 HB VAL 101 1.003 -2.527 5.685 728 HG11 VAL 101 1HG1 VAL 101 2.974 -3.956 3.993 729 HG12 VAL 101 2HG1 VAL 101 3.637 -2.703 5.042 730 HG13 VAL 101 3HG1 VAL 101 2.378 -2.299 3.874 731 HG21 VAL 101 1HG2 VAL 101 0.489 -4.456 4.172 732 HG22 VAL 101 2HG2 VAL 101 0.071 -4.776 5.856 733 HG23 VAL 101 3HG2 VAL 101 1.539 -5.468 5.165 734 H VAL 102 H VAL 102 4.622 -2.535 6.766 735 HA VAL 102 HA VAL 102 3.807 -0.009 7.967 736 HB VAL 102 HB VAL 102 6.161 -0.330 9.260 737 HG11 VAL 102 1HG1 VAL 102 4.722 -1.007 11.245 738 HG12 VAL 102 2HG1 VAL 102 3.370 -1.134 10.119 739 HG13 VAL 102 3HG1 VAL 102 4.168 0.420 10.368 740 HG21 VAL 102 1HG2 VAL 102 4.842 -3.059 9.359 741 HG22 VAL 102 2HG2 VAL 102 6.349 -2.570 10.135 742 HG23 VAL 102 3HG2 VAL 102 6.266 -2.706 8.380 743 H GLU 103 H GLU 103 4.362 1.321 6.405 744 HA GLU 103 HA GLU 103 7.113 1.220 5.357 745 HB2 GLU 103 2HB GLU 103 6.439 1.422 3.115 746 HB3 GLU 103 1HB GLU 103 5.349 0.203 3.773 747 HG2 GLU 103 2HG GLU 103 3.856 2.319 4.339 748 HG3 GLU 103 1HG GLU 103 4.782 3.046 3.028 749 H TYR 104 H TYR 104 7.938 3.218 4.612 750 HA TYR 104 HA TYR 104 6.385 5.601 5.422 751 HB2 TYR 104 2HB TYR 104 9.195 6.079 5.697 752 HB3 TYR 104 1HB TYR 104 7.943 6.138 6.940 753 HD1 TYR 104 1HD TYR 104 7.269 4.006 8.119 754 HD2 TYR 104 2HD TYR 104 10.709 4.246 5.558 755 HE1 TYR 104 1HE TYR 104 8.159 1.920 9.120 756 HE2 TYR 104 2HE TYR 104 11.600 2.158 6.559 757 HH TYR 104 HH TYR 104 10.046 0.645 9.336 758 H GLY 105 H GLY 105 6.433 7.293 4.028 759 HA2 GLY 105 2HA GLY 105 7.645 6.837 1.418 760 HA3 GLY 105 1HA GLY 105 6.534 8.135 1.843 761 H TRP 106 H TRP 106 9.110 8.245 0.412 762 HA TRP 106 HA TRP 106 10.235 10.490 1.846 763 HB2 TRP 106 2HB TRP 106 12.013 9.490 2.767 764 HB3 TRP 106 1HB TRP 106 11.376 7.928 2.251 765 HD1 TRP 106 HD TRP 106 13.810 10.676 1.203 766 HE1 TRP 106 1HE TRP 106 15.366 9.753 -0.634 767 HE3 TRP 106 3HE TRP 106 11.587 6.157 0.355 768 HZ2 TRP 106 2HZ TRP 106 15.632 7.407 -2.248 769 HZ3 TRP 106 3HZ TRP 106 12.512 4.599 -1.335 770 HH2 TRP 106 HH TRP 106 14.529 5.217 -2.637 771 H ASN 107 H ASN 107 11.845 11.636 0.563 772 HA ASN 107 HA ASN 107 12.027 10.848 -2.255 773 HB2 ASN 107 2HB ASN 107 11.517 13.419 -2.686 774 HB3 ASN 107 1HB ASN 107 10.221 12.228 -2.602 775 HD21 ASN 107 1HD2 ASN 107 8.838 14.123 -1.889 776 HD22 ASN 107 2HD2 ASN 107 8.885 14.592 -0.259 777 H ASN 108 H ASN 108 13.458 12.505 -3.451 778 HA ASN 108 HA ASN 108 16.017 12.474 -2.506 779 HB2 ASN 108 2HB ASN 108 15.745 13.129 -4.747 780 HB3 ASN 108 1HB ASN 108 14.621 14.420 -4.328 781 HD21 ASN 108 1HD2 ASN 108 15.535 16.402 -3.363 782 HD22 ASN 108 2HD2 ASN 108 17.190 16.751 -3.520 783 H SER 109 H SER 109 16.399 12.988 -0.397 784 HA SER 109 HA SER 109 16.488 14.249 1.545 785 HB2 SER 109 2HB SER 109 18.339 15.165 0.222 786 HB3 SER 109 1HB SER 109 17.241 16.313 -0.537 787 HG SER 109 HG SER 109 16.892 17.246 1.476 788 H SER 110 H SER 110 14.376 14.346 2.283 789 HA SER 110 HA SER 110 13.181 16.899 2.452 790 HB2 SER 110 2HB SER 110 11.047 15.612 1.163 791 HB3 SER 110 1HB SER 110 11.971 16.988 0.569 792 HG SER 110 HG SER 110 12.497 14.225 0.167 793 H LEU 111 H LEU 111 11.206 16.878 3.714 794 HA LEU 111 HA LEU 111 11.223 15.242 5.915 795 HB2 LEU 111 2HB LEU 111 9.254 17.025 4.652 796 HB3 LEU 111 1HB LEU 111 8.544 15.772 5.670 797 HG LEU 111 HG LEU 111 10.002 16.429 7.534 798 HD11 LEU 111 1HD1 LEU 111 11.259 18.027 5.375 799 HD12 LEU 111 2HD1 LEU 111 11.986 17.304 6.810 800 HD13 LEU 111 3HD1 LEU 111 11.118 18.834 6.938 801 HD21 LEU 111 1HD2 LEU 111 7.945 18.040 6.352 802 HD22 LEU 111 2HD2 LEU 111 9.146 19.114 7.070 803 HD23 LEU 111 3HD2 LEU 111 8.362 17.882 8.059 804 H GLN 112 H GLN 112 9.970 13.447 6.599 805 HA GLN 112 HA GLN 112 8.841 11.793 4.423 806 HB2 GLN 112 2HB GLN 112 9.787 9.807 5.697 807 HB3 GLN 112 1HB GLN 112 10.972 10.814 4.862 808 HG2 GLN 112 2HG GLN 112 10.359 11.690 7.610 809 HG3 GLN 112 1HG GLN 112 11.129 10.108 7.508 810 HE21 GLN 112 1HE2 GLN 112 13.164 10.066 6.022 811 HE22 GLN 112 2HE2 GLN 112 14.163 11.438 6.065 812 H PHE 113 H PHE 113 7.602 9.869 5.456 813 HA PHE 113 HA PHE 113 6.321 10.546 7.991 814 HB2 PHE 113 2HB PHE 113 4.043 10.198 6.805 815 HB3 PHE 113 1HB PHE 113 4.838 11.764 6.640 816 HD1 PHE 113 1HD PHE 113 3.911 8.644 4.937 817 HD2 PHE 113 2HD PHE 113 5.955 12.402 4.545 818 HE1 PHE 113 1HE PHE 113 3.960 8.361 2.473 819 HE2 PHE 113 2HE PHE 113 6.003 12.119 2.082 820 HZ PHE 113 HZ PHE 113 5.006 10.099 1.047 821 H LEU 114 H LEU 114 5.113 8.812 8.887 822 HA LEU 114 HA LEU 114 5.713 6.181 7.665 823 HB2 LEU 114 2HB LEU 114 5.156 5.738 10.356 824 HB3 LEU 114 1HB LEU 114 6.753 5.743 9.611 825 HG LEU 114 HG LEU 114 5.403 8.261 10.618 826 HD11 LEU 114 1HD1 LEU 114 7.460 6.541 12.033 827 HD12 LEU 114 2HD1 LEU 114 5.751 6.619 12.463 828 HD13 LEU 114 3HD1 LEU 114 6.769 8.051 12.629 829 HD21 LEU 114 1HD2 LEU 114 8.307 8.155 10.626 830 HD22 LEU 114 2HD2 LEU 114 7.241 9.307 9.824 831 HD23 LEU 114 3HD2 LEU 114 7.675 7.801 9.019 832 H GLN 115 H GLN 115 4.108 4.589 7.703 833 HA GLN 115 HA GLN 115 1.497 5.219 8.826 834 HB2 GLN 115 2HB GLN 115 0.290 5.345 6.844 835 HB3 GLN 115 1HB GLN 115 1.759 6.222 6.419 836 HG2 GLN 115 2HG GLN 115 2.649 3.894 5.659 837 HG3 GLN 115 1HG GLN 115 0.951 3.423 5.659 838 HE21 GLN 115 1HE2 GLN 115 -0.454 5.390 4.543 839 HE22 GLN 115 2HE2 GLN 115 0.162 5.867 3.034 840 H ALA 116 H ALA 116 0.135 3.423 8.995 841 HA ALA 116 HA ALA 116 1.421 0.819 8.414 842 HB1 ALA 116 1HB ALA 116 -0.611 0.831 10.524 843 HB2 ALA 116 2HB ALA 116 0.794 1.828 10.901 844 HB3 ALA 116 3HB ALA 116 1.002 0.119 10.517 845 H GLY 117 H GLY 117 0.289 -0.596 7.230 846 HA2 GLY 117 2HA GLY 117 -2.591 -0.066 6.777 847 HA3 GLY 117 1HA GLY 117 -1.503 -0.499 5.463 848 H LEU 118 H LEU 118 -3.824 -1.955 6.113 849 HA LEU 118 HA LEU 118 -2.613 -4.533 6.883 850 HB2 LEU 118 2HB LEU 118 -5.342 -3.563 7.768 851 HB3 LEU 118 1HB LEU 118 -4.618 -5.128 8.142 852 HG LEU 118 HG LEU 118 -2.639 -3.476 8.990 853 HD11 LEU 118 1HD1 LEU 118 -4.279 -1.550 8.392 854 HD12 LEU 118 2HD1 LEU 118 -3.471 -1.495 9.958 855 HD13 LEU 118 3HD1 LEU 118 -5.146 -2.037 9.848 856 HD21 LEU 118 1HD2 LEU 118 -3.447 -5.198 10.408 857 HD22 LEU 118 2HD2 LEU 118 -5.085 -4.543 10.407 858 HD23 LEU 118 3HD2 LEU 118 -3.803 -3.712 11.289 859 H SER 119 H SER 119 -3.117 -6.186 5.555 860 HA SER 119 HA SER 119 -4.885 -5.601 3.288 861 HB2 SER 119 2HB SER 119 -2.504 -7.227 3.711 862 HB3 SER 119 1HB SER 119 -3.782 -8.117 2.887 863 HG SER 119 HG SER 119 -3.634 -5.617 1.925 864 H TYR 120 H TYR 120 -6.634 -6.874 2.731 865 HA TYR 120 HA TYR 120 -7.481 -8.908 4.706 866 HB2 TYR 120 2HB TYR 120 -8.843 -6.447 3.841 867 HB3 TYR 120 1HB TYR 120 -9.846 -7.896 3.767 868 HD1 TYR 120 1HD TYR 120 -10.334 -9.204 5.789 869 HD2 TYR 120 2HD TYR 120 -7.978 -5.617 5.961 870 HE1 TYR 120 1HE TYR 120 -10.613 -9.138 8.251 871 HE2 TYR 120 2HE TYR 120 -8.257 -5.552 8.424 872 HH TYR 120 HH TYR 120 -9.274 -8.129 10.226 873 H ARG 121 H ARG 121 -7.770 -10.823 3.779 874 HA ARG 121 HA ARG 121 -7.770 -11.139 0.926 875 HB2 ARG 121 2HB ARG 121 -8.488 -13.278 2.926 876 HB3 ARG 121 1HB ARG 121 -7.729 -13.464 1.344 877 HG2 ARG 121 2HG ARG 121 -5.860 -11.927 2.395 878 HG3 ARG 121 1HG ARG 121 -6.524 -12.510 3.921 879 HD2 ARG 121 2HD ARG 121 -5.492 -14.226 1.646 880 HD3 ARG 121 1HD ARG 121 -4.705 -13.978 3.201 881 HE ARG 121 HE ARG 121 -7.403 -15.054 3.351 882 HH11 ARG 121 1HH1 ARG 121 -7.545 -17.139 4.242 883 HH12 ARG 121 2HH1 ARG 121 -6.108 -18.087 4.445 884 HH21 ARG 121 1HH2 ARG 121 -4.001 -15.657 3.149 885 HH22 ARG 121 2HH2 ARG 121 -4.103 -17.248 3.827 886 H ILE 122 H ILE 122 -9.517 -10.547 -0.207 887 HA ILE 122 HA ILE 122 -12.092 -11.760 0.497 888 HB ILE 122 HB ILE 122 -11.912 -8.830 -0.205 889 HG12 ILE 122 2HG1 ILE 122 -12.024 -10.182 2.507 890 HG13 ILE 122 1HG1 ILE 122 -10.789 -9.065 1.922 891 HG21 ILE 122 1HG2 ILE 122 -14.018 -10.503 -0.383 892 HG22 ILE 122 2HG2 ILE 122 -14.191 -8.809 0.077 893 HG23 ILE 122 3HG2 ILE 122 -14.153 -10.061 1.318 894 HD11 ILE 122 1HD1 ILE 122 -13.500 -8.501 2.975 895 HD12 ILE 122 2HD1 ILE 122 -13.023 -7.556 1.565 896 HD13 ILE 122 3HD1 ILE 122 -12.042 -7.510 3.029 897 H GLN 123 H GLN 123 -11.557 -13.092 -1.334 898 HA GLN 123 HA GLN 123 -11.766 -11.715 -3.942 899 HB2 GLN 123 2HB GLN 123 -11.044 -14.413 -4.333 900 HB3 GLN 123 1HB GLN 123 -10.018 -12.991 -4.526 901 HG2 GLN 123 2HG GLN 123 -9.376 -13.085 -2.173 902 HG3 GLN 123 1HG GLN 123 -10.472 -14.440 -1.903 903 HE21 GLN 123 1HE2 GLN 123 -7.406 -14.237 -1.740 904 HE22 GLN 123 2HE2 GLN 123 -6.861 -15.513 -2.719 905 HA PRO 124 HA PRO 124 -15.646 -13.628 -4.732 906 HB2 PRO 124 2HB PRO 124 -15.442 -14.374 -7.363 907 HB3 PRO 124 1HB PRO 124 -15.649 -12.694 -6.834 908 HG2 PRO 124 2HG PRO 124 -13.187 -14.115 -7.706 909 HG3 PRO 124 1HG PRO 124 -13.701 -12.446 -8.012 910 HD2 PRO 124 2HD PRO 124 -11.830 -13.112 -6.122 911 HD3 PRO 124 1HD PRO 124 -12.874 -11.679 -5.999 Start of MODEL 8 1 H1 MET 1 1HT MET 1 -3.547 -24.403 -8.670 2 H2 MET 1 2HT MET 1 -3.690 -22.763 -8.249 3 H3 MET 1 3HT MET 1 -4.706 -23.919 -7.529 4 HA MET 1 HA MET 1 -2.519 -24.984 -6.715 5 HB2 MET 1 2HB MET 1 -1.741 -22.235 -7.643 6 HB3 MET 1 1HB MET 1 -0.953 -22.920 -6.221 7 HG2 MET 1 2HG MET 1 -1.188 -24.512 -8.770 8 HG3 MET 1 1HG MET 1 0.128 -23.359 -8.543 9 HE1 MET 1 1HE MET 1 0.984 -25.509 -9.315 10 HE2 MET 1 2HE MET 1 0.808 -27.055 -8.487 11 HE3 MET 1 3HE MET 1 2.230 -26.060 -8.188 12 H GLN 2 H GLN 2 -2.857 -21.549 -5.949 13 HA GLN 2 HA GLN 2 -4.389 -22.260 -3.524 14 HB2 GLN 2 2HB GLN 2 -1.933 -20.513 -3.730 15 HB3 GLN 2 1HB GLN 2 -3.032 -20.462 -2.351 16 HG2 GLN 2 2HG GLN 2 -2.049 -23.139 -3.237 17 HG3 GLN 2 1HG GLN 2 -0.913 -22.092 -2.389 18 HE21 GLN 2 1HE2 GLN 2 -3.629 -24.204 -1.976 19 HE22 GLN 2 2HE2 GLN 2 -3.854 -23.930 -0.317 20 H ASP 3 H ASP 3 -3.381 -19.709 -5.772 21 HA ASP 3 HA ASP 3 -6.037 -18.497 -5.514 22 HB2 ASP 3 2HB ASP 3 -3.583 -17.350 -4.448 23 HB3 ASP 3 1HB ASP 3 -4.354 -16.287 -5.623 24 H GLY 4 H GLY 4 -6.758 -17.553 -7.379 25 HA2 GLY 4 2HA GLY 4 -5.129 -18.006 -9.765 26 HA3 GLY 4 1HA GLY 4 -6.846 -17.619 -9.734 27 HA PRO 5 HA PRO 5 -4.133 -13.796 -10.533 28 HB2 PRO 5 2HB PRO 5 -4.659 -13.492 -13.205 29 HB3 PRO 5 1HB PRO 5 -3.274 -14.406 -12.577 30 HG2 PRO 5 2HG PRO 5 -5.879 -15.392 -13.619 31 HG3 PRO 5 1HG PRO 5 -4.252 -16.066 -13.818 32 HD2 PRO 5 2HD PRO 5 -6.081 -17.068 -12.034 33 HD3 PRO 5 1HD PRO 5 -4.323 -17.186 -11.801 34 H GLY 6 H GLY 6 -4.972 -11.681 -10.791 35 HA2 GLY 6 2HA GLY 6 -6.598 -10.041 -11.141 36 HA3 GLY 6 1HA GLY 6 -7.733 -11.302 -11.615 37 H THR 7 H THR 7 -6.084 -11.996 -8.730 38 HA THR 7 HA THR 7 -8.398 -12.105 -7.149 39 HB THR 7 HB THR 7 -6.106 -11.641 -5.492 40 HG1 THR 7 1HG THR 7 -4.620 -12.891 -6.438 41 HG21 THR 7 1HG2 THR 7 -6.487 -14.007 -4.923 42 HG22 THR 7 2HG2 THR 7 -7.538 -14.178 -6.329 43 HG23 THR 7 3HG2 THR 7 -8.014 -13.127 -4.996 44 H LEU 8 H LEU 8 -9.342 -10.722 -5.712 45 HA LEU 8 HA LEU 8 -8.408 -7.917 -5.791 46 HB2 LEU 8 2HB LEU 8 -10.784 -8.710 -6.623 47 HB3 LEU 8 1HB LEU 8 -11.160 -8.678 -4.899 48 HG LEU 8 HG LEU 8 -9.951 -6.313 -5.038 49 HD11 LEU 8 1HD1 LEU 8 -11.227 -6.452 -7.768 50 HD12 LEU 8 2HD1 LEU 8 -9.516 -6.813 -7.544 51 HD13 LEU 8 3HD1 LEU 8 -10.141 -5.220 -7.124 52 HD21 LEU 8 1HD2 LEU 8 -12.783 -6.925 -5.933 53 HD22 LEU 8 2HD2 LEU 8 -12.217 -5.313 -5.496 54 HD23 LEU 8 3HD2 LEU 8 -12.239 -6.598 -4.288 55 H ASP 9 H ASP 9 -7.879 -6.902 -3.937 56 HA ASP 9 HA ASP 9 -8.649 -8.115 -1.371 57 HB2 ASP 9 2HB ASP 9 -5.899 -7.830 -2.455 58 HB3 ASP 9 1HB ASP 9 -6.131 -7.399 -0.762 59 H VAL 10 H VAL 10 -8.836 -6.671 0.321 60 HA VAL 10 HA VAL 10 -8.578 -3.809 -0.396 61 HB VAL 10 HB VAL 10 -10.518 -5.149 1.506 62 HG11 VAL 10 1HG1 VAL 10 -11.438 -2.629 1.167 63 HG12 VAL 10 2HG1 VAL 10 -9.705 -2.329 1.037 64 HG13 VAL 10 3HG1 VAL 10 -10.364 -3.084 2.489 65 HG21 VAL 10 1HG2 VAL 10 -11.108 -3.620 -1.038 66 HG22 VAL 10 2HG2 VAL 10 -12.198 -4.654 -0.115 67 HG23 VAL 10 3HG2 VAL 10 -10.868 -5.367 -1.028 68 H PHE 11 H PHE 11 -7.615 -2.423 1.069 69 HA PHE 11 HA PHE 11 -6.844 -3.348 3.703 70 HB2 PHE 11 2HB PHE 11 -4.480 -3.281 3.397 71 HB3 PHE 11 1HB PHE 11 -5.117 -4.301 2.107 72 HD1 PHE 11 1HD PHE 11 -3.647 -1.023 2.931 73 HD2 PHE 11 2HD PHE 11 -5.160 -3.534 -0.209 74 HE1 PHE 11 1HE PHE 11 -2.647 0.489 1.241 75 HE2 PHE 11 2HE PHE 11 -4.158 -2.021 -1.900 76 HZ PHE 11 HZ PHE 11 -2.901 -0.010 -1.174 77 H VAL 12 H VAL 12 -6.293 -1.694 5.076 78 HA VAL 12 HA VAL 12 -6.397 1.044 3.955 79 HB VAL 12 HB VAL 12 -8.387 0.822 5.199 80 HG11 VAL 12 1HG1 VAL 12 -6.728 -1.027 6.792 81 HG12 VAL 12 2HG1 VAL 12 -8.454 -1.086 6.438 82 HG13 VAL 12 3HG1 VAL 12 -7.855 -0.059 7.740 83 HG21 VAL 12 1HG2 VAL 12 -8.112 2.405 6.919 84 HG22 VAL 12 2HG2 VAL 12 -6.717 2.710 5.883 85 HG23 VAL 12 3HG2 VAL 12 -6.524 1.778 7.368 86 H ALA 13 H ALA 13 -4.974 2.577 4.845 87 HA ALA 13 HA ALA 13 -3.175 1.811 6.970 88 HB1 ALA 13 1HB ALA 13 -2.182 0.801 4.890 89 HB2 ALA 13 2HB ALA 13 -1.143 1.980 5.693 90 HB3 ALA 13 3HB ALA 13 -2.032 2.432 4.240 91 H ALA 14 H ALA 14 -3.279 3.540 8.169 92 HA ALA 14 HA ALA 14 -3.400 6.210 6.933 93 HB1 ALA 14 1HB ALA 14 -4.844 6.701 8.575 94 HB2 ALA 14 2HB ALA 14 -3.634 6.287 9.790 95 HB3 ALA 14 3HB ALA 14 -4.713 5.043 9.163 96 H GLY 15 H GLY 15 -1.870 7.777 7.383 97 HA2 GLY 15 2HA GLY 15 0.426 6.975 9.062 98 HA3 GLY 15 1HA GLY 15 0.684 7.596 7.436 99 H TRP 16 H TRP 16 1.920 8.897 9.415 100 HA TRP 16 HA TRP 16 0.366 11.400 9.687 101 HB2 TRP 16 2HB TRP 16 2.020 9.942 11.731 102 HB3 TRP 16 1HB TRP 16 1.809 11.690 11.828 103 HD1 TRP 16 HD TRP 16 -0.530 12.617 12.521 104 HE1 TRP 16 1HE TRP 16 -2.680 11.510 13.411 105 HE3 TRP 16 3HE TRP 16 0.536 7.716 11.557 106 HZ2 TRP 16 2HZ TRP 16 -3.801 8.892 13.680 107 HZ3 TRP 16 3HZ TRP 16 -1.090 5.939 12.139 108 HH2 TRP 16 HH TRP 16 -3.255 6.519 13.198 109 H ASN 17 H ASN 17 1.550 13.323 9.516 110 HA ASN 17 HA ASN 17 4.156 13.009 8.178 111 HB2 ASN 17 2HB ASN 17 1.890 14.506 7.521 112 HB3 ASN 17 1HB ASN 17 3.047 15.690 8.129 113 HD21 ASN 17 1HD2 ASN 17 4.734 16.288 6.728 114 HD22 ASN 17 2HD2 ASN 17 5.081 15.501 5.265 115 H THR 18 H THR 18 5.958 14.159 8.840 116 HA THR 18 HA THR 18 6.463 14.515 11.512 117 HB THR 18 HB THR 18 8.323 16.032 10.798 118 HG1 THR 18 1HG THR 18 6.849 16.741 8.945 119 HG21 THR 18 1HG2 THR 18 7.806 13.308 10.010 120 HG22 THR 18 2HG2 THR 18 9.338 14.054 10.469 121 HG23 THR 18 3HG2 THR 18 8.802 14.102 8.789 122 H ASP 19 H ASP 19 4.988 16.788 9.272 123 HA ASP 19 HA ASP 19 5.080 19.047 11.023 124 HB2 ASP 19 2HB ASP 19 4.034 18.417 8.379 125 HB3 ASP 19 1HB ASP 19 2.936 19.444 9.299 126 H ASN 20 H ASN 20 3.751 16.296 11.746 127 HA ASN 20 HA ASN 20 2.050 15.605 13.124 128 HB2 ASN 20 2HB ASN 20 1.526 18.516 13.709 129 HB3 ASN 20 1HB ASN 20 1.266 17.126 14.760 130 HD21 ASN 20 1HD2 ASN 20 3.846 15.837 14.171 131 HD22 ASN 20 2HD2 ASN 20 5.041 16.791 14.907 132 H THR 21 H THR 21 1.159 15.259 10.795 133 HA THR 21 HA THR 21 -1.505 16.533 10.689 134 HB THR 21 HB THR 21 -0.043 15.766 8.180 135 HG1 THR 21 1HG THR 21 0.023 18.303 9.440 136 HG21 THR 21 1HG2 THR 21 -1.699 16.971 7.123 137 HG22 THR 21 2HG2 THR 21 -1.902 18.081 8.478 138 HG23 THR 21 3HG2 THR 21 -2.594 16.462 8.555 139 H ILE 22 H ILE 22 -3.178 15.230 9.858 140 HA ILE 22 HA ILE 22 -2.626 12.347 10.072 141 HB ILE 22 HB ILE 22 -5.417 13.240 9.780 142 HG12 ILE 22 2HG1 ILE 22 -4.595 15.150 11.050 143 HG13 ILE 22 1HG1 ILE 22 -5.500 14.095 12.132 144 HG21 ILE 22 1HG2 ILE 22 -4.695 10.939 10.392 145 HG22 ILE 22 2HG2 ILE 22 -5.723 11.668 11.624 146 HG23 ILE 22 3HG2 ILE 22 -3.980 11.579 11.871 147 HD11 ILE 22 1HD1 ILE 22 -2.888 13.111 12.264 148 HD12 ILE 22 2HD1 ILE 22 -3.684 14.114 13.474 149 HD13 ILE 22 3HD1 ILE 22 -2.688 14.861 12.228 150 H GLU 23 H GLU 23 -2.728 11.031 8.359 151 HA GLU 23 HA GLU 23 -4.078 11.975 5.912 152 HB2 GLU 23 2HB GLU 23 -1.632 12.385 5.712 153 HB3 GLU 23 1HB GLU 23 -1.351 10.662 5.970 154 HG2 GLU 23 2HG GLU 23 -2.652 10.116 3.975 155 HG3 GLU 23 1HG GLU 23 -3.043 11.819 3.736 156 H ILE 24 H ILE 24 -5.478 10.517 5.189 157 HA ILE 24 HA ILE 24 -5.207 7.722 6.101 158 HB ILE 24 HB ILE 24 -7.581 9.373 5.243 159 HG12 ILE 24 2HG1 ILE 24 -7.254 7.642 7.694 160 HG13 ILE 24 1HG1 ILE 24 -6.614 9.287 7.653 161 HG21 ILE 24 1HG2 ILE 24 -8.782 7.097 5.771 162 HG22 ILE 24 2HG2 ILE 24 -7.218 6.391 5.359 163 HG23 ILE 24 3HG2 ILE 24 -8.090 7.358 4.170 164 HD11 ILE 24 1HD1 ILE 24 -9.151 8.694 8.420 165 HD12 ILE 24 2HD1 ILE 24 -9.402 8.977 6.698 166 HD13 ILE 24 3HD1 ILE 24 -8.690 10.238 7.702 167 H THR 25 H THR 25 -5.015 6.081 4.669 168 HA THR 25 HA THR 25 -5.399 6.646 1.806 169 HB THR 25 HB THR 25 -2.966 5.174 2.819 170 HG1 THR 25 1HG THR 25 -2.286 7.072 3.376 171 HG21 THR 25 1HG2 THR 25 -2.251 5.226 0.603 172 HG22 THR 25 2HG2 THR 25 -3.258 6.617 0.204 173 HG23 THR 25 3HG2 THR 25 -3.991 5.026 0.402 174 H GLY 26 H GLY 26 -6.812 5.195 1.088 175 HA2 GLY 26 2HA GLY 26 -6.478 2.376 1.848 176 HA3 GLY 26 1HA GLY 26 -8.048 3.130 2.107 177 H GLY 27 H GLY 27 -7.582 0.902 0.402 178 HA2 GLY 27 2HA GLY 27 -9.056 1.567 -1.857 179 HA3 GLY 27 1HA GLY 27 -7.363 1.665 -2.332 180 H ALA 28 H ALA 28 -7.501 -0.105 -3.734 181 HA ALA 28 HA ALA 28 -7.542 -2.714 -2.369 182 HB1 ALA 28 1HB ALA 28 -8.775 -3.663 -4.331 183 HB2 ALA 28 2HB ALA 28 -9.034 -2.016 -4.906 184 HB3 ALA 28 3HB ALA 28 -9.733 -2.534 -3.372 185 H THR 29 H THR 29 -6.552 -4.438 -3.724 186 HA THR 29 HA THR 29 -4.616 -3.403 -5.691 187 HB THR 29 HB THR 29 -3.432 -3.552 -3.550 188 HG1 THR 29 1HG THR 29 -2.853 -5.633 -5.383 189 HG21 THR 29 1HG2 THR 29 -3.351 -5.528 -2.249 190 HG22 THR 29 2HG2 THR 29 -4.021 -6.511 -3.553 191 HG23 THR 29 3HG2 THR 29 -5.050 -5.365 -2.692 192 H TYR 30 H TYR 30 -4.001 -4.867 -7.283 193 HA TYR 30 HA TYR 30 -5.710 -7.265 -7.468 194 HB2 TYR 30 2HB TYR 30 -4.164 -5.957 -9.708 195 HB3 TYR 30 1HB TYR 30 -5.487 -7.116 -9.838 196 HD1 TYR 30 1HD TYR 30 -7.759 -6.407 -9.791 197 HD2 TYR 30 2HD TYR 30 -4.625 -3.656 -8.761 198 HE1 TYR 30 1HE TYR 30 -9.392 -4.542 -9.806 199 HE2 TYR 30 2HE TYR 30 -6.260 -1.790 -8.776 200 HH TYR 30 HH TYR 30 -8.702 -1.499 -10.104 201 H GLN 31 H GLN 31 -4.788 -9.175 -7.127 202 HA GLN 31 HA GLN 31 -1.856 -9.389 -7.296 203 HB2 GLN 31 2HB GLN 31 -3.851 -11.292 -6.046 204 HB3 GLN 31 1HB GLN 31 -2.094 -11.388 -5.928 205 HG2 GLN 31 2HG GLN 31 -2.090 -9.138 -4.840 206 HG3 GLN 31 1HG GLN 31 -3.853 -9.164 -4.857 207 HE21 GLN 31 1HE2 GLN 31 -4.844 -10.125 -3.068 208 HE22 GLN 31 2HE2 GLN 31 -4.052 -11.129 -1.951 209 H LEU 32 H LEU 32 -1.482 -9.728 -9.459 210 HA LEU 32 HA LEU 32 -2.981 -11.782 -10.889 211 HB2 LEU 32 2HB LEU 32 -0.952 -9.709 -11.645 212 HB3 LEU 32 1HB LEU 32 -1.238 -11.078 -12.718 213 HG LEU 32 HG LEU 32 -3.638 -10.549 -12.780 214 HD11 LEU 32 1HD1 LEU 32 -2.782 -8.469 -10.779 215 HD12 LEU 32 2HD1 LEU 32 -4.146 -9.585 -10.702 216 HD13 LEU 32 3HD1 LEU 32 -4.203 -8.197 -11.789 217 HD21 LEU 32 1HD2 LEU 32 -2.972 -7.900 -13.474 218 HD22 LEU 32 2HD2 LEU 32 -3.016 -9.296 -14.550 219 HD23 LEU 32 3HD2 LEU 32 -1.508 -8.842 -13.755 220 H SER 33 H SER 33 0.248 -11.226 -9.582 221 HA SER 33 HA SER 33 0.776 -14.020 -9.348 222 HB2 SER 33 2HB SER 33 2.936 -13.283 -10.998 223 HB3 SER 33 1HB SER 33 1.665 -14.446 -11.360 224 HG SER 33 HG SER 33 0.521 -12.881 -12.376 225 HA PRO 34 HA PRO 34 3.675 -12.509 -6.414 226 HB2 PRO 34 2HB PRO 34 5.757 -14.301 -6.630 227 HB3 PRO 34 1HB PRO 34 4.229 -14.646 -5.799 228 HG2 PRO 34 2HG PRO 34 5.136 -15.454 -8.509 229 HG3 PRO 34 1HG PRO 34 4.160 -16.344 -7.327 230 HD2 PRO 34 2HD PRO 34 3.084 -15.104 -9.518 231 HD3 PRO 34 1HD PRO 34 2.188 -15.347 -8.003 232 H TYR 35 H TYR 35 4.383 -12.485 -9.698 233 HA TYR 35 HA TYR 35 7.086 -11.623 -9.717 234 HB2 TYR 35 2HB TYR 35 5.234 -12.274 -11.636 235 HB3 TYR 35 1HB TYR 35 5.363 -10.526 -11.829 236 HD1 TYR 35 1HD TYR 35 7.577 -13.509 -11.278 237 HD2 TYR 35 2HD TYR 35 7.065 -9.700 -13.198 238 HE1 TYR 35 1HE TYR 35 9.748 -13.802 -12.440 239 HE2 TYR 35 2HE TYR 35 9.236 -9.993 -14.359 240 HH TYR 35 HH TYR 35 11.450 -12.499 -13.509 241 H ILE 36 H ILE 36 4.157 -9.674 -10.339 242 HA ILE 36 HA ILE 36 5.301 -7.495 -8.738 243 HB ILE 36 HB ILE 36 6.046 -6.996 -10.996 244 HG12 ILE 36 2HG1 ILE 36 3.606 -5.288 -10.466 245 HG13 ILE 36 1HG1 ILE 36 5.055 -5.190 -9.467 246 HG21 ILE 36 1HG2 ILE 36 3.481 -6.561 -12.251 247 HG22 ILE 36 2HG2 ILE 36 3.609 -8.235 -11.714 248 HG23 ILE 36 3HG2 ILE 36 4.823 -7.563 -12.800 249 HD11 ILE 36 1HD1 ILE 36 5.546 -5.098 -12.380 250 HD12 ILE 36 2HD1 ILE 36 6.257 -4.133 -11.088 251 HD13 ILE 36 3HD1 ILE 36 4.669 -3.713 -11.730 252 H MET 37 H MET 37 3.797 -6.376 -7.615 253 HA MET 37 HA MET 37 0.985 -7.167 -8.003 254 HB2 MET 37 2HB MET 37 2.322 -5.820 -5.644 255 HB3 MET 37 1HB MET 37 0.641 -6.353 -5.715 256 HG2 MET 37 2HG MET 37 1.209 -8.490 -5.263 257 HG3 MET 37 1HG MET 37 2.482 -8.479 -6.483 258 HE1 MET 37 1HE MET 37 1.744 -9.010 -2.958 259 HE2 MET 37 2HE MET 37 1.421 -7.279 -2.973 260 HE3 MET 37 3HE MET 37 2.748 -7.911 -2.004 261 H VAL 38 H VAL 38 -0.665 -5.610 -8.075 262 HA VAL 38 HA VAL 38 0.240 -2.935 -8.941 263 HB VAL 38 HB VAL 38 -2.444 -4.225 -9.461 264 HG11 VAL 38 1HG1 VAL 38 -0.966 -1.862 -10.657 265 HG12 VAL 38 2HG1 VAL 38 -2.434 -1.800 -9.680 266 HG13 VAL 38 3HG1 VAL 38 -2.476 -2.515 -11.293 267 HG21 VAL 38 1HG2 VAL 38 -1.220 -4.313 -11.853 268 HG22 VAL 38 2HG2 VAL 38 -1.138 -5.653 -10.710 269 HG23 VAL 38 3HG2 VAL 38 0.196 -4.504 -10.820 270 H LYS 39 H LYS 39 -0.041 -1.347 -7.528 271 HA LYS 39 HA LYS 39 -2.115 -1.636 -5.447 272 HB2 LYS 39 2HB LYS 39 0.571 -0.996 -5.228 273 HB3 LYS 39 1HB LYS 39 -0.232 0.571 -5.118 274 HG2 LYS 39 2HG LYS 39 -1.754 -0.373 -3.380 275 HG3 LYS 39 1HG LYS 39 -0.839 -1.881 -3.439 276 HD2 LYS 39 2HD LYS 39 1.099 0.132 -3.151 277 HD3 LYS 39 1HD LYS 39 -0.203 0.586 -2.050 278 HE2 LYS 39 2HE LYS 39 1.441 -0.917 -0.956 279 HE3 LYS 39 1HE LYS 39 -0.160 -1.649 -1.039 280 HZ1 LYS 39 1HZ LYS 39 2.028 -2.896 -1.831 281 HZ2 LYS 39 2HZ LYS 39 1.619 -2.134 -3.293 282 HZ3 LYS 39 3HZ LYS 39 0.512 -3.176 -2.537 283 H ALA 40 H ALA 40 -3.790 -0.259 -5.358 284 HA ALA 40 HA ALA 40 -3.664 2.322 -6.712 285 HB1 ALA 40 1HB ALA 40 -5.908 0.424 -7.391 286 HB2 ALA 40 2HB ALA 40 -4.455 0.552 -8.382 287 HB3 ALA 40 3HB ALA 40 -5.501 1.956 -8.166 288 H GLY 41 H GLY 41 -4.685 3.813 -5.532 289 HA2 GLY 41 2HA GLY 41 -7.140 3.357 -4.157 290 HA3 GLY 41 1HA GLY 41 -5.786 3.359 -3.033 291 H TYR 42 H TYR 42 -7.222 5.271 -2.309 292 HA TYR 42 HA TYR 42 -5.991 7.702 -3.380 293 HB2 TYR 42 2HB TYR 42 -8.206 8.855 -3.399 294 HB3 TYR 42 1HB TYR 42 -8.065 7.594 -4.623 295 HD1 TYR 42 1HD TYR 42 -8.950 5.241 -4.021 296 HD2 TYR 42 2HD TYR 42 -9.950 8.792 -1.819 297 HE1 TYR 42 1HE TYR 42 -10.928 4.092 -3.065 298 HE2 TYR 42 2HE TYR 42 -11.928 7.641 -0.863 299 HH TYR 42 HH TYR 42 -12.512 4.205 -1.442 300 H GLY 43 H GLY 43 -5.861 9.391 -1.893 301 HA2 GLY 43 2HA GLY 43 -6.921 8.893 0.810 302 HA3 GLY 43 1HA GLY 43 -5.200 9.203 0.604 303 H TRP 44 H TRP 44 -6.335 10.921 2.221 304 HA TRP 44 HA TRP 44 -6.129 13.431 0.839 305 HB2 TRP 44 2HB TRP 44 -8.383 14.256 1.464 306 HB3 TRP 44 1HB TRP 44 -8.453 12.939 0.294 307 HD1 TRP 44 HD TRP 44 -8.737 10.400 1.502 308 HE1 TRP 44 1HE TRP 44 -10.323 9.762 3.431 309 HE3 TRP 44 3HE TRP 44 -9.630 15.025 3.474 310 HZ2 TRP 44 2HZ TRP 44 -11.778 11.044 5.534 311 HZ3 TRP 44 3HZ TRP 44 -11.118 15.288 5.438 312 HH2 TRP 44 HH TRP 44 -12.192 13.305 6.471 313 H ASN 45 H ASN 45 -6.560 15.283 2.414 314 HA ASN 45 HA ASN 45 -6.082 14.495 5.210 315 HB2 ASN 45 2HB ASN 45 -3.939 15.086 3.803 316 HB3 ASN 45 1HB ASN 45 -4.487 16.744 4.044 317 HD21 ASN 45 1HD2 ASN 45 -5.496 16.692 6.638 318 HD22 ASN 45 2HD2 ASN 45 -4.269 16.267 7.731 319 H ASN 46 H ASN 46 -6.225 17.454 3.211 320 HA ASN 46 HA ASN 46 -7.875 18.740 5.253 321 HB2 ASN 46 2HB ASN 46 -6.480 19.709 2.765 322 HB3 ASN 46 1HB ASN 46 -7.648 20.714 3.619 323 HD21 ASN 46 1HD2 ASN 46 -4.463 20.565 3.354 324 HD22 ASN 46 2HD2 ASN 46 -3.974 20.846 4.956 325 H SER 47 H SER 47 -8.390 19.834 2.071 326 HA SER 47 HA SER 47 -10.639 18.178 1.414 327 HB2 SER 47 2HB SER 47 -12.395 19.827 1.738 328 HB3 SER 47 1HB SER 47 -11.588 19.532 3.275 329 HG SER 47 HG SER 47 -11.962 21.809 2.547 330 H SER 48 H SER 48 -11.989 19.403 -0.371 331 HA SER 48 HA SER 48 -11.882 20.061 -2.580 332 HB2 SER 48 2HB SER 48 -12.032 22.234 -1.458 333 HB3 SER 48 1HB SER 48 -10.280 22.276 -1.277 334 HG SER 48 HG SER 48 -10.114 22.269 -3.540 335 H LEU 49 H LEU 49 -9.953 18.113 -1.949 336 HA LEU 49 HA LEU 49 -8.173 18.406 -4.144 337 HB2 LEU 49 2HB LEU 49 -7.058 19.919 -2.478 338 HB3 LEU 49 1HB LEU 49 -6.870 18.528 -1.413 339 HG LEU 49 HG LEU 49 -5.597 17.360 -3.218 340 HD11 LEU 49 1HD1 LEU 49 -6.280 19.888 -4.659 341 HD12 LEU 49 2HD1 LEU 49 -6.127 18.245 -5.280 342 HD13 LEU 49 3HD1 LEU 49 -4.683 19.198 -4.942 343 HD21 LEU 49 1HD2 LEU 49 -3.874 19.616 -3.134 344 HD22 LEU 49 2HD2 LEU 49 -3.839 18.195 -2.090 345 HD23 LEU 49 3HD2 LEU 49 -4.783 19.610 -1.623 346 H ASN 50 H ASN 50 -8.195 16.388 -4.882 347 HA ASN 50 HA ASN 50 -8.282 14.156 -2.960 348 HB2 ASN 50 2HB ASN 50 -8.741 14.026 -5.942 349 HB3 ASN 50 1HB ASN 50 -9.172 12.821 -4.729 350 HD21 ASN 50 1HD2 ASN 50 -10.452 14.281 -2.768 351 HD22 ASN 50 2HD2 ASN 50 -11.810 15.073 -3.407 352 H ARG 51 H ARG 51 -6.865 12.392 -3.157 353 HA ARG 51 HA ARG 51 -4.474 12.855 -4.837 354 HB2 ARG 51 2HB ARG 51 -4.373 11.638 -2.079 355 HB3 ARG 51 1HB ARG 51 -3.032 12.226 -3.063 356 HG2 ARG 51 2HG ARG 51 -4.504 14.486 -2.928 357 HG3 ARG 51 1HG ARG 51 -4.964 13.747 -1.394 358 HD2 ARG 51 2HD ARG 51 -3.048 14.983 -0.827 359 HD3 ARG 51 1HD ARG 51 -2.418 13.358 -1.070 360 HE ARG 51 HE ARG 51 -2.364 15.042 -3.436 361 HH11 ARG 51 1HH1 ARG 51 -0.287 15.522 -4.219 362 HH12 ARG 51 2HH1 ARG 51 1.100 15.201 -3.234 363 HH21 ARG 51 1HH2 ARG 51 -0.745 13.944 -0.582 364 HH22 ARG 51 2HH2 ARG 51 0.841 14.308 -1.174 365 H PHE 52 H PHE 52 -4.286 11.267 -6.263 366 HA PHE 52 HA PHE 52 -5.288 8.577 -5.556 367 HB2 PHE 52 2HB PHE 52 -5.943 10.111 -7.721 368 HB3 PHE 52 1HB PHE 52 -4.632 9.129 -8.372 369 HD1 PHE 52 1HD PHE 52 -8.056 9.208 -8.147 370 HD2 PHE 52 2HD PHE 52 -4.779 6.562 -7.288 371 HE1 PHE 52 1HE PHE 52 -9.581 7.263 -8.320 372 HE2 PHE 52 2HE PHE 52 -6.308 4.617 -7.462 373 HZ PHE 52 HZ PHE 52 -8.708 4.967 -7.978 374 H GLU 53 H GLU 53 -3.760 7.157 -5.040 375 HA GLU 53 HA GLU 53 -1.022 7.571 -6.032 376 HB2 GLU 53 2HB GLU 53 -2.192 6.019 -3.733 377 HB3 GLU 53 1HB GLU 53 -0.551 5.711 -4.303 378 HG2 GLU 53 2HG GLU 53 0.032 8.069 -3.962 379 HG3 GLU 53 1HG GLU 53 -1.614 8.414 -3.438 380 H PHE 54 H PHE 54 -0.044 6.179 -7.398 381 HA PHE 54 HA PHE 54 -1.206 3.541 -7.886 382 HB2 PHE 54 2HB PHE 54 -2.424 4.665 -9.546 383 HB3 PHE 54 1HB PHE 54 -1.086 5.753 -9.920 384 HD1 PHE 54 1HD PHE 54 0.380 5.254 -11.686 385 HD2 PHE 54 2HD PHE 54 -2.034 2.132 -9.990 386 HE1 PHE 54 1HE PHE 54 1.157 3.694 -13.450 387 HE2 PHE 54 2HE PHE 54 -1.257 0.572 -11.754 388 HZ PHE 54 HZ PHE 54 0.338 1.354 -13.484 389 H GLY 55 H GLY 55 0.350 2.068 -8.190 390 HA2 GLY 55 2HA GLY 55 2.766 2.536 -9.615 391 HA3 GLY 55 1HA GLY 55 3.063 2.601 -7.880 392 H GLY 56 H GLY 56 4.312 0.722 -7.846 393 HA2 GLY 56 2HA GLY 56 2.753 -1.770 -8.054 394 HA3 GLY 56 1HA GLY 56 4.309 -1.661 -8.870 395 H GLY 57 H GLY 57 3.568 -3.499 -6.771 396 HA2 GLY 57 2HA GLY 57 5.331 -2.606 -4.567 397 HA3 GLY 57 1HA GLY 57 4.027 -3.773 -4.385 398 H LEU 58 H LEU 58 6.794 -4.159 -3.671 399 HA LEU 58 HA LEU 58 7.385 -6.482 -5.394 400 HB2 LEU 58 2HB LEU 58 8.925 -4.153 -5.331 401 HB3 LEU 58 1HB LEU 58 9.788 -5.284 -4.289 402 HG LEU 58 HG LEU 58 9.551 -7.011 -6.125 403 HD11 LEU 58 1HD1 LEU 58 7.834 -5.051 -7.198 404 HD12 LEU 58 2HD1 LEU 58 8.349 -6.548 -7.974 405 HD13 LEU 58 3HD1 LEU 58 9.253 -5.058 -8.244 406 HD21 LEU 58 1HD2 LEU 58 11.103 -4.447 -6.481 407 HD22 LEU 58 2HD2 LEU 58 11.260 -5.769 -7.638 408 HD23 LEU 58 3HD2 LEU 58 11.688 -6.022 -5.945 409 H GLN 59 H GLN 59 8.078 -8.293 -4.337 410 HA GLN 59 HA GLN 59 8.553 -8.102 -1.434 411 HB2 GLN 59 2HB GLN 59 7.046 -9.838 -0.929 412 HB3 GLN 59 1HB GLN 59 6.163 -8.829 -2.073 413 HG2 GLN 59 2HG GLN 59 7.516 -11.479 -2.571 414 HG3 GLN 59 1HG GLN 59 5.839 -11.030 -2.876 415 HE21 GLN 59 1HE2 GLN 59 8.535 -11.747 -4.564 416 HE22 GLN 59 2HE2 GLN 59 8.350 -10.711 -5.896 417 H TYR 60 H TYR 60 9.553 -10.104 -0.553 418 HA TYR 60 HA TYR 60 11.336 -11.362 -2.555 419 HB2 TYR 60 2HB TYR 60 12.024 -9.801 -0.340 420 HB3 TYR 60 1HB TYR 60 12.333 -11.463 0.164 421 HD1 TYR 60 1HD TYR 60 12.953 -9.049 -2.622 422 HD2 TYR 60 2HD TYR 60 14.239 -12.618 -0.605 423 HE1 TYR 60 1HE TYR 60 15.015 -9.086 -4.000 424 HE2 TYR 60 2HE TYR 60 16.301 -12.653 -1.983 425 HH TYR 60 HH TYR 60 17.692 -10.903 -3.252 426 H LYS 61 H LYS 61 12.250 -13.489 -1.746 427 HA LYS 61 HA LYS 61 10.118 -15.045 -0.400 428 HB2 LYS 61 2HB LYS 61 11.268 -16.971 -1.764 429 HB3 LYS 61 1HB LYS 61 10.109 -15.905 -2.559 430 HG2 LYS 61 2HG LYS 61 11.758 -14.745 -3.717 431 HG3 LYS 61 1HG LYS 61 13.006 -15.131 -2.531 432 HD2 LYS 61 2HD LYS 61 13.351 -16.400 -4.620 433 HD3 LYS 61 1HD LYS 61 12.994 -17.481 -3.274 434 HE2 LYS 61 2HE LYS 61 11.723 -18.004 -5.396 435 HE3 LYS 61 1HE LYS 61 10.705 -17.733 -3.981 436 HZ1 LYS 61 1HZ LYS 61 9.794 -15.952 -4.915 437 HZ2 LYS 61 2HZ LYS 61 10.509 -16.441 -6.375 438 HZ3 LYS 61 3HZ LYS 61 11.294 -15.311 -5.377 439 H VAL 62 H VAL 62 10.681 -15.997 1.451 440 HA VAL 62 HA VAL 62 13.250 -17.182 1.882 441 HB VAL 62 HB VAL 62 13.909 -14.848 2.207 442 HG11 VAL 62 1HG1 VAL 62 11.335 -14.547 3.201 443 HG12 VAL 62 2HG1 VAL 62 12.615 -13.336 3.284 444 HG13 VAL 62 3HG1 VAL 62 12.343 -14.425 4.644 445 HG21 VAL 62 1HG2 VAL 62 14.571 -16.869 3.798 446 HG22 VAL 62 2HG2 VAL 62 13.688 -15.923 4.995 447 HG23 VAL 62 3HG2 VAL 62 15.084 -15.224 4.176 448 H THR 63 H THR 63 10.200 -16.000 3.181 449 HA THR 63 HA THR 63 10.082 -18.375 4.912 450 HB THR 63 HB THR 63 8.710 -16.436 6.338 451 HG1 THR 63 1HG THR 63 9.497 -14.723 5.275 452 HG21 THR 63 1HG2 THR 63 11.619 -17.242 6.636 453 HG22 THR 63 2HG2 THR 63 10.246 -18.174 7.234 454 HG23 THR 63 3HG2 THR 63 10.591 -16.582 7.909 455 HA PRO 64 HA PRO 64 5.995 -19.161 3.443 456 HB2 PRO 64 2HB PRO 64 4.924 -18.418 6.139 457 HB3 PRO 64 1HB PRO 64 4.583 -19.848 5.146 458 HG2 PRO 64 2HG PRO 64 6.223 -19.954 7.250 459 HG3 PRO 64 1HG PRO 64 6.493 -20.926 5.794 460 HD2 PRO 64 2HD PRO 64 8.003 -18.579 6.778 461 HD3 PRO 64 1HD PRO 64 8.523 -19.880 5.688 462 H ASP 65 H ASP 65 6.878 -16.155 4.807 463 HA ASP 65 HA ASP 65 5.711 -14.470 3.046 464 HB2 ASP 65 2HB ASP 65 3.660 -15.489 4.917 465 HB3 ASP 65 1HB ASP 65 3.692 -13.740 4.726 466 H LEU 66 H LEU 66 7.834 -13.774 3.882 467 HA LEU 66 HA LEU 66 7.478 -11.616 5.792 468 HB2 LEU 66 2HB LEU 66 8.397 -14.065 6.766 469 HB3 LEU 66 1HB LEU 66 9.859 -13.106 6.538 470 HG LEU 66 HG LEU 66 7.390 -12.223 8.059 471 HD11 LEU 66 1HD1 LEU 66 10.115 -13.219 8.902 472 HD12 LEU 66 2HD1 LEU 66 8.531 -13.808 9.410 473 HD13 LEU 66 3HD1 LEU 66 9.111 -12.240 9.972 474 HD21 LEU 66 1HD2 LEU 66 9.476 -10.538 8.709 475 HD22 LEU 66 2HD2 LEU 66 8.201 -10.161 7.551 476 HD23 LEU 66 3HD2 LEU 66 9.740 -10.811 6.987 477 H GLU 67 H GLU 67 8.194 -10.041 4.469 478 HA GLU 67 HA GLU 67 10.983 -9.961 3.783 479 HB2 GLU 67 2HB GLU 67 10.219 -9.565 1.251 480 HB3 GLU 67 1HB GLU 67 10.645 -11.166 1.855 481 HG2 GLU 67 2HG GLU 67 8.434 -10.982 0.573 482 HG3 GLU 67 1HG GLU 67 8.362 -11.774 2.143 483 HA PRO 68 HA PRO 68 10.154 -5.624 3.978 484 HB2 PRO 68 2HB PRO 68 11.870 -4.661 2.016 485 HB3 PRO 68 1HB PRO 68 12.353 -5.070 3.672 486 HG2 PRO 68 2HG PRO 68 12.662 -6.635 1.169 487 HG3 PRO 68 1HG PRO 68 13.741 -6.508 2.567 488 HD2 PRO 68 2HD PRO 68 12.160 -8.678 2.154 489 HD3 PRO 68 1HD PRO 68 12.585 -8.109 3.782 490 H TYR 69 H TYR 69 9.305 -3.783 2.695 491 HA TYR 69 HA TYR 69 7.908 -4.700 0.249 492 HB2 TYR 69 2HB TYR 69 6.646 -4.066 2.515 493 HB3 TYR 69 1HB TYR 69 6.816 -2.442 1.847 494 HD1 TYR 69 1HD TYR 69 5.487 -5.846 1.190 495 HD2 TYR 69 2HD TYR 69 5.566 -1.742 -0.076 496 HE1 TYR 69 1HE TYR 69 3.614 -6.292 -0.375 497 HE2 TYR 69 2HE TYR 69 3.696 -2.187 -1.640 498 HH TYR 69 HH TYR 69 2.788 -5.172 -2.616 499 H ALA 70 H ALA 70 8.177 -3.555 -1.554 500 HA ALA 70 HA ALA 70 9.486 -0.905 -1.356 501 HB1 ALA 70 1HB ALA 70 11.104 -1.573 -2.762 502 HB2 ALA 70 2HB ALA 70 9.924 -2.239 -3.891 503 HB3 ALA 70 3HB ALA 70 10.511 -3.222 -2.550 504 H TRP 71 H TRP 71 8.285 0.695 -2.135 505 HA TRP 71 HA TRP 71 6.269 0.078 -4.214 506 HB2 TRP 71 2HB TRP 71 4.739 0.711 -2.691 507 HB3 TRP 71 1HB TRP 71 5.975 1.340 -1.601 508 HD1 TRP 71 HD TRP 71 6.733 3.879 -1.919 509 HE1 TRP 71 1HE TRP 71 5.560 5.887 -3.034 510 HE3 TRP 71 3HE TRP 71 3.158 1.425 -4.619 511 HZ2 TRP 71 2HZ TRP 71 3.391 6.385 -4.833 512 HZ3 TRP 71 3HZ TRP 71 1.555 2.690 -6.023 513 HH2 TRP 71 HH TRP 71 1.666 5.163 -6.134 514 H ALA 72 H ALA 72 6.180 1.405 -5.951 515 HA ALA 72 HA ALA 72 7.646 3.943 -5.910 516 HB1 ALA 72 1HB ALA 72 8.130 2.222 -8.286 517 HB2 ALA 72 2HB ALA 72 8.994 1.802 -6.806 518 HB3 ALA 72 3HB ALA 72 9.186 3.406 -7.515 519 H GLY 73 H GLY 73 6.510 5.478 -6.917 520 HA2 GLY 73 2HA GLY 73 5.168 5.249 -9.354 521 HA3 GLY 73 1HA GLY 73 3.981 4.961 -8.086 522 H ALA 74 H ALA 74 2.959 6.929 -8.916 523 HA ALA 74 HA ALA 74 4.059 9.304 -7.578 524 HB1 ALA 74 1HB ALA 74 3.856 10.701 -9.457 525 HB2 ALA 74 2HB ALA 74 2.871 9.528 -10.334 526 HB3 ALA 74 3HB ALA 74 4.595 9.235 -10.104 527 H THR 75 H THR 75 2.421 11.035 -7.352 528 HA THR 75 HA THR 75 -0.240 9.849 -6.906 529 HB THR 75 HB THR 75 0.815 12.450 -5.789 530 HG1 THR 75 1HG THR 75 2.086 11.159 -4.723 531 HG21 THR 75 1HG2 THR 75 -1.343 10.588 -4.773 532 HG22 THR 75 2HG2 THR 75 -1.672 11.966 -5.824 533 HG23 THR 75 3HG2 THR 75 -0.988 12.225 -4.218 534 H TYR 76 H TYR 76 -1.727 10.292 -8.392 535 HA TYR 76 HA TYR 76 -1.453 12.729 -10.017 536 HB2 TYR 76 2HB TYR 76 -1.729 10.411 -11.064 537 HB3 TYR 76 1HB TYR 76 -3.395 10.470 -10.488 538 HD1 TYR 76 1HD TYR 76 -0.893 12.223 -12.616 539 HD2 TYR 76 2HD TYR 76 -5.041 11.790 -11.593 540 HE1 TYR 76 1HE TYR 76 -1.519 13.624 -14.564 541 HE2 TYR 76 2HE TYR 76 -5.668 13.191 -13.541 542 HH TYR 76 HH TYR 76 -3.745 13.800 -16.060 543 H ASN 77 H ASN 77 -2.502 14.439 -9.219 544 HA ASN 77 HA ASN 77 -4.933 14.066 -7.635 545 HB2 ASN 77 2HB ASN 77 -3.588 16.680 -8.314 546 HB3 ASN 77 1HB ASN 77 -4.676 16.332 -6.970 547 HD21 ASN 77 1HD2 ASN 77 -3.467 16.335 -5.071 548 HD22 ASN 77 2HD2 ASN 77 -1.938 15.621 -4.891 549 H THR 78 H THR 78 -6.917 15.032 -8.146 550 HA THR 78 HA THR 78 -7.798 14.864 -10.768 551 HB THR 78 HB THR 78 -9.682 16.421 -9.929 552 HG1 THR 78 1HG THR 78 -8.223 17.257 -8.249 553 HG21 THR 78 1HG2 THR 78 -10.612 14.613 -8.545 554 HG22 THR 78 2HG2 THR 78 -9.011 13.889 -8.402 555 HG23 THR 78 3HG2 THR 78 -9.811 13.953 -9.973 556 H ASP 79 H ASP 79 -5.985 17.361 -9.262 557 HA ASP 79 HA ASP 79 -6.749 19.455 -11.104 558 HB2 ASP 79 2HB ASP 79 -4.905 19.165 -8.801 559 HB3 ASP 79 1HB ASP 79 -4.448 20.359 -10.015 560 H ASN 80 H ASN 80 -5.417 16.742 -11.872 561 HA ASN 80 HA ASN 80 -4.017 16.010 -13.542 562 HB2 ASN 80 2HB ASN 80 -5.172 18.266 -14.523 563 HB3 ASN 80 1HB ASN 80 -3.469 18.711 -14.604 564 HD21 ASN 80 1HD2 ASN 80 -2.061 16.691 -15.494 565 HD22 ASN 80 2HD2 ASN 80 -2.707 15.956 -16.881 566 H THR 81 H THR 81 -2.955 16.837 -10.958 567 HA THR 81 HA THR 81 -0.291 17.867 -11.686 568 HB THR 81 HB THR 81 -1.320 17.415 -8.888 569 HG1 THR 81 1HG THR 81 -2.722 18.786 -10.163 570 HG21 THR 81 1HG2 THR 81 1.163 17.986 -9.714 571 HG22 THR 81 2HG2 THR 81 0.495 18.664 -8.228 572 HG23 THR 81 3HG2 THR 81 0.505 19.622 -9.710 573 H LEU 82 H LEU 82 1.565 16.721 -11.272 574 HA LEU 82 HA LEU 82 1.224 13.920 -10.372 575 HB2 LEU 82 2HB LEU 82 3.360 14.755 -12.312 576 HB3 LEU 82 1HB LEU 82 2.674 13.154 -12.037 577 HG LEU 82 HG LEU 82 0.439 14.470 -12.793 578 HD11 LEU 82 1HD1 LEU 82 1.937 16.536 -13.142 579 HD12 LEU 82 2HD1 LEU 82 0.871 16.092 -14.476 580 HD13 LEU 82 3HD1 LEU 82 2.585 15.681 -14.542 581 HD21 LEU 82 1HD2 LEU 82 2.569 13.163 -14.505 582 HD22 LEU 82 2HD2 LEU 82 0.975 13.595 -15.128 583 HD23 LEU 82 3HD2 LEU 82 1.124 12.415 -13.825 584 H VAL 83 H VAL 83 2.569 13.231 -8.804 585 HA VAL 83 HA VAL 83 4.954 14.844 -8.167 586 HB VAL 83 HB VAL 83 2.820 13.988 -6.201 587 HG11 VAL 83 1HG1 VAL 83 4.738 13.724 -4.930 588 HG12 VAL 83 2HG1 VAL 83 4.474 15.454 -4.718 589 HG13 VAL 83 3HG1 VAL 83 5.659 14.881 -5.890 590 HG21 VAL 83 1HG2 VAL 83 2.295 16.033 -7.479 591 HG22 VAL 83 2HG2 VAL 83 3.865 16.710 -7.048 592 HG23 VAL 83 3HG2 VAL 83 2.655 16.425 -5.796 593 HA PRO 84 HA PRO 84 5.965 10.309 -8.500 594 HB2 PRO 84 2HB PRO 84 8.653 11.589 -8.693 595 HB3 PRO 84 1HB PRO 84 7.949 10.288 -9.673 596 HG2 PRO 84 2HG PRO 84 8.186 12.770 -10.610 597 HG3 PRO 84 1HG PRO 84 6.805 11.741 -11.027 598 HD2 PRO 84 2HD PRO 84 6.920 14.075 -9.171 599 HD3 PRO 84 1HD PRO 84 5.569 13.487 -10.165 600 H ALA 85 H ALA 85 6.637 8.989 -6.848 601 HA ALA 85 HA ALA 85 8.318 10.030 -4.711 602 HB1 ALA 85 1HB ALA 85 6.318 10.744 -3.732 603 HB2 ALA 85 2HB ALA 85 6.544 9.144 -3.027 604 HB3 ALA 85 3HB ALA 85 5.409 9.368 -4.357 605 H ALA 86 H ALA 86 8.576 8.247 -2.976 606 HA ALA 86 HA ALA 86 8.095 5.535 -3.679 607 HB1 ALA 86 1HB ALA 86 10.176 6.659 -5.132 608 HB2 ALA 86 2HB ALA 86 9.911 4.936 -4.864 609 HB3 ALA 86 3HB ALA 86 10.994 5.837 -3.803 610 H GLY 87 H GLY 87 8.697 4.124 -2.029 611 HA2 GLY 87 2HA GLY 87 10.408 5.022 0.134 612 HA3 GLY 87 1HA GLY 87 8.703 4.896 0.558 613 H ALA 88 H ALA 88 9.550 3.268 2.100 614 HA ALA 88 HA ALA 88 9.545 0.609 0.836 615 HB1 ALA 88 1HB ALA 88 11.244 0.218 2.943 616 HB2 ALA 88 2HB ALA 88 11.724 1.824 2.395 617 HB3 ALA 88 3HB ALA 88 11.760 0.462 1.275 618 H GLY 89 H GLY 89 9.123 -1.130 2.459 619 HA2 GLY 89 2HA GLY 89 7.885 -0.324 4.959 620 HA3 GLY 89 1HA GLY 89 6.769 -0.956 3.752 621 H PHE 90 H PHE 90 6.353 -2.661 5.328 622 HA PHE 90 HA PHE 90 8.102 -4.941 4.866 623 HB2 PHE 90 2HB PHE 90 8.189 -3.452 7.326 624 HB3 PHE 90 1HB PHE 90 7.553 -5.069 7.632 625 HD1 PHE 90 1HD PHE 90 10.486 -3.109 6.796 626 HD2 PHE 90 2HD PHE 90 8.851 -7.081 6.814 627 HE1 PHE 90 1HE PHE 90 12.770 -4.048 6.581 628 HE2 PHE 90 2HE PHE 90 11.136 -8.022 6.597 629 HZ PHE 90 HZ PHE 90 13.095 -6.505 6.481 630 H ARG 91 H ARG 91 7.095 -6.950 5.304 631 HA ARG 91 HA ARG 91 4.232 -6.839 5.998 632 HB2 ARG 91 2HB ARG 91 4.387 -6.856 3.544 633 HB3 ARG 91 1HB ARG 91 5.390 -8.305 3.616 634 HG2 ARG 91 2HG ARG 91 3.604 -9.612 4.523 635 HG3 ARG 91 1HG ARG 91 2.626 -8.179 4.836 636 HD2 ARG 91 2HD ARG 91 1.803 -9.290 2.827 637 HD3 ARG 91 1HD ARG 91 2.528 -7.747 2.387 638 HE ARG 91 HE ARG 91 4.231 -8.905 1.283 639 HH11 ARG 91 1HH1 ARG 91 5.119 -10.809 0.419 640 HH12 ARG 91 2HH1 ARG 91 4.561 -12.351 0.978 641 HH21 ARG 91 1HH2 ARG 91 2.283 -11.009 3.222 642 HH22 ARG 91 2HH2 ARG 91 2.956 -12.462 2.566 643 H TYR 92 H TYR 92 3.794 -8.234 7.562 644 HA TYR 92 HA TYR 92 5.329 -10.751 7.715 645 HB2 TYR 92 2HB TYR 92 6.357 -9.599 9.449 646 HB3 TYR 92 1HB TYR 92 4.903 -8.683 9.840 647 HD1 TYR 92 1HD TYR 92 4.306 -9.192 12.048 648 HD2 TYR 92 2HD TYR 92 5.472 -12.367 9.398 649 HE1 TYR 92 1HE TYR 92 3.729 -10.860 13.788 650 HE2 TYR 92 2HE TYR 92 4.895 -14.032 11.139 651 HH TYR 92 HH TYR 92 4.772 -13.829 13.906 652 H LYS 93 H LYS 93 4.064 -12.491 7.842 653 HA LYS 93 HA LYS 93 1.231 -12.285 7.812 654 HB2 LYS 93 2HB LYS 93 2.678 -14.132 6.801 655 HB3 LYS 93 1HB LYS 93 2.787 -14.791 8.433 656 HG2 LYS 93 2HG LYS 93 0.344 -14.942 8.563 657 HG3 LYS 93 1HG LYS 93 0.200 -14.222 6.959 658 HD2 LYS 93 2HD LYS 93 1.620 -16.148 6.095 659 HD3 LYS 93 1HD LYS 93 1.408 -16.902 7.675 660 HE2 LYS 93 2HE LYS 93 -1.135 -16.482 7.268 661 HE3 LYS 93 1HE LYS 93 -0.666 -16.313 5.575 662 HZ1 LYS 93 1HZ LYS 93 -0.638 -18.507 5.438 663 HZ2 LYS 93 2HZ LYS 93 -0.974 -18.667 7.096 664 HZ3 LYS 93 3HZ LYS 93 0.634 -18.558 6.559 665 H VAL 94 H VAL 94 0.061 -11.704 9.525 666 HA VAL 94 HA VAL 94 0.885 -12.623 12.204 667 HB VAL 94 HB VAL 94 -0.734 -10.299 11.211 668 HG11 VAL 94 1HG1 VAL 94 -1.245 -9.977 13.744 669 HG12 VAL 94 2HG1 VAL 94 -0.965 -11.714 13.864 670 HG13 VAL 94 3HG1 VAL 94 -2.252 -11.099 12.827 671 HG21 VAL 94 1HG2 VAL 94 1.447 -10.630 13.298 672 HG22 VAL 94 2HG2 VAL 94 0.730 -9.099 12.800 673 HG23 VAL 94 3HG2 VAL 94 1.684 -10.038 11.653 674 H SER 95 H SER 95 -1.736 -12.647 9.867 675 HA SER 95 HA SER 95 -2.928 -14.923 11.226 676 HB2 SER 95 2HB SER 95 -3.971 -12.299 11.598 677 HB3 SER 95 1HB SER 95 -5.103 -13.191 10.587 678 HG SER 95 HG SER 95 -4.127 -13.809 13.165 679 HA PRO 96 HA PRO 96 -3.896 -16.094 7.098 680 HB2 PRO 96 2HB PRO 96 -6.275 -17.408 7.364 681 HB3 PRO 96 1HB PRO 96 -4.731 -18.071 7.934 682 HG2 PRO 96 2HG PRO 96 -6.898 -16.729 9.472 683 HG3 PRO 96 1HG PRO 96 -5.898 -18.124 9.910 684 HD2 PRO 96 2HD PRO 96 -5.433 -15.593 10.860 685 HD3 PRO 96 1HD PRO 96 -4.154 -16.812 10.659 686 H GLU 97 H GLU 97 -6.127 -14.070 8.797 687 HA GLU 97 HA GLU 97 -7.327 -13.212 6.229 688 HB2 GLU 97 2HB GLU 97 -8.656 -13.207 8.947 689 HB3 GLU 97 1HB GLU 97 -9.389 -12.710 7.422 690 HG2 GLU 97 2HG GLU 97 -8.534 -15.180 6.728 691 HG3 GLU 97 1HG GLU 97 -8.821 -15.438 8.448 692 H VAL 98 H VAL 98 -5.481 -12.345 8.926 693 HA VAL 98 HA VAL 98 -5.785 -9.486 8.243 694 HB VAL 98 HB VAL 98 -5.519 -10.635 11.032 695 HG11 VAL 98 1HG1 VAL 98 -4.976 -8.007 9.880 696 HG12 VAL 98 2HG1 VAL 98 -4.596 -8.624 11.488 697 HG13 VAL 98 3HG1 VAL 98 -6.185 -7.934 11.162 698 HG21 VAL 98 1HG2 VAL 98 -7.773 -10.748 10.919 699 HG22 VAL 98 2HG2 VAL 98 -7.797 -9.942 9.351 700 HG23 VAL 98 3HG2 VAL 98 -7.772 -8.985 10.831 701 H LYS 99 H LYS 99 -3.924 -8.821 7.423 702 HA LYS 99 HA LYS 99 -1.405 -9.966 8.472 703 HB2 LYS 99 2HB LYS 99 -2.244 -9.003 5.764 704 HB3 LYS 99 1HB LYS 99 -0.546 -8.890 6.227 705 HG2 LYS 99 2HG LYS 99 -0.296 -11.197 6.400 706 HG3 LYS 99 1HG LYS 99 -2.013 -11.464 6.700 707 HD2 LYS 99 2HD LYS 99 -1.186 -10.310 4.063 708 HD3 LYS 99 1HD LYS 99 -0.960 -12.037 4.337 709 HE2 LYS 99 2HE LYS 99 -3.232 -12.450 4.496 710 HE3 LYS 99 1HE LYS 99 -3.594 -10.826 5.078 711 HZ1 LYS 99 1HZ LYS 99 -3.211 -9.953 2.893 712 HZ2 LYS 99 2HZ LYS 99 -4.336 -11.221 2.781 713 HZ3 LYS 99 3HZ LYS 99 -2.722 -11.469 2.314 714 H LEU 100 H LEU 100 0.383 -8.542 8.788 715 HA LEU 100 HA LEU 100 -0.466 -5.825 9.534 716 HB2 LEU 100 2HB LEU 100 0.701 -7.412 11.174 717 HB3 LEU 100 1HB LEU 100 2.163 -7.129 10.227 718 HG LEU 100 HG LEU 100 1.365 -4.578 10.543 719 HD11 LEU 100 1HD1 LEU 100 0.640 -5.760 13.212 720 HD12 LEU 100 2HD1 LEU 100 -0.589 -5.600 11.956 721 HD13 LEU 100 3HD1 LEU 100 0.248 -4.169 12.560 722 HD21 LEU 100 1HD2 LEU 100 3.566 -5.222 11.158 723 HD22 LEU 100 2HD2 LEU 100 2.981 -6.355 12.378 724 HD23 LEU 100 3HD2 LEU 100 2.854 -4.617 12.654 725 H VAL 101 H VAL 101 0.362 -4.034 8.602 726 HA VAL 101 HA VAL 101 2.618 -4.329 6.729 727 HB VAL 101 HB VAL 101 -0.120 -3.233 6.147 728 HG11 VAL 101 1HG1 VAL 101 2.533 -2.364 5.019 729 HG12 VAL 101 2HG1 VAL 101 1.149 -1.374 5.481 730 HG13 VAL 101 3HG1 VAL 101 1.090 -2.343 4.008 731 HG21 VAL 101 1HG2 VAL 101 0.489 -5.564 5.509 732 HG22 VAL 101 2HG2 VAL 101 1.836 -4.933 4.564 733 HG23 VAL 101 3HG2 VAL 101 0.178 -4.551 4.099 734 H VAL 102 H VAL 102 3.964 -2.569 6.598 735 HA VAL 102 HA VAL 102 3.237 -0.090 7.937 736 HB VAL 102 HB VAL 102 5.351 -0.091 9.242 737 HG11 VAL 102 1HG1 VAL 102 3.650 -2.527 9.839 738 HG12 VAL 102 2HG1 VAL 102 3.145 -0.873 10.189 739 HG13 VAL 102 3HG1 VAL 102 4.559 -1.553 10.994 740 HG21 VAL 102 1HG2 VAL 102 6.928 -1.573 8.578 741 HG22 VAL 102 2HG2 VAL 102 5.750 -2.543 7.695 742 HG23 VAL 102 3HG2 VAL 102 5.986 -2.799 9.423 743 H GLU 103 H GLU 103 3.555 1.276 6.346 744 HA GLU 103 HA GLU 103 5.999 1.046 4.695 745 HB2 GLU 103 2HB GLU 103 3.897 0.719 3.434 746 HB3 GLU 103 1HB GLU 103 3.351 2.313 3.959 747 HG2 GLU 103 2HG GLU 103 5.210 3.383 2.822 748 HG3 GLU 103 1HG GLU 103 5.908 1.818 2.409 749 H TYR 104 H TYR 104 7.073 2.974 4.098 750 HA TYR 104 HA TYR 104 6.369 5.378 5.658 751 HB2 TYR 104 2HB TYR 104 9.247 4.988 5.342 752 HB3 TYR 104 1HB TYR 104 8.322 5.413 6.781 753 HD1 TYR 104 1HD TYR 104 10.047 2.786 5.019 754 HD2 TYR 104 2HD TYR 104 7.057 3.556 8.005 755 HE1 TYR 104 1HE TYR 104 10.294 0.467 5.865 756 HE2 TYR 104 2HE TYR 104 7.302 1.236 8.849 757 HH TYR 104 HH TYR 104 9.889 -0.773 7.969 758 H GLY 105 H GLY 105 5.979 6.933 4.225 759 HA2 GLY 105 2HA GLY 105 6.851 6.863 1.520 760 HA3 GLY 105 1HA GLY 105 6.086 8.229 2.323 761 H TRP 106 H TRP 106 8.483 7.943 0.479 762 HA TRP 106 HA TRP 106 10.258 9.677 2.050 763 HB2 TRP 106 2HB TRP 106 10.877 6.978 1.345 764 HB3 TRP 106 1HB TRP 106 11.909 8.049 0.400 765 HD1 TRP 106 HD TRP 106 12.846 10.236 2.088 766 HE1 TRP 106 1HE TRP 106 14.041 9.942 4.354 767 HE3 TRP 106 3HE TRP 106 11.310 5.518 3.290 768 HZ2 TRP 106 2HZ TRP 106 14.310 7.967 6.405 769 HZ3 TRP 106 3HZ TRP 106 12.048 4.455 5.403 770 HH2 TRP 106 HH TRP 106 13.546 5.672 6.961 771 H ASN 107 H ASN 107 11.664 10.989 0.731 772 HA ASN 107 HA ASN 107 10.934 11.121 -2.122 773 HB2 ASN 107 2HB ASN 107 10.208 13.025 -0.088 774 HB3 ASN 107 1HB ASN 107 11.297 13.776 -1.251 775 HD21 ASN 107 1HD2 ASN 107 10.528 14.098 -3.419 776 HD22 ASN 107 2HD2 ASN 107 8.928 13.764 -3.876 777 H ASN 108 H ASN 108 12.432 12.705 -3.285 778 HA ASN 108 HA ASN 108 15.040 11.853 -3.219 779 HB2 ASN 108 2HB ASN 108 15.142 13.205 -4.999 780 HB3 ASN 108 1HB ASN 108 13.578 13.886 -4.557 781 HD21 ASN 108 1HD2 ASN 108 13.577 15.873 -3.242 782 HD22 ASN 108 2HD2 ASN 108 14.970 16.837 -3.131 783 H SER 109 H SER 109 13.698 14.713 -1.579 784 HA SER 109 HA SER 109 15.546 14.460 0.601 785 HB2 SER 109 2HB SER 109 17.016 15.487 -1.123 786 HB3 SER 109 1HB SER 109 15.894 16.839 -1.240 787 HG SER 109 HG SER 109 17.846 16.806 0.329 788 H SER 110 H SER 110 13.307 14.392 1.447 789 HA SER 110 HA SER 110 12.553 17.002 2.440 790 HB2 SER 110 2HB SER 110 11.233 15.975 0.136 791 HB3 SER 110 1HB SER 110 10.108 15.881 1.487 792 HG SER 110 HG SER 110 9.864 17.936 1.087 793 H LEU 111 H LEU 111 10.697 16.816 3.995 794 HA LEU 111 HA LEU 111 11.177 14.939 5.966 795 HB2 LEU 111 2HB LEU 111 8.577 16.360 5.338 796 HB3 LEU 111 1HB LEU 111 8.940 15.537 6.856 797 HG LEU 111 HG LEU 111 10.905 17.560 5.876 798 HD11 LEU 111 1HD1 LEU 111 9.491 19.276 7.200 799 HD12 LEU 111 2HD1 LEU 111 8.148 18.162 6.945 800 HD13 LEU 111 3HD1 LEU 111 8.970 18.883 5.562 801 HD21 LEU 111 1HD2 LEU 111 11.453 17.710 8.139 802 HD22 LEU 111 2HD2 LEU 111 10.915 16.033 8.032 803 HD23 LEU 111 3HD2 LEU 111 9.828 17.269 8.664 804 H GLN 112 H GLN 112 10.261 12.987 6.571 805 HA GLN 112 HA GLN 112 8.834 11.552 4.417 806 HB2 GLN 112 2HB GLN 112 9.659 9.499 5.707 807 HB3 GLN 112 1HB GLN 112 10.882 10.442 4.852 808 HG2 GLN 112 2HG GLN 112 11.749 11.351 6.810 809 HG3 GLN 112 1HG GLN 112 10.243 11.129 7.700 810 HE21 GLN 112 1HE2 GLN 112 11.855 10.099 9.326 811 HE22 GLN 112 2HE2 GLN 112 12.199 8.449 9.122 812 H PHE 113 H PHE 113 7.402 9.748 5.267 813 HA PHE 113 HA PHE 113 6.040 10.505 7.770 814 HB2 PHE 113 2HB PHE 113 4.049 9.614 5.975 815 HB3 PHE 113 1HB PHE 113 4.246 11.234 6.644 816 HD1 PHE 113 1HD PHE 113 4.340 9.245 3.673 817 HD2 PHE 113 2HD PHE 113 5.958 12.795 5.471 818 HE1 PHE 113 1HE PHE 113 4.967 10.096 1.429 819 HE2 PHE 113 2HE PHE 113 6.584 13.646 3.228 820 HZ PHE 113 HZ PHE 113 6.089 12.297 1.206 821 H LEU 114 H LEU 114 4.835 8.804 8.748 822 HA LEU 114 HA LEU 114 5.751 6.117 7.917 823 HB2 LEU 114 2HB LEU 114 5.213 7.390 10.565 824 HB3 LEU 114 1HB LEU 114 4.919 5.657 10.396 825 HG LEU 114 HG LEU 114 7.209 5.324 9.579 826 HD11 LEU 114 1HD1 LEU 114 8.692 7.504 10.009 827 HD12 LEU 114 2HD1 LEU 114 7.171 8.313 9.626 828 HD13 LEU 114 3HD1 LEU 114 7.906 7.219 8.456 829 HD21 LEU 114 1HD2 LEU 114 6.481 6.277 12.205 830 HD22 LEU 114 2HD2 LEU 114 8.130 6.781 11.832 831 HD23 LEU 114 3HD2 LEU 114 7.694 5.074 11.767 832 H GLN 115 H GLN 115 4.286 4.425 7.762 833 HA GLN 115 HA GLN 115 1.431 5.085 8.092 834 HB2 GLN 115 2HB GLN 115 2.338 3.465 5.736 835 HB3 GLN 115 1HB GLN 115 0.848 4.386 5.950 836 HG2 GLN 115 2HG GLN 115 2.307 6.480 5.998 837 HG3 GLN 115 1HG GLN 115 3.629 5.458 5.440 838 HE21 GLN 115 1HE2 GLN 115 3.847 6.057 3.255 839 HE22 GLN 115 2HE2 GLN 115 2.574 6.030 2.132 840 H ALA 116 H ALA 116 0.165 3.436 8.818 841 HA ALA 116 HA ALA 116 1.297 0.732 8.979 842 HB1 ALA 116 1HB ALA 116 1.620 2.290 11.126 843 HB2 ALA 116 2HB ALA 116 1.256 0.569 11.267 844 HB3 ALA 116 3HB ALA 116 -0.033 1.760 11.436 845 H GLY 117 H GLY 117 -0.240 -0.889 8.961 846 HA2 GLY 117 2HA GLY 117 -2.975 -0.587 9.543 847 HA3 GLY 117 1HA GLY 117 -2.748 -0.324 7.818 848 H LEU 118 H LEU 118 -4.131 -2.251 7.640 849 HA LEU 118 HA LEU 118 -2.474 -4.668 7.532 850 HB2 LEU 118 2HB LEU 118 -4.520 -5.947 8.445 851 HB3 LEU 118 1HB LEU 118 -3.514 -5.078 9.604 852 HG LEU 118 HG LEU 118 -5.671 -3.462 8.406 853 HD11 LEU 118 1HD1 LEU 118 -6.298 -5.758 10.287 854 HD12 LEU 118 2HD1 LEU 118 -6.838 -5.620 8.614 855 HD13 LEU 118 3HD1 LEU 118 -7.423 -4.481 9.828 856 HD21 LEU 118 1HD2 LEU 118 -5.863 -2.682 10.708 857 HD22 LEU 118 2HD2 LEU 118 -4.155 -2.756 10.274 858 HD23 LEU 118 3HD2 LEU 118 -4.866 -4.021 11.278 859 H SER 119 H SER 119 -3.663 -6.443 6.335 860 HA SER 119 HA SER 119 -5.381 -5.285 4.220 861 HB2 SER 119 2HB SER 119 -4.219 -6.438 2.572 862 HB3 SER 119 1HB SER 119 -2.917 -5.993 3.673 863 HG SER 119 HG SER 119 -3.431 -8.366 2.884 864 H TYR 120 H TYR 120 -6.919 -6.719 3.262 865 HA TYR 120 HA TYR 120 -7.485 -9.179 4.783 866 HB2 TYR 120 2HB TYR 120 -8.945 -7.566 5.790 867 HB3 TYR 120 1HB TYR 120 -9.419 -6.926 4.216 868 HD1 TYR 120 1HD TYR 120 -9.526 -9.991 6.342 869 HD2 TYR 120 2HD TYR 120 -11.205 -7.886 2.995 870 HE1 TYR 120 1HE TYR 120 -11.359 -11.657 6.214 871 HE2 TYR 120 2HE TYR 120 -13.037 -9.553 2.866 872 HH TYR 120 HH TYR 120 -14.161 -11.189 4.652 873 H ARG 121 H ARG 121 -8.018 -10.861 3.521 874 HA ARG 121 HA ARG 121 -8.062 -10.495 0.649 875 HB2 ARG 121 2HB ARG 121 -8.141 -12.894 2.472 876 HB3 ARG 121 1HB ARG 121 -8.399 -13.047 0.733 877 HG2 ARG 121 2HG ARG 121 -6.232 -12.179 0.235 878 HG3 ARG 121 1HG ARG 121 -5.998 -11.620 1.892 879 HD2 ARG 121 2HD ARG 121 -5.743 -13.825 2.718 880 HD3 ARG 121 1HD ARG 121 -6.424 -14.539 1.259 881 HE ARG 121 HE ARG 121 -3.972 -13.034 0.851 882 HH11 ARG 121 1HH1 ARG 121 -2.209 -14.267 0.119 883 HH12 ARG 121 2HH1 ARG 121 -2.284 -15.996 0.184 884 HH21 ARG 121 1HH2 ARG 121 -5.470 -16.073 1.548 885 HH22 ARG 121 2HH2 ARG 121 -4.131 -17.019 0.993 886 H ILE 122 H ILE 122 -9.779 -10.806 -0.722 887 HA ILE 122 HA ILE 122 -12.416 -10.508 0.441 888 HB ILE 122 HB ILE 122 -11.522 -10.717 -2.443 889 HG12 ILE 122 2HG1 ILE 122 -10.865 -8.716 -0.819 890 HG13 ILE 122 1HG1 ILE 122 -11.377 -8.405 -2.475 891 HG21 ILE 122 1HG2 ILE 122 -14.191 -10.182 -1.142 892 HG22 ILE 122 2HG2 ILE 122 -13.805 -11.323 -2.429 893 HG23 ILE 122 3HG2 ILE 122 -13.828 -9.593 -2.765 894 HD11 ILE 122 1HD1 ILE 122 -12.490 -7.014 -0.601 895 HD12 ILE 122 2HD1 ILE 122 -13.376 -8.487 -0.211 896 HD13 ILE 122 3HD1 ILE 122 -13.549 -7.747 -1.803 897 H GLN 123 H GLN 123 -10.759 -12.891 -1.622 898 HA GLN 123 HA GLN 123 -12.605 -14.940 -0.611 899 HB2 GLN 123 2HB GLN 123 -12.331 -14.016 -3.404 900 HB3 GLN 123 1HB GLN 123 -12.316 -15.765 -3.184 901 HG2 GLN 123 2HG GLN 123 -14.457 -15.777 -2.189 902 HG3 GLN 123 1HG GLN 123 -14.398 -14.051 -1.836 903 HE21 GLN 123 1HE2 GLN 123 -14.169 -16.172 -4.760 904 HE22 GLN 123 2HE2 GLN 123 -15.144 -15.175 -5.727 905 HA PRO 124 HA PRO 124 -8.906 -17.330 -0.282 906 HB2 PRO 124 2HB PRO 124 -9.813 -19.873 -0.753 907 HB3 PRO 124 1HB PRO 124 -10.112 -18.989 0.756 908 HG2 PRO 124 2HG PRO 124 -11.912 -19.427 -1.570 909 HG3 PRO 124 1HG PRO 124 -12.285 -19.411 0.161 910 HD2 PRO 124 2HD PRO 124 -12.814 -17.298 -1.497 911 HD3 PRO 124 1HD PRO 124 -12.477 -17.113 0.238 Start of MODEL 9 1 H1 MET 1 1HT MET 1 -6.082 -22.508 -2.984 2 H2 MET 1 2HT MET 1 -6.617 -23.812 -3.933 3 H3 MET 1 3HT MET 1 -7.009 -22.218 -4.375 4 HA MET 1 HA MET 1 -4.494 -23.679 -4.687 5 HB2 MET 1 2HB MET 1 -5.914 -21.547 -6.315 6 HB3 MET 1 1HB MET 1 -4.499 -22.471 -6.827 7 HG2 MET 1 2HG MET 1 -5.798 -24.563 -6.642 8 HG3 MET 1 1HG MET 1 -7.213 -23.639 -6.139 9 HE1 MET 1 1HE MET 1 -8.309 -25.044 -7.920 10 HE2 MET 1 2HE MET 1 -8.714 -24.257 -9.442 11 HE3 MET 1 3HE MET 1 -9.066 -23.445 -7.919 12 H GLN 2 H GLN 2 -4.164 -22.409 -2.408 13 HA GLN 2 HA GLN 2 -3.104 -20.699 -1.269 14 HB2 GLN 2 2HB GLN 2 -1.460 -20.990 -3.788 15 HB3 GLN 2 1HB GLN 2 -0.959 -19.998 -2.420 16 HG2 GLN 2 2HG GLN 2 0.035 -22.232 -2.243 17 HG3 GLN 2 1HG GLN 2 -1.125 -21.979 -0.939 18 HE21 GLN 2 1HE2 GLN 2 -0.761 -23.546 -4.143 19 HE22 GLN 2 2HE2 GLN 2 -1.983 -24.698 -3.887 20 H ASP 3 H ASP 3 -2.048 -19.236 -4.229 21 HA ASP 3 HA ASP 3 -4.152 -17.202 -4.147 22 HB2 ASP 3 2HB ASP 3 -2.313 -15.418 -4.209 23 HB3 ASP 3 1HB ASP 3 -2.640 -16.174 -2.650 24 H GLY 4 H GLY 4 -4.752 -17.926 -6.204 25 HA2 GLY 4 2HA GLY 4 -2.849 -18.096 -8.363 26 HA3 GLY 4 1HA GLY 4 -4.598 -18.230 -8.498 27 HA PRO 5 HA PRO 5 -3.065 -14.022 -9.993 28 HB2 PRO 5 2HB PRO 5 -3.531 -14.368 -12.663 29 HB3 PRO 5 1HB PRO 5 -1.989 -14.769 -11.885 30 HG2 PRO 5 2HG PRO 5 -4.211 -16.557 -12.715 31 HG3 PRO 5 1HG PRO 5 -2.460 -16.823 -12.778 32 HD2 PRO 5 2HD PRO 5 -4.100 -17.888 -10.832 33 HD3 PRO 5 1HD PRO 5 -2.365 -17.573 -10.601 34 H GLY 6 H GLY 6 -4.485 -12.340 -10.219 35 HA2 GLY 6 2HA GLY 6 -6.470 -11.288 -11.012 36 HA3 GLY 6 1HA GLY 6 -7.209 -12.877 -11.189 37 H THR 7 H THR 7 -5.479 -12.517 -8.291 38 HA THR 7 HA THR 7 -7.807 -12.814 -6.682 39 HB THR 7 HB THR 7 -5.639 -11.884 -5.093 40 HG1 THR 7 1HG THR 7 -4.560 -12.405 -7.203 41 HG21 THR 7 1HG2 THR 7 -5.641 -14.241 -4.338 42 HG22 THR 7 2HG2 THR 7 -6.657 -14.672 -5.715 43 HG23 THR 7 3HG2 THR 7 -7.280 -13.599 -4.460 44 H LEU 8 H LEU 8 -8.489 -11.352 -4.965 45 HA LEU 8 HA LEU 8 -7.856 -8.517 -5.396 46 HB2 LEU 8 2HB LEU 8 -10.403 -8.101 -5.150 47 HB3 LEU 8 1HB LEU 8 -9.791 -8.624 -6.721 48 HG LEU 8 HG LEU 8 -10.488 -10.813 -4.855 49 HD11 LEU 8 1HD1 LEU 8 -12.372 -9.518 -4.270 50 HD12 LEU 8 2HD1 LEU 8 -12.954 -10.509 -5.607 51 HD13 LEU 8 3HD1 LEU 8 -12.509 -8.825 -5.885 52 HD21 LEU 8 1HD2 LEU 8 -11.232 -11.853 -6.876 53 HD22 LEU 8 2HD2 LEU 8 -9.775 -10.960 -7.311 54 HD23 LEU 8 3HD2 LEU 8 -11.363 -10.303 -7.708 55 H ASP 9 H ASP 9 -7.489 -7.548 -3.508 56 HA ASP 9 HA ASP 9 -8.892 -8.514 -1.103 57 HB2 ASP 9 2HB ASP 9 -6.410 -7.838 -0.132 58 HB3 ASP 9 1HB ASP 9 -6.969 -9.484 -0.432 59 H VAL 10 H VAL 10 -9.129 -6.967 0.549 60 HA VAL 10 HA VAL 10 -8.771 -4.178 -0.363 61 HB VAL 10 HB VAL 10 -11.101 -4.766 0.003 62 HG11 VAL 10 1HG1 VAL 10 -10.293 -5.466 2.840 63 HG12 VAL 10 2HG1 VAL 10 -10.589 -6.664 1.580 64 HG13 VAL 10 3HG1 VAL 10 -11.899 -5.616 2.124 65 HG21 VAL 10 1HG2 VAL 10 -11.578 -2.830 1.122 66 HG22 VAL 10 2HG2 VAL 10 -9.829 -2.602 1.070 67 HG23 VAL 10 3HG2 VAL 10 -10.588 -3.275 2.513 68 H PHE 11 H PHE 11 -7.597 -2.773 0.842 69 HA PHE 11 HA PHE 11 -6.893 -3.440 3.595 70 HB2 PHE 11 2HB PHE 11 -4.557 -3.504 3.286 71 HB3 PHE 11 1HB PHE 11 -5.194 -4.508 1.982 72 HD1 PHE 11 1HD PHE 11 -5.593 -3.400 -0.306 73 HD2 PHE 11 2HD PHE 11 -3.235 -1.611 2.807 74 HE1 PHE 11 1HE PHE 11 -4.517 -1.914 -1.974 75 HE2 PHE 11 2HE PHE 11 -2.158 -0.125 1.139 76 HZ PHE 11 HZ PHE 11 -2.799 -0.278 -1.252 77 H VAL 12 H VAL 12 -6.451 -1.681 4.830 78 HA VAL 12 HA VAL 12 -6.612 0.951 3.492 79 HB VAL 12 HB VAL 12 -7.434 1.800 5.655 80 HG11 VAL 12 1HG1 VAL 12 -9.598 0.505 5.677 81 HG12 VAL 12 2HG1 VAL 12 -8.866 -0.628 4.541 82 HG13 VAL 12 3HG1 VAL 12 -9.108 1.057 4.075 83 HG21 VAL 12 1HG2 VAL 12 -6.847 0.606 7.485 84 HG22 VAL 12 2HG2 VAL 12 -6.486 -0.824 6.519 85 HG23 VAL 12 3HG2 VAL 12 -8.140 -0.512 7.049 86 H ALA 13 H ALA 13 -5.299 2.684 4.419 87 HA ALA 13 HA ALA 13 -3.132 1.962 6.186 88 HB1 ALA 13 1HB ALA 13 -1.945 3.197 3.864 89 HB2 ALA 13 2HB ALA 13 -2.746 1.691 3.411 90 HB3 ALA 13 3HB ALA 13 -1.506 1.690 4.667 91 H ALA 14 H ALA 14 -3.225 3.577 7.539 92 HA ALA 14 HA ALA 14 -3.692 6.316 6.542 93 HB1 ALA 14 1HB ALA 14 -3.815 6.203 9.385 94 HB2 ALA 14 2HB ALA 14 -4.766 4.858 8.753 95 HB3 ALA 14 3HB ALA 14 -5.130 6.508 8.250 96 H GLY 15 H GLY 15 -2.039 7.696 6.562 97 HA2 GLY 15 2HA GLY 15 0.274 7.118 8.323 98 HA3 GLY 15 1HA GLY 15 0.455 7.711 6.677 99 H TRP 16 H TRP 16 1.636 9.072 8.730 100 HA TRP 16 HA TRP 16 0.064 11.570 8.779 101 HB2 TRP 16 2HB TRP 16 1.768 10.759 11.120 102 HB3 TRP 16 1HB TRP 16 0.472 11.952 11.054 103 HD1 TRP 16 HD TRP 16 -1.989 11.125 11.323 104 HE1 TRP 16 1HE TRP 16 -3.031 8.863 11.988 105 HE3 TRP 16 3HE TRP 16 2.115 8.112 10.929 106 HZ2 TRP 16 2HZ TRP 16 -2.231 6.136 12.310 107 HZ3 TRP 16 3HZ TRP 16 1.947 5.689 11.421 108 HH2 TRP 16 HH TRP 16 -0.218 4.697 12.111 109 H ASN 17 H ASN 17 1.297 13.481 8.775 110 HA ASN 17 HA ASN 17 4.095 13.102 7.899 111 HB2 ASN 17 2HB ASN 17 2.139 14.296 6.504 112 HB3 ASN 17 1HB ASN 17 2.695 15.681 7.441 113 HD21 ASN 17 1HD2 ASN 17 3.235 14.085 4.553 114 HD22 ASN 17 2HD2 ASN 17 4.843 14.560 4.281 115 H THR 18 H THR 18 5.726 14.380 8.760 116 HA THR 18 HA THR 18 5.678 14.999 11.449 117 HB THR 18 HB THR 18 7.647 16.519 10.906 118 HG1 THR 18 1HG THR 18 7.728 15.495 8.364 119 HG21 THR 18 1HG2 THR 18 9.065 14.629 10.210 120 HG22 THR 18 2HG2 THR 18 7.629 13.722 9.738 121 HG23 THR 18 3HG2 THR 18 7.900 14.124 11.434 122 H ASP 19 H ASP 19 4.377 16.793 8.808 123 HA ASP 19 HA ASP 19 4.329 19.358 10.091 124 HB2 ASP 19 2HB ASP 19 2.436 18.506 7.914 125 HB3 ASP 19 1HB ASP 19 3.126 20.099 8.216 126 H ASN 20 H ASN 20 3.064 16.776 11.295 127 HA ASN 20 HA ASN 20 1.283 16.270 12.653 128 HB2 ASN 20 2HB ASN 20 0.797 19.254 12.664 129 HB3 ASN 20 1HB ASN 20 0.280 18.086 13.878 130 HD21 ASN 20 1HD2 ASN 20 2.352 20.487 13.782 131 HD22 ASN 20 2HD2 ASN 20 3.701 19.825 14.571 132 H THR 21 H THR 21 0.621 15.623 10.231 133 HA THR 21 HA THR 21 -2.149 16.586 9.930 134 HB THR 21 HB THR 21 -0.360 16.057 7.557 135 HG1 THR 21 1HG THR 21 0.310 17.869 8.903 136 HG21 THR 21 1HG2 THR 21 -2.121 17.051 6.301 137 HG22 THR 21 2HG2 THR 21 -2.900 17.682 7.752 138 HG23 THR 21 3HG2 THR 21 -2.917 15.948 7.424 139 H ILE 22 H ILE 22 -3.616 15.040 9.252 140 HA ILE 22 HA ILE 22 -2.640 12.269 9.380 141 HB ILE 22 HB ILE 22 -4.518 13.094 10.879 142 HG12 ILE 22 2HG1 ILE 22 -5.082 10.808 8.963 143 HG13 ILE 22 1HG1 ILE 22 -4.128 10.702 10.443 144 HG21 ILE 22 1HG2 ILE 22 -6.630 13.577 9.977 145 HG22 ILE 22 2HG2 ILE 22 -6.257 12.802 8.439 146 HG23 ILE 22 3HG2 ILE 22 -5.540 14.364 8.836 147 HD11 ILE 22 1HD1 ILE 22 -6.221 9.962 11.174 148 HD12 ILE 22 2HD1 ILE 22 -7.093 11.082 10.127 149 HD13 ILE 22 3HD1 ILE 22 -6.287 11.678 11.577 150 H GLU 23 H GLU 23 -2.993 10.795 7.759 151 HA GLU 23 HA GLU 23 -4.349 11.731 5.316 152 HB2 GLU 23 2HB GLU 23 -1.984 12.119 4.923 153 HB3 GLU 23 1HB GLU 23 -1.596 10.479 5.442 154 HG2 GLU 23 2HG GLU 23 -2.291 9.550 3.479 155 HG3 GLU 23 1HG GLU 23 -3.631 10.682 3.302 156 H ILE 24 H ILE 24 -5.996 10.352 5.118 157 HA ILE 24 HA ILE 24 -5.558 7.499 5.736 158 HB ILE 24 HB ILE 24 -8.128 9.068 5.423 159 HG12 ILE 24 2HG1 ILE 24 -7.094 7.755 7.931 160 HG13 ILE 24 1HG1 ILE 24 -6.572 9.383 7.494 161 HG21 ILE 24 1HG2 ILE 24 -9.032 7.031 5.053 162 HG22 ILE 24 2HG2 ILE 24 -8.630 6.660 6.731 163 HG23 ILE 24 3HG2 ILE 24 -7.518 6.212 5.437 164 HD11 ILE 24 1HD1 ILE 24 -8.609 9.276 9.011 165 HD12 ILE 24 2HD1 ILE 24 -9.485 8.576 7.650 166 HD13 ILE 24 3HD1 ILE 24 -8.826 10.208 7.529 167 H THR 25 H THR 25 -5.235 6.181 4.072 168 HA THR 25 HA THR 25 -6.615 6.734 1.525 169 HB THR 25 HB THR 25 -4.374 7.509 1.146 170 HG1 THR 25 1HG THR 25 -4.072 4.950 0.144 171 HG21 THR 25 1HG2 THR 25 -2.424 6.020 1.589 172 HG22 THR 25 2HG2 THR 25 -3.514 4.871 2.364 173 HG23 THR 25 3HG2 THR 25 -3.278 6.473 3.064 174 H GLY 26 H GLY 26 -7.386 4.958 0.474 175 HA2 GLY 26 2HA GLY 26 -6.572 2.284 1.334 176 HA3 GLY 26 1HA GLY 26 -8.256 2.723 1.609 177 H GLY 27 H GLY 27 -7.405 0.600 -0.072 178 HA2 GLY 27 2HA GLY 27 -8.930 1.149 -2.405 179 HA3 GLY 27 1HA GLY 27 -7.212 1.165 -2.791 180 H ALA 28 H ALA 28 -7.466 -0.688 -4.115 181 HA ALA 28 HA ALA 28 -7.612 -3.203 -2.577 182 HB1 ALA 28 1HB ALA 28 -9.752 -2.761 -3.838 183 HB2 ALA 28 2HB ALA 28 -8.932 -4.259 -4.281 184 HB3 ALA 28 3HB ALA 28 -8.813 -2.844 -5.329 185 H THR 29 H THR 29 -6.207 -4.798 -3.222 186 HA THR 29 HA THR 29 -4.207 -4.000 -5.249 187 HB THR 29 HB THR 29 -3.985 -5.872 -2.881 188 HG1 THR 29 1HG THR 29 -3.628 -3.252 -3.225 189 HG21 THR 29 1HG2 THR 29 -2.331 -5.487 -5.305 190 HG22 THR 29 2HG2 THR 29 -2.447 -6.879 -4.228 191 HG23 THR 29 3HG2 THR 29 -1.450 -5.495 -3.778 192 H TYR 30 H TYR 30 -4.024 -5.165 -7.054 193 HA TYR 30 HA TYR 30 -5.535 -7.694 -7.240 194 HB2 TYR 30 2HB TYR 30 -5.085 -5.443 -9.051 195 HB3 TYR 30 1HB TYR 30 -4.771 -7.005 -9.809 196 HD1 TYR 30 1HD TYR 30 -7.309 -4.899 -8.157 197 HD2 TYR 30 2HD TYR 30 -6.539 -8.651 -10.101 198 HE1 TYR 30 1HE TYR 30 -9.750 -5.300 -8.348 199 HE2 TYR 30 2HE TYR 30 -8.979 -9.053 -10.292 200 HH TYR 30 HH TYR 30 -11.048 -8.343 -9.210 201 H GLN 31 H GLN 31 -4.367 -9.489 -7.095 202 HA GLN 31 HA GLN 31 -1.495 -9.411 -7.650 203 HB2 GLN 31 2HB GLN 31 -3.016 -10.716 -5.738 204 HB3 GLN 31 1HB GLN 31 -2.616 -11.995 -6.884 205 HG2 GLN 31 2HG GLN 31 -0.210 -11.171 -6.778 206 HG3 GLN 31 1HG GLN 31 -0.704 -10.171 -5.414 207 HE21 GLN 31 1HE2 GLN 31 -2.724 -12.558 -4.849 208 HE22 GLN 31 2HE2 GLN 31 -1.750 -13.646 -3.983 209 H LEU 32 H LEU 32 -0.929 -9.693 -9.713 210 HA LEU 32 HA LEU 32 -2.507 -11.510 -11.405 211 HB2 LEU 32 2HB LEU 32 -0.700 -9.192 -11.917 212 HB3 LEU 32 1HB LEU 32 -0.796 -10.451 -13.147 213 HG LEU 32 HG LEU 32 -3.217 -10.211 -13.273 214 HD11 LEU 32 1HD1 LEU 32 -2.746 -8.455 -10.882 215 HD12 LEU 32 2HD1 LEU 32 -3.974 -9.697 -11.128 216 HD13 LEU 32 3HD1 LEU 32 -4.126 -8.134 -11.931 217 HD21 LEU 32 1HD2 LEU 32 -2.139 -7.392 -13.249 218 HD22 LEU 32 2HD2 LEU 32 -3.288 -8.122 -14.372 219 HD23 LEU 32 3HD2 LEU 32 -1.582 -8.563 -14.444 220 H SER 33 H SER 33 0.449 -11.285 -9.691 221 HA SER 33 HA SER 33 1.181 -13.958 -10.208 222 HB2 SER 33 2HB SER 33 2.061 -12.064 -12.189 223 HB3 SER 33 1HB SER 33 3.453 -12.725 -11.336 224 HG SER 33 HG SER 33 1.498 -14.558 -11.971 225 HA PRO 34 HA PRO 34 3.678 -13.148 -6.681 226 HB2 PRO 34 2HB PRO 34 5.800 -14.845 -7.018 227 HB3 PRO 34 1HB PRO 34 4.174 -15.390 -6.565 228 HG2 PRO 34 2HG PRO 34 5.518 -15.444 -9.217 229 HG3 PRO 34 1HG PRO 34 4.443 -16.637 -8.469 230 HD2 PRO 34 2HD PRO 34 3.609 -14.870 -10.393 231 HD3 PRO 34 1HD PRO 34 2.529 -15.540 -9.149 232 H TYR 35 H TYR 35 4.800 -12.376 -9.768 233 HA TYR 35 HA TYR 35 7.449 -11.503 -9.148 234 HB2 TYR 35 2HB TYR 35 5.679 -11.510 -11.455 235 HB3 TYR 35 1HB TYR 35 6.582 -10.000 -11.326 236 HD1 TYR 35 1HD TYR 35 9.143 -10.264 -10.725 237 HD2 TYR 35 2HD TYR 35 6.714 -13.357 -12.456 238 HE1 TYR 35 1HE TYR 35 11.183 -11.407 -11.547 239 HE2 TYR 35 2HE TYR 35 8.755 -14.499 -13.279 240 HH TYR 35 HH TYR 35 11.002 -14.159 -13.712 241 H ILE 36 H ILE 36 4.832 -9.388 -10.283 242 HA ILE 36 HA ILE 36 5.408 -7.541 -8.054 243 HB ILE 36 HB ILE 36 5.292 -6.867 -10.999 244 HG12 ILE 36 2HG1 ILE 36 7.382 -6.189 -8.914 245 HG13 ILE 36 1HG1 ILE 36 7.460 -7.652 -9.898 246 HG21 ILE 36 1HG2 ILE 36 4.174 -5.022 -10.225 247 HG22 ILE 36 2HG2 ILE 36 5.802 -4.508 -9.781 248 HG23 ILE 36 3HG2 ILE 36 4.747 -5.240 -8.572 249 HD11 ILE 36 1HD1 ILE 36 7.016 -5.063 -11.315 250 HD12 ILE 36 2HD1 ILE 36 7.905 -6.493 -11.841 251 HD13 ILE 36 3HD1 ILE 36 8.630 -5.379 -10.681 252 H MET 37 H MET 37 3.652 -6.547 -7.198 253 HA MET 37 HA MET 37 1.035 -7.281 -8.340 254 HB2 MET 37 2HB MET 37 0.137 -6.796 -6.109 255 HB3 MET 37 1HB MET 37 1.453 -7.966 -6.007 256 HG2 MET 37 2HG MET 37 2.747 -5.509 -5.832 257 HG3 MET 37 1HG MET 37 1.278 -5.273 -4.886 258 HE1 MET 37 1HE MET 37 0.296 -7.204 -3.769 259 HE2 MET 37 2HE MET 37 1.011 -6.745 -2.226 260 HE3 MET 37 3HE MET 37 1.139 -8.410 -2.787 261 H VAL 38 H VAL 38 -0.710 -5.649 -8.099 262 HA VAL 38 HA VAL 38 0.293 -2.881 -8.392 263 HB VAL 38 HB VAL 38 -0.236 -3.746 -10.612 264 HG11 VAL 38 1HG1 VAL 38 -1.942 -5.177 -10.959 265 HG12 VAL 38 2HG1 VAL 38 -3.100 -4.035 -10.277 266 HG13 VAL 38 3HG1 VAL 38 -2.240 -5.156 -9.222 267 HG21 VAL 38 1HG2 VAL 38 -2.653 -2.103 -10.051 268 HG22 VAL 38 2HG2 VAL 38 -1.388 -1.866 -11.256 269 HG23 VAL 38 3HG2 VAL 38 -1.104 -1.403 -9.579 270 H LYS 39 H LYS 39 -0.960 -1.282 -7.490 271 HA LYS 39 HA LYS 39 -3.546 -2.008 -6.313 272 HB2 LYS 39 2HB LYS 39 -2.717 -0.757 -4.186 273 HB3 LYS 39 1HB LYS 39 -2.249 -2.441 -4.416 274 HG2 LYS 39 2HG LYS 39 -0.086 -1.779 -5.296 275 HG3 LYS 39 1HG LYS 39 -0.551 -0.078 -5.264 276 HD2 LYS 39 2HD LYS 39 -0.757 -0.161 -2.816 277 HD3 LYS 39 1HD LYS 39 -0.338 -1.874 -2.829 278 HE2 LYS 39 2HE LYS 39 1.573 -0.130 -4.253 279 HE3 LYS 39 1HE LYS 39 1.480 0.143 -2.512 280 HZ1 LYS 39 1HZ LYS 39 1.888 -2.498 -3.806 281 HZ2 LYS 39 2HZ LYS 39 1.865 -2.192 -2.135 282 HZ3 LYS 39 3HZ LYS 39 3.112 -1.561 -3.100 283 H ALA 40 H ALA 40 -4.902 -0.231 -5.906 284 HA ALA 40 HA ALA 40 -3.942 2.456 -6.488 285 HB1 ALA 40 1HB ALA 40 -5.651 2.826 -8.250 286 HB2 ALA 40 2HB ALA 40 -6.037 1.105 -8.207 287 HB3 ALA 40 3HB ALA 40 -4.439 1.638 -8.729 288 H GLY 41 H GLY 41 -5.161 4.017 -5.517 289 HA2 GLY 41 2HA GLY 41 -7.867 3.564 -4.651 290 HA3 GLY 41 1HA GLY 41 -6.713 3.509 -3.323 291 H TYR 42 H TYR 42 -8.240 5.401 -2.771 292 HA TYR 42 HA TYR 42 -7.156 7.903 -3.925 293 HB2 TYR 42 2HB TYR 42 -9.398 8.789 -2.819 294 HB3 TYR 42 1HB TYR 42 -9.393 8.089 -4.438 295 HD1 TYR 42 1HD TYR 42 -10.211 7.495 -0.885 296 HD2 TYR 42 2HD TYR 42 -10.327 5.890 -4.869 297 HE1 TYR 42 1HE TYR 42 -11.761 5.715 -0.124 298 HE2 TYR 42 2HE TYR 42 -11.878 4.110 -4.106 299 HH TYR 42 HH TYR 42 -13.631 4.215 -1.455 300 H GLY 43 H GLY 43 -6.612 9.577 -2.520 301 HA2 GLY 43 2HA GLY 43 -6.182 8.733 0.278 302 HA3 GLY 43 1HA GLY 43 -5.221 9.935 -0.579 303 H TRP 44 H TRP 44 -6.852 10.001 1.971 304 HA TRP 44 HA TRP 44 -8.699 12.205 1.285 305 HB2 TRP 44 2HB TRP 44 -9.179 9.968 2.793 306 HB3 TRP 44 1HB TRP 44 -8.758 11.152 4.030 307 HD1 TRP 44 HD TRP 44 -10.290 13.319 4.248 308 HE1 TRP 44 1HE TRP 44 -12.709 13.794 3.490 309 HE3 TRP 44 3HE TRP 44 -10.953 9.470 0.959 310 HZ2 TRP 44 2HZ TRP 44 -14.665 12.685 1.721 311 HZ3 TRP 44 3HZ TRP 44 -13.101 9.204 -0.249 312 HH2 TRP 44 HH TRP 44 -14.957 10.804 0.129 313 H ASN 45 H ASN 45 -8.110 14.209 1.786 314 HA ASN 45 HA ASN 45 -5.917 14.599 3.731 315 HB2 ASN 45 2HB ASN 45 -5.358 15.360 1.481 316 HB3 ASN 45 1HB ASN 45 -6.816 16.350 1.432 317 HD21 ASN 45 1HD2 ASN 45 -3.567 16.659 1.880 318 HD22 ASN 45 2HD2 ASN 45 -3.542 17.988 2.935 319 H ASN 46 H ASN 46 -8.824 16.261 2.484 320 HA ASN 46 HA ASN 46 -9.658 16.868 5.209 321 HB2 ASN 46 2HB ASN 46 -8.276 18.772 4.878 322 HB3 ASN 46 1HB ASN 46 -8.841 18.989 3.223 323 HD21 ASN 46 1HD2 ASN 46 -10.524 20.468 2.956 324 HD22 ASN 46 2HD2 ASN 46 -11.533 21.020 4.205 325 H SER 47 H SER 47 -10.513 18.589 2.249 326 HA SER 47 HA SER 47 -12.937 17.018 1.886 327 HB2 SER 47 2HB SER 47 -13.154 19.977 2.468 328 HB3 SER 47 1HB SER 47 -14.472 18.838 2.210 329 HG SER 47 HG SER 47 -14.368 18.697 4.318 330 H SER 48 H SER 48 -11.931 20.331 1.029 331 HA SER 48 HA SER 48 -12.687 19.981 -1.713 332 HB2 SER 48 2HB SER 48 -11.070 22.209 -1.658 333 HB3 SER 48 1HB SER 48 -12.807 22.206 -1.370 334 HG SER 48 HG SER 48 -10.871 21.741 0.651 335 H LEU 49 H LEU 49 -9.794 19.476 0.122 336 HA LEU 49 HA LEU 49 -8.195 19.208 -2.340 337 HB2 LEU 49 2HB LEU 49 -7.611 19.955 0.441 338 HB3 LEU 49 1HB LEU 49 -6.463 18.804 -0.238 339 HG LEU 49 HG LEU 49 -5.839 21.214 -0.615 340 HD11 LEU 49 1HD1 LEU 49 -6.164 20.531 -3.372 341 HD12 LEU 49 2HD1 LEU 49 -5.866 19.044 -2.476 342 HD13 LEU 49 3HD1 LEU 49 -4.719 20.379 -2.374 343 HD21 LEU 49 1HD2 LEU 49 -8.504 21.536 -1.188 344 HD22 LEU 49 2HD2 LEU 49 -7.801 21.478 -2.804 345 HD23 LEU 49 3HD2 LEU 49 -7.242 22.682 -1.643 346 H ASN 50 H ASN 50 -7.625 17.261 -3.080 347 HA ASN 50 HA ASN 50 -7.735 14.946 -1.261 348 HB2 ASN 50 2HB ASN 50 -9.443 15.456 -3.599 349 HB3 ASN 50 1HB ASN 50 -8.648 13.882 -3.618 350 HD21 ASN 50 1HD2 ASN 50 -9.387 12.289 -2.134 351 HD22 ASN 50 2HD2 ASN 50 -10.641 12.563 -1.023 352 H ARG 51 H ARG 51 -6.751 12.974 -2.369 353 HA ARG 51 HA ARG 51 -4.677 13.680 -4.325 354 HB2 ARG 51 2HB ARG 51 -4.226 12.753 -1.518 355 HB3 ARG 51 1HB ARG 51 -3.133 12.189 -2.782 356 HG2 ARG 51 2HG ARG 51 -2.665 14.508 -3.441 357 HG3 ARG 51 1HG ARG 51 -3.790 15.095 -2.216 358 HD2 ARG 51 2HD ARG 51 -1.519 15.235 -1.344 359 HD3 ARG 51 1HD ARG 51 -2.403 13.995 -0.463 360 HE ARG 51 HE ARG 51 -1.106 12.738 -2.604 361 HH11 ARG 51 1HH1 ARG 51 0.870 11.674 -2.255 362 HH12 ARG 51 2HH1 ARG 51 1.843 12.093 -0.884 363 HH21 ARG 51 1HH2 ARG 51 -0.363 14.505 0.277 364 HH22 ARG 51 2HH2 ARG 51 1.145 13.696 0.550 365 H PHE 52 H PHE 52 -3.601 11.741 -5.217 366 HA PHE 52 HA PHE 52 -5.194 9.275 -4.957 367 HB2 PHE 52 2HB PHE 52 -4.572 10.776 -7.499 368 HB3 PHE 52 1HB PHE 52 -4.962 9.055 -7.498 369 HD1 PHE 52 1HD PHE 52 -7.196 8.269 -7.035 370 HD2 PHE 52 2HD PHE 52 -6.233 12.443 -6.718 371 HE1 PHE 52 1HE PHE 52 -9.611 8.816 -6.897 372 HE2 PHE 52 2HE PHE 52 -8.649 12.990 -6.580 373 HZ PHE 52 HZ PHE 52 -10.337 11.176 -6.669 374 H GLU 53 H GLU 53 -4.073 7.358 -5.513 375 HA GLU 53 HA GLU 53 -1.178 7.640 -5.990 376 HB2 GLU 53 2HB GLU 53 -0.668 6.025 -4.257 377 HB3 GLU 53 1HB GLU 53 -1.598 7.344 -3.545 378 HG2 GLU 53 2HG GLU 53 -3.677 5.913 -3.981 379 HG3 GLU 53 1HG GLU 53 -2.566 4.581 -4.291 380 H PHE 54 H PHE 54 -0.402 6.242 -7.455 381 HA PHE 54 HA PHE 54 -1.865 3.759 -8.011 382 HB2 PHE 54 2HB PHE 54 -2.875 4.923 -9.720 383 HB3 PHE 54 1HB PHE 54 -1.535 6.056 -9.885 384 HD1 PHE 54 1HD PHE 54 0.308 5.613 -11.348 385 HD2 PHE 54 2HD PHE 54 -2.656 2.594 -10.615 386 HE1 PHE 54 1HE PHE 54 1.238 4.251 -13.200 387 HE2 PHE 54 2HE PHE 54 -1.726 1.230 -12.466 388 HZ PHE 54 HZ PHE 54 0.220 2.060 -13.760 389 H GLY 55 H GLY 55 -0.497 2.108 -8.248 390 HA2 GLY 55 2HA GLY 55 1.848 2.030 -9.722 391 HA3 GLY 55 1HA GLY 55 2.325 2.478 -8.086 392 H GLY 56 H GLY 56 3.430 0.535 -7.724 393 HA2 GLY 56 2HA GLY 56 1.711 -1.687 -6.938 394 HA3 GLY 56 1HA GLY 56 2.902 -2.038 -8.186 395 H GLY 57 H GLY 57 3.129 -3.484 -5.961 396 HA2 GLY 57 2HA GLY 57 5.441 -2.287 -4.547 397 HA3 GLY 57 1HA GLY 57 4.235 -3.258 -3.709 398 H LEU 58 H LEU 58 6.676 -4.159 -3.367 399 HA LEU 58 HA LEU 58 6.823 -6.531 -5.114 400 HB2 LEU 58 2HB LEU 58 9.174 -4.857 -4.195 401 HB3 LEU 58 1HB LEU 58 9.294 -6.399 -5.040 402 HG LEU 58 HG LEU 58 7.602 -5.045 -6.703 403 HD11 LEU 58 1HD1 LEU 58 8.081 -3.016 -5.138 404 HD12 LEU 58 2HD1 LEU 58 8.174 -2.775 -6.883 405 HD13 LEU 58 3HD1 LEU 58 9.652 -2.974 -5.941 406 HD21 LEU 58 1HD2 LEU 58 10.635 -5.072 -6.683 407 HD22 LEU 58 2HD2 LEU 58 9.659 -4.630 -8.084 408 HD23 LEU 58 3HD2 LEU 58 9.573 -6.266 -7.429 409 H GLN 59 H GLN 59 7.104 -8.403 -4.100 410 HA GLN 59 HA GLN 59 7.653 -8.367 -1.192 411 HB2 GLN 59 2HB GLN 59 5.728 -10.040 -2.812 412 HB3 GLN 59 1HB GLN 59 6.224 -10.483 -1.180 413 HG2 GLN 59 2HG GLN 59 5.277 -7.686 -1.638 414 HG3 GLN 59 1HG GLN 59 4.069 -8.971 -1.615 415 HE21 GLN 59 1HE2 GLN 59 6.253 -7.090 0.368 416 HE22 GLN 59 2HE2 GLN 59 5.824 -7.798 1.851 417 H TYR 60 H TYR 60 8.557 -10.486 -0.383 418 HA TYR 60 HA TYR 60 10.162 -11.866 -2.446 419 HB2 TYR 60 2HB TYR 60 11.095 -10.361 -0.073 420 HB3 TYR 60 1HB TYR 60 11.854 -11.932 -0.337 421 HD1 TYR 60 1HD TYR 60 11.004 -8.716 -2.041 422 HD2 TYR 60 2HD TYR 60 13.499 -12.213 -2.010 423 HE1 TYR 60 1HE TYR 60 12.393 -7.742 -3.849 424 HE2 TYR 60 2HE TYR 60 14.887 -11.239 -3.818 425 HH TYR 60 HH TYR 60 14.352 -9.395 -5.755 426 H LYS 61 H LYS 61 10.288 -14.031 -2.230 427 HA LYS 61 HA LYS 61 8.733 -15.245 -0.060 428 HB2 LYS 61 2HB LYS 61 9.397 -15.947 -2.833 429 HB3 LYS 61 1HB LYS 61 9.509 -17.302 -1.709 430 HG2 LYS 61 2HG LYS 61 7.236 -16.859 -0.907 431 HG3 LYS 61 1HG LYS 61 7.115 -15.456 -1.971 432 HD2 LYS 61 2HD LYS 61 6.882 -16.740 -3.868 433 HD3 LYS 61 1HD LYS 61 7.863 -18.057 -3.224 434 HE2 LYS 61 2HE LYS 61 5.111 -17.385 -2.161 435 HE3 LYS 61 1HE LYS 61 5.385 -18.569 -3.439 436 HZ1 LYS 61 1HZ LYS 61 6.541 -19.960 -2.021 437 HZ2 LYS 61 2HZ LYS 61 5.305 -19.368 -1.017 438 HZ3 LYS 61 3HZ LYS 61 6.875 -18.731 -0.901 439 H VAL 62 H VAL 62 9.910 -15.586 1.728 440 HA VAL 62 HA VAL 62 12.401 -17.134 1.448 441 HB VAL 62 HB VAL 62 12.032 -14.686 3.188 442 HG11 VAL 62 1HG1 VAL 62 14.558 -15.238 3.602 443 HG12 VAL 62 2HG1 VAL 62 14.102 -16.870 3.114 444 HG13 VAL 62 3HG1 VAL 62 13.331 -16.121 4.512 445 HG21 VAL 62 1HG2 VAL 62 13.800 -15.321 0.807 446 HG22 VAL 62 2HG2 VAL 62 14.028 -13.911 1.843 447 HG23 VAL 62 3HG2 VAL 62 12.546 -14.084 0.901 448 H THR 63 H THR 63 9.699 -16.077 3.445 449 HA THR 63 HA THR 63 9.815 -18.624 4.885 450 HB THR 63 HB THR 63 9.082 -16.804 6.856 451 HG1 THR 63 1HG THR 63 11.141 -15.477 6.642 452 HG21 THR 63 1HG2 THR 63 11.845 -17.925 6.300 453 HG22 THR 63 2HG2 THR 63 10.544 -18.812 7.092 454 HG23 THR 63 3HG2 THR 63 11.239 -17.389 7.866 455 HA PRO 64 HA PRO 64 5.428 -18.859 4.480 456 HB2 PRO 64 2HB PRO 64 5.155 -18.453 7.434 457 HB3 PRO 64 1HB PRO 64 4.416 -19.684 6.393 458 HG2 PRO 64 2HG PRO 64 6.499 -20.245 7.954 459 HG3 PRO 64 1HG PRO 64 6.303 -20.981 6.355 460 HD2 PRO 64 2HD PRO 64 8.230 -18.910 7.239 461 HD3 PRO 64 1HD PRO 64 8.357 -20.076 5.904 462 H ASP 65 H ASP 65 6.946 -16.140 5.881 463 HA ASP 65 HA ASP 65 5.401 -14.193 4.723 464 HB2 ASP 65 2HB ASP 65 4.145 -13.431 6.914 465 HB3 ASP 65 1HB ASP 65 3.407 -14.599 5.825 466 H LEU 66 H LEU 66 7.816 -13.805 4.817 467 HA LEU 66 HA LEU 66 8.319 -11.758 6.806 468 HB2 LEU 66 2HB LEU 66 9.220 -14.356 7.364 469 HB3 LEU 66 1HB LEU 66 10.640 -13.489 6.775 470 HG LEU 66 HG LEU 66 8.785 -12.540 8.979 471 HD11 LEU 66 1HD1 LEU 66 10.805 -14.449 9.093 472 HD12 LEU 66 2HD1 LEU 66 10.176 -13.531 10.461 473 HD13 LEU 66 3HD1 LEU 66 11.610 -12.965 9.604 474 HD21 LEU 66 1HD2 LEU 66 10.779 -11.208 7.317 475 HD22 LEU 66 2HD2 LEU 66 11.191 -11.117 9.030 476 HD23 LEU 66 3HD2 LEU 66 9.636 -10.509 8.464 477 H GLU 67 H GLU 67 8.766 -10.204 5.350 478 HA GLU 67 HA GLU 67 11.192 -10.383 3.823 479 HB2 GLU 67 2HB GLU 67 9.664 -9.789 1.685 480 HB3 GLU 67 1HB GLU 67 10.161 -11.437 2.074 481 HG2 GLU 67 2HG GLU 67 8.071 -12.006 2.935 482 HG3 GLU 67 1HG GLU 67 7.657 -10.333 3.311 483 HA PRO 68 HA PRO 68 10.762 -5.986 4.214 484 HB2 PRO 68 2HB PRO 68 12.216 -5.087 2.077 485 HB3 PRO 68 1HB PRO 68 12.961 -5.772 3.535 486 HG2 PRO 68 2HG PRO 68 12.478 -7.033 0.885 487 HG3 PRO 68 1HG PRO 68 13.860 -7.197 1.981 488 HD2 PRO 68 2HD PRO 68 11.878 -9.083 1.775 489 HD3 PRO 68 1HD PRO 68 12.834 -8.826 3.251 490 H TYR 69 H TYR 69 9.958 -4.018 2.999 491 HA TYR 69 HA TYR 69 8.031 -4.809 0.891 492 HB2 TYR 69 2HB TYR 69 7.312 -3.926 3.319 493 HB3 TYR 69 1HB TYR 69 7.533 -2.371 2.514 494 HD1 TYR 69 1HD TYR 69 6.507 -2.234 0.064 495 HD2 TYR 69 2HD TYR 69 5.241 -4.994 3.104 496 HE1 TYR 69 1HE TYR 69 4.334 -2.518 -1.097 497 HE2 TYR 69 2HE TYR 69 3.069 -5.277 1.942 498 HH TYR 69 HH TYR 69 2.186 -5.015 -0.390 499 H ALA 70 H ALA 70 8.140 -3.777 -0.998 500 HA ALA 70 HA ALA 70 9.723 -1.277 -1.141 501 HB1 ALA 70 1HB ALA 70 9.841 -2.612 -3.640 502 HB2 ALA 70 2HB ALA 70 10.249 -3.795 -2.398 503 HB3 ALA 70 3HB ALA 70 11.163 -2.292 -2.518 504 H TRP 71 H TRP 71 8.579 0.377 -1.884 505 HA TRP 71 HA TRP 71 6.263 -0.171 -3.648 506 HB2 TRP 71 2HB TRP 71 5.367 0.557 -1.569 507 HB3 TRP 71 1HB TRP 71 6.576 1.832 -1.412 508 HD1 TRP 71 HD TRP 71 4.139 0.893 -4.278 509 HE1 TRP 71 1HE TRP 71 2.909 3.038 -5.012 510 HE3 TRP 71 3HE TRP 71 6.160 4.238 -0.991 511 HZ2 TRP 71 2HZ TRP 71 2.798 5.805 -4.298 512 HZ3 TRP 71 3HZ TRP 71 5.476 6.619 -1.040 513 HH2 TRP 71 HH TRP 71 3.799 7.407 -2.688 514 H ALA 72 H ALA 72 5.853 1.305 -5.312 515 HA ALA 72 HA ALA 72 7.549 3.600 -5.736 516 HB1 ALA 72 1HB ALA 72 7.772 1.443 -7.822 517 HB2 ALA 72 2HB ALA 72 8.891 1.501 -6.459 518 HB3 ALA 72 3HB ALA 72 8.795 2.858 -7.581 519 H GLY 73 H GLY 73 6.486 5.068 -6.938 520 HA2 GLY 73 2HA GLY 73 4.896 4.623 -9.175 521 HA3 GLY 73 1HA GLY 73 3.815 4.580 -7.785 522 H ALA 74 H ALA 74 2.831 6.485 -8.782 523 HA ALA 74 HA ALA 74 4.270 8.954 -8.020 524 HB1 ALA 74 1HB ALA 74 2.642 9.780 -10.059 525 HB2 ALA 74 2HB ALA 74 3.144 8.189 -10.629 526 HB3 ALA 74 3HB ALA 74 4.356 9.407 -10.236 527 H THR 75 H THR 75 2.672 10.841 -7.897 528 HA THR 75 HA THR 75 0.031 9.964 -6.925 529 HB THR 75 HB THR 75 0.240 11.395 -4.953 530 HG1 THR 75 1HG THR 75 2.766 11.886 -4.790 531 HG21 THR 75 1HG2 THR 75 1.060 8.987 -4.958 532 HG22 THR 75 2HG2 THR 75 1.741 10.016 -3.697 533 HG23 THR 75 3HG2 THR 75 2.692 9.632 -5.133 534 H TYR 76 H TYR 76 -1.567 11.168 -7.714 535 HA TYR 76 HA TYR 76 -0.894 13.786 -8.917 536 HB2 TYR 76 2HB TYR 76 -3.332 12.162 -9.603 537 HB3 TYR 76 1HB TYR 76 -2.541 13.421 -10.551 538 HD1 TYR 76 1HD TYR 76 -0.979 12.836 -12.201 539 HD2 TYR 76 2HD TYR 76 -1.922 10.027 -9.089 540 HE1 TYR 76 1HE TYR 76 0.403 11.117 -13.333 541 HE2 TYR 76 2HE TYR 76 -0.541 8.308 -10.222 542 HH TYR 76 HH TYR 76 0.463 8.545 -13.380 543 H ASN 77 H ASN 77 -1.659 15.506 -7.883 544 HA ASN 77 HA ASN 77 -3.869 15.155 -5.973 545 HB2 ASN 77 2HB ASN 77 -1.587 16.254 -5.394 546 HB3 ASN 77 1HB ASN 77 -2.220 17.652 -6.263 547 HD21 ASN 77 1HD2 ASN 77 -1.784 16.914 -3.218 548 HD22 ASN 77 2HD2 ASN 77 -3.241 17.422 -2.511 549 H THR 78 H THR 78 -5.672 16.534 -5.985 550 HA THR 78 HA THR 78 -6.746 17.169 -8.499 551 HB THR 78 HB THR 78 -7.524 18.287 -5.795 552 HG1 THR 78 1HG THR 78 -8.751 16.161 -7.162 553 HG21 THR 78 1HG2 THR 78 -8.644 19.606 -7.383 554 HG22 THR 78 2HG2 THR 78 -9.804 18.322 -7.045 555 HG23 THR 78 3HG2 THR 78 -8.823 18.260 -8.508 556 H ASP 79 H ASP 79 -4.535 18.882 -6.522 557 HA ASP 79 HA ASP 79 -5.143 21.512 -7.548 558 HB2 ASP 79 2HB ASP 79 -3.623 20.457 -5.417 559 HB3 ASP 79 1HB ASP 79 -2.484 21.296 -6.467 560 H ASN 80 H ASN 80 -4.434 19.208 -9.385 561 HA ASN 80 HA ASN 80 -3.298 18.913 -11.359 562 HB2 ASN 80 2HB ASN 80 -4.128 21.305 -11.641 563 HB3 ASN 80 1HB ASN 80 -2.518 21.821 -11.142 564 HD21 ASN 80 1HD2 ASN 80 -3.421 22.441 -13.748 565 HD22 ASN 80 2HD2 ASN 80 -2.543 21.519 -14.872 566 H THR 81 H THR 81 -1.943 18.545 -8.779 567 HA THR 81 HA THR 81 0.851 19.164 -9.517 568 HB THR 81 HB THR 81 0.299 18.048 -6.844 569 HG1 THR 81 1HG THR 81 -0.447 20.712 -7.411 570 HG21 THR 81 1HG2 THR 81 1.968 19.608 -6.199 571 HG22 THR 81 2HG2 THR 81 1.694 20.609 -7.626 572 HG23 THR 81 3HG2 THR 81 2.473 19.035 -7.789 573 H LEU 82 H LEU 82 2.015 17.561 -10.346 574 HA LEU 82 HA LEU 82 1.440 14.791 -9.495 575 HB2 LEU 82 2HB LEU 82 2.065 14.156 -11.905 576 HB3 LEU 82 1HB LEU 82 0.467 14.856 -11.646 577 HG LEU 82 HG LEU 82 2.554 16.870 -12.107 578 HD11 LEU 82 1HD1 LEU 82 2.555 16.370 -14.606 579 HD12 LEU 82 2HD1 LEU 82 1.925 14.775 -14.199 580 HD13 LEU 82 3HD1 LEU 82 3.513 15.273 -13.612 581 HD21 LEU 82 1HD2 LEU 82 0.099 17.292 -12.069 582 HD22 LEU 82 2HD2 LEU 82 -0.082 16.253 -13.483 583 HD23 LEU 82 3HD2 LEU 82 0.826 17.760 -13.606 584 H VAL 83 H VAL 83 3.184 13.846 -8.677 585 HA VAL 83 HA VAL 83 5.814 14.393 -9.824 586 HB VAL 83 HB VAL 83 6.483 14.484 -7.191 587 HG11 VAL 83 1HG1 VAL 83 5.684 16.809 -8.971 588 HG12 VAL 83 2HG1 VAL 83 7.262 16.021 -8.942 589 HG13 VAL 83 3HG1 VAL 83 6.705 16.935 -7.540 590 HG21 VAL 83 1HG2 VAL 83 3.975 16.162 -7.400 591 HG22 VAL 83 2HG2 VAL 83 4.930 15.809 -5.959 592 HG23 VAL 83 3HG2 VAL 83 3.960 14.541 -6.708 593 HA PRO 84 HA PRO 84 6.348 10.093 -8.969 594 HB2 PRO 84 2HB PRO 84 9.044 9.922 -8.513 595 HB3 PRO 84 1HB PRO 84 8.336 10.158 -10.124 596 HG2 PRO 84 2HG PRO 84 9.576 12.145 -8.290 597 HG3 PRO 84 1HG PRO 84 9.680 12.013 -10.054 598 HD2 PRO 84 2HD PRO 84 8.048 13.814 -8.788 599 HD3 PRO 84 1HD PRO 84 7.694 13.139 -10.393 600 H ALA 85 H ALA 85 6.688 8.549 -7.295 601 HA ALA 85 HA ALA 85 7.549 9.527 -4.673 602 HB1 ALA 85 1HB ALA 85 4.850 8.216 -5.075 603 HB2 ALA 85 2HB ALA 85 5.090 9.943 -4.807 604 HB3 ALA 85 3HB ALA 85 5.531 8.786 -3.551 605 H ALA 86 H ALA 86 8.186 7.875 -3.251 606 HA ALA 86 HA ALA 86 7.830 5.104 -3.803 607 HB1 ALA 86 1HB ALA 86 10.255 6.464 -4.873 608 HB2 ALA 86 2HB ALA 86 9.377 5.070 -5.500 609 HB3 ALA 86 3HB ALA 86 10.468 4.879 -4.129 610 H GLY 87 H GLY 87 9.317 3.755 -2.383 611 HA2 GLY 87 2HA GLY 87 10.839 4.821 -0.293 612 HA3 GLY 87 1HA GLY 87 9.178 4.703 0.281 613 H ALA 88 H ALA 88 9.900 3.133 1.828 614 HA ALA 88 HA ALA 88 9.810 0.426 0.761 615 HB1 ALA 88 1HB ALA 88 12.034 0.113 0.842 616 HB2 ALA 88 2HB ALA 88 11.895 0.227 2.596 617 HB3 ALA 88 3HB ALA 88 12.288 1.661 1.648 618 H GLY 89 H GLY 89 9.929 -1.175 2.691 619 HA2 GLY 89 2HA GLY 89 9.227 -0.248 5.293 620 HA3 GLY 89 1HA GLY 89 7.790 -0.726 4.395 621 H PHE 90 H PHE 90 7.442 -2.425 5.909 622 HA PHE 90 HA PHE 90 9.060 -4.809 5.312 623 HB2 PHE 90 2HB PHE 90 9.124 -3.422 7.782 624 HB3 PHE 90 1HB PHE 90 8.209 -4.906 8.049 625 HD1 PHE 90 1HD PHE 90 9.216 -7.120 7.316 626 HD2 PHE 90 2HD PHE 90 11.479 -3.473 7.475 627 HE1 PHE 90 1HE PHE 90 11.324 -8.427 7.296 628 HE2 PHE 90 2HE PHE 90 13.587 -4.778 7.453 629 HZ PHE 90 HZ PHE 90 13.510 -7.256 7.364 630 H ARG 91 H ARG 91 7.953 -6.791 5.569 631 HA ARG 91 HA ARG 91 5.013 -6.546 5.811 632 HB2 ARG 91 2HB ARG 91 6.232 -7.094 3.483 633 HB3 ARG 91 1HB ARG 91 6.165 -8.726 4.151 634 HG2 ARG 91 2HG ARG 91 3.807 -6.845 3.822 635 HG3 ARG 91 1HG ARG 91 4.143 -8.266 2.833 636 HD2 ARG 91 2HD ARG 91 4.158 -9.539 5.115 637 HD3 ARG 91 1HD ARG 91 3.282 -8.131 5.712 638 HE ARG 91 HE ARG 91 1.432 -8.814 4.473 639 HH11 ARG 91 1HH1 ARG 91 0.321 -10.304 3.165 640 HH12 ARG 91 2HH1 ARG 91 1.200 -11.538 2.327 641 HH21 ARG 91 1HH2 ARG 91 4.289 -10.526 3.535 642 HH22 ARG 91 2HH2 ARG 91 3.448 -11.664 2.538 643 H TYR 92 H TYR 92 4.369 -7.528 7.612 644 HA TYR 92 HA TYR 92 5.500 -10.170 8.260 645 HB2 TYR 92 2HB TYR 92 6.569 -8.350 9.658 646 HB3 TYR 92 1HB TYR 92 4.976 -8.056 10.356 647 HD1 TYR 92 1HD TYR 92 4.163 -9.404 12.113 648 HD2 TYR 92 2HD TYR 92 7.515 -10.738 9.782 649 HE1 TYR 92 1HE TYR 92 4.497 -11.299 13.678 650 HE2 TYR 92 2HE TYR 92 7.850 -12.633 11.346 651 HH TYR 92 HH TYR 92 5.627 -13.731 13.404 652 H LYS 93 H LYS 93 3.926 -11.616 8.484 653 HA LYS 93 HA LYS 93 1.162 -10.797 8.586 654 HB2 LYS 93 2HB LYS 93 1.923 -12.770 7.281 655 HB3 LYS 93 1HB LYS 93 2.354 -13.572 8.792 656 HG2 LYS 93 2HG LYS 93 0.035 -13.467 9.553 657 HG3 LYS 93 1HG LYS 93 -0.423 -12.563 8.110 658 HD2 LYS 93 2HD LYS 93 0.957 -15.187 7.732 659 HD3 LYS 93 1HD LYS 93 -0.734 -15.207 8.236 660 HE2 LYS 93 2HE LYS 93 0.089 -13.424 5.969 661 HE3 LYS 93 1HE LYS 93 -0.127 -15.148 5.670 662 HZ1 LYS 93 1HZ LYS 93 -2.242 -14.027 7.236 663 HZ2 LYS 93 2HZ LYS 93 -2.321 -14.954 5.816 664 HZ3 LYS 93 3HZ LYS 93 -2.100 -13.272 5.725 665 H VAL 94 H VAL 94 0.055 -10.378 10.378 666 HA VAL 94 HA VAL 94 1.134 -11.234 12.968 667 HB VAL 94 HB VAL 94 0.576 -8.891 12.821 668 HG11 VAL 94 1HG1 VAL 94 -2.150 -9.876 11.929 669 HG12 VAL 94 2HG1 VAL 94 -0.989 -8.977 10.952 670 HG13 VAL 94 3HG1 VAL 94 -1.774 -8.199 12.327 671 HG21 VAL 94 1HG2 VAL 94 -1.813 -9.918 14.291 672 HG22 VAL 94 2HG2 VAL 94 -0.586 -8.764 14.811 673 HG23 VAL 94 3HG2 VAL 94 -0.231 -10.491 14.818 674 H SER 95 H SER 95 -1.579 -11.745 10.826 675 HA SER 95 HA SER 95 -2.456 -13.971 12.508 676 HB2 SER 95 2HB SER 95 -3.839 -11.470 12.412 677 HB3 SER 95 1HB SER 95 -4.825 -12.685 11.604 678 HG SER 95 HG SER 95 -5.262 -12.782 13.785 679 HA PRO 96 HA PRO 96 -3.179 -15.924 8.634 680 HB2 PRO 96 2HB PRO 96 -5.435 -17.408 9.098 681 HB3 PRO 96 1HB PRO 96 -3.838 -17.822 9.753 682 HG2 PRO 96 2HG PRO 96 -6.143 -16.494 11.082 683 HG3 PRO 96 1HG PRO 96 -4.998 -17.684 11.725 684 HD2 PRO 96 2HD PRO 96 -4.830 -15.001 12.266 685 HD3 PRO 96 1HD PRO 96 -3.419 -16.083 12.246 686 H GLU 97 H GLU 97 -5.942 -14.241 10.033 687 HA GLU 97 HA GLU 97 -7.144 -13.923 7.362 688 HB2 GLU 97 2HB GLU 97 -8.323 -13.135 10.034 689 HB3 GLU 97 1HB GLU 97 -9.164 -13.286 8.490 690 HG2 GLU 97 2HG GLU 97 -8.285 -15.752 8.548 691 HG3 GLU 97 1HG GLU 97 -8.094 -15.454 10.276 692 H VAL 98 H VAL 98 -5.141 -12.323 9.543 693 HA VAL 98 HA VAL 98 -5.640 -9.752 8.180 694 HB VAL 98 HB VAL 98 -4.784 -9.732 11.039 695 HG11 VAL 98 1HG1 VAL 98 -4.894 -7.669 9.661 696 HG12 VAL 98 2HG1 VAL 98 -6.038 -7.621 11.001 697 HG13 VAL 98 3HG1 VAL 98 -6.607 -7.972 9.370 698 HG21 VAL 98 1HG2 VAL 98 -7.228 -9.660 11.675 699 HG22 VAL 98 2HG2 VAL 98 -6.672 -11.245 11.140 700 HG23 VAL 98 3HG2 VAL 98 -7.609 -10.226 10.049 701 H LYS 99 H LYS 99 -3.839 -8.595 7.647 702 HA LYS 99 HA LYS 99 -1.221 -9.771 8.382 703 HB2 LYS 99 2HB LYS 99 -2.118 -8.591 5.747 704 HB3 LYS 99 1HB LYS 99 -0.440 -8.961 6.136 705 HG2 LYS 99 2HG LYS 99 -0.802 -11.258 6.146 706 HG3 LYS 99 1HG LYS 99 -2.516 -11.088 6.527 707 HD2 LYS 99 2HD LYS 99 -1.556 -9.970 3.928 708 HD3 LYS 99 1HD LYS 99 -1.699 -11.722 4.065 709 HE2 LYS 99 2HE LYS 99 -3.920 -9.794 4.792 710 HE3 LYS 99 1HE LYS 99 -3.788 -10.591 3.224 711 HZ1 LYS 99 1HZ LYS 99 -4.162 -12.659 4.145 712 HZ2 LYS 99 2HZ LYS 99 -5.207 -11.674 5.053 713 HZ3 LYS 99 3HZ LYS 99 -3.722 -12.173 5.709 714 H LEU 100 H LEU 100 0.386 -8.386 8.986 715 HA LEU 100 HA LEU 100 -0.414 -5.587 9.413 716 HB2 LEU 100 2HB LEU 100 0.454 -7.101 11.301 717 HB3 LEU 100 1HB LEU 100 2.038 -6.925 10.546 718 HG LEU 100 HG LEU 100 1.216 -4.330 10.591 719 HD11 LEU 100 1HD1 LEU 100 0.146 -5.619 13.120 720 HD12 LEU 100 2HD1 LEU 100 -0.850 -4.954 11.825 721 HD13 LEU 100 3HD1 LEU 100 0.190 -3.890 12.772 722 HD21 LEU 100 1HD2 LEU 100 3.383 -5.169 11.379 723 HD22 LEU 100 2HD2 LEU 100 2.614 -5.867 12.803 724 HD23 LEU 100 3HD2 LEU 100 2.670 -4.116 12.602 725 H VAL 101 H VAL 101 0.560 -3.935 8.390 726 HA VAL 101 HA VAL 101 3.083 -4.430 6.956 727 HB VAL 101 HB VAL 101 1.704 -2.761 5.242 728 HG11 VAL 101 1HG1 VAL 101 2.129 -5.760 5.243 729 HG12 VAL 101 2HG1 VAL 101 3.137 -4.530 4.477 730 HG13 VAL 101 3HG1 VAL 101 1.530 -4.876 3.839 731 HG21 VAL 101 1HG2 VAL 101 -0.458 -3.805 4.852 732 HG22 VAL 101 2HG2 VAL 101 -0.380 -3.296 6.538 733 HG23 VAL 101 3HG2 VAL 101 -0.153 -4.994 6.119 734 H VAL 102 H VAL 102 4.339 -2.562 6.583 735 HA VAL 102 HA VAL 102 3.399 -0.027 7.665 736 HB VAL 102 HB VAL 102 5.918 -0.098 8.724 737 HG11 VAL 102 1HG1 VAL 102 3.218 -0.785 9.897 738 HG12 VAL 102 2HG1 VAL 102 4.087 0.749 9.979 739 HG13 VAL 102 3HG1 VAL 102 4.658 -0.639 10.904 740 HG21 VAL 102 1HG2 VAL 102 6.237 -2.223 9.839 741 HG22 VAL 102 2HG2 VAL 102 6.024 -2.552 8.118 742 HG23 VAL 102 3HG2 VAL 102 4.690 -2.824 9.239 743 H GLU 103 H GLU 103 3.693 1.213 5.969 744 HA GLU 103 HA GLU 103 6.111 0.897 4.314 745 HB2 GLU 103 2HB GLU 103 3.331 1.792 3.779 746 HB3 GLU 103 1HB GLU 103 4.615 2.603 2.881 747 HG2 GLU 103 2HG GLU 103 5.329 0.619 1.857 748 HG3 GLU 103 1HG GLU 103 4.580 -0.397 3.086 749 H TYR 104 H TYR 104 7.310 2.731 3.678 750 HA TYR 104 HA TYR 104 6.954 5.114 5.396 751 HB2 TYR 104 2HB TYR 104 9.512 3.697 4.623 752 HB3 TYR 104 1HB TYR 104 9.463 5.301 5.356 753 HD1 TYR 104 1HD TYR 104 9.372 5.523 7.691 754 HD2 TYR 104 2HD TYR 104 8.238 1.800 5.874 755 HE1 TYR 104 1HE TYR 104 9.156 4.493 9.935 756 HE2 TYR 104 2HE TYR 104 8.022 0.770 8.120 757 HH TYR 104 HH TYR 104 8.256 2.690 11.051 758 H GLY 105 H GLY 105 6.388 6.768 4.144 759 HA2 GLY 105 2HA GLY 105 6.843 6.834 1.321 760 HA3 GLY 105 1HA GLY 105 6.176 8.138 2.298 761 H TRP 106 H TRP 106 8.538 7.604 0.228 762 HA TRP 106 HA TRP 106 10.349 9.522 1.540 763 HB2 TRP 106 2HB TRP 106 10.956 6.791 1.049 764 HB3 TRP 106 1HB TRP 106 11.884 7.752 -0.102 765 HD1 TRP 106 HD TRP 106 13.225 9.926 1.069 766 HE1 TRP 106 1HE TRP 106 14.528 9.955 3.294 767 HE3 TRP 106 3HE TRP 106 11.207 5.813 3.326 768 HZ2 TRP 106 2HZ TRP 106 14.692 8.435 5.712 769 HZ3 TRP 106 3HZ TRP 106 11.955 5.128 5.589 770 HH2 TRP 106 HH TRP 106 13.692 6.432 6.783 771 H ASN 107 H ASN 107 11.600 10.794 0.067 772 HA ASN 107 HA ASN 107 10.951 10.603 -2.775 773 HB2 ASN 107 2HB ASN 107 10.304 13.033 -1.094 774 HB3 ASN 107 1HB ASN 107 10.293 13.005 -2.857 775 HD21 ASN 107 1HD2 ASN 107 9.100 10.484 -3.338 776 HD22 ASN 107 2HD2 ASN 107 7.514 10.498 -2.733 777 H ASN 108 H ASN 108 12.315 11.974 -4.102 778 HA ASN 108 HA ASN 108 15.012 11.942 -3.349 779 HB2 ASN 108 2HB ASN 108 15.067 13.782 -5.294 780 HB3 ASN 108 1HB ASN 108 14.841 12.065 -5.625 781 HD21 ASN 108 1HD2 ASN 108 13.597 12.686 -7.591 782 HD22 ASN 108 2HD2 ASN 108 11.991 13.217 -7.438 783 H SER 109 H SER 109 15.269 12.937 -1.331 784 HA SER 109 HA SER 109 15.707 14.665 0.116 785 HB2 SER 109 2HB SER 109 15.846 16.479 -2.284 786 HB3 SER 109 1HB SER 109 16.759 16.572 -0.781 787 HG SER 109 HG SER 109 17.583 14.414 -1.468 788 H SER 110 H SER 110 13.319 14.317 0.599 789 HA SER 110 HA SER 110 12.042 16.902 0.701 790 HB2 SER 110 2HB SER 110 11.352 15.107 -1.419 791 HB3 SER 110 1HB SER 110 9.987 15.225 -0.311 792 HG SER 110 HG SER 110 10.577 17.615 -0.442 793 H LEU 111 H LEU 111 9.978 16.795 1.938 794 HA LEU 111 HA LEU 111 10.246 15.568 4.382 795 HB2 LEU 111 2HB LEU 111 7.473 15.860 3.326 796 HB3 LEU 111 1HB LEU 111 8.148 16.363 4.874 797 HG LEU 111 HG LEU 111 9.569 18.007 3.357 798 HD11 LEU 111 1HD1 LEU 111 7.071 18.072 1.727 799 HD12 LEU 111 2HD1 LEU 111 8.250 16.818 1.342 800 HD13 LEU 111 3HD1 LEU 111 8.716 18.516 1.277 801 HD21 LEU 111 1HD2 LEU 111 7.406 19.554 3.452 802 HD22 LEU 111 2HD2 LEU 111 8.229 19.056 4.930 803 HD23 LEU 111 3HD2 LEU 111 6.771 18.214 4.405 804 H GLN 112 H GLN 112 9.257 13.754 5.377 805 HA GLN 112 HA GLN 112 8.340 11.636 3.532 806 HB2 GLN 112 2HB GLN 112 9.600 10.170 5.415 807 HB3 GLN 112 1HB GLN 112 10.385 10.705 3.928 808 HG2 GLN 112 2HG GLN 112 11.414 12.558 5.017 809 HG3 GLN 112 1HG GLN 112 10.396 12.376 6.445 810 HE21 GLN 112 1HE2 GLN 112 12.110 11.979 7.960 811 HE22 GLN 112 2HE2 GLN 112 13.094 10.598 7.884 812 H PHE 113 H PHE 113 7.096 9.931 4.614 813 HA PHE 113 HA PHE 113 5.963 10.688 7.217 814 HB2 PHE 113 2HB PHE 113 3.700 9.911 5.946 815 HB3 PHE 113 1HB PHE 113 4.201 11.596 6.101 816 HD1 PHE 113 1HD PHE 113 5.565 12.650 4.237 817 HD2 PHE 113 2HD PHE 113 3.617 8.844 3.824 818 HE1 PHE 113 1HE PHE 113 5.755 12.822 1.772 819 HE2 PHE 113 2HE PHE 113 3.807 9.015 1.358 820 HZ PHE 113 HZ PHE 113 4.875 11.004 0.330 821 H LEU 114 H LEU 114 4.515 8.934 8.068 822 HA LEU 114 HA LEU 114 5.642 6.297 7.348 823 HB2 LEU 114 2HB LEU 114 5.370 7.614 9.835 824 HB3 LEU 114 1HB LEU 114 4.212 6.285 9.842 825 HG LEU 114 HG LEU 114 7.155 6.042 9.144 826 HD11 LEU 114 1HD1 LEU 114 5.586 5.700 11.657 827 HD12 LEU 114 2HD1 LEU 114 7.255 6.226 11.437 828 HD13 LEU 114 3HD1 LEU 114 6.847 4.513 11.326 829 HD21 LEU 114 1HD2 LEU 114 6.204 3.525 9.692 830 HD22 LEU 114 2HD2 LEU 114 6.382 4.188 8.069 831 HD23 LEU 114 3HD2 LEU 114 4.818 4.252 8.882 832 H GLN 115 H GLN 115 4.287 4.546 7.013 833 HA GLN 115 HA GLN 115 1.384 5.119 6.929 834 HB2 GLN 115 2HB GLN 115 3.171 3.939 4.830 835 HB3 GLN 115 1HB GLN 115 1.485 3.429 4.926 836 HG2 GLN 115 2HG GLN 115 2.079 6.358 5.021 837 HG3 GLN 115 1HG GLN 115 2.196 5.536 3.466 838 HE21 GLN 115 1HE2 GLN 115 0.247 5.096 2.377 839 HE22 GLN 115 2HE2 GLN 115 -1.292 5.317 3.058 840 H ALA 116 H ALA 116 0.233 3.754 8.112 841 HA ALA 116 HA ALA 116 1.238 1.008 8.524 842 HB1 ALA 116 1HB ALA 116 1.702 1.733 10.640 843 HB2 ALA 116 2HB ALA 116 -0.021 1.435 10.865 844 HB3 ALA 116 3HB ALA 116 0.557 3.070 10.547 845 H GLY 117 H GLY 117 -0.308 -0.583 8.500 846 HA2 GLY 117 2HA GLY 117 -3.081 -0.178 8.868 847 HA3 GLY 117 1HA GLY 117 -2.715 -0.126 7.147 848 H LEU 118 H LEU 118 -4.126 -2.036 7.084 849 HA LEU 118 HA LEU 118 -2.526 -4.464 7.241 850 HB2 LEU 118 2HB LEU 118 -4.341 -5.680 8.478 851 HB3 LEU 118 1HB LEU 118 -3.486 -4.484 9.453 852 HG LEU 118 HG LEU 118 -5.652 -3.158 8.140 853 HD11 LEU 118 1HD1 LEU 118 -6.619 -5.455 7.949 854 HD12 LEU 118 2HD1 LEU 118 -7.562 -4.401 9.002 855 HD13 LEU 118 3HD1 LEU 118 -6.494 -5.617 9.701 856 HD21 LEU 118 1HD2 LEU 118 -5.286 -3.992 11.037 857 HD22 LEU 118 2HD2 LEU 118 -6.320 -2.687 10.453 858 HD23 LEU 118 3HD2 LEU 118 -4.568 -2.558 10.302 859 H SER 119 H SER 119 -3.644 -6.312 6.213 860 HA SER 119 HA SER 119 -5.598 -5.406 4.178 861 HB2 SER 119 2HB SER 119 -3.315 -7.369 3.912 862 HB3 SER 119 1HB SER 119 -4.575 -7.157 2.700 863 HG SER 119 HG SER 119 -3.132 -4.952 3.704 864 H TYR 120 H TYR 120 -7.072 -7.043 3.399 865 HA TYR 120 HA TYR 120 -7.379 -9.409 5.112 866 HB2 TYR 120 2HB TYR 120 -8.779 -7.714 6.167 867 HB3 TYR 120 1HB TYR 120 -9.552 -7.360 4.622 868 HD1 TYR 120 1HD TYR 120 -11.166 -8.890 3.636 869 HD2 TYR 120 2HD TYR 120 -9.202 -9.836 7.336 870 HE1 TYR 120 1HE TYR 120 -12.794 -10.717 4.032 871 HE2 TYR 120 2HE TYR 120 -10.830 -11.664 7.733 872 HH TYR 120 HH TYR 120 -13.649 -12.087 5.699 873 H ARG 121 H ARG 121 -7.640 -11.129 3.851 874 HA ARG 121 HA ARG 121 -8.098 -10.918 1.043 875 HB2 ARG 121 2HB ARG 121 -7.665 -13.105 3.004 876 HB3 ARG 121 1HB ARG 121 -8.517 -13.538 1.520 877 HG2 ARG 121 2HG ARG 121 -6.709 -12.676 0.158 878 HG3 ARG 121 1HG ARG 121 -5.890 -12.029 1.579 879 HD2 ARG 121 2HD ARG 121 -5.792 -14.407 2.465 880 HD3 ARG 121 1HD ARG 121 -6.341 -14.938 0.878 881 HE ARG 121 HE ARG 121 -3.706 -13.924 1.550 882 HH11 ARG 121 1HH1 ARG 121 -2.193 -13.978 -0.143 883 HH12 ARG 121 2HH1 ARG 121 -2.727 -14.263 -1.766 884 HH21 ARG 121 1HH2 ARG 121 -6.074 -14.528 -0.900 885 HH22 ARG 121 2HH2 ARG 121 -4.925 -14.574 -2.195 886 H ILE 122 H ILE 122 -9.917 -11.304 -0.155 887 HA ILE 122 HA ILE 122 -12.452 -11.177 1.289 888 HB ILE 122 HB ILE 122 -11.751 -10.942 -1.644 889 HG12 ILE 122 2HG1 ILE 122 -12.922 -8.897 0.258 890 HG13 ILE 122 1HG1 ILE 122 -11.187 -9.066 -0.005 891 HG21 ILE 122 1HG2 ILE 122 -14.336 -11.315 -0.240 892 HG22 ILE 122 2HG2 ILE 122 -13.903 -11.664 -1.913 893 HG23 ILE 122 3HG2 ILE 122 -14.296 -10.015 -1.429 894 HD11 ILE 122 1HD1 ILE 122 -13.177 -8.628 -2.247 895 HD12 ILE 122 2HD1 ILE 122 -11.416 -8.558 -2.351 896 HD13 ILE 122 3HD1 ILE 122 -12.296 -7.318 -1.457 897 H GLN 123 H GLN 123 -11.266 -13.057 -1.510 898 HA GLN 123 HA GLN 123 -12.541 -15.447 -0.368 899 HB2 GLN 123 2HB GLN 123 -13.282 -14.047 -2.865 900 HB3 GLN 123 1HB GLN 123 -13.106 -15.796 -3.004 901 HG2 GLN 123 2HG GLN 123 -14.750 -16.200 -1.333 902 HG3 GLN 123 1HG GLN 123 -14.712 -14.526 -0.783 903 HE21 GLN 123 1HE2 GLN 123 -15.758 -16.609 -3.492 904 HE22 GLN 123 2HE2 GLN 123 -16.889 -15.504 -4.110 905 HA PRO 124 HA PRO 124 -8.832 -17.417 -1.730 906 HB2 PRO 124 2HB PRO 124 -9.711 -19.934 -2.370 907 HB3 PRO 124 1HB PRO 124 -9.525 -19.354 -0.703 908 HG2 PRO 124 2HG PRO 124 -11.982 -19.602 -2.360 909 HG3 PRO 124 1HG PRO 124 -11.745 -19.918 -0.633 910 HD2 PRO 124 2HD PRO 124 -12.917 -17.633 -1.581 911 HD3 PRO 124 1HD PRO 124 -12.018 -17.701 -0.050 Start of MODEL 10 1 H1 MET 1 1HT MET 1 -5.031 -21.987 -9.098 2 H2 MET 1 2HT MET 1 -4.893 -23.397 -10.037 3 H3 MET 1 3HT MET 1 -4.388 -23.399 -8.415 4 HA MET 1 HA MET 1 -7.136 -23.336 -9.490 5 HB2 MET 1 2HB MET 1 -5.406 -25.187 -7.975 6 HB3 MET 1 1HB MET 1 -7.046 -25.031 -7.342 7 HG2 MET 1 2HG MET 1 -7.975 -25.546 -9.551 8 HG3 MET 1 1HG MET 1 -6.351 -25.637 -10.231 9 HE1 MET 1 1HE MET 1 -6.225 -28.099 -11.092 10 HE2 MET 1 2HE MET 1 -7.952 -27.784 -10.949 11 HE3 MET 1 3HE MET 1 -7.293 -29.316 -10.378 12 H GLN 2 H GLN 2 -5.329 -23.092 -6.413 13 HA GLN 2 HA GLN 2 -7.552 -21.801 -5.094 14 HB2 GLN 2 2HB GLN 2 -4.722 -21.979 -4.065 15 HB3 GLN 2 1HB GLN 2 -6.217 -21.863 -3.136 16 HG2 GLN 2 2HG GLN 2 -6.701 -24.114 -4.593 17 HG3 GLN 2 1HG GLN 2 -4.955 -24.225 -4.388 18 HE21 GLN 2 1HE2 GLN 2 -4.215 -23.810 -1.992 19 HE22 GLN 2 2HE2 GLN 2 -5.194 -24.488 -0.783 20 H ASP 3 H ASP 3 -4.158 -20.744 -5.423 21 HA ASP 3 HA ASP 3 -5.072 -17.958 -5.417 22 HB2 ASP 3 2HB ASP 3 -2.323 -19.197 -5.173 23 HB3 ASP 3 1HB ASP 3 -2.626 -17.461 -5.191 24 H GLY 4 H GLY 4 -5.960 -17.987 -7.564 25 HA2 GLY 4 2HA GLY 4 -4.041 -18.319 -9.763 26 HA3 GLY 4 1HA GLY 4 -5.790 -18.196 -9.928 27 HA PRO 5 HA PRO 5 -3.672 -14.026 -10.632 28 HB2 PRO 5 2HB PRO 5 -4.060 -13.840 -13.330 29 HB3 PRO 5 1HB PRO 5 -2.613 -14.565 -12.604 30 HG2 PRO 5 2HG PRO 5 -5.003 -15.882 -13.783 31 HG3 PRO 5 1HG PRO 5 -3.297 -16.354 -13.862 32 HD2 PRO 5 2HD PRO 5 -5.124 -17.529 -12.167 33 HD3 PRO 5 1HD PRO 5 -3.377 -17.471 -11.848 34 H GLY 6 H GLY 6 -4.827 -12.113 -10.744 35 HA2 GLY 6 2HA GLY 6 -6.649 -10.734 -11.411 36 HA3 GLY 6 1HA GLY 6 -7.591 -12.184 -11.743 37 H THR 7 H THR 7 -5.853 -12.354 -8.831 38 HA THR 7 HA THR 7 -8.150 -12.606 -7.223 39 HB THR 7 HB THR 7 -5.282 -12.008 -6.466 40 HG1 THR 7 1HG THR 7 -6.585 -14.428 -6.024 41 HG21 THR 7 1HG2 THR 7 -6.570 -11.335 -4.594 42 HG22 THR 7 2HG2 THR 7 -6.096 -12.995 -4.234 43 HG23 THR 7 3HG2 THR 7 -7.725 -12.649 -4.815 44 H LEU 8 H LEU 8 -8.777 -11.227 -5.401 45 HA LEU 8 HA LEU 8 -8.182 -8.367 -5.791 46 HB2 LEU 8 2HB LEU 8 -10.959 -9.520 -5.431 47 HB3 LEU 8 1HB LEU 8 -10.551 -7.809 -5.551 48 HG LEU 8 HG LEU 8 -9.344 -8.750 -7.796 49 HD11 LEU 8 1HD1 LEU 8 -10.844 -10.358 -8.874 50 HD12 LEU 8 2HD1 LEU 8 -11.864 -10.400 -7.435 51 HD13 LEU 8 3HD1 LEU 8 -10.222 -11.039 -7.370 52 HD21 LEU 8 1HD2 LEU 8 -10.851 -6.840 -7.733 53 HD22 LEU 8 2HD2 LEU 8 -12.233 -7.895 -7.433 54 HD23 LEU 8 3HD2 LEU 8 -11.404 -7.949 -8.990 55 H ASP 9 H ASP 9 -7.710 -7.368 -3.938 56 HA ASP 9 HA ASP 9 -8.806 -8.410 -1.416 57 HB2 ASP 9 2HB ASP 9 -5.942 -7.599 -1.406 58 HB3 ASP 9 1HB ASP 9 -6.778 -8.796 -0.418 59 H VAL 10 H VAL 10 -8.967 -6.879 0.239 60 HA VAL 10 HA VAL 10 -8.691 -4.080 -0.663 61 HB VAL 10 HB VAL 10 -10.503 -5.397 1.363 62 HG11 VAL 10 1HG1 VAL 10 -10.025 -3.429 2.505 63 HG12 VAL 10 2HG1 VAL 10 -11.346 -2.889 1.467 64 HG13 VAL 10 3HG1 VAL 10 -9.676 -2.534 1.026 65 HG21 VAL 10 1HG2 VAL 10 -12.252 -4.700 -0.082 66 HG22 VAL 10 2HG2 VAL 10 -11.004 -5.306 -1.171 67 HG23 VAL 10 3HG2 VAL 10 -11.204 -3.570 -0.940 68 H PHE 11 H PHE 11 -7.694 -2.554 0.663 69 HA PHE 11 HA PHE 11 -6.628 -3.317 3.244 70 HB2 PHE 11 2HB PHE 11 -4.334 -3.272 2.730 71 HB3 PHE 11 1HB PHE 11 -5.038 -4.239 1.434 72 HD1 PHE 11 1HD PHE 11 -5.739 -2.981 -0.730 73 HD2 PHE 11 2HD PHE 11 -3.070 -1.359 2.219 74 HE1 PHE 11 1HE PHE 11 -4.865 -1.375 -2.404 75 HE2 PHE 11 2HE PHE 11 -2.196 0.248 0.545 76 HZ PHE 11 HZ PHE 11 -3.094 0.240 -1.767 77 H VAL 12 H VAL 12 -6.104 -1.578 4.495 78 HA VAL 12 HA VAL 12 -6.556 1.083 3.289 79 HB VAL 12 HB VAL 12 -6.909 0.116 6.136 80 HG11 VAL 12 1HG1 VAL 12 -7.897 2.481 6.377 81 HG12 VAL 12 2HG1 VAL 12 -7.038 2.862 4.885 82 HG13 VAL 12 3HG1 VAL 12 -6.139 2.356 6.316 83 HG21 VAL 12 1HG2 VAL 12 -9.107 -0.113 5.632 84 HG22 VAL 12 2HG2 VAL 12 -8.606 -0.061 3.942 85 HG23 VAL 12 3HG2 VAL 12 -9.140 1.414 4.749 86 H ALA 13 H ALA 13 -5.266 2.865 4.217 87 HA ALA 13 HA ALA 13 -2.841 2.183 5.627 88 HB1 ALA 13 1HB ALA 13 -2.886 2.431 2.730 89 HB2 ALA 13 2HB ALA 13 -1.577 1.908 3.789 90 HB3 ALA 13 3HB ALA 13 -1.820 3.625 3.469 91 H ALA 14 H ALA 14 -2.861 3.695 7.109 92 HA ALA 14 HA ALA 14 -3.766 6.414 6.443 93 HB1 ALA 14 1HB ALA 14 -4.836 5.305 8.378 94 HB2 ALA 14 2HB ALA 14 -3.946 6.750 8.860 95 HB3 ALA 14 3HB ALA 14 -3.257 5.153 9.148 96 H GLY 15 H GLY 15 -2.331 7.999 6.186 97 HA2 GLY 15 2HA GLY 15 0.466 7.505 6.969 98 HA3 GLY 15 1HA GLY 15 -0.070 8.663 5.756 99 H TRP 16 H TRP 16 1.710 9.397 7.747 100 HA TRP 16 HA TRP 16 0.245 11.560 9.003 101 HB2 TRP 16 2HB TRP 16 0.552 9.237 10.486 102 HB3 TRP 16 1HB TRP 16 1.899 10.244 11.017 103 HD1 TRP 16 HD TRP 16 -1.926 10.476 10.539 104 HE1 TRP 16 1HE TRP 16 -2.854 12.142 12.274 105 HE3 TRP 16 3HE TRP 16 2.439 12.056 12.666 106 HZ2 TRP 16 2HZ TRP 16 -1.874 13.910 14.299 107 HZ3 TRP 16 3HZ TRP 16 2.413 13.730 14.494 108 HH2 TRP 16 HH TRP 16 0.265 14.658 15.313 109 H ASN 17 H ASN 17 1.469 13.313 8.759 110 HA ASN 17 HA ASN 17 4.376 12.975 8.419 111 HB2 ASN 17 2HB ASN 17 3.161 14.084 6.578 112 HB3 ASN 17 1HB ASN 17 2.606 15.323 7.704 113 HD21 ASN 17 1HD2 ASN 17 5.805 14.104 8.291 114 HD22 ASN 17 2HD2 ASN 17 6.649 15.431 7.654 115 H THR 18 H THR 18 5.841 14.174 9.608 116 HA THR 18 HA THR 18 5.347 14.675 12.275 117 HB THR 18 HB THR 18 7.424 15.980 12.277 118 HG1 THR 18 1HG THR 18 7.304 17.196 10.479 119 HG21 THR 18 1HG2 THR 18 7.085 13.334 11.337 120 HG22 THR 18 2HG2 THR 18 8.523 14.029 12.087 121 HG23 THR 18 3HG2 THR 18 8.341 14.061 10.333 122 H ASP 19 H ASP 19 4.432 16.558 9.562 123 HA ASP 19 HA ASP 19 4.292 19.119 10.796 124 HB2 ASP 19 2HB ASP 19 4.136 18.400 8.267 125 HB3 ASP 19 1HB ASP 19 2.411 18.308 8.614 126 H ASN 20 H ASN 20 2.847 16.457 11.821 127 HA ASN 20 HA ASN 20 1.057 16.047 13.203 128 HB2 ASN 20 2HB ASN 20 0.330 18.958 13.144 129 HB3 ASN 20 1HB ASN 20 0.189 17.802 14.467 130 HD21 ASN 20 1HD2 ASN 20 2.673 16.733 14.771 131 HD22 ASN 20 2HD2 ASN 20 3.838 17.936 15.044 132 H THR 21 H THR 21 0.833 16.129 10.262 133 HA THR 21 HA THR 21 -2.023 16.820 9.953 134 HB THR 21 HB THR 21 -1.409 16.489 7.456 135 HG1 THR 21 1HG THR 21 0.575 15.912 7.192 136 HG21 THR 21 1HG2 THR 21 -0.207 18.835 7.564 137 HG22 THR 21 2HG2 THR 21 -0.634 18.742 9.273 138 HG23 THR 21 3HG2 THR 21 -1.896 18.683 8.044 139 H ILE 22 H ILE 22 -3.489 15.303 9.265 140 HA ILE 22 HA ILE 22 -2.574 12.507 9.395 141 HB ILE 22 HB ILE 22 -5.463 13.296 9.354 142 HG12 ILE 22 2HG1 ILE 22 -3.488 13.711 11.601 143 HG13 ILE 22 1HG1 ILE 22 -4.716 14.825 11.000 144 HG21 ILE 22 1HG2 ILE 22 -5.760 11.263 10.471 145 HG22 ILE 22 2HG2 ILE 22 -4.121 11.267 11.120 146 HG23 ILE 22 3HG2 ILE 22 -4.394 10.899 9.417 147 HD11 ILE 22 1HD1 ILE 22 -5.065 12.385 12.724 148 HD12 ILE 22 2HD1 ILE 22 -6.402 12.966 11.730 149 HD13 ILE 22 3HD1 ILE 22 -5.701 14.012 12.965 150 H GLU 23 H GLU 23 -3.076 11.023 7.789 151 HA GLU 23 HA GLU 23 -4.338 12.062 5.338 152 HB2 GLU 23 2HB GLU 23 -1.746 10.499 5.396 153 HB3 GLU 23 1HB GLU 23 -2.591 11.070 3.957 154 HG2 GLU 23 2HG GLU 23 -2.402 13.418 5.120 155 HG3 GLU 23 1HG GLU 23 -1.098 12.654 6.026 156 H ILE 24 H ILE 24 -5.925 10.754 4.726 157 HA ILE 24 HA ILE 24 -5.890 7.949 5.648 158 HB ILE 24 HB ILE 24 -8.187 9.676 4.690 159 HG12 ILE 24 2HG1 ILE 24 -8.218 8.562 7.407 160 HG13 ILE 24 1HG1 ILE 24 -6.890 9.690 7.135 161 HG21 ILE 24 1HG2 ILE 24 -8.869 7.518 4.136 162 HG22 ILE 24 2HG2 ILE 24 -9.424 7.632 5.805 163 HG23 ILE 24 3HG2 ILE 24 -7.927 6.778 5.430 164 HD11 ILE 24 1HD1 ILE 24 -8.415 11.415 6.401 165 HD12 ILE 24 2HD1 ILE 24 -9.013 10.786 7.937 166 HD13 ILE 24 3HD1 ILE 24 -9.772 10.290 6.424 167 H THR 25 H THR 25 -5.626 6.356 4.216 168 HA THR 25 HA THR 25 -6.252 6.857 1.381 169 HB THR 25 HB THR 25 -4.162 6.298 0.609 170 HG1 THR 25 1HG THR 25 -2.711 5.072 2.067 171 HG21 THR 25 1HG2 THR 25 -2.487 7.442 1.908 172 HG22 THR 25 2HG2 THR 25 -3.410 7.214 3.394 173 HG23 THR 25 3HG2 THR 25 -4.009 8.301 2.142 174 H GLY 26 H GLY 26 -7.301 5.214 0.432 175 HA2 GLY 26 2HA GLY 26 -7.054 2.495 1.481 176 HA3 GLY 26 1HA GLY 26 -8.654 3.228 1.552 177 H GLY 27 H GLY 27 -7.848 0.891 0.032 178 HA2 GLY 27 2HA GLY 27 -9.186 1.370 -2.385 179 HA3 GLY 27 1HA GLY 27 -7.456 1.455 -2.706 180 H ALA 28 H ALA 28 -7.448 -0.416 -3.977 181 HA ALA 28 HA ALA 28 -7.469 -2.905 -2.430 182 HB1 ALA 28 1HB ALA 28 -8.675 -3.993 -4.429 183 HB2 ALA 28 2HB ALA 28 -9.166 -2.354 -4.857 184 HB3 ALA 28 3HB ALA 28 -9.652 -3.044 -3.309 185 H THR 29 H THR 29 -6.523 -4.725 -3.733 186 HA THR 29 HA THR 29 -4.624 -3.775 -5.781 187 HB THR 29 HB THR 29 -3.396 -3.867 -3.666 188 HG1 THR 29 1HG THR 29 -1.919 -4.587 -4.953 189 HG21 THR 29 1HG2 THR 29 -4.080 -6.805 -3.536 190 HG22 THR 29 2HG2 THR 29 -5.017 -5.585 -2.673 191 HG23 THR 29 3HG2 THR 29 -3.309 -5.810 -2.300 192 H TYR 30 H TYR 30 -4.092 -5.272 -7.356 193 HA TYR 30 HA TYR 30 -5.693 -7.761 -7.335 194 HB2 TYR 30 2HB TYR 30 -4.627 -6.453 -9.823 195 HB3 TYR 30 1HB TYR 30 -5.975 -7.575 -9.654 196 HD1 TYR 30 1HD TYR 30 -7.851 -6.704 -7.908 197 HD2 TYR 30 2HD TYR 30 -5.177 -4.207 -10.161 198 HE1 TYR 30 1HE TYR 30 -9.419 -4.801 -7.661 199 HE2 TYR 30 2HE TYR 30 -6.746 -2.305 -9.913 200 HH TYR 30 HH TYR 30 -8.752 -1.828 -7.901 201 H GLN 31 H GLN 31 -4.657 -9.653 -7.472 202 HA GLN 31 HA GLN 31 -1.735 -9.600 -7.787 203 HB2 GLN 31 2HB GLN 31 -3.309 -10.854 -5.928 204 HB3 GLN 31 1HB GLN 31 -3.023 -12.151 -7.088 205 HG2 GLN 31 2HG GLN 31 -0.881 -10.446 -5.781 206 HG3 GLN 31 1HG GLN 31 -1.261 -12.117 -5.366 207 HE21 GLN 31 1HE2 GLN 31 1.335 -11.223 -6.373 208 HE22 GLN 31 2HE2 GLN 31 1.578 -11.994 -7.866 209 H LEU 32 H LEU 32 -1.174 -9.762 -9.880 210 HA LEU 32 HA LEU 32 -2.651 -11.612 -11.624 211 HB2 LEU 32 2HB LEU 32 -0.461 -9.717 -12.464 212 HB3 LEU 32 1HB LEU 32 -1.719 -10.445 -13.462 213 HG LEU 32 HG LEU 32 -2.104 -8.365 -11.291 214 HD11 LEU 32 1HD1 LEU 32 -1.283 -7.481 -13.434 215 HD12 LEU 32 2HD1 LEU 32 -2.963 -7.010 -13.180 216 HD13 LEU 32 3HD1 LEU 32 -2.574 -8.325 -14.288 217 HD21 LEU 32 1HD2 LEU 32 -4.524 -8.500 -12.273 218 HD22 LEU 32 2HD2 LEU 32 -4.020 -9.714 -11.098 219 HD23 LEU 32 3HD2 LEU 32 -4.034 -10.104 -12.818 220 H SER 33 H SER 33 0.672 -10.832 -10.611 221 HA SER 33 HA SER 33 1.391 -13.647 -10.956 222 HB2 SER 33 2HB SER 33 2.119 -11.634 -12.842 223 HB3 SER 33 1HB SER 33 3.572 -12.120 -11.975 224 HG SER 33 HG SER 33 3.319 -13.560 -13.625 225 HA PRO 34 HA PRO 34 3.807 -12.925 -7.351 226 HB2 PRO 34 2HB PRO 34 6.025 -14.476 -7.773 227 HB3 PRO 34 1HB PRO 34 4.427 -15.141 -7.380 228 HG2 PRO 34 2HG PRO 34 5.797 -14.935 -10.013 229 HG3 PRO 34 1HG PRO 34 4.790 -16.240 -9.360 230 HD2 PRO 34 2HD PRO 34 3.865 -14.402 -11.170 231 HD3 PRO 34 1HD PRO 34 2.819 -15.213 -9.984 232 H TYR 35 H TYR 35 5.106 -12.108 -10.429 233 HA TYR 35 HA TYR 35 7.628 -11.078 -9.717 234 HB2 TYR 35 2HB TYR 35 5.706 -10.379 -11.939 235 HB3 TYR 35 1HB TYR 35 7.293 -9.629 -11.785 236 HD1 TYR 35 1HD TYR 35 9.286 -11.362 -11.351 237 HD2 TYR 35 2HD TYR 35 5.542 -12.319 -13.232 238 HE1 TYR 35 1HE TYR 35 10.329 -13.336 -12.428 239 HE2 TYR 35 2HE TYR 35 6.588 -14.293 -14.308 240 HH TYR 35 HH TYR 35 10.056 -14.990 -13.891 241 H ILE 36 H ILE 36 4.814 -9.066 -10.580 242 HA ILE 36 HA ILE 36 5.411 -7.329 -8.275 243 HB ILE 36 HB ILE 36 4.907 -5.374 -9.878 244 HG12 ILE 36 2HG1 ILE 36 5.992 -7.205 -11.993 245 HG13 ILE 36 1HG1 ILE 36 4.258 -7.210 -11.675 246 HG21 ILE 36 1HG2 ILE 36 7.388 -7.005 -9.624 247 HG22 ILE 36 2HG2 ILE 36 7.094 -5.328 -9.166 248 HG23 ILE 36 3HG2 ILE 36 7.383 -5.743 -10.856 249 HD11 ILE 36 1HD1 ILE 36 5.895 -4.736 -12.300 250 HD12 ILE 36 2HD1 ILE 36 4.150 -4.794 -12.057 251 HD13 ILE 36 3HD1 ILE 36 4.872 -5.588 -13.456 252 H MET 37 H MET 37 3.648 -6.312 -7.375 253 HA MET 37 HA MET 37 1.022 -7.234 -8.353 254 HB2 MET 37 2HB MET 37 2.195 -6.783 -5.697 255 HB3 MET 37 1HB MET 37 0.565 -6.133 -5.884 256 HG2 MET 37 2HG MET 37 -0.329 -8.254 -6.473 257 HG3 MET 37 1HG MET 37 1.273 -8.937 -6.757 258 HE1 MET 37 1HE MET 37 -1.609 -8.791 -4.175 259 HE2 MET 37 2HE MET 37 -0.977 -7.159 -4.379 260 HE3 MET 37 3HE MET 37 -0.814 -7.972 -2.823 261 H VAL 38 H VAL 38 -0.759 -5.756 -8.368 262 HA VAL 38 HA VAL 38 0.083 -2.958 -8.821 263 HB VAL 38 HB VAL 38 -0.844 -3.700 -10.834 264 HG11 VAL 38 1HG1 VAL 38 -2.769 -5.230 -9.076 265 HG12 VAL 38 2HG1 VAL 38 -1.625 -5.870 -10.255 266 HG13 VAL 38 3HG1 VAL 38 -3.061 -5.003 -10.801 267 HG21 VAL 38 1HG2 VAL 38 -3.378 -2.795 -9.475 268 HG22 VAL 38 2HG2 VAL 38 -2.794 -2.405 -11.092 269 HG23 VAL 38 3HG2 VAL 38 -2.028 -1.679 -9.678 270 H LYS 39 H LYS 39 -0.981 -1.293 -7.816 271 HA LYS 39 HA LYS 39 -3.310 -1.865 -6.147 272 HB2 LYS 39 2HB LYS 39 -2.289 -0.942 -4.129 273 HB3 LYS 39 1HB LYS 39 -1.364 -2.335 -4.689 274 HG2 LYS 39 2HG LYS 39 0.442 -0.975 -4.583 275 HG3 LYS 39 1HG LYS 39 -0.190 -0.231 -6.051 276 HD2 LYS 39 2HD LYS 39 -1.481 1.371 -4.667 277 HD3 LYS 39 1HD LYS 39 -0.793 0.648 -3.212 278 HE2 LYS 39 2HE LYS 39 1.477 1.139 -4.611 279 HE3 LYS 39 1HE LYS 39 0.463 2.455 -5.201 280 HZ1 LYS 39 1HZ LYS 39 1.307 1.870 -2.435 281 HZ2 LYS 39 2HZ LYS 39 -0.079 2.806 -2.739 282 HZ3 LYS 39 3HZ LYS 39 1.439 3.321 -3.303 283 H ALA 40 H ALA 40 -4.610 -0.102 -5.838 284 HA ALA 40 HA ALA 40 -3.646 2.577 -6.421 285 HB1 ALA 40 1HB ALA 40 -4.723 2.951 -8.394 286 HB2 ALA 40 2HB ALA 40 -6.046 1.853 -8.003 287 HB3 ALA 40 3HB ALA 40 -4.509 1.212 -8.583 288 H GLY 41 H GLY 41 -4.810 4.107 -5.362 289 HA2 GLY 41 2HA GLY 41 -7.517 3.590 -4.454 290 HA3 GLY 41 1HA GLY 41 -6.313 3.664 -3.171 291 H TYR 42 H TYR 42 -7.836 5.503 -2.588 292 HA TYR 42 HA TYR 42 -7.002 7.993 -3.957 293 HB2 TYR 42 2HB TYR 42 -9.255 8.600 -2.445 294 HB3 TYR 42 1HB TYR 42 -9.208 8.355 -4.190 295 HD1 TYR 42 1HD TYR 42 -9.182 6.257 -1.073 296 HD2 TYR 42 2HD TYR 42 -10.709 6.790 -5.055 297 HE1 TYR 42 1HE TYR 42 -10.564 4.214 -0.818 298 HE2 TYR 42 2HE TYR 42 -12.091 4.748 -4.796 299 HH TYR 42 HH TYR 42 -13.090 3.486 -2.476 300 H GLY 43 H GLY 43 -6.930 9.912 -2.527 301 HA2 GLY 43 2HA GLY 43 -6.242 9.248 0.269 302 HA3 GLY 43 1HA GLY 43 -5.143 10.208 -0.716 303 H TRP 44 H TRP 44 -7.457 10.431 1.592 304 HA TRP 44 HA TRP 44 -8.528 13.004 0.634 305 HB2 TRP 44 2HB TRP 44 -9.719 10.842 1.981 306 HB3 TRP 44 1HB TRP 44 -9.598 12.137 3.171 307 HD1 TRP 44 HD TRP 44 -11.681 13.572 3.176 308 HE1 TRP 44 1HE TRP 44 -13.339 14.443 1.405 309 HE3 TRP 44 3HE TRP 44 -9.704 11.424 -1.014 310 HZ2 TRP 44 2HZ TRP 44 -13.769 14.254 -1.417 311 HZ3 TRP 44 3HZ TRP 44 -10.757 11.784 -3.227 312 HH2 TRP 44 HH TRP 44 -12.786 13.196 -3.434 313 H ASN 45 H ASN 45 -7.974 14.886 1.577 314 HA ASN 45 HA ASN 45 -6.642 14.866 4.189 315 HB2 ASN 45 2HB ASN 45 -5.420 16.379 1.887 316 HB3 ASN 45 1HB ASN 45 -4.713 16.019 3.462 317 HD21 ASN 45 1HD2 ASN 45 -5.735 14.470 0.396 318 HD22 ASN 45 2HD2 ASN 45 -4.708 13.128 0.555 319 H ASN 46 H ASN 46 -6.762 16.841 5.296 320 HA ASN 46 HA ASN 46 -7.893 18.725 5.985 321 HB2 ASN 46 2HB ASN 46 -7.171 19.356 3.128 322 HB3 ASN 46 1HB ASN 46 -7.977 20.532 4.164 323 HD21 ASN 46 1HD2 ASN 46 -6.502 21.908 5.150 324 HD22 ASN 46 2HD2 ASN 46 -4.936 21.474 5.636 325 H SER 47 H SER 47 -9.164 19.544 2.921 326 HA SER 47 HA SER 47 -11.586 18.063 2.980 327 HB2 SER 47 2HB SER 47 -13.120 19.565 3.912 328 HB3 SER 47 1HB SER 47 -11.749 19.674 5.013 329 HG SER 47 HG SER 47 -12.192 21.744 4.516 330 H SER 48 H SER 48 -9.825 18.585 0.963 331 HA SER 48 HA SER 48 -11.432 19.496 -1.119 332 HB2 SER 48 2HB SER 48 -11.368 21.733 -0.884 333 HB3 SER 48 1HB SER 48 -10.130 21.637 0.364 334 HG SER 48 HG SER 48 -9.449 21.109 -2.306 335 H LEU 49 H LEU 49 -8.164 19.239 0.165 336 HA LEU 49 HA LEU 49 -6.830 19.055 -2.341 337 HB2 LEU 49 2HB LEU 49 -6.076 19.153 0.349 338 HB3 LEU 49 1HB LEU 49 -5.540 17.567 -0.199 339 HG LEU 49 HG LEU 49 -3.761 19.180 -0.591 340 HD11 LEU 49 1HD1 LEU 49 -4.764 17.462 -2.476 341 HD12 LEU 49 2HD1 LEU 49 -3.250 18.349 -2.641 342 HD13 LEU 49 3HD1 LEU 49 -4.725 18.982 -3.371 343 HD21 LEU 49 1HD2 LEU 49 -5.946 20.907 -1.203 344 HD22 LEU 49 2HD2 LEU 49 -4.934 20.803 -2.644 345 HD23 LEU 49 3HD2 LEU 49 -4.232 21.318 -1.110 346 H ASN 50 H ASN 50 -7.059 17.485 -3.790 347 HA ASN 50 HA ASN 50 -7.964 14.832 -2.910 348 HB2 ASN 50 2HB ASN 50 -8.779 16.399 -5.003 349 HB3 ASN 50 1HB ASN 50 -7.631 15.319 -5.792 350 HD21 ASN 50 1HD2 ASN 50 -8.931 13.738 -6.770 351 HD22 ASN 50 2HD2 ASN 50 -10.138 12.858 -5.963 352 H ARG 51 H ARG 51 -6.813 12.968 -3.317 353 HA ARG 51 HA ARG 51 -4.220 13.182 -4.675 354 HB2 ARG 51 2HB ARG 51 -4.428 13.239 -1.877 355 HB3 ARG 51 1HB ARG 51 -3.942 11.591 -2.275 356 HG2 ARG 51 2HG ARG 51 -2.143 12.548 -3.746 357 HG3 ARG 51 1HG ARG 51 -2.569 14.150 -3.143 358 HD2 ARG 51 2HD ARG 51 -2.274 13.011 -0.785 359 HD3 ARG 51 1HD ARG 51 -1.303 11.851 -1.688 360 HE ARG 51 HE ARG 51 0.323 13.494 -1.964 361 HH11 ARG 51 1HH1 ARG 51 1.200 15.552 -1.564 362 HH12 ARG 51 2HH1 ARG 51 0.185 16.815 -0.951 363 HH21 ARG 51 1HH2 ARG 51 -2.665 14.842 -0.857 364 HH22 ARG 51 2HH2 ARG 51 -2.003 16.412 -0.550 365 H PHE 52 H PHE 52 -3.524 11.279 -5.602 366 HA PHE 52 HA PHE 52 -5.157 8.865 -5.169 367 HB2 PHE 52 2HB PHE 52 -5.582 10.443 -7.347 368 HB3 PHE 52 1HB PHE 52 -4.340 9.352 -7.962 369 HD1 PHE 52 1HD PHE 52 -7.816 9.702 -7.036 370 HD2 PHE 52 2HD PHE 52 -4.687 6.842 -7.727 371 HE1 PHE 52 1HE PHE 52 -9.510 7.907 -7.283 372 HE2 PHE 52 2HE PHE 52 -6.380 5.047 -7.974 373 HZ PHE 52 HZ PHE 52 -8.792 5.580 -7.751 374 H GLU 53 H GLU 53 -3.824 7.282 -4.597 375 HA GLU 53 HA GLU 53 -1.005 7.399 -5.381 376 HB2 GLU 53 2HB GLU 53 -2.524 5.691 -3.406 377 HB3 GLU 53 1HB GLU 53 -0.818 5.448 -3.781 378 HG2 GLU 53 2HG GLU 53 -1.430 8.248 -3.233 379 HG3 GLU 53 1HG GLU 53 -1.840 7.202 -1.873 380 H PHE 54 H PHE 54 -0.210 6.238 -7.006 381 HA PHE 54 HA PHE 54 -1.562 3.738 -7.783 382 HB2 PHE 54 2HB PHE 54 -2.165 4.494 -9.806 383 HB3 PHE 54 1HB PHE 54 -1.746 6.118 -9.258 384 HD1 PHE 54 1HD PHE 54 0.266 7.208 -9.982 385 HD2 PHE 54 2HD PHE 54 -0.461 3.094 -10.984 386 HE1 PHE 54 1HE PHE 54 2.165 7.260 -11.575 387 HE2 PHE 54 2HE PHE 54 1.439 3.147 -12.578 388 HZ PHE 54 HZ PHE 54 2.751 5.230 -12.873 389 H GLY 55 H GLY 55 -0.157 2.112 -8.012 390 HA2 GLY 55 2HA GLY 55 2.320 2.200 -9.293 391 HA3 GLY 55 1HA GLY 55 2.624 2.453 -7.576 392 H GLY 56 H GLY 56 3.783 0.436 -7.579 393 HA2 GLY 56 2HA GLY 56 1.984 -1.861 -7.200 394 HA3 GLY 56 1HA GLY 56 3.350 -2.036 -8.298 395 H GLY 57 H GLY 57 2.830 -3.487 -5.823 396 HA2 GLY 57 2HA GLY 57 4.986 -2.512 -4.062 397 HA3 GLY 57 1HA GLY 57 3.744 -3.677 -3.612 398 H LEU 58 H LEU 58 6.326 -4.289 -3.045 399 HA LEU 58 HA LEU 58 6.857 -6.504 -4.916 400 HB2 LEU 58 2HB LEU 58 8.420 -4.444 -5.185 401 HB3 LEU 58 1HB LEU 58 9.126 -4.986 -3.661 402 HG LEU 58 HG LEU 58 9.091 -7.341 -4.943 403 HD11 LEU 58 1HD1 LEU 58 8.051 -6.167 -6.956 404 HD12 LEU 58 2HD1 LEU 58 9.497 -7.119 -7.291 405 HD13 LEU 58 3HD1 LEU 58 9.605 -5.362 -7.175 406 HD21 LEU 58 1HD2 LEU 58 11.163 -5.158 -5.340 407 HD22 LEU 58 2HD2 LEU 58 11.449 -6.883 -5.572 408 HD23 LEU 58 3HD2 LEU 58 11.075 -6.260 -3.966 409 H GLN 59 H GLN 59 7.230 -8.406 -3.940 410 HA GLN 59 HA GLN 59 8.148 -8.500 -1.169 411 HB2 GLN 59 2HB GLN 59 6.167 -10.258 -0.869 412 HB3 GLN 59 1HB GLN 59 5.941 -8.543 -0.526 413 HG2 GLN 59 2HG GLN 59 4.136 -9.532 -1.973 414 HG3 GLN 59 1HG GLN 59 4.974 -8.168 -2.712 415 HE21 GLN 59 1HE2 GLN 59 5.465 -8.568 -4.865 416 HE22 GLN 59 2HE2 GLN 59 5.856 -10.089 -5.511 417 H TYR 60 H TYR 60 8.583 -10.766 -0.479 418 HA TYR 60 HA TYR 60 9.210 -12.520 -2.780 419 HB2 TYR 60 2HB TYR 60 10.958 -11.474 -0.638 420 HB3 TYR 60 1HB TYR 60 11.125 -13.195 -0.981 421 HD1 TYR 60 1HD TYR 60 11.520 -9.792 -2.306 422 HD2 TYR 60 2HD TYR 60 11.830 -13.981 -3.200 423 HE1 TYR 60 1HE TYR 60 12.818 -9.260 -4.351 424 HE2 TYR 60 2HE TYR 60 13.129 -13.450 -5.244 425 HH TYR 60 HH TYR 60 13.220 -11.196 -6.827 426 H LYS 61 H LYS 61 8.539 -14.574 -2.601 427 HA LYS 61 HA LYS 61 7.197 -15.363 -0.117 428 HB2 LYS 61 2HB LYS 61 6.177 -15.563 -2.488 429 HB3 LYS 61 1HB LYS 61 7.233 -16.966 -2.661 430 HG2 LYS 61 2HG LYS 61 6.254 -17.763 -0.417 431 HG3 LYS 61 1HG LYS 61 5.006 -16.540 -0.667 432 HD2 LYS 61 2HD LYS 61 4.675 -17.590 -2.989 433 HD3 LYS 61 1HD LYS 61 5.629 -18.944 -2.386 434 HE2 LYS 61 2HE LYS 61 3.048 -17.890 -1.197 435 HE3 LYS 61 1HE LYS 61 3.266 -19.425 -2.039 436 HZ1 LYS 61 1HZ LYS 61 4.735 -18.678 0.427 437 HZ2 LYS 61 2HZ LYS 61 4.690 -20.201 -0.326 438 HZ3 LYS 61 3HZ LYS 61 3.300 -19.580 0.429 439 H VAL 62 H VAL 62 8.872 -15.949 1.244 440 HA VAL 62 HA VAL 62 10.297 -18.417 0.477 441 HB VAL 62 HB VAL 62 12.203 -17.404 1.962 442 HG11 VAL 62 1HG1 VAL 62 11.597 -16.514 -0.874 443 HG12 VAL 62 2HG1 VAL 62 12.495 -17.952 -0.388 444 HG13 VAL 62 3HG1 VAL 62 13.172 -16.349 -0.098 445 HG21 VAL 62 1HG2 VAL 62 10.491 -15.353 2.264 446 HG22 VAL 62 2HG2 VAL 62 11.302 -14.810 0.795 447 HG23 VAL 62 3HG2 VAL 62 12.239 -15.117 2.258 448 H THR 63 H THR 63 8.208 -16.922 2.560 449 HA THR 63 HA THR 63 8.541 -19.022 4.557 450 HB THR 63 HB THR 63 8.088 -16.780 6.134 451 HG1 THR 63 1HG THR 63 8.693 -15.507 4.314 452 HG21 THR 63 1HG2 THR 63 10.362 -17.188 6.960 453 HG22 THR 63 2HG2 THR 63 10.747 -18.091 5.497 454 HG23 THR 63 3HG2 THR 63 9.562 -18.726 6.637 455 HA PRO 64 HA PRO 64 4.129 -19.142 4.779 456 HB2 PRO 64 2HB PRO 64 4.268 -18.042 7.564 457 HB3 PRO 64 1HB PRO 64 3.368 -19.443 6.949 458 HG2 PRO 64 2HG PRO 64 5.635 -19.733 8.319 459 HG3 PRO 64 1HG PRO 64 5.206 -20.812 6.981 460 HD2 PRO 64 2HD PRO 64 7.282 -18.701 7.090 461 HD3 PRO 64 1HD PRO 64 7.196 -20.145 6.061 462 H ASP 65 H ASP 65 5.897 -16.294 5.354 463 HA ASP 65 HA ASP 65 4.674 -14.456 3.915 464 HB2 ASP 65 2HB ASP 65 2.480 -14.632 4.714 465 HB3 ASP 65 1HB ASP 65 3.001 -14.842 6.388 466 H LEU 66 H LEU 66 6.986 -14.099 4.260 467 HA LEU 66 HA LEU 66 7.407 -11.936 6.150 468 HB2 LEU 66 2HB LEU 66 7.937 -14.298 7.230 469 HB3 LEU 66 1HB LEU 66 9.431 -14.130 6.309 470 HG LEU 66 HG LEU 66 9.390 -11.684 7.364 471 HD11 LEU 66 1HD1 LEU 66 8.486 -11.721 9.643 472 HD12 LEU 66 2HD1 LEU 66 7.916 -13.374 9.409 473 HD13 LEU 66 3HD1 LEU 66 7.201 -12.056 8.483 474 HD21 LEU 66 1HD2 LEU 66 10.308 -14.295 8.559 475 HD22 LEU 66 2HD2 LEU 66 10.612 -12.774 9.399 476 HD23 LEU 66 3HD2 LEU 66 11.270 -13.037 7.784 477 H GLU 67 H GLU 67 8.097 -10.481 4.690 478 HA GLU 67 HA GLU 67 10.650 -10.853 3.436 479 HB2 GLU 67 2HB GLU 67 9.448 -10.237 1.123 480 HB3 GLU 67 1HB GLU 67 9.728 -11.907 1.617 481 HG2 GLU 67 2HG GLU 67 7.357 -11.346 0.837 482 HG3 GLU 67 1HG GLU 67 7.487 -12.155 2.397 483 HA PRO 68 HA PRO 68 10.686 -6.458 3.836 484 HB2 PRO 68 2HB PRO 68 11.999 -5.724 1.486 485 HB3 PRO 68 1HB PRO 68 12.793 -6.232 2.986 486 HG2 PRO 68 2HG PRO 68 12.249 -7.778 0.514 487 HG3 PRO 68 1HG PRO 68 13.627 -7.862 1.625 488 HD2 PRO 68 2HD PRO 68 11.663 -9.737 1.621 489 HD3 PRO 68 1HD PRO 68 12.523 -9.272 3.104 490 H TYR 69 H TYR 69 9.914 -4.434 2.808 491 HA TYR 69 HA TYR 69 7.797 -4.958 0.805 492 HB2 TYR 69 2HB TYR 69 7.316 -4.197 3.332 493 HB3 TYR 69 1HB TYR 69 7.585 -2.610 2.612 494 HD1 TYR 69 1HD TYR 69 5.906 -1.575 1.321 495 HD2 TYR 69 2HD TYR 69 5.657 -5.780 2.158 496 HE1 TYR 69 1HE TYR 69 3.635 -1.637 0.328 497 HE2 TYR 69 2HE TYR 69 3.386 -5.844 1.165 498 HH TYR 69 HH TYR 69 2.157 -3.432 -0.763 499 H ALA 70 H ALA 70 7.830 -3.793 -1.012 500 HA ALA 70 HA ALA 70 9.333 -1.269 -1.091 501 HB1 ALA 70 1HB ALA 70 10.349 -3.687 -2.135 502 HB2 ALA 70 2HB ALA 70 10.976 -2.058 -2.394 503 HB3 ALA 70 3HB ALA 70 9.805 -2.742 -3.520 504 H TRP 71 H TRP 71 8.101 0.241 -2.001 505 HA TRP 71 HA TRP 71 6.278 -0.523 -4.183 506 HB2 TRP 71 2HB TRP 71 4.570 -0.391 -2.701 507 HB3 TRP 71 1HB TRP 71 5.532 0.502 -1.523 508 HD1 TRP 71 HD TRP 71 3.804 1.129 -4.928 509 HE1 TRP 71 1HE TRP 71 2.964 3.566 -4.961 510 HE3 TRP 71 3HE TRP 71 5.586 2.739 -0.421 511 HZ2 TRP 71 2HZ TRP 71 3.037 5.891 -3.297 512 HZ3 TRP 71 3HZ TRP 71 5.188 5.066 0.330 513 HH2 TRP 71 HH TRP 71 3.917 6.643 -1.099 514 H ALA 72 H ALA 72 6.044 0.994 -5.760 515 HA ALA 72 HA ALA 72 7.207 3.663 -5.327 516 HB1 ALA 72 1HB ALA 72 8.533 3.561 -7.305 517 HB2 ALA 72 2HB ALA 72 7.805 2.031 -7.798 518 HB3 ALA 72 3HB ALA 72 8.886 2.085 -6.407 519 H GLY 73 H GLY 73 6.109 5.280 -6.319 520 HA2 GLY 73 2HA GLY 73 4.513 4.996 -8.641 521 HA3 GLY 73 1HA GLY 73 3.488 4.908 -7.211 522 H ALA 74 H ALA 74 2.518 6.888 -8.070 523 HA ALA 74 HA ALA 74 3.931 9.249 -7.049 524 HB1 ALA 74 1HB ALA 74 4.276 8.976 -9.581 525 HB2 ALA 74 2HB ALA 74 3.659 10.528 -9.015 526 HB3 ALA 74 3HB ALA 74 2.560 9.349 -9.731 527 H THR 75 H THR 75 2.481 11.109 -6.774 528 HA THR 75 HA THR 75 -0.243 10.206 -6.099 529 HB THR 75 HB THR 75 -0.033 12.629 -4.914 530 HG1 THR 75 1HG THR 75 2.549 11.494 -4.735 531 HG21 THR 75 1HG2 THR 75 -0.690 10.644 -3.730 532 HG22 THR 75 2HG2 THR 75 0.693 11.320 -2.871 533 HG23 THR 75 3HG2 THR 75 0.908 9.927 -3.931 534 H TYR 76 H TYR 76 -1.757 10.714 -7.538 535 HA TYR 76 HA TYR 76 -1.388 13.091 -9.236 536 HB2 TYR 76 2HB TYR 76 -1.809 11.184 -10.571 537 HB3 TYR 76 1HB TYR 76 -3.081 10.609 -9.494 538 HD1 TYR 76 1HD TYR 76 -2.196 13.097 -12.075 539 HD2 TYR 76 2HD TYR 76 -5.315 11.558 -9.555 540 HE1 TYR 76 1HE TYR 76 -3.881 14.348 -13.396 541 HE2 TYR 76 2HE TYR 76 -7.000 12.809 -10.876 542 HH TYR 76 HH TYR 76 -6.639 15.197 -12.523 543 H ASN 77 H ASN 77 -2.367 14.891 -8.587 544 HA ASN 77 HA ASN 77 -4.773 14.689 -6.904 545 HB2 ASN 77 2HB ASN 77 -3.017 17.089 -7.467 546 HB3 ASN 77 1HB ASN 77 -4.327 17.005 -6.292 547 HD21 ASN 77 1HD2 ASN 77 -1.334 15.140 -7.095 548 HD22 ASN 77 2HD2 ASN 77 -0.888 14.895 -5.476 549 H THR 78 H THR 78 -6.647 15.874 -7.388 550 HA THR 78 HA THR 78 -7.558 15.861 -9.987 551 HB THR 78 HB THR 78 -9.220 17.632 -9.155 552 HG1 THR 78 1HG THR 78 -7.347 17.634 -7.196 553 HG21 THR 78 1HG2 THR 78 -9.828 15.823 -7.192 554 HG22 THR 78 2HG2 THR 78 -8.752 14.878 -8.220 555 HG23 THR 78 3HG2 THR 78 -10.206 15.604 -8.900 556 H ASP 79 H ASP 79 -5.487 18.166 -8.453 557 HA ASP 79 HA ASP 79 -5.939 20.286 -10.362 558 HB2 ASP 79 2HB ASP 79 -3.836 19.844 -8.237 559 HB3 ASP 79 1HB ASP 79 -3.886 21.272 -9.271 560 H ASN 80 H ASN 80 -5.199 17.625 -11.396 561 HA ASN 80 HA ASN 80 -3.728 16.632 -12.873 562 HB2 ASN 80 2HB ASN 80 -4.730 18.721 -14.062 563 HB3 ASN 80 1HB ASN 80 -3.118 19.402 -13.858 564 HD21 ASN 80 1HD2 ASN 80 -4.198 18.789 -16.457 565 HD22 ASN 80 2HD2 ASN 80 -3.277 17.525 -17.118 566 H THR 81 H THR 81 -2.600 17.420 -10.300 567 HA THR 81 HA THR 81 0.151 18.177 -11.031 568 HB THR 81 HB THR 81 -0.925 17.839 -8.234 569 HG1 THR 81 1HG THR 81 -0.769 20.384 -9.060 570 HG21 THR 81 1HG2 THR 81 1.528 17.994 -8.565 571 HG22 THR 81 2HG2 THR 81 0.891 19.394 -7.700 572 HG23 THR 81 3HG2 THR 81 1.302 19.525 -9.411 573 H LEU 82 H LEU 82 1.838 16.807 -10.814 574 HA LEU 82 HA LEU 82 1.288 14.104 -9.734 575 HB2 LEU 82 2HB LEU 82 3.260 14.653 -11.942 576 HB3 LEU 82 1HB LEU 82 2.532 13.117 -11.472 577 HG LEU 82 HG LEU 82 0.295 14.534 -12.048 578 HD11 LEU 82 1HD1 LEU 82 0.602 16.017 -13.857 579 HD12 LEU 82 2HD1 LEU 82 2.230 15.422 -14.183 580 HD13 LEU 82 3HD1 LEU 82 1.926 16.426 -12.766 581 HD21 LEU 82 1HD2 LEU 82 0.489 13.445 -14.355 582 HD22 LEU 82 2HD2 LEU 82 0.688 12.364 -12.976 583 HD23 LEU 82 3HD2 LEU 82 2.103 12.926 -13.868 584 H VAL 83 H VAL 83 2.711 13.326 -8.278 585 HA VAL 83 HA VAL 83 5.298 14.701 -7.948 586 HB VAL 83 HB VAL 83 3.325 14.105 -5.734 587 HG11 VAL 83 1HG1 VAL 83 5.240 13.859 -4.530 588 HG12 VAL 83 2HG1 VAL 83 5.343 15.615 -4.659 589 HG13 VAL 83 3HG1 VAL 83 6.235 14.594 -5.787 590 HG21 VAL 83 1HG2 VAL 83 2.809 16.129 -7.061 591 HG22 VAL 83 2HG2 VAL 83 4.455 16.712 -6.809 592 HG23 VAL 83 3HG2 VAL 83 3.355 16.557 -5.439 593 HA PRO 84 HA PRO 84 5.809 10.078 -8.186 594 HB2 PRO 84 2HB PRO 84 8.575 11.050 -8.735 595 HB3 PRO 84 1HB PRO 84 7.624 9.811 -9.577 596 HG2 PRO 84 2HG PRO 84 8.023 12.229 -10.630 597 HG3 PRO 84 1HG PRO 84 6.503 11.346 -10.857 598 HD2 PRO 84 2HD PRO 84 7.068 13.701 -9.112 599 HD3 PRO 84 1HD PRO 84 5.562 13.240 -9.936 600 H ALA 85 H ALA 85 6.562 8.746 -6.576 601 HA ALA 85 HA ALA 85 8.577 9.665 -4.694 602 HB1 ALA 85 1HB ALA 85 6.108 10.428 -4.032 603 HB2 ALA 85 2HB ALA 85 7.270 9.890 -2.820 604 HB3 ALA 85 3HB ALA 85 6.037 8.777 -3.414 605 H ALA 86 H ALA 86 9.102 7.958 -3.088 606 HA ALA 86 HA ALA 86 8.310 5.254 -3.944 607 HB1 ALA 86 1HB ALA 86 10.866 6.460 -4.406 608 HB2 ALA 86 2HB ALA 86 10.329 4.828 -4.809 609 HB3 ALA 86 3HB ALA 86 11.054 5.155 -3.235 610 H GLY 87 H GLY 87 8.278 3.729 -2.317 611 HA2 GLY 87 2HA GLY 87 9.133 4.577 0.374 612 HA3 GLY 87 1HA GLY 87 7.485 4.006 0.127 613 H ALA 88 H ALA 88 9.079 2.706 1.927 614 HA ALA 88 HA ALA 88 9.051 0.030 0.908 615 HB1 ALA 88 1HB ALA 88 11.186 0.720 -0.061 616 HB2 ALA 88 2HB ALA 88 11.458 -0.441 1.238 617 HB3 ALA 88 3HB ALA 88 11.741 1.278 1.518 618 H GLY 89 H GLY 89 9.240 -1.525 2.554 619 HA2 GLY 89 2HA GLY 89 9.983 -0.797 5.241 620 HA3 GLY 89 1HA GLY 89 8.242 -0.965 5.037 621 H PHE 90 H PHE 90 7.718 -2.844 5.978 622 HA PHE 90 HA PHE 90 8.903 -5.297 4.906 623 HB2 PHE 90 2HB PHE 90 8.992 -4.463 7.798 624 HB3 PHE 90 1HB PHE 90 8.996 -6.165 7.339 625 HD1 PHE 90 1HD PHE 90 10.804 -2.941 6.944 626 HD2 PHE 90 2HD PHE 90 10.937 -7.200 6.409 627 HE1 PHE 90 1HE PHE 90 13.229 -2.801 6.442 628 HE2 PHE 90 2HE PHE 90 13.362 -7.061 5.906 629 HZ PHE 90 HZ PHE 90 14.509 -4.861 5.923 630 H ARG 91 H ARG 91 7.648 -7.223 5.513 631 HA ARG 91 HA ARG 91 4.883 -6.638 6.351 632 HB2 ARG 91 2HB ARG 91 4.571 -6.696 4.030 633 HB3 ARG 91 1HB ARG 91 5.786 -7.955 3.803 634 HG2 ARG 91 2HG ARG 91 4.365 -9.647 4.616 635 HG3 ARG 91 1HG ARG 91 3.303 -8.493 5.423 636 HD2 ARG 91 2HD ARG 91 3.609 -8.310 2.453 637 HD3 ARG 91 1HD ARG 91 2.604 -9.597 3.113 638 HE ARG 91 HE ARG 91 1.720 -7.352 4.404 639 HH11 ARG 91 1HH1 ARG 91 0.046 -6.044 3.597 640 HH12 ARG 91 2HH1 ARG 91 -0.278 -6.014 1.896 641 HH21 ARG 91 1HH2 ARG 91 2.236 -8.266 1.105 642 HH22 ARG 91 2HH2 ARG 91 0.960 -7.271 0.486 643 H TYR 92 H TYR 92 4.202 -8.015 7.869 644 HA TYR 92 HA TYR 92 5.265 -10.751 7.922 645 HB2 TYR 92 2HB TYR 92 5.764 -10.613 10.313 646 HB3 TYR 92 1HB TYR 92 6.710 -9.418 9.424 647 HD1 TYR 92 1HD TYR 92 3.840 -9.930 11.689 648 HD2 TYR 92 2HD TYR 92 6.256 -7.039 9.626 649 HE1 TYR 92 1HE TYR 92 2.849 -8.119 13.065 650 HE2 TYR 92 2HE TYR 92 5.267 -5.228 11.002 651 HH TYR 92 HH TYR 92 4.008 -4.778 12.814 652 H LYS 93 H LYS 93 3.951 -12.240 9.061 653 HA LYS 93 HA LYS 93 1.147 -11.613 8.977 654 HB2 LYS 93 2HB LYS 93 1.031 -13.987 10.037 655 HB3 LYS 93 1HB LYS 93 1.608 -13.827 8.379 656 HG2 LYS 93 2HG LYS 93 3.883 -14.054 9.035 657 HG3 LYS 93 1HG LYS 93 3.498 -13.795 10.736 658 HD2 LYS 93 2HD LYS 93 2.176 -15.915 10.719 659 HD3 LYS 93 1HD LYS 93 2.702 -16.192 9.059 660 HE2 LYS 93 2HE LYS 93 4.362 -16.169 11.575 661 HE3 LYS 93 1HE LYS 93 4.256 -17.421 10.338 662 HZ1 LYS 93 1HZ LYS 93 5.224 -15.718 8.780 663 HZ2 LYS 93 2HZ LYS 93 6.277 -16.315 9.972 664 HZ3 LYS 93 3HZ LYS 93 5.576 -14.777 10.148 665 H VAL 94 H VAL 94 -0.216 -11.137 10.614 666 HA VAL 94 HA VAL 94 0.852 -11.188 13.372 667 HB VAL 94 HB VAL 94 0.760 -8.873 12.268 668 HG11 VAL 94 1HG1 VAL 94 -1.345 -7.846 11.952 669 HG12 VAL 94 2HG1 VAL 94 -2.189 -9.094 12.870 670 HG13 VAL 94 3HG1 VAL 94 -1.556 -9.457 11.263 671 HG21 VAL 94 1HG2 VAL 94 -0.585 -9.632 14.857 672 HG22 VAL 94 2HG2 VAL 94 -0.459 -7.942 14.374 673 HG23 VAL 94 3HG2 VAL 94 1.002 -8.902 14.612 674 H SER 95 H SER 95 -1.821 -11.639 11.191 675 HA SER 95 HA SER 95 -3.338 -12.877 13.387 676 HB2 SER 95 2HB SER 95 -4.058 -10.465 12.067 677 HB3 SER 95 1HB SER 95 -5.184 -11.715 11.546 678 HG SER 95 HG SER 95 -4.524 -11.666 14.242 679 HA PRO 96 HA PRO 96 -4.237 -16.418 10.966 680 HB2 PRO 96 2HB PRO 96 -7.068 -15.494 10.700 681 HB3 PRO 96 1HB PRO 96 -6.438 -17.071 11.209 682 HG2 PRO 96 2HG PRO 96 -7.393 -15.237 12.941 683 HG3 PRO 96 1HG PRO 96 -6.133 -16.406 13.358 684 HD2 PRO 96 2HD PRO 96 -5.906 -13.496 13.014 685 HD3 PRO 96 1HD PRO 96 -4.775 -14.632 13.780 686 H GLU 97 H GLU 97 -6.133 -13.645 9.705 687 HA GLU 97 HA GLU 97 -5.135 -14.308 6.994 688 HB2 GLU 97 2HB GLU 97 -7.861 -13.211 7.714 689 HB3 GLU 97 1HB GLU 97 -7.279 -13.573 6.089 690 HG2 GLU 97 2HG GLU 97 -6.846 -15.961 7.003 691 HG3 GLU 97 1HG GLU 97 -7.912 -15.490 8.326 692 H VAL 98 H VAL 98 -5.876 -11.837 9.352 693 HA VAL 98 HA VAL 98 -5.393 -9.648 7.519 694 HB VAL 98 HB VAL 98 -5.615 -9.645 10.537 695 HG11 VAL 98 1HG1 VAL 98 -4.504 -7.643 9.714 696 HG12 VAL 98 2HG1 VAL 98 -6.160 -7.230 10.157 697 HG13 VAL 98 3HG1 VAL 98 -5.729 -7.439 8.460 698 HG21 VAL 98 1HG2 VAL 98 -7.802 -10.056 10.155 699 HG22 VAL 98 2HG2 VAL 98 -7.570 -9.958 8.410 700 HG23 VAL 98 3HG2 VAL 98 -7.881 -8.493 9.342 701 H LYS 99 H LYS 99 -3.473 -8.881 6.968 702 HA LYS 99 HA LYS 99 -1.126 -9.616 8.607 703 HB2 LYS 99 2HB LYS 99 -0.682 -8.468 5.929 704 HB3 LYS 99 1HB LYS 99 0.059 -9.875 6.693 705 HG2 LYS 99 2HG LYS 99 -2.135 -11.096 6.341 706 HG3 LYS 99 1HG LYS 99 -2.653 -9.728 5.355 707 HD2 LYS 99 2HD LYS 99 -0.654 -10.055 3.905 708 HD3 LYS 99 1HD LYS 99 -0.227 -11.478 4.857 709 HE2 LYS 99 2HE LYS 99 -1.429 -12.468 3.133 710 HE3 LYS 99 1HE LYS 99 -2.715 -12.195 4.307 711 HZ1 LYS 99 1HZ LYS 99 -3.431 -10.292 3.175 712 HZ2 LYS 99 2HZ LYS 99 -3.150 -11.440 1.954 713 HZ3 LYS 99 3HZ LYS 99 -2.023 -10.200 2.235 714 H LEU 100 H LEU 100 0.494 -8.038 9.003 715 HA LEU 100 HA LEU 100 -0.527 -5.262 8.954 716 HB2 LEU 100 2HB LEU 100 0.596 -6.870 11.055 717 HB3 LEU 100 1HB LEU 100 1.632 -5.474 10.762 718 HG LEU 100 HG LEU 100 -1.370 -5.309 11.144 719 HD11 LEU 100 1HD1 LEU 100 -0.680 -5.864 13.287 720 HD12 LEU 100 2HD1 LEU 100 -0.441 -4.117 13.325 721 HD13 LEU 100 3HD1 LEU 100 0.934 -5.189 13.054 722 HD21 LEU 100 1HD2 LEU 100 0.537 -3.500 10.084 723 HD22 LEU 100 2HD2 LEU 100 0.147 -2.916 11.701 724 HD23 LEU 100 3HD2 LEU 100 -1.137 -3.157 10.515 725 H VAL 101 H VAL 101 0.777 -3.622 8.230 726 HA VAL 101 HA VAL 101 3.458 -4.332 7.230 727 HB VAL 101 HB VAL 101 3.032 -3.150 5.135 728 HG11 VAL 101 1HG1 VAL 101 2.050 -4.962 4.152 729 HG12 VAL 101 2HG1 VAL 101 0.650 -4.911 5.223 730 HG13 VAL 101 3HG1 VAL 101 2.155 -5.648 5.773 731 HG21 VAL 101 1HG2 VAL 101 1.399 -1.587 5.163 732 HG22 VAL 101 2HG2 VAL 101 0.677 -2.276 6.617 733 HG23 VAL 101 3HG2 VAL 101 0.246 -2.915 5.031 734 H VAL 102 H VAL 102 4.919 -2.577 7.105 735 HA VAL 102 HA VAL 102 4.026 0.022 8.071 736 HB VAL 102 HB VAL 102 4.628 -1.205 10.118 737 HG11 VAL 102 1HG1 VAL 102 7.493 -1.347 9.401 738 HG12 VAL 102 2HG1 VAL 102 6.459 -2.493 8.550 739 HG13 VAL 102 3HG1 VAL 102 6.502 -2.488 10.314 740 HG21 VAL 102 1HG2 VAL 102 6.827 0.750 9.396 741 HG22 VAL 102 2HG2 VAL 102 6.158 0.431 10.997 742 HG23 VAL 102 3HG2 VAL 102 5.183 1.254 9.780 743 H GLU 103 H GLU 103 4.705 1.247 6.478 744 HA GLU 103 HA GLU 103 7.539 1.161 5.713 745 HB2 GLU 103 2HB GLU 103 6.985 1.345 3.338 746 HB3 GLU 103 1HB GLU 103 6.303 -0.136 4.009 747 HG2 GLU 103 2HG GLU 103 4.137 1.101 4.342 748 HG3 GLU 103 1HG GLU 103 4.839 2.458 3.465 749 H TYR 104 H TYR 104 8.346 3.128 4.860 750 HA TYR 104 HA TYR 104 6.641 5.478 5.444 751 HB2 TYR 104 2HB TYR 104 9.450 6.102 5.436 752 HB3 TYR 104 1HB TYR 104 8.281 6.276 6.744 753 HD1 TYR 104 1HD TYR 104 8.425 4.892 8.635 754 HD2 TYR 104 2HD TYR 104 10.350 3.695 4.986 755 HE1 TYR 104 1HE TYR 104 9.451 2.963 9.809 756 HE2 TYR 104 2HE TYR 104 11.375 1.766 6.159 757 HH TYR 104 HH TYR 104 10.354 0.536 8.909 758 H GLY 105 H GLY 105 6.725 7.230 4.037 759 HA2 GLY 105 2HA GLY 105 7.865 6.630 1.376 760 HA3 GLY 105 1HA GLY 105 6.461 7.651 1.663 761 H TRP 106 H TRP 106 9.067 8.182 0.289 762 HA TRP 106 HA TRP 106 9.511 10.804 1.421 763 HB2 TRP 106 2HB TRP 106 11.804 10.573 1.991 764 HB3 TRP 106 1HB TRP 106 10.991 9.205 2.754 765 HD1 TRP 106 HD TRP 106 13.136 10.067 -0.317 766 HE1 TRP 106 1HE TRP 106 14.296 7.914 -1.133 767 HE3 TRP 106 3HE TRP 106 10.946 6.654 2.788 768 HZ2 TRP 106 2HZ TRP 106 14.294 5.115 -0.546 769 HZ3 TRP 106 3HZ TRP 106 11.543 4.255 2.639 770 HH2 TRP 106 HH TRP 106 13.213 3.480 0.977 771 H ASN 107 H ASN 107 11.361 11.910 0.139 772 HA ASN 107 HA ASN 107 12.037 10.933 -2.444 773 HB2 ASN 107 2HB ASN 107 10.640 12.346 -3.824 774 HB3 ASN 107 1HB ASN 107 9.603 11.365 -2.793 775 HD21 ASN 107 1HD2 ASN 107 9.546 12.705 -0.396 776 HD22 ASN 107 2HD2 ASN 107 8.969 14.288 -0.602 777 H ASN 108 H ASN 108 13.829 11.973 -3.047 778 HA ASN 108 HA ASN 108 15.614 13.434 -2.838 779 HB2 ASN 108 2HB ASN 108 15.086 15.662 -3.614 780 HB3 ASN 108 1HB ASN 108 14.089 14.511 -4.499 781 HD21 ASN 108 1HD2 ASN 108 14.015 17.183 -2.241 782 HD22 ASN 108 2HD2 ASN 108 12.325 17.264 -2.097 783 H SER 109 H SER 109 14.981 16.292 -1.914 784 HA SER 109 HA SER 109 15.440 15.746 0.938 785 HB2 SER 109 2HB SER 109 17.133 17.148 0.086 786 HB3 SER 109 1HB SER 109 15.990 18.106 -0.852 787 HG SER 109 HG SER 109 16.651 18.216 1.842 788 H SER 110 H SER 110 13.132 15.237 1.223 789 HA SER 110 HA SER 110 11.608 17.700 1.761 790 HB2 SER 110 2HB SER 110 10.967 15.738 -0.238 791 HB3 SER 110 1HB SER 110 9.734 15.717 1.019 792 HG SER 110 HG SER 110 9.138 17.668 0.462 793 H LEU 111 H LEU 111 9.672 17.195 3.180 794 HA LEU 111 HA LEU 111 10.509 16.011 5.571 795 HB2 LEU 111 2HB LEU 111 7.663 15.861 5.451 796 HB3 LEU 111 1HB LEU 111 8.660 17.035 6.306 797 HG LEU 111 HG LEU 111 7.910 17.246 3.374 798 HD11 LEU 111 1HD1 LEU 111 5.879 17.638 4.454 799 HD12 LEU 111 2HD1 LEU 111 6.576 19.257 4.412 800 HD13 LEU 111 3HD1 LEU 111 6.656 18.301 5.891 801 HD21 LEU 111 1HD2 LEU 111 9.368 18.976 3.304 802 HD22 LEU 111 2HD2 LEU 111 9.941 18.479 4.896 803 HD23 LEU 111 3HD2 LEU 111 8.663 19.686 4.756 804 H GLN 112 H GLN 112 9.865 14.080 6.623 805 HA GLN 112 HA GLN 112 9.252 11.879 4.748 806 HB2 GLN 112 2HB GLN 112 10.183 10.566 6.876 807 HB3 GLN 112 1HB GLN 112 11.264 11.238 5.654 808 HG2 GLN 112 2HG GLN 112 10.403 12.871 8.037 809 HG3 GLN 112 1HG GLN 112 11.780 11.771 8.133 810 HE21 GLN 112 1HE2 GLN 112 11.334 14.931 7.862 811 HE22 GLN 112 2HE2 GLN 112 12.534 15.348 6.735 812 H PHE 113 H PHE 113 7.729 10.312 5.319 813 HA PHE 113 HA PHE 113 6.111 10.830 7.724 814 HB2 PHE 113 2HB PHE 113 4.222 10.098 5.851 815 HB3 PHE 113 1HB PHE 113 4.506 11.738 6.428 816 HD1 PHE 113 1HD PHE 113 5.366 9.293 3.767 817 HD2 PHE 113 2HD PHE 113 5.530 13.394 5.035 818 HE1 PHE 113 1HE PHE 113 6.102 9.967 1.496 819 HE2 PHE 113 2HE PHE 113 6.267 14.067 2.765 820 HZ PHE 113 HZ PHE 113 6.552 12.353 0.995 821 H LEU 114 H LEU 114 4.856 9.020 8.419 822 HA LEU 114 HA LEU 114 5.938 6.442 7.467 823 HB2 LEU 114 2HB LEU 114 5.346 5.568 9.682 824 HB3 LEU 114 1HB LEU 114 6.406 6.971 9.829 825 HG LEU 114 HG LEU 114 3.836 8.064 9.766 826 HD11 LEU 114 1HD1 LEU 114 3.885 5.673 11.631 827 HD12 LEU 114 2HD1 LEU 114 2.977 5.733 10.120 828 HD13 LEU 114 3HD1 LEU 114 2.571 6.834 11.437 829 HD21 LEU 114 1HD2 LEU 114 5.672 7.379 12.083 830 HD22 LEU 114 2HD2 LEU 114 4.299 8.480 12.203 831 HD23 LEU 114 3HD2 LEU 114 5.659 8.877 11.153 832 H GLN 115 H GLN 115 4.524 4.675 7.183 833 HA GLN 115 HA GLN 115 1.645 5.313 7.124 834 HB2 GLN 115 2HB GLN 115 3.323 4.197 4.881 835 HB3 GLN 115 1HB GLN 115 1.577 3.960 4.949 836 HG2 GLN 115 2HG GLN 115 1.143 6.114 4.387 837 HG3 GLN 115 1HG GLN 115 2.419 6.738 5.430 838 HE21 GLN 115 1HE2 GLN 115 2.851 4.351 2.799 839 HE22 GLN 115 2HE2 GLN 115 3.848 5.346 1.852 840 H ALA 116 H ALA 116 0.491 3.834 8.156 841 HA ALA 116 HA ALA 116 1.511 1.062 8.306 842 HB1 ALA 116 1HB ALA 116 1.949 1.883 10.474 843 HB2 ALA 116 2HB ALA 116 0.399 1.056 10.630 844 HB3 ALA 116 3HB ALA 116 0.452 2.816 10.516 845 H GLY 117 H GLY 117 0.048 -0.460 7.777 846 HA2 GLY 117 2HA GLY 117 -2.800 0.018 8.074 847 HA3 GLY 117 1HA GLY 117 -2.238 -0.076 6.409 848 H LEU 118 H LEU 118 -3.721 -1.938 6.334 849 HA LEU 118 HA LEU 118 -2.251 -4.400 6.803 850 HB2 LEU 118 2HB LEU 118 -4.265 -5.434 7.964 851 HB3 LEU 118 1HB LEU 118 -3.323 -4.297 8.931 852 HG LEU 118 HG LEU 118 -5.434 -2.998 7.362 853 HD11 LEU 118 1HD1 LEU 118 -7.281 -3.808 8.790 854 HD12 LEU 118 2HD1 LEU 118 -6.185 -4.962 9.550 855 HD13 LEU 118 3HD1 LEU 118 -6.590 -5.123 7.840 856 HD21 LEU 118 1HD2 LEU 118 -4.933 -3.057 10.350 857 HD22 LEU 118 2HD2 LEU 118 -5.759 -1.802 9.424 858 HD23 LEU 118 3HD2 LEU 118 -4.020 -2.034 9.241 859 H SER 119 H SER 119 -3.124 -6.192 5.647 860 HA SER 119 HA SER 119 -4.983 -5.391 3.489 861 HB2 SER 119 2HB SER 119 -3.696 -7.756 2.731 862 HB3 SER 119 1HB SER 119 -3.365 -6.134 2.129 863 HG SER 119 HG SER 119 -1.491 -7.079 2.996 864 H TYR 120 H TYR 120 -6.609 -6.829 2.839 865 HA TYR 120 HA TYR 120 -7.091 -9.158 4.579 866 HB2 TYR 120 2HB TYR 120 -8.399 -6.949 5.178 867 HB3 TYR 120 1HB TYR 120 -9.398 -7.418 3.802 868 HD1 TYR 120 1HD TYR 120 -8.832 -7.886 7.282 869 HD2 TYR 120 2HD TYR 120 -10.184 -9.922 3.748 870 HE1 TYR 120 1HE TYR 120 -9.999 -9.560 8.691 871 HE2 TYR 120 2HE TYR 120 -11.351 -11.596 5.159 872 HH TYR 120 HH TYR 120 -11.761 -12.291 7.222 873 H ARG 121 H ARG 121 -7.305 -10.891 3.327 874 HA ARG 121 HA ARG 121 -7.950 -10.610 0.505 875 HB2 ARG 121 2HB ARG 121 -7.425 -13.123 2.105 876 HB3 ARG 121 1HB ARG 121 -7.410 -12.965 0.348 877 HG2 ARG 121 2HG ARG 121 -5.595 -11.161 0.720 878 HG3 ARG 121 1HG ARG 121 -5.457 -11.830 2.346 879 HD2 ARG 121 2HD ARG 121 -3.928 -13.192 1.315 880 HD3 ARG 121 1HD ARG 121 -5.375 -14.121 0.942 881 HE ARG 121 HE ARG 121 -5.203 -12.402 -1.156 882 HH11 ARG 121 1HH1 ARG 121 -4.009 -12.820 -3.041 883 HH12 ARG 121 2HH1 ARG 121 -2.646 -13.887 -2.978 884 HH21 ARG 121 1HH2 ARG 121 -2.977 -14.537 0.413 885 HH22 ARG 121 2HH2 ARG 121 -2.063 -14.860 -1.023 886 H ILE 122 H ILE 122 -9.799 -11.283 -0.494 887 HA ILE 122 HA ILE 122 -12.049 -11.981 1.279 888 HB ILE 122 HB ILE 122 -13.299 -11.405 -0.990 889 HG12 ILE 122 2HG1 ILE 122 -10.756 -9.758 -1.174 890 HG13 ILE 122 1HG1 ILE 122 -11.105 -11.148 -2.203 891 HG21 ILE 122 1HG2 ILE 122 -13.426 -9.049 -0.197 892 HG22 ILE 122 2HG2 ILE 122 -12.063 -9.360 0.879 893 HG23 ILE 122 3HG2 ILE 122 -13.591 -10.204 1.124 894 HD11 ILE 122 1HD1 ILE 122 -12.399 -9.888 -3.543 895 HD12 ILE 122 2HD1 ILE 122 -11.924 -8.471 -2.605 896 HD13 ILE 122 3HD1 ILE 122 -13.377 -9.370 -2.168 897 H GLN 123 H GLN 123 -9.927 -13.308 -1.003 898 HA GLN 123 HA GLN 123 -11.623 -15.700 -1.203 899 HB2 GLN 123 2HB GLN 123 -10.668 -13.996 -3.422 900 HB3 GLN 123 1HB GLN 123 -10.434 -15.728 -3.647 901 HG2 GLN 123 2HG GLN 123 -12.743 -16.186 -3.462 902 HG3 GLN 123 1HG GLN 123 -13.078 -14.630 -2.705 903 HE21 GLN 123 1HE2 GLN 123 -14.186 -13.305 -4.141 904 HE22 GLN 123 2HE2 GLN 123 -13.890 -13.214 -5.809 905 HA PRO 124 HA PRO 124 -7.858 -17.796 -0.235 906 HB2 PRO 124 2HB PRO 124 -8.141 -20.156 -1.601 907 HB3 PRO 124 1HB PRO 124 -9.028 -19.772 -0.114 908 HG2 PRO 124 2HG PRO 124 -9.933 -19.654 -2.944 909 HG3 PRO 124 1HG PRO 124 -10.813 -20.168 -1.494 910 HD2 PRO 124 2HD PRO 124 -11.160 -17.712 -2.653 911 HD3 PRO 124 1HD PRO 124 -11.397 -18.010 -0.918 Start of MODEL 11 1 H1 MET 1 1HT MET 1 -9.637 -23.409 -4.178 2 H2 MET 1 2HT MET 1 -8.364 -22.818 -5.135 3 H3 MET 1 3HT MET 1 -9.413 -21.737 -4.349 4 HA MET 1 HA MET 1 -8.313 -21.843 -2.429 5 HB2 MET 1 2HB MET 1 -7.377 -24.083 -1.624 6 HB3 MET 1 1HB MET 1 -9.128 -24.006 -1.826 7 HG2 MET 1 2HG MET 1 -7.585 -24.818 -4.227 8 HG3 MET 1 1HG MET 1 -7.601 -25.974 -2.894 9 HE1 MET 1 1HE MET 1 -10.781 -27.680 -3.016 10 HE2 MET 1 2HE MET 1 -9.690 -26.989 -1.816 11 HE3 MET 1 3HE MET 1 -9.030 -27.833 -3.215 12 H GLN 2 H GLN 2 -7.104 -22.818 -5.440 13 HA GLN 2 HA GLN 2 -4.304 -22.860 -4.692 14 HB2 GLN 2 2HB GLN 2 -5.772 -23.830 -6.846 15 HB3 GLN 2 1HB GLN 2 -4.852 -22.488 -7.527 16 HG2 GLN 2 2HG GLN 2 -3.711 -24.791 -5.921 17 HG3 GLN 2 1HG GLN 2 -3.545 -24.561 -7.661 18 HE21 GLN 2 1HE2 GLN 2 -1.897 -24.093 -4.795 19 HE22 GLN 2 2HE2 GLN 2 -0.878 -22.823 -5.275 20 H ASP 3 H ASP 3 -6.556 -20.455 -5.067 21 HA ASP 3 HA ASP 3 -6.457 -18.188 -5.458 22 HB2 ASP 3 2HB ASP 3 -3.874 -18.910 -4.158 23 HB3 ASP 3 1HB ASP 3 -4.027 -17.288 -4.834 24 H GLY 4 H GLY 4 -6.701 -17.838 -7.610 25 HA2 GLY 4 2HA GLY 4 -4.391 -18.171 -9.394 26 HA3 GLY 4 1HA GLY 4 -6.059 -17.918 -9.895 27 HA PRO 5 HA PRO 5 -3.632 -13.876 -9.935 28 HB2 PRO 5 2HB PRO 5 -3.570 -13.504 -12.643 29 HB3 PRO 5 1HB PRO 5 -2.307 -14.374 -11.752 30 HG2 PRO 5 2HG PRO 5 -4.552 -15.440 -13.382 31 HG3 PRO 5 1HG PRO 5 -2.891 -16.033 -13.218 32 HD2 PRO 5 2HD PRO 5 -5.052 -17.156 -11.922 33 HD3 PRO 5 1HD PRO 5 -3.380 -17.263 -11.331 34 H GLY 6 H GLY 6 -4.578 -11.837 -10.234 35 HA2 GLY 6 2HA GLY 6 -6.198 -10.320 -11.077 36 HA3 GLY 6 1HA GLY 6 -7.189 -11.690 -11.569 37 H THR 7 H THR 7 -5.867 -12.037 -8.462 38 HA THR 7 HA THR 7 -8.375 -12.127 -7.177 39 HB THR 7 HB THR 7 -5.982 -11.525 -5.531 40 HG1 THR 7 1HG THR 7 -5.529 -12.910 -7.556 41 HG21 THR 7 1HG2 THR 7 -6.855 -13.421 -4.252 42 HG22 THR 7 2HG2 THR 7 -8.019 -13.769 -5.528 43 HG23 THR 7 3HG2 THR 7 -8.154 -12.279 -4.595 44 H LEU 8 H LEU 8 -9.055 -10.753 -5.346 45 HA LEU 8 HA LEU 8 -8.141 -7.967 -5.492 46 HB2 LEU 8 2HB LEU 8 -10.590 -7.259 -5.494 47 HB3 LEU 8 1HB LEU 8 -9.963 -7.885 -7.018 48 HG LEU 8 HG LEU 8 -10.985 -10.017 -5.312 49 HD11 LEU 8 1HD1 LEU 8 -12.508 -8.237 -4.537 50 HD12 LEU 8 2HD1 LEU 8 -13.370 -9.410 -5.532 51 HD13 LEU 8 3HD1 LEU 8 -12.909 -7.849 -6.210 52 HD21 LEU 8 1HD2 LEU 8 -10.472 -10.136 -7.762 53 HD22 LEU 8 2HD2 LEU 8 -11.818 -9.036 -8.060 54 HD23 LEU 8 3HD2 LEU 8 -12.120 -10.635 -7.381 55 H ASP 9 H ASP 9 -7.986 -7.078 -3.525 56 HA ASP 9 HA ASP 9 -9.643 -8.134 -1.337 57 HB2 ASP 9 2HB ASP 9 -7.574 -8.092 0.130 58 HB3 ASP 9 1HB ASP 9 -7.637 -9.392 -1.059 59 H VAL 10 H VAL 10 -9.647 -6.726 0.564 60 HA VAL 10 HA VAL 10 -9.300 -3.899 -0.214 61 HB VAL 10 HB VAL 10 -10.953 -3.397 1.520 62 HG11 VAL 10 1HG1 VAL 10 -11.834 -3.891 -0.682 63 HG12 VAL 10 2HG1 VAL 10 -12.891 -4.647 0.509 64 HG13 VAL 10 3HG1 VAL 10 -11.727 -5.626 -0.384 65 HG21 VAL 10 1HG2 VAL 10 -12.033 -5.881 2.191 66 HG22 VAL 10 2HG2 VAL 10 -11.066 -4.853 3.248 67 HG23 VAL 10 3HG2 VAL 10 -10.291 -6.130 2.311 68 H PHE 11 H PHE 11 -8.295 -2.444 1.207 69 HA PHE 11 HA PHE 11 -7.170 -3.386 3.704 70 HB2 PHE 11 2HB PHE 11 -4.902 -3.359 3.141 71 HB3 PHE 11 1HB PHE 11 -5.637 -4.152 1.747 72 HD1 PHE 11 1HD PHE 11 -6.254 -2.712 -0.281 73 HD2 PHE 11 2HD PHE 11 -3.697 -1.340 2.887 74 HE1 PHE 11 1HE PHE 11 -5.379 -0.926 -1.761 75 HE2 PHE 11 2HE PHE 11 -2.822 0.446 1.407 76 HZ PHE 11 HZ PHE 11 -3.662 0.654 -0.917 77 H VAL 12 H VAL 12 -6.638 -1.742 5.064 78 HA VAL 12 HA VAL 12 -7.077 1.001 4.052 79 HB VAL 12 HB VAL 12 -8.551 -0.081 5.930 80 HG11 VAL 12 1HG1 VAL 12 -6.318 0.970 7.659 81 HG12 VAL 12 2HG1 VAL 12 -6.342 -0.721 7.154 82 HG13 VAL 12 3HG1 VAL 12 -7.671 -0.067 8.111 83 HG21 VAL 12 1HG2 VAL 12 -8.263 2.281 7.177 84 HG22 VAL 12 2HG2 VAL 12 -9.036 2.147 5.598 85 HG23 VAL 12 3HG2 VAL 12 -7.346 2.640 5.714 86 H ALA 13 H ALA 13 -5.708 2.693 4.940 87 HA ALA 13 HA ALA 13 -3.327 1.920 6.376 88 HB1 ALA 13 1HB ALA 13 -2.051 3.209 4.387 89 HB2 ALA 13 2HB ALA 13 -3.333 2.436 3.455 90 HB3 ALA 13 3HB ALA 13 -2.234 1.456 4.427 91 H ALA 14 H ALA 14 -3.306 3.414 7.861 92 HA ALA 14 HA ALA 14 -3.953 6.210 7.161 93 HB1 ALA 14 1HB ALA 14 -3.827 6.074 9.923 94 HB2 ALA 14 2HB ALA 14 -4.538 4.522 9.476 95 HB3 ALA 14 3HB ALA 14 -5.303 6.023 8.958 96 H GLY 15 H GLY 15 -2.397 7.726 7.290 97 HA2 GLY 15 2HA GLY 15 0.150 7.003 8.622 98 HA3 GLY 15 1HA GLY 15 0.104 7.811 7.060 99 H TRP 16 H TRP 16 1.532 8.998 8.988 100 HA TRP 16 HA TRP 16 -0.119 11.338 9.709 101 HB2 TRP 16 2HB TRP 16 1.833 9.816 11.428 102 HB3 TRP 16 1HB TRP 16 1.450 11.507 11.747 103 HD1 TRP 16 HD TRP 16 -0.452 8.180 11.191 104 HE1 TRP 16 1HE TRP 16 -2.550 8.201 12.688 105 HE3 TRP 16 3HE TRP 16 -0.033 12.842 13.232 106 HZ2 TRP 16 2HZ TRP 16 -3.875 9.962 14.512 107 HZ3 TRP 16 3HZ TRP 16 -1.726 13.665 14.845 108 HH2 TRP 16 HH TRP 16 -3.643 12.233 15.487 109 H ASN 17 H ASN 17 0.884 13.325 9.508 110 HA ASN 17 HA ASN 17 3.430 13.292 8.023 111 HB2 ASN 17 2HB ASN 17 1.100 14.512 7.373 112 HB3 ASN 17 1HB ASN 17 1.900 15.811 8.256 113 HD21 ASN 17 1HD2 ASN 17 1.477 14.876 5.178 114 HD22 ASN 17 2HD2 ASN 17 2.982 15.290 4.510 115 H THR 18 H THR 18 5.144 14.635 8.614 116 HA THR 18 HA THR 18 5.737 14.901 11.307 117 HB THR 18 HB THR 18 6.792 16.717 9.133 118 HG1 THR 18 1HG THR 18 7.368 14.041 9.821 119 HG21 THR 18 1HG2 THR 18 7.440 17.306 11.431 120 HG22 THR 18 2HG2 THR 18 8.824 16.679 10.536 121 HG23 THR 18 3HG2 THR 18 7.991 15.654 11.706 122 H ASP 19 H ASP 19 3.986 17.072 9.189 123 HA ASP 19 HA ASP 19 4.040 19.331 10.953 124 HB2 ASP 19 2HB ASP 19 3.444 19.064 8.347 125 HB3 ASP 19 1HB ASP 19 1.813 19.020 9.015 126 H ASN 20 H ASN 20 2.778 16.419 11.496 127 HA ASN 20 HA ASN 20 1.297 15.678 13.104 128 HB2 ASN 20 2HB ASN 20 1.845 18.143 14.010 129 HB3 ASN 20 1HB ASN 20 0.147 18.372 13.597 130 HD21 ASN 20 1HD2 ASN 20 1.566 18.080 16.314 131 HD22 ASN 20 2HD2 ASN 20 0.698 16.849 17.096 132 H THR 21 H THR 21 0.668 15.828 10.325 133 HA THR 21 HA THR 21 -2.194 16.529 10.306 134 HB THR 21 HB THR 21 -0.965 15.577 7.807 135 HG1 THR 21 1HG THR 21 -0.241 18.153 8.343 136 HG21 THR 21 1HG2 THR 21 -2.314 18.209 8.411 137 HG22 THR 21 2HG2 THR 21 -3.234 16.719 8.207 138 HG23 THR 21 3HG2 THR 21 -2.254 17.338 6.878 139 H ILE 22 H ILE 22 -3.770 15.031 9.778 140 HA ILE 22 HA ILE 22 -2.965 12.223 10.113 141 HB ILE 22 HB ILE 22 -5.606 12.044 10.230 142 HG12 ILE 22 2HG1 ILE 22 -5.532 14.660 9.679 143 HG13 ILE 22 1HG1 ILE 22 -6.762 13.977 10.738 144 HG21 ILE 22 1HG2 ILE 22 -5.370 12.638 12.726 145 HG22 ILE 22 2HG2 ILE 22 -3.690 13.024 12.348 146 HG23 ILE 22 3HG2 ILE 22 -4.299 11.391 12.089 147 HD11 ILE 22 1HD1 ILE 22 -4.139 14.997 11.838 148 HD12 ILE 22 2HD1 ILE 22 -5.653 14.714 12.696 149 HD13 ILE 22 3HD1 ILE 22 -5.512 16.070 11.581 150 H GLU 23 H GLU 23 -2.693 11.070 8.323 151 HA GLU 23 HA GLU 23 -4.252 11.778 5.917 152 HB2 GLU 23 2HB GLU 23 -1.594 11.624 6.065 153 HB3 GLU 23 1HB GLU 23 -1.931 9.915 5.781 154 HG2 GLU 23 2HG GLU 23 -1.668 10.903 3.619 155 HG3 GLU 23 1HG GLU 23 -3.399 10.656 3.837 156 H ILE 24 H ILE 24 -5.636 10.350 5.040 157 HA ILE 24 HA ILE 24 -5.611 7.569 6.031 158 HB ILE 24 HB ILE 24 -8.072 9.305 5.722 159 HG12 ILE 24 2HG1 ILE 24 -7.946 8.384 8.325 160 HG13 ILE 24 1HG1 ILE 24 -6.255 8.737 7.962 161 HG21 ILE 24 1HG2 ILE 24 -7.644 6.413 6.505 162 HG22 ILE 24 2HG2 ILE 24 -8.621 7.034 5.176 163 HG23 ILE 24 3HG2 ILE 24 -9.138 7.286 6.844 164 HD11 ILE 24 1HD1 ILE 24 -6.929 10.997 7.165 165 HD12 ILE 24 2HD1 ILE 24 -7.335 10.740 8.861 166 HD13 ILE 24 3HD1 ILE 24 -8.592 10.641 7.628 167 H THR 25 H THR 25 -5.616 6.140 4.423 168 HA THR 25 HA THR 25 -6.867 6.872 1.857 169 HB THR 25 HB THR 25 -4.534 7.267 1.466 170 HG1 THR 25 1HG THR 25 -5.893 5.389 0.264 171 HG21 THR 25 1HG2 THR 25 -4.159 4.623 2.881 172 HG22 THR 25 2HG2 THR 25 -3.513 6.198 3.341 173 HG23 THR 25 3HG2 THR 25 -2.890 5.372 1.913 174 H GLY 26 H GLY 26 -7.808 5.183 0.746 175 HA2 GLY 26 2HA GLY 26 -7.530 2.463 1.808 176 HA3 GLY 26 1HA GLY 26 -9.136 3.185 1.820 177 H GLY 27 H GLY 27 -7.894 0.877 0.294 178 HA2 GLY 27 2HA GLY 27 -9.266 1.329 -2.176 179 HA3 GLY 27 1HA GLY 27 -7.519 1.372 -2.394 180 H ALA 28 H ALA 28 -7.487 -0.515 -3.641 181 HA ALA 28 HA ALA 28 -7.777 -2.991 -2.073 182 HB1 ALA 28 1HB ALA 28 -8.655 -4.060 -4.232 183 HB2 ALA 28 2HB ALA 28 -8.972 -2.415 -4.780 184 HB3 ALA 28 3HB ALA 28 -9.777 -3.033 -3.339 185 H THR 29 H THR 29 -6.749 -4.868 -3.317 186 HA THR 29 HA THR 29 -4.365 -3.944 -4.804 187 HB THR 29 HB THR 29 -4.325 -6.215 -2.816 188 HG1 THR 29 1HG THR 29 -3.038 -3.935 -2.100 189 HG21 THR 29 1HG2 THR 29 -2.017 -6.203 -3.139 190 HG22 THR 29 2HG2 THR 29 -2.004 -4.534 -3.705 191 HG23 THR 29 3HG2 THR 29 -2.600 -5.817 -4.757 192 H TYR 30 H TYR 30 -3.824 -5.123 -6.566 193 HA TYR 30 HA TYR 30 -5.589 -7.387 -7.240 194 HB2 TYR 30 2HB TYR 30 -4.519 -5.151 -8.736 195 HB3 TYR 30 1HB TYR 30 -4.089 -6.681 -9.500 196 HD1 TYR 30 1HD TYR 30 -6.916 -4.614 -8.273 197 HD2 TYR 30 2HD TYR 30 -5.750 -8.086 -10.516 198 HE1 TYR 30 1HE TYR 30 -9.233 -4.838 -9.128 199 HE2 TYR 30 2HE TYR 30 -8.066 -8.312 -11.372 200 HH TYR 30 HH TYR 30 -10.484 -5.841 -10.798 201 H GLN 31 H GLN 31 -4.692 -9.271 -6.658 202 HA GLN 31 HA GLN 31 -1.820 -9.646 -6.636 203 HB2 GLN 31 2HB GLN 31 -3.627 -10.671 -5.036 204 HB3 GLN 31 1HB GLN 31 -3.792 -11.882 -6.309 205 HG2 GLN 31 2HG GLN 31 -1.362 -12.318 -6.206 206 HG3 GLN 31 1HG GLN 31 -1.205 -11.121 -4.921 207 HE21 GLN 31 1HE2 GLN 31 -1.707 -14.433 -5.503 208 HE22 GLN 31 2HE2 GLN 31 -2.287 -14.860 -3.967 209 H LEU 32 H LEU 32 -0.944 -9.703 -8.641 210 HA LEU 32 HA LEU 32 -2.222 -11.324 -10.725 211 HB2 LEU 32 2HB LEU 32 -0.488 -8.995 -10.678 212 HB3 LEU 32 1HB LEU 32 0.141 -10.247 -11.749 213 HG LEU 32 HG LEU 32 -2.043 -10.394 -12.878 214 HD11 LEU 32 1HD1 LEU 32 -2.830 -8.781 -10.565 215 HD12 LEU 32 2HD1 LEU 32 -3.829 -9.752 -11.645 216 HD13 LEU 32 3HD1 LEU 32 -3.399 -8.102 -12.089 217 HD21 LEU 32 1HD2 LEU 32 -0.589 -8.873 -13.952 218 HD22 LEU 32 2HD2 LEU 32 -0.702 -7.700 -12.639 219 HD23 LEU 32 3HD2 LEU 32 -2.067 -7.939 -13.731 220 H SER 33 H SER 33 0.936 -10.981 -9.109 221 HA SER 33 HA SER 33 1.369 -13.857 -9.452 222 HB2 SER 33 2HB SER 33 2.670 -11.886 -11.054 223 HB3 SER 33 1HB SER 33 3.864 -12.583 -9.963 224 HG SER 33 HG SER 33 2.542 -13.694 -12.086 225 HA PRO 34 HA PRO 34 3.131 -13.543 -5.433 226 HB2 PRO 34 2HB PRO 34 5.173 -15.359 -5.508 227 HB3 PRO 34 1HB PRO 34 3.460 -15.822 -5.470 228 HG2 PRO 34 2HG PRO 34 5.342 -15.710 -7.772 229 HG3 PRO 34 1HG PRO 34 4.080 -16.898 -7.399 230 HD2 PRO 34 2HD PRO 34 3.751 -14.898 -9.246 231 HD3 PRO 34 1HD PRO 34 2.406 -15.613 -8.332 232 H TYR 35 H TYR 35 4.886 -12.562 -8.135 233 HA TYR 35 HA TYR 35 7.255 -11.733 -6.618 234 HB2 TYR 35 2HB TYR 35 6.694 -12.355 -9.379 235 HB3 TYR 35 1HB TYR 35 7.408 -10.748 -9.249 236 HD1 TYR 35 1HD TYR 35 8.137 -14.193 -9.451 237 HD2 TYR 35 2HD TYR 35 9.431 -10.580 -7.519 238 HE1 TYR 35 1HE TYR 35 10.365 -15.205 -9.048 239 HE2 TYR 35 2HE TYR 35 11.658 -11.593 -7.117 240 HH TYR 35 HH TYR 35 13.002 -13.677 -8.489 241 H ILE 36 H ILE 36 5.434 -10.026 -9.153 242 HA ILE 36 HA ILE 36 5.641 -7.572 -7.542 243 HB ILE 36 HB ILE 36 4.956 -7.943 -10.469 244 HG12 ILE 36 2HG1 ILE 36 7.409 -6.513 -9.737 245 HG13 ILE 36 1HG1 ILE 36 7.419 -8.195 -9.207 246 HG21 ILE 36 1HG2 ILE 36 5.511 -5.422 -10.428 247 HG22 ILE 36 2HG2 ILE 36 5.282 -5.528 -8.684 248 HG23 ILE 36 3HG2 ILE 36 3.949 -5.913 -9.774 249 HD11 ILE 36 1HD1 ILE 36 6.788 -7.260 -12.023 250 HD12 ILE 36 2HD1 ILE 36 6.858 -8.937 -11.480 251 HD13 ILE 36 3HD1 ILE 36 8.324 -7.955 -11.505 252 H MET 37 H MET 37 3.849 -6.265 -7.131 253 HA MET 37 HA MET 37 1.201 -7.424 -7.732 254 HB2 MET 37 2HB MET 37 1.980 -6.273 -5.044 255 HB3 MET 37 1HB MET 37 0.450 -7.041 -5.475 256 HG2 MET 37 2HG MET 37 1.659 -9.161 -5.926 257 HG3 MET 37 1HG MET 37 3.166 -8.390 -5.433 258 HE1 MET 37 1HE MET 37 3.614 -10.185 -3.128 259 HE2 MET 37 2HE MET 37 2.634 -10.808 -4.454 260 HE3 MET 37 3HE MET 37 2.091 -11.020 -2.792 261 H VAL 38 H VAL 38 -0.556 -5.878 -7.587 262 HA VAL 38 HA VAL 38 0.351 -3.136 -8.211 263 HB VAL 38 HB VAL 38 -2.428 -3.925 -8.837 264 HG11 VAL 38 1HG1 VAL 38 -2.024 -2.586 -10.772 265 HG12 VAL 38 2HG1 VAL 38 -0.275 -2.726 -10.590 266 HG13 VAL 38 3HG1 VAL 38 -1.207 -1.761 -9.445 267 HG21 VAL 38 1HG2 VAL 38 -0.005 -5.244 -10.071 268 HG22 VAL 38 2HG2 VAL 38 -1.510 -5.060 -10.969 269 HG23 VAL 38 3HG2 VAL 38 -1.482 -6.005 -9.480 270 H LYS 39 H LYS 39 -0.735 -1.358 -7.314 271 HA LYS 39 HA LYS 39 -2.745 -1.852 -5.247 272 HB2 LYS 39 2HB LYS 39 -0.619 -2.040 -4.036 273 HB3 LYS 39 1HB LYS 39 -0.112 -0.472 -4.668 274 HG2 LYS 39 2HG LYS 39 -1.693 0.699 -3.395 275 HG3 LYS 39 1HG LYS 39 -2.710 -0.725 -3.172 276 HD2 LYS 39 2HD LYS 39 -1.455 -0.116 -1.102 277 HD3 LYS 39 1HD LYS 39 -1.047 -1.728 -1.692 278 HE2 LYS 39 2HE LYS 39 0.936 -0.275 -1.023 279 HE3 LYS 39 1HE LYS 39 1.009 -0.956 -2.647 280 HZ1 LYS 39 1HZ LYS 39 1.323 1.644 -2.078 281 HZ2 LYS 39 2HZ LYS 39 -0.332 1.596 -2.463 282 HZ3 LYS 39 3HZ LYS 39 0.821 1.051 -3.586 283 H ALA 40 H ALA 40 -4.245 -0.294 -5.258 284 HA ALA 40 HA ALA 40 -3.545 2.414 -6.121 285 HB1 ALA 40 1HB ALA 40 -5.569 2.409 -7.658 286 HB2 ALA 40 2HB ALA 40 -5.559 0.650 -7.521 287 HB3 ALA 40 3HB ALA 40 -4.177 1.489 -8.227 288 H GLY 41 H GLY 41 -4.926 3.996 -5.331 289 HA2 GLY 41 2HA GLY 41 -7.453 3.474 -4.139 290 HA3 GLY 41 1HA GLY 41 -6.203 3.559 -2.900 291 H TYR 42 H TYR 42 -7.526 5.437 -2.194 292 HA TYR 42 HA TYR 42 -6.574 7.885 -3.535 293 HB2 TYR 42 2HB TYR 42 -8.994 8.695 -2.599 294 HB3 TYR 42 1HB TYR 42 -8.708 8.168 -4.257 295 HD1 TYR 42 1HD TYR 42 -9.751 6.971 -0.881 296 HD2 TYR 42 2HD TYR 42 -9.720 6.201 -5.107 297 HE1 TYR 42 1HE TYR 42 -11.308 5.069 -0.546 298 HE2 TYR 42 2HE TYR 42 -11.276 4.299 -4.773 299 HH TYR 42 HH TYR 42 -11.735 2.725 -2.248 300 H GLY 43 H GLY 43 -6.033 9.551 -2.178 301 HA2 GLY 43 2HA GLY 43 -6.030 8.908 0.703 302 HA3 GLY 43 1HA GLY 43 -4.885 9.979 -0.099 303 H TRP 44 H TRP 44 -6.506 10.574 2.224 304 HA TRP 44 HA TRP 44 -7.914 12.932 1.163 305 HB2 TRP 44 2HB TRP 44 -9.018 10.833 3.010 306 HB3 TRP 44 1HB TRP 44 -9.604 12.494 3.088 307 HD1 TRP 44 HD TRP 44 -9.554 9.426 0.842 308 HE1 TRP 44 1HE TRP 44 -11.240 9.766 -1.080 309 HE3 TRP 44 3HE TRP 44 -10.803 14.317 1.618 310 HZ2 TRP 44 2HZ TRP 44 -12.899 11.840 -2.146 311 HZ3 TRP 44 3HZ TRP 44 -12.436 15.448 0.137 312 HH2 TRP 44 HH TRP 44 -13.484 14.217 -1.743 313 H ASN 45 H ASN 45 -7.215 14.725 2.117 314 HA ASN 45 HA ASN 45 -5.821 14.497 4.711 315 HB2 ASN 45 2HB ASN 45 -4.713 15.452 2.536 316 HB3 ASN 45 1HB ASN 45 -5.632 16.902 2.931 317 HD21 ASN 45 1HD2 ASN 45 -3.954 18.249 3.730 318 HD22 ASN 45 2HD2 ASN 45 -2.981 17.840 5.060 319 H ASN 46 H ASN 46 -6.013 17.557 4.689 320 HA ASN 46 HA ASN 46 -8.814 17.807 5.602 321 HB2 ASN 46 2HB ASN 46 -6.556 19.189 7.024 322 HB3 ASN 46 1HB ASN 46 -8.186 18.850 7.602 323 HD21 ASN 46 1HD2 ASN 46 -8.377 16.085 6.937 324 HD22 ASN 46 2HD2 ASN 46 -7.246 15.227 7.868 325 H SER 47 H SER 47 -7.889 18.575 3.074 326 HA SER 47 HA SER 47 -8.650 21.336 3.058 327 HB2 SER 47 2HB SER 47 -6.401 21.826 3.648 328 HB3 SER 47 1HB SER 47 -5.766 20.603 2.551 329 HG SER 47 HG SER 47 -7.032 23.062 1.928 330 H SER 48 H SER 48 -9.828 19.208 1.855 331 HA SER 48 HA SER 48 -10.507 18.324 -0.162 332 HB2 SER 48 2HB SER 48 -9.758 21.142 -0.958 333 HB3 SER 48 1HB SER 48 -10.627 20.026 -2.007 334 HG SER 48 HG SER 48 -12.326 20.712 -0.984 335 H LEU 49 H LEU 49 -7.730 17.856 0.557 336 HA LEU 49 HA LEU 49 -6.352 17.943 -2.035 337 HB2 LEU 49 2HB LEU 49 -5.483 18.256 0.623 338 HB3 LEU 49 1HB LEU 49 -4.850 16.696 0.106 339 HG LEU 49 HG LEU 49 -3.239 18.446 -0.441 340 HD11 LEU 49 1HD1 LEU 49 -4.233 18.040 -3.166 341 HD12 LEU 49 2HD1 LEU 49 -4.230 16.558 -2.209 342 HD13 LEU 49 3HD1 LEU 49 -2.738 17.477 -2.419 343 HD21 LEU 49 1HD2 LEU 49 -4.701 19.814 -2.520 344 HD22 LEU 49 2HD2 LEU 49 -3.896 20.495 -1.105 345 HD23 LEU 49 3HD2 LEU 49 -5.571 19.954 -0.992 346 H ASN 50 H ASN 50 -7.038 16.298 -3.295 347 HA ASN 50 HA ASN 50 -7.341 13.625 -2.104 348 HB2 ASN 50 2HB ASN 50 -8.982 14.927 -3.813 349 HB3 ASN 50 1HB ASN 50 -7.970 14.056 -4.965 350 HD21 ASN 50 1HD2 ASN 50 -7.984 11.681 -4.863 351 HD22 ASN 50 2HD2 ASN 50 -9.230 10.854 -4.057 352 H ARG 51 H ARG 51 -5.536 12.448 -2.104 353 HA ARG 51 HA ARG 51 -3.606 12.768 -4.305 354 HB2 ARG 51 2HB ARG 51 -3.419 11.673 -1.508 355 HB3 ARG 51 1HB ARG 51 -2.199 11.277 -2.718 356 HG2 ARG 51 2HG ARG 51 -1.608 13.572 -3.016 357 HG3 ARG 51 1HG ARG 51 -3.027 14.124 -2.125 358 HD2 ARG 51 2HD ARG 51 -1.007 14.272 -0.723 359 HD3 ARG 51 1HD ARG 51 -2.141 13.096 -0.067 360 HE ARG 51 HE ARG 51 -0.332 11.772 -1.789 361 HH11 ARG 51 1HH1 ARG 51 1.372 10.589 -0.865 362 HH12 ARG 51 2HH1 ARG 51 1.866 10.917 0.763 363 HH21 ARG 51 1HH2 ARG 51 -0.487 13.417 1.250 364 HH22 ARG 51 2HH2 ARG 51 0.812 12.517 1.960 365 H PHE 52 H PHE 52 -3.598 11.327 -5.898 366 HA PHE 52 HA PHE 52 -4.970 8.758 -5.508 367 HB2 PHE 52 2HB PHE 52 -4.675 10.605 -7.715 368 HB3 PHE 52 1HB PHE 52 -4.161 8.985 -8.183 369 HD1 PHE 52 1HD PHE 52 -6.958 11.123 -7.779 370 HD2 PHE 52 2HD PHE 52 -5.738 7.023 -7.370 371 HE1 PHE 52 1HE PHE 52 -9.327 10.403 -7.920 372 HE2 PHE 52 2HE PHE 52 -8.108 6.305 -7.510 373 HZ PHE 52 HZ PHE 52 -9.901 7.995 -7.786 374 H GLU 53 H GLU 53 -3.779 7.037 -5.029 375 HA GLU 53 HA GLU 53 -0.913 7.038 -5.664 376 HB2 GLU 53 2HB GLU 53 -2.401 4.957 -4.065 377 HB3 GLU 53 1HB GLU 53 -0.678 5.338 -4.032 378 HG2 GLU 53 2HG GLU 53 -1.391 7.684 -3.246 379 HG3 GLU 53 1HG GLU 53 -2.971 6.966 -2.936 380 H PHE 54 H PHE 54 -0.171 5.985 -7.383 381 HA PHE 54 HA PHE 54 -1.614 3.601 -8.341 382 HB2 PHE 54 2HB PHE 54 -1.795 6.041 -9.630 383 HB3 PHE 54 1HB PHE 54 -0.503 5.222 -10.507 384 HD1 PHE 54 1HD PHE 54 -4.031 4.926 -9.378 385 HD2 PHE 54 2HD PHE 54 -0.946 3.332 -11.906 386 HE1 PHE 54 1HE PHE 54 -5.709 3.513 -10.535 387 HE2 PHE 54 2HE PHE 54 -2.623 1.918 -13.063 388 HZ PHE 54 HZ PHE 54 -5.005 2.008 -12.376 389 H GLY 55 H GLY 55 -0.216 1.971 -8.294 390 HA2 GLY 55 2HA GLY 55 2.126 1.780 -9.749 391 HA3 GLY 55 1HA GLY 55 2.614 2.335 -8.150 392 H GLY 56 H GLY 56 3.760 0.314 -7.928 393 HA2 GLY 56 2HA GLY 56 2.005 -1.824 -6.928 394 HA3 GLY 56 1HA GLY 56 3.228 -2.233 -8.127 395 H GLY 57 H GLY 57 3.739 -3.670 -6.142 396 HA2 GLY 57 2HA GLY 57 5.855 -2.304 -4.605 397 HA3 GLY 57 1HA GLY 57 4.696 -3.336 -3.776 398 H LEU 58 H LEU 58 7.329 -3.936 -3.538 399 HA LEU 58 HA LEU 58 7.668 -6.312 -5.275 400 HB2 LEU 58 2HB LEU 58 9.715 -4.393 -4.165 401 HB3 LEU 58 1HB LEU 58 10.150 -6.004 -4.737 402 HG LEU 58 HG LEU 58 8.416 -4.500 -6.584 403 HD11 LEU 58 1HD1 LEU 58 9.670 -2.582 -5.939 404 HD12 LEU 58 2HD1 LEU 58 10.466 -3.178 -7.395 405 HD13 LEU 58 3HD1 LEU 58 11.164 -3.508 -5.809 406 HD21 LEU 58 1HD2 LEU 58 9.543 -6.684 -7.062 407 HD22 LEU 58 2HD2 LEU 58 11.103 -5.870 -6.929 408 HD23 LEU 58 3HD2 LEU 58 9.981 -5.424 -8.216 409 H GLN 59 H GLN 59 8.525 -8.188 -4.307 410 HA GLN 59 HA GLN 59 8.748 -8.222 -1.380 411 HB2 GLN 59 2HB GLN 59 6.583 -9.443 -2.962 412 HB3 GLN 59 1HB GLN 59 7.358 -10.535 -1.814 413 HG2 GLN 59 2HG GLN 59 6.988 -8.911 -0.001 414 HG3 GLN 59 1HG GLN 59 6.237 -7.798 -1.144 415 HE21 GLN 59 1HE2 GLN 59 4.002 -8.013 -1.410 416 HE22 GLN 59 2HE2 GLN 59 3.099 -9.358 -0.910 417 H TYR 60 H TYR 60 9.617 -10.332 -0.597 418 HA TYR 60 HA TYR 60 11.333 -11.627 -2.633 419 HB2 TYR 60 2HB TYR 60 12.121 -10.119 -0.352 420 HB3 TYR 60 1HB TYR 60 12.519 -11.808 -0.042 421 HD1 TYR 60 1HD TYR 60 14.267 -12.917 -1.236 422 HD2 TYR 60 2HD TYR 60 12.955 -9.010 -2.450 423 HE1 TYR 60 1HE TYR 60 16.208 -12.741 -2.769 424 HE2 TYR 60 2HE TYR 60 14.896 -8.835 -3.985 425 HH TYR 60 HH TYR 60 16.425 -10.680 -5.230 426 H LYS 61 H LYS 61 12.084 -13.809 -1.964 427 HA LYS 61 HA LYS 61 9.918 -15.233 -0.547 428 HB2 LYS 61 2HB LYS 61 11.768 -15.989 -2.786 429 HB3 LYS 61 1HB LYS 61 11.063 -17.243 -1.766 430 HG2 LYS 61 2HG LYS 61 9.650 -16.819 -3.745 431 HG3 LYS 61 1HG LYS 61 8.804 -16.384 -2.260 432 HD2 LYS 61 2HD LYS 61 8.943 -14.113 -2.679 433 HD3 LYS 61 1HD LYS 61 10.416 -14.272 -3.638 434 HE2 LYS 61 2HE LYS 61 8.394 -13.716 -5.013 435 HE3 LYS 61 1HE LYS 61 9.169 -15.226 -5.491 436 HZ1 LYS 61 1HZ LYS 61 7.113 -16.052 -5.283 437 HZ2 LYS 61 2HZ LYS 61 6.575 -14.778 -4.296 438 HZ3 LYS 61 3HZ LYS 61 7.450 -16.069 -3.621 439 H VAL 62 H VAL 62 10.396 -15.788 1.476 440 HA VAL 62 HA VAL 62 12.970 -17.038 2.055 441 HB VAL 62 HB VAL 62 12.006 -14.560 3.505 442 HG11 VAL 62 1HG1 VAL 62 13.968 -16.708 4.180 443 HG12 VAL 62 2HG1 VAL 62 12.944 -15.748 5.248 444 HG13 VAL 62 3HG1 VAL 62 14.412 -15.046 4.569 445 HG21 VAL 62 1HG2 VAL 62 13.141 -13.921 1.502 446 HG22 VAL 62 2HG2 VAL 62 14.359 -15.180 1.704 447 HG23 VAL 62 3HG2 VAL 62 14.341 -13.788 2.786 448 H THR 63 H THR 63 9.768 -16.024 3.162 449 HA THR 63 HA THR 63 9.570 -18.522 4.688 450 HB THR 63 HB THR 63 8.184 -16.689 6.247 451 HG1 THR 63 1HG THR 63 9.532 -15.186 4.838 452 HG21 THR 63 1HG2 THR 63 9.636 -18.565 7.019 453 HG22 THR 63 2HG2 THR 63 9.983 -17.062 7.870 454 HG23 THR 63 3HG2 THR 63 11.053 -17.614 6.583 455 HA PRO 64 HA PRO 64 5.523 -19.095 3.032 456 HB2 PRO 64 2HB PRO 64 4.368 -18.580 5.745 457 HB3 PRO 64 1HB PRO 64 4.038 -19.905 4.612 458 HG2 PRO 64 2HG PRO 64 5.598 -20.245 6.745 459 HG3 PRO 64 1HG PRO 64 5.918 -21.067 5.208 460 HD2 PRO 64 2HD PRO 64 7.394 -18.835 6.479 461 HD3 PRO 64 1HD PRO 64 7.962 -20.041 5.305 462 H ASP 65 H ASP 65 6.398 -16.208 4.631 463 HA ASP 65 HA ASP 65 5.173 -14.436 2.951 464 HB2 ASP 65 2HB ASP 65 3.237 -15.543 4.879 465 HB3 ASP 65 1HB ASP 65 3.266 -13.785 4.815 466 H LEU 66 H LEU 66 7.427 -13.952 3.784 467 HA LEU 66 HA LEU 66 7.228 -11.733 5.634 468 HB2 LEU 66 2HB LEU 66 7.997 -14.250 6.652 469 HB3 LEU 66 1HB LEU 66 9.479 -13.301 6.513 470 HG LEU 66 HG LEU 66 6.932 -12.369 7.871 471 HD11 LEU 66 1HD1 LEU 66 9.588 -12.998 9.166 472 HD12 LEU 66 2HD1 LEU 66 8.326 -14.219 8.995 473 HD13 LEU 66 3HD1 LEU 66 8.023 -12.763 9.944 474 HD21 LEU 66 1HD2 LEU 66 9.262 -10.989 6.870 475 HD22 LEU 66 2HD2 LEU 66 9.206 -10.862 8.627 476 HD23 LEU 66 3HD2 LEU 66 7.836 -10.315 7.661 477 H GLU 67 H GLU 67 8.090 -10.267 4.279 478 HA GLU 67 HA GLU 67 10.878 -10.456 3.604 479 HB2 GLU 67 2HB GLU 67 10.263 -10.105 1.079 480 HB3 GLU 67 1HB GLU 67 10.303 -11.738 1.741 481 HG2 GLU 67 2HG GLU 67 7.742 -10.191 1.893 482 HG3 GLU 67 1HG GLU 67 8.209 -10.886 0.344 483 HA PRO 68 HA PRO 68 10.467 -6.056 3.783 484 HB2 PRO 68 2HB PRO 68 12.170 -5.307 1.688 485 HB3 PRO 68 1HB PRO 68 12.664 -5.621 3.360 486 HG2 PRO 68 2HG PRO 68 12.852 -7.363 0.972 487 HG3 PRO 68 1HG PRO 68 13.928 -7.239 2.375 488 HD2 PRO 68 2HD PRO 68 12.201 -9.309 2.060 489 HD3 PRO 68 1HD PRO 68 12.644 -8.682 3.661 490 H TYR 69 H TYR 69 9.366 -4.339 2.762 491 HA TYR 69 HA TYR 69 8.076 -5.032 0.188 492 HB2 TYR 69 2HB TYR 69 6.624 -4.965 2.295 493 HB3 TYR 69 1HB TYR 69 6.892 -3.221 2.286 494 HD1 TYR 69 1HD TYR 69 6.140 -1.847 0.345 495 HD2 TYR 69 2HD TYR 69 5.183 -6.019 0.687 496 HE1 TYR 69 1HE TYR 69 4.374 -1.581 -1.376 497 HE2 TYR 69 2HE TYR 69 3.415 -5.756 -1.033 498 HH TYR 69 HH TYR 69 2.696 -2.567 -2.452 499 H ALA 70 H ALA 70 8.270 -3.642 -1.443 500 HA ALA 70 HA ALA 70 9.479 -0.997 -0.887 501 HB1 ALA 70 1HB ALA 70 10.572 -2.956 -2.409 502 HB2 ALA 70 2HB ALA 70 10.845 -1.236 -2.693 503 HB3 ALA 70 3HB ALA 70 9.626 -2.102 -3.627 504 H TRP 71 H TRP 71 8.780 0.771 -2.220 505 HA TRP 71 HA TRP 71 6.181 0.365 -3.564 506 HB2 TRP 71 2HB TRP 71 5.397 1.279 -1.582 507 HB3 TRP 71 1HB TRP 71 6.850 2.246 -1.330 508 HD1 TRP 71 HD TRP 71 6.776 4.678 -2.104 509 HE1 TRP 71 1HE TRP 71 5.136 6.110 -3.489 510 HE3 TRP 71 3HE TRP 71 3.572 1.042 -3.711 511 HZ2 TRP 71 2HZ TRP 71 2.780 5.757 -5.068 512 HZ3 TRP 71 3HZ TRP 71 1.638 1.618 -5.154 513 HH2 TRP 71 HH TRP 71 1.239 3.968 -5.833 514 H ALA 72 H ALA 72 5.995 1.380 -5.471 515 HA ALA 72 HA ALA 72 7.611 3.720 -6.089 516 HB1 ALA 72 1HB ALA 72 9.025 2.801 -7.618 517 HB2 ALA 72 2HB ALA 72 7.843 1.601 -8.142 518 HB3 ALA 72 3HB ALA 72 8.768 1.341 -6.663 519 H GLY 73 H GLY 73 6.444 5.080 -7.287 520 HA2 GLY 73 2HA GLY 73 4.895 4.458 -9.520 521 HA3 GLY 73 1HA GLY 73 3.810 4.461 -8.133 522 H ALA 74 H ALA 74 2.775 6.275 -9.240 523 HA ALA 74 HA ALA 74 4.200 8.829 -8.768 524 HB1 ALA 74 1HB ALA 74 3.886 9.223 -10.957 525 HB2 ALA 74 2HB ALA 74 2.166 9.360 -10.592 526 HB3 ALA 74 3HB ALA 74 2.833 7.819 -11.130 527 H THR 75 H THR 75 2.654 10.684 -8.443 528 HA THR 75 HA THR 75 0.176 9.857 -7.078 529 HB THR 75 HB THR 75 2.237 11.767 -5.950 530 HG1 THR 75 1HG THR 75 1.753 9.094 -5.685 531 HG21 THR 75 1HG2 THR 75 0.451 12.644 -4.884 532 HG22 THR 75 2HG2 THR 75 0.363 11.122 -3.999 533 HG23 THR 75 3HG2 THR 75 -0.611 11.356 -5.450 534 H TYR 76 H TYR 76 -1.446 10.876 -8.045 535 HA TYR 76 HA TYR 76 -0.955 13.506 -9.281 536 HB2 TYR 76 2HB TYR 76 -1.876 11.881 -10.809 537 HB3 TYR 76 1HB TYR 76 -3.165 11.479 -9.672 538 HD1 TYR 76 1HD TYR 76 -5.146 12.794 -9.531 539 HD2 TYR 76 2HD TYR 76 -1.781 14.202 -11.799 540 HE1 TYR 76 1HE TYR 76 -6.541 14.619 -10.466 541 HE2 TYR 76 2HE TYR 76 -3.176 16.028 -12.735 542 HH TYR 76 HH TYR 76 -5.481 17.273 -11.737 543 H ASN 77 H ASN 77 -1.560 15.240 -8.170 544 HA ASN 77 HA ASN 77 -3.587 14.963 -6.060 545 HB2 ASN 77 2HB ASN 77 -1.639 17.198 -6.670 546 HB3 ASN 77 1HB ASN 77 -2.777 17.187 -5.323 547 HD21 ASN 77 1HD2 ASN 77 -0.364 14.874 -6.713 548 HD22 ASN 77 2HD2 ASN 77 0.290 14.441 -5.208 549 H THR 78 H THR 78 -5.372 16.363 -5.926 550 HA THR 78 HA THR 78 -6.732 16.905 -8.301 551 HB THR 78 HB THR 78 -7.716 16.730 -5.973 552 HG1 THR 78 1HG THR 78 -9.003 17.448 -7.633 553 HG21 THR 78 1HG2 THR 78 -7.058 19.670 -5.795 554 HG22 THR 78 2HG2 THR 78 -6.026 18.438 -5.066 555 HG23 THR 78 3HG2 THR 78 -7.698 18.616 -4.534 556 H ASP 79 H ASP 79 -4.337 18.758 -6.616 557 HA ASP 79 HA ASP 79 -4.970 21.286 -7.833 558 HB2 ASP 79 2HB ASP 79 -2.602 20.240 -6.287 559 HB3 ASP 79 1HB ASP 79 -2.611 21.853 -6.999 560 H ASN 80 H ASN 80 -4.600 18.947 -9.617 561 HA ASN 80 HA ASN 80 -3.603 18.421 -11.620 562 HB2 ASN 80 2HB ASN 80 -4.483 20.689 -12.139 563 HB3 ASN 80 1HB ASN 80 -2.938 21.373 -11.638 564 HD21 ASN 80 1HD2 ASN 80 -4.063 18.709 -13.815 565 HD22 ASN 80 2HD2 ASN 80 -2.973 19.084 -15.061 566 H THR 81 H THR 81 -1.986 18.291 -9.155 567 HA THR 81 HA THR 81 0.709 18.872 -10.196 568 HB THR 81 HB THR 81 0.578 17.824 -7.481 569 HG1 THR 81 1HG THR 81 -0.326 20.260 -7.185 570 HG21 THR 81 1HG2 THR 81 2.472 19.054 -8.596 571 HG22 THR 81 2HG2 THR 81 1.984 19.738 -7.045 572 HG23 THR 81 3HG2 THR 81 1.478 20.511 -8.548 573 H LEU 82 H LEU 82 1.999 17.280 -10.868 574 HA LEU 82 HA LEU 82 1.395 14.510 -10.047 575 HB2 LEU 82 2HB LEU 82 0.487 14.691 -12.262 576 HB3 LEU 82 1HB LEU 82 1.916 15.540 -12.843 577 HG LEU 82 HG LEU 82 3.277 13.562 -12.630 578 HD11 LEU 82 1HD1 LEU 82 2.071 11.405 -11.851 579 HD12 LEU 82 2HD1 LEU 82 0.883 12.494 -11.134 580 HD13 LEU 82 3HD1 LEU 82 2.566 12.556 -10.610 581 HD21 LEU 82 1HD2 LEU 82 1.441 13.798 -14.509 582 HD22 LEU 82 2HD2 LEU 82 0.717 12.412 -13.693 583 HD23 LEU 82 3HD2 LEU 82 2.350 12.295 -14.351 584 H VAL 83 H VAL 83 3.100 13.880 -8.890 585 HA VAL 83 HA VAL 83 5.783 14.321 -10.013 586 HB VAL 83 HB VAL 83 6.305 14.490 -7.348 587 HG11 VAL 83 1HG1 VAL 83 5.582 16.764 -9.225 588 HG12 VAL 83 2HG1 VAL 83 7.162 15.990 -9.101 589 HG13 VAL 83 3HG1 VAL 83 6.532 16.927 -7.749 590 HG21 VAL 83 1HG2 VAL 83 3.780 16.109 -7.762 591 HG22 VAL 83 2HG2 VAL 83 4.670 15.857 -6.260 592 HG23 VAL 83 3HG2 VAL 83 3.773 14.525 -6.989 593 HA PRO 84 HA PRO 84 6.337 10.055 -9.015 594 HB2 PRO 84 2HB PRO 84 9.003 9.942 -8.400 595 HB3 PRO 84 1HB PRO 84 8.388 10.123 -10.053 596 HG2 PRO 84 2HG PRO 84 9.488 12.178 -8.206 597 HG3 PRO 84 1HG PRO 84 9.697 12.002 -9.957 598 HD2 PRO 84 2HD PRO 84 7.968 13.806 -8.836 599 HD3 PRO 84 1HD PRO 84 7.715 13.084 -10.439 600 H ALA 85 H ALA 85 6.877 8.528 -7.284 601 HA ALA 85 HA ALA 85 7.416 9.642 -4.642 602 HB1 ALA 85 1HB ALA 85 4.796 9.429 -5.391 603 HB2 ALA 85 2HB ALA 85 5.367 9.342 -3.725 604 HB3 ALA 85 3HB ALA 85 5.074 7.860 -4.636 605 H ALA 86 H ALA 86 8.432 8.211 -3.323 606 HA ALA 86 HA ALA 86 8.331 5.353 -3.886 607 HB1 ALA 86 1HB ALA 86 10.573 7.061 -4.673 608 HB2 ALA 86 2HB ALA 86 10.199 5.403 -5.144 609 HB3 ALA 86 3HB ALA 86 11.056 5.720 -3.634 610 H GLY 87 H GLY 87 8.920 4.086 -2.129 611 HA2 GLY 87 2HA GLY 87 10.116 5.278 0.229 612 HA3 GLY 87 1HA GLY 87 8.419 4.847 0.413 613 H ALA 88 H ALA 88 9.530 3.458 2.122 614 HA ALA 88 HA ALA 88 9.934 0.787 0.973 615 HB1 ALA 88 1HB ALA 88 11.943 0.359 2.113 616 HB2 ALA 88 2HB ALA 88 11.745 1.754 3.173 617 HB3 ALA 88 3HB ALA 88 12.167 1.989 1.477 618 H GLY 89 H GLY 89 9.484 -0.930 2.435 619 HA2 GLY 89 2HA GLY 89 8.525 -0.344 5.106 620 HA3 GLY 89 1HA GLY 89 7.260 -0.800 3.970 621 H PHE 90 H PHE 90 7.064 -2.587 5.615 622 HA PHE 90 HA PHE 90 8.665 -4.878 4.703 623 HB2 PHE 90 2HB PHE 90 9.084 -3.652 7.184 624 HB3 PHE 90 1HB PHE 90 8.104 -5.076 7.540 625 HD1 PHE 90 1HD PHE 90 11.329 -3.857 6.293 626 HD2 PHE 90 2HD PHE 90 8.897 -7.338 6.945 627 HE1 PHE 90 1HE PHE 90 13.319 -5.306 5.991 628 HE2 PHE 90 2HE PHE 90 10.887 -8.785 6.642 629 HZ PHE 90 HZ PHE 90 13.099 -7.770 6.167 630 H ARG 91 H ARG 91 7.566 -6.813 4.669 631 HA ARG 91 HA ARG 91 4.674 -6.645 5.255 632 HB2 ARG 91 2HB ARG 91 5.754 -7.214 2.881 633 HB3 ARG 91 1HB ARG 91 5.792 -8.835 3.575 634 HG2 ARG 91 2HG ARG 91 3.378 -8.643 4.117 635 HG3 ARG 91 1HG ARG 91 3.349 -7.049 3.362 636 HD2 ARG 91 2HD ARG 91 4.095 -8.070 1.227 637 HD3 ARG 91 1HD ARG 91 4.049 -9.659 1.987 638 HE ARG 91 HE ARG 91 1.722 -9.616 1.835 639 HH11 ARG 91 1HH1 ARG 91 -0.228 -8.707 1.101 640 HH12 ARG 91 2HH1 ARG 91 -0.265 -7.056 0.582 641 HH21 ARG 91 1HH2 ARG 91 3.102 -6.508 1.199 642 HH22 ARG 91 2HH2 ARG 91 1.619 -5.811 0.637 643 H TYR 92 H TYR 92 4.143 -7.574 7.116 644 HA TYR 92 HA TYR 92 5.357 -10.180 7.792 645 HB2 TYR 92 2HB TYR 92 6.473 -8.863 9.343 646 HB3 TYR 92 1HB TYR 92 5.138 -7.719 9.487 647 HD1 TYR 92 1HD TYR 92 6.036 -11.287 10.181 648 HD2 TYR 92 2HD TYR 92 3.606 -7.911 11.255 649 HE1 TYR 92 1HE TYR 92 5.182 -12.528 12.151 650 HE2 TYR 92 2HE TYR 92 2.752 -9.153 13.224 651 HH TYR 92 HH TYR 92 2.836 -11.034 14.387 652 H LYS 93 H LYS 93 3.749 -11.605 7.656 653 HA LYS 93 HA LYS 93 0.991 -10.877 7.967 654 HB2 LYS 93 2HB LYS 93 0.551 -13.263 7.621 655 HB3 LYS 93 1HB LYS 93 1.712 -12.670 6.432 656 HG2 LYS 93 2HG LYS 93 3.069 -14.348 7.089 657 HG3 LYS 93 1HG LYS 93 3.296 -13.453 8.592 658 HD2 LYS 93 2HD LYS 93 1.307 -14.597 9.549 659 HD3 LYS 93 1HD LYS 93 1.153 -15.534 8.062 660 HE2 LYS 93 2HE LYS 93 3.770 -15.981 8.649 661 HE3 LYS 93 1HE LYS 93 3.107 -15.806 10.274 662 HZ1 LYS 93 1HZ LYS 93 3.024 -18.063 8.792 663 HZ2 LYS 93 2HZ LYS 93 1.480 -17.408 8.525 664 HZ3 LYS 93 3HZ LYS 93 2.009 -17.725 10.109 665 H VAL 94 H VAL 94 -0.447 -11.517 9.585 666 HA VAL 94 HA VAL 94 0.796 -12.378 12.132 667 HB VAL 94 HB VAL 94 0.168 -9.996 12.208 668 HG11 VAL 94 1HG1 VAL 94 -1.806 -10.568 10.503 669 HG12 VAL 94 2HG1 VAL 94 -1.918 -9.200 11.613 670 HG13 VAL 94 3HG1 VAL 94 -2.725 -10.720 12.002 671 HG21 VAL 94 1HG2 VAL 94 -1.997 -10.980 13.879 672 HG22 VAL 94 2HG2 VAL 94 -0.438 -10.309 14.361 673 HG23 VAL 94 3HG2 VAL 94 -0.585 -12.030 13.998 674 H SER 95 H SER 95 -1.942 -12.530 9.951 675 HA SER 95 HA SER 95 -2.787 -15.021 11.238 676 HB2 SER 95 2HB SER 95 -4.186 -12.557 11.572 677 HB3 SER 95 1HB SER 95 -5.162 -13.605 10.547 678 HG SER 95 HG SER 95 -5.662 -14.529 12.368 679 HA PRO 96 HA PRO 96 -3.491 -16.311 7.094 680 HB2 PRO 96 2HB PRO 96 -5.708 -17.900 7.304 681 HB3 PRO 96 1HB PRO 96 -4.106 -18.378 7.898 682 HG2 PRO 96 2HG PRO 96 -6.445 -17.321 9.403 683 HG3 PRO 96 1HG PRO 96 -5.284 -18.581 9.856 684 HD2 PRO 96 2HD PRO 96 -5.160 -16.018 10.821 685 HD3 PRO 96 1HD PRO 96 -3.733 -17.062 10.638 686 H GLU 97 H GLU 97 -5.772 -14.353 8.662 687 HA GLU 97 HA GLU 97 -7.177 -13.823 6.109 688 HB2 GLU 97 2HB GLU 97 -8.270 -13.772 8.929 689 HB3 GLU 97 1HB GLU 97 -9.131 -13.143 7.522 690 HG2 GLU 97 2HG GLU 97 -9.481 -15.243 6.623 691 HG3 GLU 97 1HG GLU 97 -8.034 -15.919 7.370 692 H VAL 98 H VAL 98 -5.102 -12.619 8.436 693 HA VAL 98 HA VAL 98 -5.656 -9.851 7.570 694 HB VAL 98 HB VAL 98 -4.919 -10.668 10.389 695 HG11 VAL 98 1HG1 VAL 98 -4.040 -8.485 9.845 696 HG12 VAL 98 2HG1 VAL 98 -5.491 -8.245 10.820 697 HG13 VAL 98 3HG1 VAL 98 -5.554 -8.014 9.072 698 HG21 VAL 98 1HG2 VAL 98 -7.513 -10.192 9.003 699 HG22 VAL 98 2HG2 VAL 98 -7.331 -9.482 10.608 700 HG23 VAL 98 3HG2 VAL 98 -7.151 -11.223 10.388 701 H LYS 99 H LYS 99 -3.869 -8.558 7.266 702 HA LYS 99 HA LYS 99 -1.221 -9.784 7.720 703 HB2 LYS 99 2HB LYS 99 -2.257 -8.495 5.192 704 HB3 LYS 99 1HB LYS 99 -0.540 -8.741 5.509 705 HG2 LYS 99 2HG LYS 99 -0.854 -11.139 5.685 706 HG3 LYS 99 1HG LYS 99 -2.605 -10.958 5.568 707 HD2 LYS 99 2HD LYS 99 -2.452 -10.177 3.295 708 HD3 LYS 99 1HD LYS 99 -0.695 -10.058 3.396 709 HE2 LYS 99 2HE LYS 99 -1.509 -12.121 2.199 710 HE3 LYS 99 1HE LYS 99 -0.479 -12.460 3.588 711 HZ1 LYS 99 1HZ LYS 99 -2.848 -13.598 3.211 712 HZ2 LYS 99 2HZ LYS 99 -3.324 -12.251 4.132 713 HZ3 LYS 99 3HZ LYS 99 -2.176 -13.342 4.746 714 H LEU 100 H LEU 100 0.423 -8.366 8.249 715 HA LEU 100 HA LEU 100 -0.443 -5.611 8.870 716 HB2 LEU 100 2HB LEU 100 0.894 -7.592 10.414 717 HB3 LEU 100 1HB LEU 100 2.052 -6.299 10.108 718 HG LEU 100 HG LEU 100 0.793 -5.852 12.168 719 HD11 LEU 100 1HD1 LEU 100 1.220 -4.087 10.097 720 HD12 LEU 100 2HD1 LEU 100 0.707 -3.634 11.723 721 HD13 LEU 100 3HD1 LEU 100 -0.492 -3.848 10.446 722 HD21 LEU 100 1HD2 LEU 100 -1.401 -6.332 12.329 723 HD22 LEU 100 2HD2 LEU 100 -1.367 -6.896 10.657 724 HD23 LEU 100 3HD2 LEU 100 -1.771 -5.217 11.014 725 H VAL 101 H VAL 101 0.634 -3.892 8.051 726 HA VAL 101 HA VAL 101 3.160 -4.357 6.614 727 HB VAL 101 HB VAL 101 2.389 -3.086 4.689 728 HG11 VAL 101 1HG1 VAL 101 0.183 -5.066 5.188 729 HG12 VAL 101 2HG1 VAL 101 1.851 -5.629 5.079 730 HG13 VAL 101 3HG1 VAL 101 1.114 -4.785 3.716 731 HG21 VAL 101 1HG2 VAL 101 0.832 -1.557 5.708 732 HG22 VAL 101 2HG2 VAL 101 -0.173 -2.882 6.296 733 HG23 VAL 101 3HG2 VAL 101 -0.090 -2.538 4.568 734 H VAL 102 H VAL 102 4.517 -2.551 6.498 735 HA VAL 102 HA VAL 102 3.636 -0.053 7.707 736 HB VAL 102 HB VAL 102 6.155 -1.380 8.701 737 HG11 VAL 102 1HG1 VAL 102 4.475 0.599 10.196 738 HG12 VAL 102 2HG1 VAL 102 5.473 1.178 8.861 739 HG13 VAL 102 3HG1 VAL 102 6.222 0.360 10.233 740 HG21 VAL 102 1HG2 VAL 102 3.356 -1.509 9.864 741 HG22 VAL 102 2HG2 VAL 102 4.816 -1.957 10.745 742 HG23 VAL 102 3HG2 VAL 102 4.331 -2.871 9.317 743 H GLU 103 H GLU 103 4.106 1.290 6.133 744 HA GLU 103 HA GLU 103 6.824 1.267 4.993 745 HB2 GLU 103 2HB GLU 103 6.000 1.642 2.780 746 HB3 GLU 103 1HB GLU 103 5.119 0.253 3.417 747 HG2 GLU 103 2HG GLU 103 3.360 1.993 4.196 748 HG3 GLU 103 1HG GLU 103 4.156 3.088 3.064 749 H TYR 104 H TYR 104 7.592 3.305 4.276 750 HA TYR 104 HA TYR 104 6.038 5.634 5.236 751 HB2 TYR 104 2HB TYR 104 8.781 6.261 5.439 752 HB3 TYR 104 1HB TYR 104 7.633 6.030 6.759 753 HD1 TYR 104 1HD TYR 104 10.402 4.582 4.885 754 HD2 TYR 104 2HD TYR 104 7.331 3.766 7.775 755 HE1 TYR 104 1HE TYR 104 11.578 2.501 5.547 756 HE2 TYR 104 2HE TYR 104 8.505 1.684 8.436 757 HH TYR 104 HH TYR 104 10.799 0.767 8.362 758 H GLY 105 H GLY 105 5.837 7.242 3.804 759 HA2 GLY 105 2HA GLY 105 6.844 6.939 1.140 760 HA3 GLY 105 1HA GLY 105 5.921 8.308 1.756 761 H TRP 106 H TRP 106 8.550 7.898 0.162 762 HA TRP 106 HA TRP 106 10.028 9.993 1.607 763 HB2 TRP 106 2HB TRP 106 10.958 7.567 1.922 764 HB3 TRP 106 1HB TRP 106 11.544 7.775 0.271 765 HD1 TRP 106 HD TRP 106 11.652 9.687 3.636 766 HE1 TRP 106 1HE TRP 106 13.923 10.897 3.795 767 HE3 TRP 106 3HE TRP 106 13.625 8.462 -0.912 768 HZ2 TRP 106 2HZ TRP 106 16.267 11.292 2.204 769 HZ3 TRP 106 3HZ TRP 106 15.877 9.267 -1.565 770 HH2 TRP 106 HH TRP 106 17.199 10.680 -0.014 771 H ASN 107 H ASN 107 11.660 11.057 0.192 772 HA ASN 107 HA ASN 107 11.502 10.723 -2.651 773 HB2 ASN 107 2HB ASN 107 9.320 11.924 -1.969 774 HB3 ASN 107 1HB ASN 107 10.352 13.316 -1.643 775 HD21 ASN 107 1HD2 ASN 107 10.523 10.853 -4.274 776 HD22 ASN 107 2HD2 ASN 107 10.442 11.988 -5.534 777 H ASN 108 H ASN 108 12.795 12.379 -3.796 778 HA ASN 108 HA ASN 108 15.295 12.769 -2.671 779 HB2 ASN 108 2HB ASN 108 14.066 14.585 -4.751 780 HB3 ASN 108 1HB ASN 108 15.773 14.214 -4.523 781 HD21 ASN 108 1HD2 ASN 108 16.554 12.630 -5.914 782 HD22 ASN 108 2HD2 ASN 108 15.611 11.419 -6.637 783 H SER 109 H SER 109 15.493 13.731 -0.714 784 HA SER 109 HA SER 109 15.257 15.309 0.965 785 HB2 SER 109 2HB SER 109 15.795 17.661 0.038 786 HB3 SER 109 1HB SER 109 17.009 16.399 -0.152 787 HG SER 109 HG SER 109 16.583 17.582 -2.095 788 H SER 110 H SER 110 13.015 14.956 1.397 789 HA SER 110 HA SER 110 11.422 17.324 1.078 790 HB2 SER 110 2HB SER 110 11.203 15.533 -1.009 791 HB3 SER 110 1HB SER 110 9.873 15.063 0.045 792 HG SER 110 HG SER 110 9.171 16.699 -1.306 793 H LEU 111 H LEU 111 9.267 17.061 2.147 794 HA LEU 111 HA LEU 111 9.522 16.006 4.716 795 HB2 LEU 111 2HB LEU 111 6.920 16.435 3.236 796 HB3 LEU 111 1HB LEU 111 7.167 16.454 4.983 797 HG LEU 111 HG LEU 111 8.398 18.400 3.007 798 HD11 LEU 111 1HD1 LEU 111 5.823 18.326 4.205 799 HD12 LEU 111 2HD1 LEU 111 6.546 19.647 3.286 800 HD13 LEU 111 3HD1 LEU 111 6.739 19.581 5.037 801 HD21 LEU 111 1HD2 LEU 111 8.840 19.570 5.332 802 HD22 LEU 111 2HD2 LEU 111 9.940 18.317 4.759 803 HD23 LEU 111 3HD2 LEU 111 8.709 17.926 5.958 804 H GLN 112 H GLN 112 9.120 14.070 5.632 805 HA GLN 112 HA GLN 112 8.251 11.882 3.845 806 HB2 GLN 112 2HB GLN 112 9.358 10.428 5.627 807 HB3 GLN 112 1HB GLN 112 10.440 11.423 4.650 808 HG2 GLN 112 2HG GLN 112 9.357 12.616 7.162 809 HG3 GLN 112 1HG GLN 112 10.604 11.382 7.317 810 HE21 GLN 112 1HE2 GLN 112 10.215 14.689 7.023 811 HE22 GLN 112 2HE2 GLN 112 11.724 15.078 6.350 812 H PHE 113 H PHE 113 7.110 10.070 5.008 813 HA PHE 113 HA PHE 113 5.583 10.829 7.363 814 HB2 PHE 113 2HB PHE 113 3.699 9.906 5.381 815 HB3 PHE 113 1HB PHE 113 3.660 11.380 6.351 816 HD1 PHE 113 1HD PHE 113 4.666 9.889 3.144 817 HD2 PHE 113 2HD PHE 113 4.662 13.464 5.527 818 HE1 PHE 113 1HE PHE 113 5.268 11.224 1.143 819 HE2 PHE 113 2HE PHE 113 5.263 14.799 3.525 820 HZ PHE 113 HZ PHE 113 5.566 13.680 1.332 821 H LEU 114 H LEU 114 4.304 9.052 8.205 822 HA LEU 114 HA LEU 114 5.399 6.432 7.378 823 HB2 LEU 114 2HB LEU 114 4.181 7.238 10.031 824 HB3 LEU 114 1HB LEU 114 4.925 5.685 9.652 825 HG LEU 114 HG LEU 114 6.896 7.448 8.905 826 HD11 LEU 114 1HD1 LEU 114 5.813 8.491 11.525 827 HD12 LEU 114 2HD1 LEU 114 5.408 9.247 9.985 828 HD13 LEU 114 3HD1 LEU 114 7.087 9.182 10.521 829 HD21 LEU 114 1HD2 LEU 114 7.340 5.461 10.180 830 HD22 LEU 114 2HD2 LEU 114 6.373 6.042 11.536 831 HD23 LEU 114 3HD2 LEU 114 7.911 6.816 11.155 832 H GLN 115 H GLN 115 4.005 4.642 7.203 833 HA GLN 115 HA GLN 115 1.117 5.200 7.286 834 HB2 GLN 115 2HB GLN 115 2.713 4.290 4.913 835 HB3 GLN 115 1HB GLN 115 1.030 3.793 5.093 836 HG2 GLN 115 2HG GLN 115 0.324 6.129 5.247 837 HG3 GLN 115 1HG GLN 115 2.002 6.664 5.165 838 HE21 GLN 115 1HE2 GLN 115 2.884 4.814 3.108 839 HE22 GLN 115 2HE2 GLN 115 2.116 5.259 1.662 840 H ALA 116 H ALA 116 0.093 3.675 8.385 841 HA ALA 116 HA ALA 116 1.182 0.927 8.389 842 HB1 ALA 116 1HB ALA 116 0.680 2.737 10.667 843 HB2 ALA 116 2HB ALA 116 1.754 1.343 10.546 844 HB3 ALA 116 3HB ALA 116 0.034 1.105 10.852 845 H GLY 117 H GLY 117 -0.341 -0.719 8.417 846 HA2 GLY 117 2HA GLY 117 -3.082 -0.427 8.972 847 HA3 GLY 117 1HA GLY 117 -2.844 -0.197 7.244 848 H LEU 118 H LEU 118 -4.208 -2.142 7.090 849 HA LEU 118 HA LEU 118 -2.537 -4.518 6.898 850 HB2 LEU 118 2HB LEU 118 -4.328 -5.878 8.108 851 HB3 LEU 118 1HB LEU 118 -3.288 -4.877 9.122 852 HG LEU 118 HG LEU 118 -5.660 -3.458 8.130 853 HD11 LEU 118 1HD1 LEU 118 -6.685 -5.667 8.388 854 HD12 LEU 118 2HD1 LEU 118 -7.210 -4.612 9.702 855 HD13 LEU 118 3HD1 LEU 118 -5.970 -5.833 9.994 856 HD21 LEU 118 1HD2 LEU 118 -4.700 -3.981 10.955 857 HD22 LEU 118 2HD2 LEU 118 -5.695 -2.639 10.391 858 HD23 LEU 118 3HD2 LEU 118 -3.998 -2.740 9.919 859 H SER 119 H SER 119 -3.764 -6.337 5.856 860 HA SER 119 HA SER 119 -5.864 -5.303 4.041 861 HB2 SER 119 2HB SER 119 -3.549 -5.669 3.008 862 HB3 SER 119 1HB SER 119 -3.827 -7.389 3.268 863 HG SER 119 HG SER 119 -6.020 -6.444 2.195 864 H TYR 120 H TYR 120 -7.340 -6.916 3.218 865 HA TYR 120 HA TYR 120 -7.458 -9.407 4.788 866 HB2 TYR 120 2HB TYR 120 -8.996 -8.145 6.012 867 HB3 TYR 120 1HB TYR 120 -9.559 -7.269 4.587 868 HD1 TYR 120 1HD TYR 120 -11.213 -8.214 3.094 869 HD2 TYR 120 2HD TYR 120 -9.700 -10.481 6.414 870 HE1 TYR 120 1HE TYR 120 -13.029 -9.875 2.787 871 HE2 TYR 120 2HE TYR 120 -11.515 -12.142 6.107 872 HH TYR 120 HH TYR 120 -13.558 -12.134 3.315 873 H ARG 121 H ARG 121 -7.795 -11.123 3.529 874 HA ARG 121 HA ARG 121 -8.262 -10.800 0.708 875 HB2 ARG 121 2HB ARG 121 -8.466 -13.475 2.008 876 HB3 ARG 121 1HB ARG 121 -7.645 -13.004 0.518 877 HG2 ARG 121 2HG ARG 121 -6.051 -11.666 2.070 878 HG3 ARG 121 1HG ARG 121 -6.709 -12.670 3.364 879 HD2 ARG 121 2HD ARG 121 -5.323 -13.640 0.851 880 HD3 ARG 121 1HD ARG 121 -4.701 -13.730 2.497 881 HE ARG 121 HE ARG 121 -7.214 -15.055 2.323 882 HH11 ARG 121 1HH1 ARG 121 -7.209 -17.326 2.319 883 HH12 ARG 121 2HH1 ARG 121 -5.754 -18.182 1.927 884 HH21 ARG 121 1HH2 ARG 121 -3.880 -15.308 1.428 885 HH22 ARG 121 2HH2 ARG 121 -3.870 -17.040 1.423 886 H ILE 122 H ILE 122 -10.075 -11.301 -0.467 887 HA ILE 122 HA ILE 122 -12.569 -11.492 1.065 888 HB ILE 122 HB ILE 122 -12.305 -9.737 -0.694 889 HG12 ILE 122 2HG1 ILE 122 -14.409 -11.792 -1.426 890 HG13 ILE 122 1HG1 ILE 122 -14.528 -10.760 -0.000 891 HG21 ILE 122 1HG2 ILE 122 -12.151 -10.317 -2.994 892 HG22 ILE 122 2HG2 ILE 122 -12.515 -12.011 -2.672 893 HG23 ILE 122 3HG2 ILE 122 -10.957 -11.337 -2.193 894 HD11 ILE 122 1HD1 ILE 122 -14.115 -9.655 -2.786 895 HD12 ILE 122 2HD1 ILE 122 -14.577 -8.771 -1.332 896 HD13 ILE 122 3HD1 ILE 122 -15.714 -9.891 -2.081 897 H GLN 123 H GLN 123 -10.703 -13.199 -1.391 898 HA GLN 123 HA GLN 123 -12.576 -15.477 -1.166 899 HB2 GLN 123 2HB GLN 123 -11.235 -14.221 -3.478 900 HB3 GLN 123 1HB GLN 123 -11.199 -15.984 -3.457 901 HG2 GLN 123 2HG GLN 123 -13.639 -16.049 -3.179 902 HG3 GLN 123 1HG GLN 123 -13.693 -14.288 -3.141 903 HE21 GLN 123 1HE2 GLN 123 -11.432 -14.335 -5.283 904 HE22 GLN 123 2HE2 GLN 123 -12.273 -14.631 -6.727 905 HA PRO 124 HA PRO 124 -9.607 -18.254 0.535 906 HB2 PRO 124 2HB PRO 124 -9.617 -19.658 -2.113 907 HB3 PRO 124 1HB PRO 124 -9.762 -20.335 -0.479 908 HG2 PRO 124 2HG PRO 124 -11.880 -19.980 -2.107 909 HG3 PRO 124 1HG PRO 124 -11.988 -19.884 -0.344 910 HD2 PRO 124 2HD PRO 124 -12.251 -17.729 -2.320 911 HD3 PRO 124 1HD PRO 124 -12.689 -17.732 -0.599 Start of MODEL 12 1 H1 MET 1 1HT MET 1 -1.591 -22.523 -2.517 2 H2 MET 1 2HT MET 1 -1.982 -23.780 -3.592 3 H3 MET 1 3HT MET 1 -3.212 -22.962 -2.754 4 HA MET 1 HA MET 1 -1.645 -21.106 -4.197 5 HB2 MET 1 2HB MET 1 -2.454 -23.626 -5.572 6 HB3 MET 1 1HB MET 1 -2.731 -22.112 -6.435 7 HG2 MET 1 2HG MET 1 -0.493 -23.059 -6.940 8 HG3 MET 1 1HG MET 1 -0.375 -21.490 -6.145 9 HE1 MET 1 1HE MET 1 1.890 -24.254 -6.200 10 HE2 MET 1 2HE MET 1 2.696 -23.401 -4.887 11 HE3 MET 1 3HE MET 1 1.987 -22.489 -6.217 12 H GLN 2 H GLN 2 -4.108 -21.926 -2.465 13 HA GLN 2 HA GLN 2 -6.526 -21.489 -3.617 14 HB2 GLN 2 2HB GLN 2 -5.379 -20.581 -1.002 15 HB3 GLN 2 1HB GLN 2 -6.997 -20.057 -1.465 16 HG2 GLN 2 2HG GLN 2 -7.006 -22.172 -0.133 17 HG3 GLN 2 1HG GLN 2 -7.721 -22.365 -1.733 18 HE21 GLN 2 1HE2 GLN 2 -6.333 -23.418 -3.418 19 HE22 GLN 2 2HE2 GLN 2 -5.089 -24.467 -2.934 20 H ASP 3 H ASP 3 -4.134 -18.992 -2.818 21 HA ASP 3 HA ASP 3 -5.810 -16.943 -4.077 22 HB2 ASP 3 2HB ASP 3 -3.100 -16.582 -2.792 23 HB3 ASP 3 1HB ASP 3 -4.308 -15.344 -3.129 24 H GLY 4 H GLY 4 -5.643 -17.654 -6.254 25 HA2 GLY 4 2HA GLY 4 -2.956 -17.526 -7.458 26 HA3 GLY 4 1HA GLY 4 -4.378 -18.258 -8.198 27 HA PRO 5 HA PRO 5 -3.276 -13.869 -9.863 28 HB2 PRO 5 2HB PRO 5 -4.117 -15.464 -12.254 29 HB3 PRO 5 1HB PRO 5 -2.854 -14.227 -12.112 30 HG2 PRO 5 2HG PRO 5 -2.301 -16.856 -12.176 31 HG3 PRO 5 1HG PRO 5 -1.322 -15.690 -11.271 32 HD2 PRO 5 2HD PRO 5 -3.130 -17.785 -10.246 33 HD3 PRO 5 1HD PRO 5 -1.827 -16.914 -9.411 34 H GLY 6 H GLY 6 -4.859 -12.357 -10.004 35 HA2 GLY 6 2HA GLY 6 -6.960 -11.520 -10.766 36 HA3 GLY 6 1HA GLY 6 -7.572 -13.171 -10.799 37 H THR 7 H THR 7 -5.736 -12.473 -8.024 38 HA THR 7 HA THR 7 -8.103 -12.642 -6.354 39 HB THR 7 HB THR 7 -5.602 -12.049 -4.976 40 HG1 THR 7 1HG THR 7 -5.724 -14.018 -6.971 41 HG21 THR 7 1HG2 THR 7 -6.210 -14.099 -3.784 42 HG22 THR 7 2HG2 THR 7 -7.419 -14.474 -5.011 43 HG23 THR 7 3HG2 THR 7 -7.629 -13.068 -3.969 44 H LEU 8 H LEU 8 -8.858 -11.074 -4.950 45 HA LEU 8 HA LEU 8 -7.632 -8.400 -5.119 46 HB2 LEU 8 2HB LEU 8 -10.482 -8.127 -4.972 47 HB3 LEU 8 1HB LEU 8 -9.380 -7.516 -6.204 48 HG LEU 8 HG LEU 8 -9.441 -9.779 -7.297 49 HD11 LEU 8 1HD1 LEU 8 -10.650 -10.501 -4.854 50 HD12 LEU 8 2HD1 LEU 8 -10.434 -11.527 -6.273 51 HD13 LEU 8 3HD1 LEU 8 -11.927 -10.613 -6.065 52 HD21 LEU 8 1HD2 LEU 8 -12.208 -9.381 -7.536 53 HD22 LEU 8 2HD2 LEU 8 -10.953 -8.663 -8.545 54 HD23 LEU 8 3HD2 LEU 8 -11.556 -7.791 -7.136 55 H ASP 9 H ASP 9 -7.553 -7.345 -3.215 56 HA ASP 9 HA ASP 9 -9.261 -8.269 -1.004 57 HB2 ASP 9 2HB ASP 9 -6.443 -7.661 -0.312 58 HB3 ASP 9 1HB ASP 9 -7.545 -8.849 0.381 59 H VAL 10 H VAL 10 -9.452 -6.740 0.733 60 HA VAL 10 HA VAL 10 -8.982 -3.965 -0.163 61 HB VAL 10 HB VAL 10 -10.974 -5.130 1.794 62 HG11 VAL 10 1HG1 VAL 10 -10.555 -3.059 2.760 63 HG12 VAL 10 2HG1 VAL 10 -11.795 -2.623 1.585 64 HG13 VAL 10 3HG1 VAL 10 -10.094 -2.321 1.226 65 HG21 VAL 10 1HG2 VAL 10 -11.100 -5.026 -0.930 66 HG22 VAL 10 2HG2 VAL 10 -11.791 -3.458 -0.511 67 HG23 VAL 10 3HG2 VAL 10 -12.516 -4.937 0.118 68 H PHE 11 H PHE 11 -8.055 -2.455 1.241 69 HA PHE 11 HA PHE 11 -7.222 -3.253 3.898 70 HB2 PHE 11 2HB PHE 11 -4.933 -3.382 3.578 71 HB3 PHE 11 1HB PHE 11 -5.516 -4.121 2.086 72 HD1 PHE 11 1HD PHE 11 -3.626 -1.417 3.530 73 HD2 PHE 11 2HD PHE 11 -5.788 -2.627 0.021 74 HE1 PHE 11 1HE PHE 11 -2.476 0.343 2.215 75 HE2 PHE 11 2HE PHE 11 -4.638 -0.868 -1.293 76 HZ PHE 11 HZ PHE 11 -2.982 0.617 -0.197 77 H VAL 12 H VAL 12 -6.536 -1.531 5.175 78 HA VAL 12 HA VAL 12 -7.012 1.143 4.005 79 HB VAL 12 HB VAL 12 -7.412 1.798 6.430 80 HG11 VAL 12 1HG1 VAL 12 -9.603 0.096 6.293 81 HG12 VAL 12 2HG1 VAL 12 -9.091 0.232 4.611 82 HG13 VAL 12 3HG1 VAL 12 -9.487 1.683 5.532 83 HG21 VAL 12 1HG2 VAL 12 -7.673 -1.200 6.794 84 HG22 VAL 12 2HG2 VAL 12 -7.827 0.048 8.031 85 HG23 VAL 12 3HG2 VAL 12 -6.255 -0.287 7.308 86 H ALA 13 H ALA 13 -5.725 2.919 5.011 87 HA ALA 13 HA ALA 13 -3.251 2.182 6.305 88 HB1 ALA 13 1HB ALA 13 -2.312 3.752 4.201 89 HB2 ALA 13 2HB ALA 13 -3.396 2.593 3.431 90 HB3 ALA 13 3HB ALA 13 -2.048 2.021 4.413 91 H ALA 14 H ALA 14 -3.239 3.601 7.870 92 HA ALA 14 HA ALA 14 -3.618 6.457 7.238 93 HB1 ALA 14 1HB ALA 14 -5.630 5.261 8.402 94 HB2 ALA 14 2HB ALA 14 -5.081 6.818 9.020 95 HB3 ALA 14 3HB ALA 14 -4.610 5.329 9.839 96 H GLY 15 H GLY 15 -2.234 7.839 8.278 97 HA2 GLY 15 2HA GLY 15 -0.660 6.971 10.551 98 HA3 GLY 15 1HA GLY 15 0.260 7.141 9.060 99 H TRP 16 H TRP 16 1.493 8.853 9.892 100 HA TRP 16 HA TRP 16 0.228 11.453 9.631 101 HB2 TRP 16 2HB TRP 16 1.587 11.902 11.967 102 HB3 TRP 16 1HB TRP 16 -0.154 11.635 11.855 103 HD1 TRP 16 HD TRP 16 2.989 9.363 11.961 104 HE1 TRP 16 1HE TRP 16 2.482 7.376 13.525 105 HE3 TRP 16 3HE TRP 16 -1.805 10.498 13.304 106 HZ2 TRP 16 2HZ TRP 16 0.329 6.398 15.133 107 HZ3 TRP 16 3HZ TRP 16 -3.060 9.025 14.853 108 HH2 TRP 16 HH TRP 16 -2.000 6.978 15.767 109 H ASN 17 H ASN 17 1.868 13.218 9.810 110 HA ASN 17 HA ASN 17 4.540 12.269 8.956 111 HB2 ASN 17 2HB ASN 17 3.394 14.909 8.103 112 HB3 ASN 17 1HB ASN 17 4.645 13.937 7.330 113 HD21 ASN 17 1HD2 ASN 17 3.807 13.231 5.358 114 HD22 ASN 17 2HD2 ASN 17 2.255 12.578 5.146 115 H THR 18 H THR 18 6.340 13.480 9.635 116 HA THR 18 HA THR 18 6.416 14.368 12.231 117 HB THR 18 HB THR 18 8.151 15.576 10.078 118 HG1 THR 18 1HG THR 18 9.346 13.711 10.157 119 HG21 THR 18 1HG2 THR 18 8.280 16.290 12.532 120 HG22 THR 18 2HG2 THR 18 9.784 15.720 11.807 121 HG23 THR 18 3HG2 THR 18 8.859 14.658 12.869 122 H ASP 19 H ASP 19 5.537 16.172 9.349 123 HA ASP 19 HA ASP 19 5.620 18.776 10.419 124 HB2 ASP 19 2HB ASP 19 5.387 18.290 8.009 125 HB3 ASP 19 1HB ASP 19 3.765 17.668 8.300 126 H ASN 20 H ASN 20 3.863 16.232 11.517 127 HA ASN 20 HA ASN 20 2.200 16.117 13.114 128 HB2 ASN 20 2HB ASN 20 3.172 18.587 13.538 129 HB3 ASN 20 1HB ASN 20 1.557 19.012 12.977 130 HD21 ASN 20 1HD2 ASN 20 0.194 16.664 14.044 131 HD22 ASN 20 2HD2 ASN 20 0.205 16.804 15.735 132 H THR 21 H THR 21 1.756 15.900 10.258 133 HA THR 21 HA THR 21 -1.046 16.835 10.064 134 HB THR 21 HB THR 21 -0.039 15.976 7.534 135 HG1 THR 21 1HG THR 21 1.987 16.469 7.887 136 HG21 THR 21 1HG2 THR 21 -0.539 18.329 6.945 137 HG22 THR 21 2HG2 THR 21 -0.695 18.713 8.660 138 HG23 THR 21 3HG2 THR 21 -1.837 17.606 7.896 139 H ILE 22 H ILE 22 -2.632 15.369 9.697 140 HA ILE 22 HA ILE 22 -1.870 12.538 9.818 141 HB ILE 22 HB ILE 22 -4.594 13.834 10.089 142 HG12 ILE 22 2HG1 ILE 22 -3.566 12.624 12.487 143 HG13 ILE 22 1HG1 ILE 22 -2.380 13.778 11.875 144 HG21 ILE 22 1HG2 ILE 22 -3.558 11.018 10.463 145 HG22 ILE 22 2HG2 ILE 22 -4.884 11.559 9.435 146 HG23 ILE 22 3HG2 ILE 22 -5.067 11.572 11.189 147 HD11 ILE 22 1HD1 ILE 22 -3.975 14.901 13.374 148 HD12 ILE 22 2HD1 ILE 22 -5.318 14.350 12.372 149 HD13 ILE 22 3HD1 ILE 22 -4.150 15.503 11.724 150 H GLU 23 H GLU 23 -2.609 11.010 8.329 151 HA GLU 23 HA GLU 23 -3.895 12.040 5.884 152 HB2 GLU 23 2HB GLU 23 -1.365 11.897 5.642 153 HB3 GLU 23 1HB GLU 23 -1.542 10.149 5.802 154 HG2 GLU 23 2HG GLU 23 -3.283 10.327 3.915 155 HG3 GLU 23 1HG GLU 23 -2.642 11.946 3.640 156 H ILE 24 H ILE 24 -5.273 10.623 4.890 157 HA ILE 24 HA ILE 24 -5.463 7.888 5.985 158 HB ILE 24 HB ILE 24 -7.989 9.320 5.322 159 HG12 ILE 24 2HG1 ILE 24 -6.341 9.777 7.826 160 HG13 ILE 24 1HG1 ILE 24 -6.901 10.998 6.685 161 HG21 ILE 24 1HG2 ILE 24 -7.590 6.850 6.105 162 HG22 ILE 24 2HG2 ILE 24 -8.918 7.769 6.810 163 HG23 ILE 24 3HG2 ILE 24 -7.411 7.575 7.703 164 HD11 ILE 24 1HD1 ILE 24 -8.502 11.184 8.369 165 HD12 ILE 24 2HD1 ILE 24 -8.469 9.457 8.729 166 HD13 ILE 24 3HD1 ILE 24 -9.282 10.040 7.277 167 H THR 25 H THR 25 -5.594 6.379 4.444 168 HA THR 25 HA THR 25 -6.775 7.039 1.847 169 HB THR 25 HB THR 25 -4.569 7.524 1.248 170 HG1 THR 25 1HG THR 25 -3.838 5.258 0.432 171 HG21 THR 25 1HG2 THR 25 -3.748 5.206 3.018 172 HG22 THR 25 2HG2 THR 25 -3.504 6.920 3.354 173 HG23 THR 25 3HG2 THR 25 -2.638 6.150 2.027 174 H GLY 26 H GLY 26 -7.524 5.244 0.701 175 HA2 GLY 26 2HA GLY 26 -7.094 2.568 1.771 176 HA3 GLY 26 1HA GLY 26 -8.737 3.188 1.900 177 H GLY 27 H GLY 27 -7.931 0.902 0.373 178 HA2 GLY 27 2HA GLY 27 -9.326 1.341 -2.023 179 HA3 GLY 27 1HA GLY 27 -7.603 1.441 -2.376 180 H ALA 28 H ALA 28 -7.596 -0.439 -3.628 181 HA ALA 28 HA ALA 28 -7.763 -2.937 -2.066 182 HB1 ALA 28 1HB ALA 28 -8.733 -4.063 -4.051 183 HB2 ALA 28 2HB ALA 28 -8.839 -2.502 -4.863 184 HB3 ALA 28 3HB ALA 28 -9.795 -2.808 -3.413 185 H THR 29 H THR 29 -6.691 -4.774 -3.335 186 HA THR 29 HA THR 29 -4.366 -3.783 -4.865 187 HB THR 29 HB THR 29 -2.975 -5.476 -3.643 188 HG1 THR 29 1HG THR 29 -4.630 -5.535 -1.496 189 HG21 THR 29 1HG2 THR 29 -4.281 -3.370 -1.897 190 HG22 THR 29 2HG2 THR 29 -2.980 -3.062 -3.048 191 HG23 THR 29 3HG2 THR 29 -2.692 -4.094 -1.647 192 H TYR 30 H TYR 30 -3.660 -5.104 -6.501 193 HA TYR 30 HA TYR 30 -5.410 -7.389 -7.141 194 HB2 TYR 30 2HB TYR 30 -4.684 -5.233 -8.683 195 HB3 TYR 30 1HB TYR 30 -3.543 -6.471 -9.210 196 HD1 TYR 30 1HD TYR 30 -7.148 -5.684 -8.778 197 HD2 TYR 30 2HD TYR 30 -4.262 -8.374 -10.475 198 HE1 TYR 30 1HE TYR 30 -8.940 -6.770 -10.103 199 HE2 TYR 30 2HE TYR 30 -6.053 -9.461 -11.800 200 HH TYR 30 HH TYR 30 -8.223 -9.532 -12.244 201 H GLN 31 H GLN 31 -4.620 -9.365 -6.825 202 HA GLN 31 HA GLN 31 -1.717 -9.718 -6.547 203 HB2 GLN 31 2HB GLN 31 -3.726 -10.639 -4.987 204 HB3 GLN 31 1HB GLN 31 -3.538 -12.004 -6.089 205 HG2 GLN 31 2HG GLN 31 -0.998 -11.760 -5.619 206 HG3 GLN 31 1HG GLN 31 -1.498 -10.801 -4.228 207 HE21 GLN 31 1HE2 GLN 31 -0.661 -13.905 -5.041 208 HE22 GLN 31 2HE2 GLN 31 -1.550 -14.751 -3.869 209 H LEU 32 H LEU 32 -0.803 -9.994 -8.507 210 HA LEU 32 HA LEU 32 -2.126 -11.666 -10.514 211 HB2 LEU 32 2HB LEU 32 -0.264 -9.462 -10.563 212 HB3 LEU 32 1HB LEU 32 0.391 -10.832 -11.459 213 HG LEU 32 HG LEU 32 -2.414 -9.753 -11.842 214 HD11 LEU 32 1HD1 LEU 32 -1.402 -8.938 -14.048 215 HD12 LEU 32 2HD1 LEU 32 0.175 -9.195 -13.302 216 HD13 LEU 32 3HD1 LEU 32 -0.951 -8.030 -12.604 217 HD21 LEU 32 1HD2 LEU 32 -2.717 -11.562 -13.155 218 HD22 LEU 32 2HD2 LEU 32 -1.162 -12.178 -12.592 219 HD23 LEU 32 3HD2 LEU 32 -1.245 -11.196 -14.055 220 H SER 33 H SER 33 1.150 -11.414 -9.105 221 HA SER 33 HA SER 33 1.368 -14.137 -8.433 222 HB2 SER 33 2HB SER 33 1.704 -13.611 -11.222 223 HB3 SER 33 1HB SER 33 3.267 -14.064 -10.551 224 HG SER 33 HG SER 33 2.175 -15.930 -11.091 225 HA PRO 34 HA PRO 34 4.946 -13.052 -6.140 226 HB2 PRO 34 2HB PRO 34 6.568 -14.733 -8.016 227 HB3 PRO 34 1HB PRO 34 6.558 -14.716 -6.241 228 HG2 PRO 34 2HG PRO 34 5.296 -16.603 -7.694 229 HG3 PRO 34 1HG PRO 34 4.734 -16.066 -6.103 230 HD2 PRO 34 2HD PRO 34 3.505 -15.625 -8.735 231 HD3 PRO 34 1HD PRO 34 2.803 -15.411 -7.119 232 H TYR 35 H TYR 35 5.177 -12.928 -9.651 233 HA TYR 35 HA TYR 35 7.464 -11.510 -10.126 234 HB2 TYR 35 2HB TYR 35 4.756 -11.486 -11.392 235 HB3 TYR 35 1HB TYR 35 5.929 -10.264 -11.891 236 HD1 TYR 35 1HD TYR 35 5.398 -13.933 -11.523 237 HD2 TYR 35 2HD TYR 35 7.772 -10.818 -13.289 238 HE1 TYR 35 1HE TYR 35 6.552 -15.614 -12.936 239 HE2 TYR 35 2HE TYR 35 8.926 -12.499 -14.701 240 HH TYR 35 HH TYR 35 9.401 -14.998 -14.565 241 H ILE 36 H ILE 36 4.552 -9.566 -10.374 242 HA ILE 36 HA ILE 36 5.603 -7.691 -8.359 243 HB ILE 36 HB ILE 36 5.092 -5.802 -9.898 244 HG12 ILE 36 2HG1 ILE 36 4.767 -8.039 -11.926 245 HG13 ILE 36 1HG1 ILE 36 3.476 -6.991 -11.336 246 HG21 ILE 36 1HG2 ILE 36 7.121 -5.988 -11.151 247 HG22 ILE 36 2HG2 ILE 36 7.030 -7.748 -11.168 248 HG23 ILE 36 3HG2 ILE 36 7.387 -6.899 -9.664 249 HD11 ILE 36 1HD1 ILE 36 5.476 -5.219 -12.153 250 HD12 ILE 36 2HD1 ILE 36 3.989 -5.588 -13.028 251 HD13 ILE 36 3HD1 ILE 36 5.470 -6.473 -13.396 252 H MET 37 H MET 37 4.053 -6.513 -7.267 253 HA MET 37 HA MET 37 1.281 -7.432 -7.667 254 HB2 MET 37 2HB MET 37 2.680 -6.183 -5.294 255 HB3 MET 37 1HB MET 37 0.945 -6.493 -5.353 256 HG2 MET 37 2HG MET 37 1.261 -8.845 -5.503 257 HG3 MET 37 1HG MET 37 2.970 -8.667 -5.902 258 HE1 MET 37 1HE MET 37 2.165 -10.306 -2.246 259 HE2 MET 37 2HE MET 37 2.223 -10.680 -3.967 260 HE3 MET 37 3HE MET 37 0.787 -9.919 -3.286 261 H VAL 38 H VAL 38 -0.456 -5.901 -7.511 262 HA VAL 38 HA VAL 38 0.309 -3.223 -8.500 263 HB VAL 38 HB VAL 38 -2.457 -4.369 -8.714 264 HG11 VAL 38 1HG1 VAL 38 -1.566 -1.943 -9.319 265 HG12 VAL 38 2HG1 VAL 38 -2.733 -2.758 -10.360 266 HG13 VAL 38 3HG1 VAL 38 -1.023 -2.754 -10.788 267 HG21 VAL 38 1HG2 VAL 38 -0.031 -5.034 -10.395 268 HG22 VAL 38 2HG2 VAL 38 -1.673 -5.176 -11.024 269 HG23 VAL 38 3HG2 VAL 38 -1.171 -6.151 -9.643 270 H LYS 39 H LYS 39 -0.733 -1.380 -7.667 271 HA LYS 39 HA LYS 39 -2.409 -1.730 -5.283 272 HB2 LYS 39 2HB LYS 39 0.057 -1.535 -4.638 273 HB3 LYS 39 1HB LYS 39 -0.032 0.125 -5.230 274 HG2 LYS 39 2HG LYS 39 -2.268 0.013 -3.664 275 HG3 LYS 39 1HG LYS 39 -1.183 -1.064 -2.782 276 HD2 LYS 39 2HD LYS 39 -0.619 1.800 -3.599 277 HD3 LYS 39 1HD LYS 39 -0.855 1.197 -1.960 278 HE2 LYS 39 2HE LYS 39 1.410 1.021 -1.922 279 HE3 LYS 39 1HE LYS 39 1.147 -0.446 -2.864 280 HZ1 LYS 39 1HZ LYS 39 1.954 0.501 -4.698 281 HZ2 LYS 39 2HZ LYS 39 2.614 1.675 -3.663 282 HZ3 LYS 39 3HZ LYS 39 1.131 1.961 -4.439 283 H ALA 40 H ALA 40 -4.097 -0.399 -5.382 284 HA ALA 40 HA ALA 40 -3.791 2.236 -6.648 285 HB1 ALA 40 1HB ALA 40 -6.266 1.536 -7.548 286 HB2 ALA 40 2HB ALA 40 -5.421 -0.008 -7.658 287 HB3 ALA 40 3HB ALA 40 -4.792 1.404 -8.507 288 H GLY 41 H GLY 41 -4.743 3.787 -5.484 289 HA2 GLY 41 2HA GLY 41 -7.203 3.439 -4.073 290 HA3 GLY 41 1HA GLY 41 -5.830 3.424 -2.970 291 H TYR 42 H TYR 42 -7.600 5.389 -2.591 292 HA TYR 42 HA TYR 42 -6.355 7.791 -3.799 293 HB2 TYR 42 2HB TYR 42 -8.708 8.717 -2.825 294 HB3 TYR 42 1HB TYR 42 -8.500 8.134 -4.476 295 HD1 TYR 42 1HD TYR 42 -9.744 7.289 -1.103 296 HD2 TYR 42 2HD TYR 42 -9.370 5.979 -5.176 297 HE1 TYR 42 1HE TYR 42 -11.371 5.471 -0.666 298 HE2 TYR 42 2HE TYR 42 -11.000 4.159 -4.739 299 HH TYR 42 HH TYR 42 -11.925 2.917 -2.941 300 H GLY 43 H GLY 43 -6.390 9.721 -2.375 301 HA2 GLY 43 2HA GLY 43 -6.265 9.048 0.498 302 HA3 GLY 43 1HA GLY 43 -4.924 9.886 -0.274 303 H TRP 44 H TRP 44 -6.674 10.782 1.911 304 HA TRP 44 HA TRP 44 -7.171 13.444 0.949 305 HB2 TRP 44 2HB TRP 44 -9.623 13.378 1.653 306 HB3 TRP 44 1HB TRP 44 -9.230 12.589 0.125 307 HD1 TRP 44 HD TRP 44 -9.294 9.944 0.039 308 HE1 TRP 44 1HE TRP 44 -10.382 8.189 1.582 309 HE3 TRP 44 3HE TRP 44 -10.239 12.837 4.141 310 HZ2 TRP 44 2HZ TRP 44 -11.506 8.033 4.208 311 HZ3 TRP 44 3HZ TRP 44 -11.318 11.860 6.147 312 HH2 TRP 44 HH TRP 44 -11.951 9.463 6.185 313 H ASN 45 H ASN 45 -8.260 14.770 2.757 314 HA ASN 45 HA ASN 45 -7.922 13.715 5.440 315 HB2 ASN 45 2HB ASN 45 -6.263 15.372 6.125 316 HB3 ASN 45 1HB ASN 45 -5.618 14.366 4.828 317 HD21 ASN 45 1HD2 ASN 45 -5.927 15.356 2.533 318 HD22 ASN 45 2HD2 ASN 45 -5.752 17.038 2.400 319 H ASN 46 H ASN 46 -7.394 16.783 5.995 320 HA ASN 46 HA ASN 46 -10.232 17.403 6.303 321 HB2 ASN 46 2HB ASN 46 -8.726 17.760 8.210 322 HB3 ASN 46 1HB ASN 46 -7.767 18.886 7.249 323 HD21 ASN 46 1HD2 ASN 46 -8.899 19.886 9.586 324 HD22 ASN 46 2HD2 ASN 46 -10.193 20.917 9.212 325 H SER 47 H SER 47 -10.378 17.566 3.872 326 HA SER 47 HA SER 47 -10.456 20.325 3.125 327 HB2 SER 47 2HB SER 47 -8.611 18.705 1.398 328 HB3 SER 47 1HB SER 47 -8.780 20.455 1.507 329 HG SER 47 HG SER 47 -7.913 20.288 3.640 330 H SER 48 H SER 48 -10.048 19.449 0.239 331 HA SER 48 HA SER 48 -12.308 17.646 -0.173 332 HB2 SER 48 2HB SER 48 -12.336 20.335 -1.527 333 HB3 SER 48 1HB SER 48 -13.636 19.153 -1.408 334 HG SER 48 HG SER 48 -12.475 20.368 0.869 335 H LEU 49 H LEU 49 -9.317 17.935 -0.728 336 HA LEU 49 HA LEU 49 -9.221 17.971 -3.639 337 HB2 LEU 49 2HB LEU 49 -7.133 17.647 -1.484 338 HB3 LEU 49 1HB LEU 49 -6.762 17.445 -3.197 339 HG LEU 49 HG LEU 49 -8.265 19.897 -2.403 340 HD11 LEU 49 1HD1 LEU 49 -5.396 19.307 -1.694 341 HD12 LEU 49 2HD1 LEU 49 -6.643 20.064 -0.703 342 HD13 LEU 49 3HD1 LEU 49 -5.916 20.956 -2.041 343 HD21 LEU 49 1HD2 LEU 49 -7.413 19.075 -4.760 344 HD22 LEU 49 2HD2 LEU 49 -5.867 19.721 -4.208 345 HD23 LEU 49 3HD2 LEU 49 -7.273 20.779 -4.326 346 H ASN 50 H ASN 50 -8.906 16.220 -4.946 347 HA ASN 50 HA ASN 50 -9.254 13.581 -3.678 348 HB2 ASN 50 2HB ASN 50 -9.983 14.735 -6.339 349 HB3 ASN 50 1HB ASN 50 -9.690 13.002 -6.217 350 HD21 ASN 50 1HD2 ASN 50 -11.391 11.736 -5.409 351 HD22 ASN 50 2HD2 ASN 50 -12.782 12.366 -4.669 352 H ARG 51 H ARG 51 -7.438 12.456 -3.406 353 HA ARG 51 HA ARG 51 -5.190 12.890 -5.257 354 HB2 ARG 51 2HB ARG 51 -5.229 12.800 -2.522 355 HB3 ARG 51 1HB ARG 51 -4.764 11.147 -2.927 356 HG2 ARG 51 2HG ARG 51 -3.026 12.127 -4.492 357 HG3 ARG 51 1HG ARG 51 -3.393 13.704 -3.791 358 HD2 ARG 51 2HD ARG 51 -3.045 12.251 -1.528 359 HD3 ARG 51 1HD ARG 51 -1.947 11.401 -2.611 360 HE ARG 51 HE ARG 51 -0.594 13.309 -2.674 361 HH11 ARG 51 1HH1 ARG 51 0.025 15.343 -1.874 362 HH12 ARG 51 2HH1 ARG 51 -1.095 16.277 -0.938 363 HH21 ARG 51 1HH2 ARG 51 -3.631 13.919 -1.135 364 HH22 ARG 51 2HH2 ARG 51 -3.164 15.471 -0.519 365 H PHE 52 H PHE 52 -4.185 11.179 -6.316 366 HA PHE 52 HA PHE 52 -5.501 8.545 -6.161 367 HB2 PHE 52 2HB PHE 52 -6.089 10.233 -8.193 368 HB3 PHE 52 1HB PHE 52 -4.663 9.435 -8.857 369 HD1 PHE 52 1HD PHE 52 -8.162 9.056 -7.916 370 HD2 PHE 52 2HD PHE 52 -4.605 6.943 -9.068 371 HE1 PHE 52 1HE PHE 52 -9.522 7.050 -8.437 372 HE2 PHE 52 2HE PHE 52 -5.965 4.937 -9.590 373 HZ PHE 52 HZ PHE 52 -8.424 4.990 -9.274 374 H GLU 53 H GLU 53 -3.948 7.196 -5.529 375 HA GLU 53 HA GLU 53 -1.197 7.615 -6.507 376 HB2 GLU 53 2HB GLU 53 -2.096 5.807 -4.258 377 HB3 GLU 53 1HB GLU 53 -0.454 6.335 -4.624 378 HG2 GLU 53 2HG GLU 53 -1.072 8.660 -4.125 379 HG3 GLU 53 1HG GLU 53 -2.730 8.159 -3.796 380 H PHE 54 H PHE 54 -0.288 6.204 -7.876 381 HA PHE 54 HA PHE 54 -1.462 3.522 -8.165 382 HB2 PHE 54 2HB PHE 54 -2.339 3.993 -10.170 383 HB3 PHE 54 1HB PHE 54 -1.740 5.649 -10.068 384 HD1 PHE 54 1HD PHE 54 -0.682 2.165 -10.916 385 HD2 PHE 54 2HD PHE 54 0.043 6.368 -11.431 386 HE1 PHE 54 1HE PHE 54 1.021 1.660 -12.647 387 HE2 PHE 54 2HE PHE 54 1.745 5.863 -13.163 388 HZ PHE 54 HZ PHE 54 2.233 3.508 -13.771 389 H GLY 55 H GLY 55 0.030 1.957 -8.394 390 HA2 GLY 55 2HA GLY 55 2.487 2.135 -9.713 391 HA3 GLY 55 1HA GLY 55 2.781 2.510 -8.018 392 H GLY 56 H GLY 56 4.064 0.588 -7.866 393 HA2 GLY 56 2HA GLY 56 2.433 -1.793 -7.333 394 HA3 GLY 56 1HA GLY 56 3.783 -1.952 -8.454 395 H GLY 57 H GLY 57 3.917 -3.549 -6.343 396 HA2 GLY 57 2HA GLY 57 6.017 -2.319 -4.671 397 HA3 GLY 57 1HA GLY 57 4.740 -3.277 -3.929 398 H LEU 58 H LEU 58 7.514 -3.862 -3.749 399 HA LEU 58 HA LEU 58 7.754 -6.310 -5.395 400 HB2 LEU 58 2HB LEU 58 9.985 -4.919 -3.911 401 HB3 LEU 58 1HB LEU 58 10.119 -6.139 -5.176 402 HG LEU 58 HG LEU 58 9.001 -3.342 -5.524 403 HD11 LEU 58 1HD1 LEU 58 11.363 -3.157 -5.379 404 HD12 LEU 58 2HD1 LEU 58 11.028 -3.229 -7.110 405 HD13 LEU 58 3HD1 LEU 58 11.615 -4.662 -6.265 406 HD21 LEU 58 1HD2 LEU 58 9.223 -4.121 -8.006 407 HD22 LEU 58 2HD2 LEU 58 7.830 -4.670 -7.074 408 HD23 LEU 58 3HD2 LEU 58 9.201 -5.749 -7.326 409 H GLN 59 H GLN 59 8.430 -8.243 -4.400 410 HA GLN 59 HA GLN 59 8.424 -8.310 -1.460 411 HB2 GLN 59 2HB GLN 59 6.773 -9.990 -1.317 412 HB3 GLN 59 1HB GLN 59 6.109 -8.824 -2.462 413 HG2 GLN 59 2HG GLN 59 7.233 -10.271 -4.287 414 HG3 GLN 59 1HG GLN 59 7.363 -11.506 -3.036 415 HE21 GLN 59 1HE2 GLN 59 5.500 -12.735 -2.587 416 HE22 GLN 59 2HE2 GLN 59 3.969 -12.411 -3.246 417 H TYR 60 H TYR 60 9.182 -10.452 -0.629 418 HA TYR 60 HA TYR 60 11.029 -11.771 -2.531 419 HB2 TYR 60 2HB TYR 60 11.835 -10.152 -0.467 420 HB3 TYR 60 1HB TYR 60 11.878 -11.750 0.278 421 HD1 TYR 60 1HD TYR 60 13.788 -13.064 -0.015 422 HD2 TYR 60 2HD TYR 60 12.839 -10.049 -2.928 423 HE1 TYR 60 1HE TYR 60 15.894 -13.568 -1.223 424 HE2 TYR 60 2HE TYR 60 14.946 -10.555 -4.135 425 HH TYR 60 HH TYR 60 17.374 -11.706 -3.189 426 H LYS 61 H LYS 61 11.792 -13.925 -1.647 427 HA LYS 61 HA LYS 61 9.537 -15.309 -0.314 428 HB2 LYS 61 2HB LYS 61 11.370 -16.931 -1.954 429 HB3 LYS 61 1HB LYS 61 9.609 -16.959 -1.864 430 HG2 LYS 61 2HG LYS 61 9.577 -14.811 -3.176 431 HG3 LYS 61 1HG LYS 61 11.320 -14.980 -3.393 432 HD2 LYS 61 2HD LYS 61 10.907 -17.241 -4.410 433 HD3 LYS 61 1HD LYS 61 9.176 -16.906 -4.335 434 HE2 LYS 61 2HE LYS 61 11.156 -15.093 -5.738 435 HE3 LYS 61 1HE LYS 61 10.260 -16.370 -6.563 436 HZ1 LYS 61 1HZ LYS 61 8.197 -15.328 -5.762 437 HZ2 LYS 61 2HZ LYS 61 9.092 -14.305 -6.781 438 HZ3 LYS 61 3HZ LYS 61 9.105 -14.059 -5.100 439 H VAL 62 H VAL 62 9.984 -16.335 1.532 440 HA VAL 62 HA VAL 62 12.503 -17.587 2.065 441 HB VAL 62 HB VAL 62 13.367 -15.444 2.551 442 HG11 VAL 62 1HG1 VAL 62 11.806 -13.809 2.702 443 HG12 VAL 62 2HG1 VAL 62 11.754 -14.202 4.420 444 HG13 VAL 62 3HG1 VAL 62 10.581 -14.918 3.316 445 HG21 VAL 62 1HG2 VAL 62 13.438 -17.280 4.415 446 HG22 VAL 62 2HG2 VAL 62 12.315 -16.219 5.264 447 HG23 VAL 62 3HG2 VAL 62 13.919 -15.634 4.827 448 H THR 63 H THR 63 9.437 -16.327 3.275 449 HA THR 63 HA THR 63 9.134 -18.770 4.872 450 HB THR 63 HB THR 63 7.883 -16.836 6.411 451 HG1 THR 63 1HG THR 63 10.329 -15.865 5.366 452 HG21 THR 63 1HG2 THR 63 9.275 -18.738 7.204 453 HG22 THR 63 2HG2 THR 63 9.727 -17.225 7.988 454 HG23 THR 63 3HG2 THR 63 10.721 -17.875 6.684 455 HA PRO 64 HA PRO 64 5.036 -19.166 3.292 456 HB2 PRO 64 2HB PRO 64 3.964 -18.553 6.019 457 HB3 PRO 64 1HB PRO 64 3.553 -19.881 4.918 458 HG2 PRO 64 2HG PRO 64 5.144 -20.237 7.035 459 HG3 PRO 64 1HG PRO 64 5.376 -21.125 5.520 460 HD2 PRO 64 2HD PRO 64 7.019 -18.958 6.684 461 HD3 PRO 64 1HD PRO 64 7.469 -20.211 5.510 462 H ASP 65 H ASP 65 6.086 -16.304 4.850 463 HA ASP 65 HA ASP 65 4.892 -14.496 3.166 464 HB2 ASP 65 2HB ASP 65 3.073 -13.626 4.866 465 HB3 ASP 65 1HB ASP 65 2.679 -14.891 3.709 466 H LEU 66 H LEU 66 7.190 -14.046 3.904 467 HA LEU 66 HA LEU 66 7.108 -11.827 5.767 468 HB2 LEU 66 2HB LEU 66 7.837 -14.345 6.770 469 HB3 LEU 66 1HB LEU 66 9.358 -13.485 6.522 470 HG LEU 66 HG LEU 66 6.964 -12.400 8.035 471 HD11 LEU 66 1HD1 LEU 66 7.784 -13.573 9.774 472 HD12 LEU 66 2HD1 LEU 66 9.242 -12.585 9.680 473 HD13 LEU 66 3HD1 LEU 66 9.160 -14.120 8.814 474 HD21 LEU 66 1HD2 LEU 66 9.310 -10.974 8.639 475 HD22 LEU 66 2HD2 LEU 66 7.953 -10.402 7.669 476 HD23 LEU 66 3HD2 LEU 66 9.334 -11.170 6.886 477 H GLU 67 H GLU 67 7.942 -10.373 4.372 478 HA GLU 67 HA GLU 67 10.698 -10.622 3.595 479 HB2 GLU 67 2HB GLU 67 9.974 -10.263 1.086 480 HB3 GLU 67 1HB GLU 67 10.067 -11.890 1.757 481 HG2 GLU 67 2HG GLU 67 7.491 -10.399 2.047 482 HG3 GLU 67 1HG GLU 67 7.892 -11.040 0.458 483 HA PRO 68 HA PRO 68 10.309 -6.214 3.703 484 HB2 PRO 68 2HB PRO 68 12.167 -5.469 1.790 485 HB3 PRO 68 1HB PRO 68 12.568 -5.931 3.454 486 HG2 PRO 68 2HG PRO 68 12.739 -7.524 0.955 487 HG3 PRO 68 1HG PRO 68 13.809 -7.512 2.366 488 HD2 PRO 68 2HD PRO 68 11.992 -9.491 1.933 489 HD3 PRO 68 1HD PRO 68 12.473 -8.979 3.564 490 H TYR 69 H TYR 69 9.154 -4.586 2.671 491 HA TYR 69 HA TYR 69 8.188 -5.200 -0.061 492 HB2 TYR 69 2HB TYR 69 6.766 -4.555 2.399 493 HB3 TYR 69 1HB TYR 69 6.330 -3.484 1.066 494 HD1 TYR 69 1HD TYR 69 4.568 -4.197 -0.293 495 HD2 TYR 69 2HD TYR 69 7.091 -7.128 1.583 496 HE1 TYR 69 1HE TYR 69 3.210 -6.012 -1.297 497 HE2 TYR 69 2HE TYR 69 5.732 -8.941 0.577 498 HH TYR 69 HH TYR 69 4.117 -8.963 -1.726 499 H ALA 70 H ALA 70 8.456 -3.717 -1.589 500 HA ALA 70 HA ALA 70 9.491 -1.063 -0.784 501 HB1 ALA 70 1HB ALA 70 10.998 -2.562 -2.155 502 HB2 ALA 70 2HB ALA 70 10.669 -0.984 -2.869 503 HB3 ALA 70 3HB ALA 70 9.829 -2.415 -3.467 504 H TRP 71 H TRP 71 8.838 0.763 -2.105 505 HA TRP 71 HA TRP 71 6.301 0.374 -3.561 506 HB2 TRP 71 2HB TRP 71 6.688 2.732 -1.739 507 HB3 TRP 71 1HB TRP 71 5.189 2.063 -2.384 508 HD1 TRP 71 HD TRP 71 7.709 1.643 0.408 509 HE1 TRP 71 1HE TRP 71 6.820 -0.087 2.102 510 HE3 TRP 71 3HE TRP 71 3.663 -0.115 -2.167 511 HZ2 TRP 71 2HZ TRP 71 4.677 -1.966 2.332 512 HZ3 TRP 71 3HZ TRP 71 2.217 -1.872 -1.188 513 HH2 TRP 71 HH TRP 71 2.718 -2.800 1.056 514 H ALA 72 H ALA 72 6.127 1.531 -5.400 515 HA ALA 72 HA ALA 72 7.763 3.900 -5.835 516 HB1 ALA 72 1HB ALA 72 8.503 1.287 -6.874 517 HB2 ALA 72 2HB ALA 72 9.407 2.800 -6.901 518 HB3 ALA 72 3HB ALA 72 8.235 2.453 -8.171 519 H GLY 73 H GLY 73 6.632 5.340 -6.984 520 HA2 GLY 73 2HA GLY 73 5.144 4.898 -9.282 521 HA3 GLY 73 1HA GLY 73 4.014 4.748 -7.940 522 H ALA 74 H ALA 74 2.981 6.641 -8.934 523 HA ALA 74 HA ALA 74 4.092 9.111 -7.810 524 HB1 ALA 74 1HB ALA 74 3.921 10.355 -9.824 525 HB2 ALA 74 2HB ALA 74 3.055 9.057 -10.644 526 HB3 ALA 74 3HB ALA 74 4.768 8.873 -10.265 527 H THR 75 H THR 75 2.521 10.759 -7.483 528 HA THR 75 HA THR 75 -0.236 9.710 -7.358 529 HB THR 75 HB THR 75 -0.614 11.156 -5.522 530 HG1 THR 75 1HG THR 75 0.619 12.894 -6.665 531 HG21 THR 75 1HG2 THR 75 2.285 10.365 -5.194 532 HG22 THR 75 2HG2 THR 75 0.971 9.190 -5.152 533 HG23 THR 75 3HG2 THR 75 1.044 10.475 -3.946 534 H TYR 76 H TYR 76 -1.990 11.084 -7.932 535 HA TYR 76 HA TYR 76 -1.305 13.453 -9.539 536 HB2 TYR 76 2HB TYR 76 -1.535 11.835 -11.243 537 HB3 TYR 76 1HB TYR 76 -2.893 11.054 -10.434 538 HD1 TYR 76 1HD TYR 76 -5.137 11.987 -10.538 539 HD2 TYR 76 2HD TYR 76 -1.826 13.978 -12.416 540 HE1 TYR 76 1HE TYR 76 -6.716 13.445 -11.776 541 HE2 TYR 76 2HE TYR 76 -3.404 15.436 -13.654 542 HH TYR 76 HH TYR 76 -6.554 14.793 -14.076 543 H ASN 77 H ASN 77 -2.417 15.117 -8.761 544 HA ASN 77 HA ASN 77 -4.973 14.613 -7.384 545 HB2 ASN 77 2HB ASN 77 -2.902 15.974 -6.430 546 HB3 ASN 77 1HB ASN 77 -3.640 17.283 -7.353 547 HD21 ASN 77 1HD2 ASN 77 -4.845 18.515 -5.899 548 HD22 ASN 77 2HD2 ASN 77 -5.894 17.877 -4.727 549 H THR 78 H THR 78 -6.822 15.835 -7.872 550 HA THR 78 HA THR 78 -7.373 16.291 -10.565 551 HB THR 78 HB THR 78 -9.177 15.990 -8.998 552 HG1 THR 78 1HG THR 78 -10.005 18.422 -9.370 553 HG21 THR 78 1HG2 THR 78 -9.675 17.807 -7.327 554 HG22 THR 78 2HG2 THR 78 -8.111 18.518 -7.720 555 HG23 THR 78 3HG2 THR 78 -8.192 16.912 -6.998 556 H ASP 79 H ASP 79 -5.787 18.309 -8.249 557 HA ASP 79 HA ASP 79 -6.209 20.800 -9.620 558 HB2 ASP 79 2HB ASP 79 -5.251 20.052 -7.124 559 HB3 ASP 79 1HB ASP 79 -3.824 20.676 -7.950 560 H ASN 80 H ASN 80 -5.110 18.482 -11.154 561 HA ASN 80 HA ASN 80 -3.509 18.057 -12.750 562 HB2 ASN 80 2HB ASN 80 -4.425 20.254 -13.543 563 HB3 ASN 80 1HB ASN 80 -3.109 21.054 -12.684 564 HD21 ASN 80 1HD2 ASN 80 -3.767 18.708 -15.312 565 HD22 ASN 80 2HD2 ASN 80 -2.288 18.955 -16.110 566 H THR 81 H THR 81 -2.709 18.115 -9.907 567 HA THR 81 HA THR 81 0.123 18.911 -10.150 568 HB THR 81 HB THR 81 -1.731 18.562 -7.812 569 HG1 THR 81 1HG THR 81 0.201 20.519 -8.501 570 HG21 THR 81 1HG2 THR 81 1.264 18.269 -7.879 571 HG22 THR 81 2HG2 THR 81 0.077 17.295 -7.012 572 HG23 THR 81 3HG2 THR 81 0.461 18.923 -6.453 573 H LEU 82 H LEU 82 1.495 17.336 -10.628 574 HA LEU 82 HA LEU 82 1.026 14.646 -9.502 575 HB2 LEU 82 2HB LEU 82 1.851 13.665 -11.615 576 HB3 LEU 82 1HB LEU 82 0.371 14.594 -11.862 577 HG LEU 82 HG LEU 82 2.393 16.484 -12.161 578 HD11 LEU 82 1HD1 LEU 82 3.166 13.907 -13.563 579 HD12 LEU 82 2HD1 LEU 82 4.057 14.653 -12.237 580 HD13 LEU 82 3HD1 LEU 82 3.937 15.476 -13.793 581 HD21 LEU 82 1HD2 LEU 82 0.909 14.835 -14.233 582 HD22 LEU 82 2HD2 LEU 82 1.762 16.339 -14.578 583 HD23 LEU 82 3HD2 LEU 82 0.358 16.346 -13.509 584 H VAL 83 H VAL 83 2.773 13.724 -8.587 585 HA VAL 83 HA VAL 83 5.451 14.663 -9.273 586 HB VAL 83 HB VAL 83 5.683 14.673 -6.561 587 HG11 VAL 83 1HG1 VAL 83 6.529 16.392 -8.107 588 HG12 VAL 83 2HG1 VAL 83 5.663 17.145 -6.769 589 HG13 VAL 83 3HG1 VAL 83 4.891 16.996 -8.347 590 HG21 VAL 83 1HG2 VAL 83 3.125 14.408 -6.511 591 HG22 VAL 83 2HG2 VAL 83 3.056 16.065 -7.112 592 HG23 VAL 83 3HG2 VAL 83 3.802 15.724 -5.551 593 HA PRO 84 HA PRO 84 6.405 10.417 -8.506 594 HB2 PRO 84 2HB PRO 84 8.997 10.546 -7.645 595 HB3 PRO 84 1HB PRO 84 8.517 10.801 -9.335 596 HG2 PRO 84 2HG PRO 84 9.197 12.798 -7.237 597 HG3 PRO 84 1HG PRO 84 9.587 12.795 -8.966 598 HD2 PRO 84 2HD PRO 84 7.560 14.298 -7.897 599 HD3 PRO 84 1HD PRO 84 7.549 13.694 -9.568 600 H ALA 85 H ALA 85 6.955 8.832 -6.834 601 HA ALA 85 HA ALA 85 7.234 9.735 -4.093 602 HB1 ALA 85 1HB ALA 85 5.093 8.189 -3.623 603 HB2 ALA 85 2HB ALA 85 4.636 8.815 -5.207 604 HB3 ALA 85 3HB ALA 85 4.963 9.929 -3.880 605 H ALA 86 H ALA 86 8.052 8.150 -2.767 606 HA ALA 86 HA ALA 86 7.967 5.360 -3.486 607 HB1 ALA 86 1HB ALA 86 10.123 6.971 -4.478 608 HB2 ALA 86 2HB ALA 86 9.858 5.239 -4.677 609 HB3 ALA 86 3HB ALA 86 10.751 5.841 -3.280 610 H GLY 87 H GLY 87 9.506 4.101 -1.964 611 HA2 GLY 87 2HA GLY 87 10.549 5.120 0.392 612 HA3 GLY 87 1HA GLY 87 8.844 4.823 0.713 613 H ALA 88 H ALA 88 9.898 3.302 2.304 614 HA ALA 88 HA ALA 88 10.138 0.649 1.045 615 HB1 ALA 88 1HB ALA 88 11.832 0.915 3.398 616 HB2 ALA 88 2HB ALA 88 12.321 2.009 2.104 617 HB3 ALA 88 3HB ALA 88 12.221 0.274 1.803 618 H GLY 89 H GLY 89 9.538 -1.105 2.413 619 HA2 GLY 89 2HA GLY 89 8.455 -0.538 5.049 620 HA3 GLY 89 1HA GLY 89 7.259 -0.965 3.829 621 H PHE 90 H PHE 90 7.065 -2.704 5.628 622 HA PHE 90 HA PHE 90 8.514 -5.063 4.655 623 HB2 PHE 90 2HB PHE 90 8.162 -5.109 7.555 624 HB3 PHE 90 1HB PHE 90 9.579 -5.516 6.586 625 HD1 PHE 90 1HD PHE 90 7.930 -2.962 8.577 626 HD2 PHE 90 2HD PHE 90 11.086 -3.682 5.752 627 HE1 PHE 90 1HE PHE 90 8.974 -0.796 9.189 628 HE2 PHE 90 2HE PHE 90 12.128 -1.518 6.364 629 HZ PHE 90 HZ PHE 90 11.073 -0.074 8.084 630 H ARG 91 H ARG 91 7.375 -6.975 4.817 631 HA ARG 91 HA ARG 91 4.548 -6.702 5.644 632 HB2 ARG 91 2HB ARG 91 4.951 -7.119 3.212 633 HB3 ARG 91 1HB ARG 91 5.718 -8.647 3.644 634 HG2 ARG 91 2HG ARG 91 3.245 -8.555 5.033 635 HG3 ARG 91 1HG ARG 91 2.915 -8.067 3.371 636 HD2 ARG 91 2HD ARG 91 4.444 -10.554 4.183 637 HD3 ARG 91 1HD ARG 91 2.762 -10.527 3.664 638 HE ARG 91 HE ARG 91 4.337 -9.276 1.686 639 HH11 ARG 91 1HH1 ARG 91 4.876 -10.451 -0.182 640 HH12 ARG 91 2HH1 ARG 91 4.806 -12.180 -0.162 641 HH21 ARG 91 1HH2 ARG 91 3.767 -12.363 3.142 642 HH22 ARG 91 2HH2 ARG 91 4.179 -13.263 1.720 643 H TYR 92 H TYR 92 4.283 -7.575 7.592 644 HA TYR 92 HA TYR 92 5.699 -10.089 8.238 645 HB2 TYR 92 2HB TYR 92 5.160 -7.658 9.748 646 HB3 TYR 92 1HB TYR 92 4.600 -9.100 10.594 647 HD1 TYR 92 1HD TYR 92 7.559 -7.659 8.823 648 HD2 TYR 92 2HD TYR 92 6.126 -10.540 11.672 649 HE1 TYR 92 1HE TYR 92 9.896 -8.208 9.446 650 HE2 TYR 92 2HE TYR 92 8.464 -11.087 12.294 651 HH TYR 92 HH TYR 92 11.083 -10.301 10.469 652 H LYS 93 H LYS 93 4.549 -11.864 8.873 653 HA LYS 93 HA LYS 93 1.656 -11.753 8.424 654 HB2 LYS 93 2HB LYS 93 3.011 -13.504 7.296 655 HB3 LYS 93 1HB LYS 93 3.448 -14.150 8.877 656 HG2 LYS 93 2HG LYS 93 0.603 -13.813 8.790 657 HG3 LYS 93 1HG LYS 93 1.107 -14.704 7.354 658 HD2 LYS 93 2HD LYS 93 2.296 -16.329 8.721 659 HD3 LYS 93 1HD LYS 93 1.947 -15.404 10.181 660 HE2 LYS 93 2HE LYS 93 -0.219 -16.127 10.284 661 HE3 LYS 93 1HE LYS 93 -0.405 -16.140 8.530 662 HZ1 LYS 93 1HZ LYS 93 0.068 -18.305 10.194 663 HZ2 LYS 93 2HZ LYS 93 1.501 -18.069 9.310 664 HZ3 LYS 93 3HZ LYS 93 0.025 -18.297 8.498 665 H VAL 94 H VAL 94 0.552 -11.135 10.184 666 HA VAL 94 HA VAL 94 1.337 -12.218 12.812 667 HB VAL 94 HB VAL 94 -0.334 -9.838 12.000 668 HG11 VAL 94 1HG1 VAL 94 -0.440 -9.532 14.572 669 HG12 VAL 94 2HG1 VAL 94 -0.080 -11.256 14.652 670 HG13 VAL 94 3HG1 VAL 94 -1.543 -10.697 13.840 671 HG21 VAL 94 1HG2 VAL 94 1.496 -8.623 12.558 672 HG22 VAL 94 2HG2 VAL 94 2.381 -10.145 12.463 673 HG23 VAL 94 3HG2 VAL 94 1.778 -9.571 14.018 674 H SER 95 H SER 95 -1.240 -12.092 10.451 675 HA SER 95 HA SER 95 -2.633 -14.217 11.919 676 HB2 SER 95 2HB SER 95 -3.560 -11.531 11.775 677 HB3 SER 95 1HB SER 95 -4.612 -12.515 10.760 678 HG SER 95 HG SER 95 -3.994 -13.789 13.062 679 HA PRO 96 HA PRO 96 -3.159 -15.969 7.924 680 HB2 PRO 96 2HB PRO 96 -5.631 -17.124 8.061 681 HB3 PRO 96 1HB PRO 96 -4.214 -17.755 8.923 682 HG2 PRO 96 2HG PRO 96 -6.469 -16.105 9.944 683 HG3 PRO 96 1HG PRO 96 -5.615 -17.453 10.713 684 HD2 PRO 96 2HD PRO 96 -5.128 -14.823 11.324 685 HD3 PRO 96 1HD PRO 96 -3.909 -16.108 11.486 686 H GLU 97 H GLU 97 -6.209 -14.371 8.906 687 HA GLU 97 HA GLU 97 -6.708 -13.633 6.113 688 HB2 GLU 97 2HB GLU 97 -8.410 -14.541 8.015 689 HB3 GLU 97 1HB GLU 97 -8.618 -12.800 8.209 690 HG2 GLU 97 2HG GLU 97 -8.994 -12.613 5.748 691 HG3 GLU 97 1HG GLU 97 -8.908 -14.370 5.632 692 H VAL 98 H VAL 98 -5.019 -12.343 8.613 693 HA VAL 98 HA VAL 98 -5.487 -9.599 7.630 694 HB VAL 98 HB VAL 98 -4.808 -10.017 10.509 695 HG11 VAL 98 1HG1 VAL 98 -6.502 -7.996 9.008 696 HG12 VAL 98 2HG1 VAL 98 -4.818 -7.764 9.476 697 HG13 VAL 98 3HG1 VAL 98 -6.064 -7.915 10.715 698 HG21 VAL 98 1HG2 VAL 98 -6.687 -11.486 10.340 699 HG22 VAL 98 2HG2 VAL 98 -7.526 -10.397 9.233 700 HG23 VAL 98 3HG2 VAL 98 -7.335 -9.953 10.928 701 H LYS 99 H LYS 99 -3.676 -8.872 6.757 702 HA LYS 99 HA LYS 99 -1.088 -9.866 7.779 703 HB2 LYS 99 2HB LYS 99 -1.908 -8.733 5.100 704 HB3 LYS 99 1HB LYS 99 -0.223 -8.973 5.565 705 HG2 LYS 99 2HG LYS 99 -0.737 -11.379 6.018 706 HG3 LYS 99 1HG LYS 99 -2.369 -11.109 5.404 707 HD2 LYS 99 2HD LYS 99 -1.315 -10.272 3.256 708 HD3 LYS 99 1HD LYS 99 0.233 -10.843 3.879 709 HE2 LYS 99 2HE LYS 99 -1.150 -13.078 4.287 710 HE3 LYS 99 1HE LYS 99 -2.150 -12.418 2.995 711 HZ1 LYS 99 1HZ LYS 99 0.788 -12.826 2.864 712 HZ2 LYS 99 2HZ LYS 99 -0.186 -12.207 1.616 713 HZ3 LYS 99 3HZ LYS 99 -0.377 -13.815 2.128 714 H LEU 100 H LEU 100 0.462 -8.461 8.481 715 HA LEU 100 HA LEU 100 -0.401 -5.684 8.899 716 HB2 LEU 100 2HB LEU 100 0.866 -7.555 10.549 717 HB3 LEU 100 1HB LEU 100 2.123 -6.392 10.133 718 HG LEU 100 HG LEU 100 -0.617 -5.710 11.247 719 HD11 LEU 100 1HD1 LEU 100 0.998 -4.800 13.115 720 HD12 LEU 100 2HD1 LEU 100 2.127 -5.977 12.443 721 HD13 LEU 100 3HD1 LEU 100 0.577 -6.513 13.087 722 HD21 LEU 100 1HD2 LEU 100 -0.175 -3.739 10.194 723 HD22 LEU 100 2HD2 LEU 100 1.528 -4.134 9.965 724 HD23 LEU 100 3HD2 LEU 100 0.972 -3.488 11.508 725 H VAL 101 H VAL 101 0.611 -3.974 7.995 726 HA VAL 101 HA VAL 101 3.163 -4.408 6.590 727 HB VAL 101 HB VAL 101 2.416 -3.529 4.560 728 HG11 VAL 101 1HG1 VAL 101 0.605 -4.918 3.905 729 HG12 VAL 101 2HG1 VAL 101 -0.120 -4.866 5.513 730 HG13 VAL 101 3HG1 VAL 101 1.364 -5.780 5.245 731 HG21 VAL 101 1HG2 VAL 101 0.227 -2.337 6.246 732 HG22 VAL 101 2HG2 VAL 101 -0.009 -2.519 4.508 733 HG23 VAL 101 3HG2 VAL 101 1.320 -1.534 5.119 734 H VAL 102 H VAL 102 4.429 -2.523 6.334 735 HA VAL 102 HA VAL 102 3.467 -0.045 7.527 736 HB VAL 102 HB VAL 102 6.055 -1.308 8.449 737 HG11 VAL 102 1HG1 VAL 102 5.730 1.216 8.502 738 HG12 VAL 102 2HG1 VAL 102 6.072 0.469 10.062 739 HG13 VAL 102 3HG1 VAL 102 4.423 0.940 9.653 740 HG21 VAL 102 1HG2 VAL 102 3.307 -1.292 9.733 741 HG22 VAL 102 2HG2 VAL 102 4.791 -1.671 10.606 742 HG23 VAL 102 3HG2 VAL 102 4.262 -2.705 9.279 743 H GLU 103 H GLU 103 3.796 1.285 5.909 744 HA GLU 103 HA GLU 103 6.286 1.098 4.335 745 HB2 GLU 103 2HB GLU 103 4.491 0.911 2.834 746 HB3 GLU 103 1HB GLU 103 3.534 2.122 3.686 747 HG2 GLU 103 2HG GLU 103 4.815 3.906 2.852 748 HG3 GLU 103 1HG GLU 103 6.180 2.863 2.457 749 H TYR 104 H TYR 104 7.663 2.788 4.206 750 HA TYR 104 HA TYR 104 7.028 5.159 5.852 751 HB2 TYR 104 2HB TYR 104 9.583 3.707 5.244 752 HB3 TYR 104 1HB TYR 104 9.625 5.412 5.692 753 HD1 TYR 104 1HD TYR 104 9.260 6.113 7.941 754 HD2 TYR 104 2HD TYR 104 8.493 2.045 6.800 755 HE1 TYR 104 1HE TYR 104 8.993 5.495 10.328 756 HE2 TYR 104 2HE TYR 104 8.224 1.426 9.186 757 HH TYR 104 HH TYR 104 9.315 2.917 11.604 758 H GLY 105 H GLY 105 6.436 6.858 4.671 759 HA2 GLY 105 2HA GLY 105 6.844 7.118 1.887 760 HA3 GLY 105 1HA GLY 105 6.320 8.402 2.969 761 H TRP 106 H TRP 106 8.471 7.955 0.717 762 HA TRP 106 HA TRP 106 10.430 9.727 1.965 763 HB2 TRP 106 2HB TRP 106 10.950 6.986 1.755 764 HB3 TRP 106 1HB TRP 106 11.810 7.714 0.399 765 HD1 TRP 106 HD TRP 106 11.524 7.952 4.223 766 HE1 TRP 106 1HE TRP 106 13.697 8.994 5.141 767 HE3 TRP 106 3HE TRP 106 13.864 9.120 -0.163 768 HZ2 TRP 106 2HZ TRP 106 16.108 10.167 4.146 769 HZ3 TRP 106 3HZ TRP 106 16.095 10.198 -0.149 770 HH2 TRP 106 HH TRP 106 17.221 10.722 1.998 771 H ASN 107 H ASN 107 11.690 10.901 0.442 772 HA ASN 107 HA ASN 107 11.205 10.533 -2.396 773 HB2 ASN 107 2HB ASN 107 9.232 11.860 -1.484 774 HB3 ASN 107 1HB ASN 107 10.381 13.152 -1.144 775 HD21 ASN 107 1HD2 ASN 107 10.063 10.910 -3.958 776 HD22 ASN 107 2HD2 ASN 107 9.999 12.150 -5.115 777 H ASN 108 H ASN 108 12.403 12.202 -3.686 778 HA ASN 108 HA ASN 108 15.082 12.322 -2.989 779 HB2 ASN 108 2HB ASN 108 15.069 14.343 -4.654 780 HB3 ASN 108 1HB ASN 108 14.678 12.729 -5.241 781 HD21 ASN 108 1HD2 ASN 108 13.636 15.841 -5.525 782 HD22 ASN 108 2HD2 ASN 108 11.980 15.572 -5.779 783 H SER 109 H SER 109 15.595 13.091 -0.984 784 HA SER 109 HA SER 109 15.757 14.567 0.793 785 HB2 SER 109 2HB SER 109 16.339 16.206 -1.664 786 HB3 SER 109 1HB SER 109 16.467 16.896 -0.048 787 HG SER 109 HG SER 109 18.033 15.427 0.446 788 H SER 110 H SER 110 13.558 14.442 1.493 789 HA SER 110 HA SER 110 12.244 16.979 1.567 790 HB2 SER 110 2HB SER 110 10.906 16.779 -0.222 791 HB3 SER 110 1HB SER 110 11.491 15.147 -0.534 792 HG SER 110 HG SER 110 10.031 14.507 1.216 793 H LEU 111 H LEU 111 10.103 16.789 2.754 794 HA LEU 111 HA LEU 111 10.412 15.574 5.211 795 HB2 LEU 111 2HB LEU 111 7.707 15.949 3.924 796 HB3 LEU 111 1HB LEU 111 8.127 16.062 5.634 797 HG LEU 111 HG LEU 111 8.925 17.972 3.422 798 HD11 LEU 111 1HD1 LEU 111 7.354 19.375 4.279 799 HD12 LEU 111 2HD1 LEU 111 7.725 18.924 5.942 800 HD13 LEU 111 3HD1 LEU 111 6.664 17.906 4.971 801 HD21 LEU 111 1HD2 LEU 111 9.936 17.636 6.245 802 HD22 LEU 111 2HD2 LEU 111 9.978 19.208 5.446 803 HD23 LEU 111 3HD2 LEU 111 10.869 17.847 4.763 804 H GLN 112 H GLN 112 9.485 13.717 6.189 805 HA GLN 112 HA GLN 112 8.681 11.575 4.318 806 HB2 GLN 112 2HB GLN 112 9.948 10.140 6.203 807 HB3 GLN 112 1HB GLN 112 10.767 10.751 4.766 808 HG2 GLN 112 2HG GLN 112 11.761 12.529 5.928 809 HG3 GLN 112 1HG GLN 112 10.585 12.453 7.240 810 HE21 GLN 112 1HE2 GLN 112 13.638 11.202 6.096 811 HE22 GLN 112 2HE2 GLN 112 13.933 10.174 7.415 812 H PHE 113 H PHE 113 7.436 9.856 5.315 813 HA PHE 113 HA PHE 113 6.306 10.395 7.954 814 HB2 PHE 113 2HB PHE 113 3.964 10.131 6.947 815 HB3 PHE 113 1HB PHE 113 4.768 11.680 6.694 816 HD1 PHE 113 1HD PHE 113 3.300 8.794 5.111 817 HD2 PHE 113 2HD PHE 113 6.044 12.045 4.506 818 HE1 PHE 113 1HE PHE 113 3.120 8.489 2.657 819 HE2 PHE 113 2HE PHE 113 5.863 11.739 2.051 820 HZ PHE 113 HZ PHE 113 4.401 9.962 1.126 821 H LEU 114 H LEU 114 4.758 8.624 8.589 822 HA LEU 114 HA LEU 114 5.371 6.073 7.235 823 HB2 LEU 114 2HB LEU 114 5.752 4.984 9.371 824 HB3 LEU 114 1HB LEU 114 6.853 6.355 9.219 825 HG LEU 114 HG LEU 114 4.601 7.491 10.363 826 HD11 LEU 114 1HD1 LEU 114 5.128 4.837 11.730 827 HD12 LEU 114 2HD1 LEU 114 3.730 5.153 10.701 828 HD13 LEU 114 3HD1 LEU 114 3.942 6.057 12.200 829 HD21 LEU 114 1HD2 LEU 114 7.076 6.343 11.694 830 HD22 LEU 114 2HD2 LEU 114 6.003 7.539 12.421 831 HD23 LEU 114 3HD2 LEU 114 6.932 7.949 10.978 832 H GLN 115 H GLN 115 3.783 4.445 7.475 833 HA GLN 115 HA GLN 115 1.340 5.074 8.926 834 HB2 GLN 115 2HB GLN 115 0.006 4.610 6.764 835 HB3 GLN 115 1HB GLN 115 0.724 6.209 6.962 836 HG2 GLN 115 2HG GLN 115 2.586 5.629 5.545 837 HG3 GLN 115 1HG GLN 115 2.089 3.939 5.494 838 HE21 GLN 115 1HE2 GLN 115 -0.065 3.498 4.395 839 HE22 GLN 115 2HE2 GLN 115 -0.557 4.534 3.144 840 H ALA 116 H ALA 116 -0.022 3.292 9.221 841 HA ALA 116 HA ALA 116 1.143 0.685 8.440 842 HB1 ALA 116 1HB ALA 116 -0.359 1.421 10.965 843 HB2 ALA 116 2HB ALA 116 1.363 1.058 10.845 844 HB3 ALA 116 3HB ALA 116 0.171 -0.206 10.538 845 H GLY 117 H GLY 117 -0.210 -0.823 7.567 846 HA2 GLY 117 2HA GLY 117 -3.091 -0.182 7.435 847 HA3 GLY 117 1HA GLY 117 -2.200 -0.564 5.967 848 H LEU 118 H LEU 118 -4.416 -2.031 6.767 849 HA LEU 118 HA LEU 118 -3.177 -4.656 7.281 850 HB2 LEU 118 2HB LEU 118 -5.747 -3.670 8.547 851 HB3 LEU 118 1HB LEU 118 -5.065 -5.287 8.719 852 HG LEU 118 HG LEU 118 -2.923 -3.731 9.416 853 HD11 LEU 118 1HD1 LEU 118 -4.461 -1.721 9.269 854 HD12 LEU 118 2HD1 LEU 118 -3.670 -1.935 10.830 855 HD13 LEU 118 3HD1 LEU 118 -5.360 -2.401 10.626 856 HD21 LEU 118 1HD2 LEU 118 -3.574 -4.307 11.770 857 HD22 LEU 118 2HD2 LEU 118 -3.703 -5.673 10.661 858 HD23 LEU 118 3HD2 LEU 118 -5.155 -4.809 11.167 859 H SER 119 H SER 119 -3.758 -6.126 5.804 860 HA SER 119 HA SER 119 -5.959 -5.445 3.969 861 HB2 SER 119 2HB SER 119 -3.697 -5.866 3.013 862 HB3 SER 119 1HB SER 119 -3.775 -7.511 3.639 863 HG SER 119 HG SER 119 -5.696 -6.341 1.903 864 H TYR 120 H TYR 120 -7.518 -6.968 3.382 865 HA TYR 120 HA TYR 120 -7.730 -9.362 5.093 866 HB2 TYR 120 2HB TYR 120 -10.202 -7.834 4.397 867 HB3 TYR 120 1HB TYR 120 -9.882 -8.881 5.779 868 HD1 TYR 120 1HD TYR 120 -8.469 -8.073 7.667 869 HD2 TYR 120 2HD TYR 120 -9.648 -5.493 4.442 870 HE1 TYR 120 1HE TYR 120 -7.870 -6.091 9.032 871 HE2 TYR 120 2HE TYR 120 -9.047 -3.512 5.806 872 HH TYR 120 HH TYR 120 -8.715 -3.508 8.990 873 H ARG 121 H ARG 121 -8.107 -11.153 3.949 874 HA ARG 121 HA ARG 121 -8.408 -11.059 1.110 875 HB2 ARG 121 2HB ARG 121 -7.348 -12.894 2.680 876 HB3 ARG 121 1HB ARG 121 -8.990 -13.538 2.676 877 HG2 ARG 121 2HG ARG 121 -8.949 -13.450 0.165 878 HG3 ARG 121 1HG ARG 121 -7.246 -12.995 0.258 879 HD2 ARG 121 2HD ARG 121 -7.494 -15.425 -0.087 880 HD3 ARG 121 1HD ARG 121 -6.740 -15.075 1.466 881 HE ARG 121 HE ARG 121 -9.623 -15.378 1.581 882 HH11 ARG 121 1HH1 ARG 121 -10.354 -17.162 2.782 883 HH12 ARG 121 2HH1 ARG 121 -9.242 -18.412 3.229 884 HH21 ARG 121 1HH2 ARG 121 -6.519 -16.900 1.708 885 HH22 ARG 121 2HH2 ARG 121 -7.071 -18.264 2.621 886 H ILE 122 H ILE 122 -10.191 -11.200 -0.131 887 HA ILE 122 HA ILE 122 -12.789 -11.239 1.245 888 HB ILE 122 HB ILE 122 -12.097 -9.388 -0.397 889 HG12 ILE 122 2HG1 ILE 122 -14.644 -10.959 -0.912 890 HG13 ILE 122 1HG1 ILE 122 -14.420 -9.776 0.377 891 HG21 ILE 122 1HG2 ILE 122 -12.986 -11.328 -2.511 892 HG22 ILE 122 2HG2 ILE 122 -11.289 -11.285 -2.033 893 HG23 ILE 122 3HG2 ILE 122 -12.058 -9.839 -2.687 894 HD11 ILE 122 1HD1 ILE 122 -15.479 -8.558 -1.359 895 HD12 ILE 122 2HD1 ILE 122 -14.480 -9.307 -2.606 896 HD13 ILE 122 3HD1 ILE 122 -13.774 -8.127 -1.499 897 H GLN 123 H GLN 123 -10.835 -13.002 -1.046 898 HA GLN 123 HA GLN 123 -12.859 -15.132 -1.056 899 HB2 GLN 123 2HB GLN 123 -12.303 -15.513 -3.504 900 HB3 GLN 123 1HB GLN 123 -13.230 -14.053 -3.162 901 HG2 GLN 123 2HG GLN 123 -11.598 -12.753 -4.001 902 HG3 GLN 123 1HG GLN 123 -10.401 -13.505 -2.948 903 HE21 GLN 123 1HE2 GLN 123 -9.939 -15.966 -3.788 904 HE22 GLN 123 2HE2 GLN 123 -9.611 -16.059 -5.451 905 HA PRO 124 HA PRO 124 -9.283 -17.622 -0.207 906 HB2 PRO 124 2HB PRO 124 -10.083 -20.056 -1.177 907 HB3 PRO 124 1HB PRO 124 -10.680 -19.364 0.342 908 HG2 PRO 124 2HG PRO 124 -11.970 -19.449 -2.335 909 HG3 PRO 124 1HG PRO 124 -12.688 -19.647 -0.728 910 HD2 PRO 124 2HD PRO 124 -12.869 -17.322 -2.161 911 HD3 PRO 124 1HD PRO 124 -12.884 -17.372 -0.385 Start of MODEL 13 1 H1 MET 1 1HT MET 1 -8.204 -23.372 -1.655 2 H2 MET 1 2HT MET 1 -7.615 -21.848 -2.121 3 H3 MET 1 3HT MET 1 -7.303 -22.442 -0.561 4 HA MET 1 HA MET 1 -5.318 -22.927 -1.516 5 HB2 MET 1 2HB MET 1 -7.092 -25.250 -2.329 6 HB3 MET 1 1HB MET 1 -5.334 -25.311 -2.202 7 HG2 MET 1 2HG MET 1 -6.354 -24.191 0.221 8 HG3 MET 1 1HG MET 1 -7.258 -25.666 -0.123 9 HE1 MET 1 1HE MET 1 -6.410 -26.369 2.085 10 HE2 MET 1 2HE MET 1 -5.108 -25.238 2.441 11 HE3 MET 1 3HE MET 1 -4.787 -26.971 2.455 12 H GLN 2 H GLN 2 -6.078 -21.075 -3.204 13 HA GLN 2 HA GLN 2 -5.156 -22.048 -5.777 14 HB2 GLN 2 2HB GLN 2 -7.556 -22.449 -5.986 15 HB3 GLN 2 1HB GLN 2 -7.896 -20.790 -5.488 16 HG2 GLN 2 2HG GLN 2 -7.313 -19.921 -7.516 17 HG3 GLN 2 1HG GLN 2 -6.004 -21.077 -7.748 18 HE21 GLN 2 1HE2 GLN 2 -6.498 -22.108 -9.705 19 HE22 GLN 2 2HE2 GLN 2 -8.001 -22.809 -10.065 20 H ASP 3 H ASP 3 -7.108 -19.174 -5.166 21 HA ASP 3 HA ASP 3 -6.611 -16.948 -5.519 22 HB2 ASP 3 2HB ASP 3 -4.212 -17.801 -3.884 23 HB3 ASP 3 1HB ASP 3 -4.713 -16.134 -4.151 24 H GLY 4 H GLY 4 -6.282 -17.524 -7.849 25 HA2 GLY 4 2HA GLY 4 -3.468 -17.432 -8.701 26 HA3 GLY 4 1HA GLY 4 -4.840 -17.863 -9.718 27 HA PRO 5 HA PRO 5 -3.293 -13.444 -10.549 28 HB2 PRO 5 2HB PRO 5 -4.047 -14.453 -13.257 29 HB3 PRO 5 1HB PRO 5 -2.653 -13.474 -12.765 30 HG2 PRO 5 2HG PRO 5 -2.427 -16.077 -13.328 31 HG3 PRO 5 1HG PRO 5 -1.445 -15.291 -12.079 32 HD2 PRO 5 2HD PRO 5 -3.725 -17.175 -11.762 33 HD3 PRO 5 1HD PRO 5 -2.352 -16.867 -10.677 34 H GLY 6 H GLY 6 -4.660 -11.708 -10.765 35 HA2 GLY 6 2HA GLY 6 -6.598 -10.550 -11.443 36 HA3 GLY 6 1HA GLY 6 -7.356 -12.090 -11.836 37 H THR 7 H THR 7 -5.774 -12.103 -8.831 38 HA THR 7 HA THR 7 -8.165 -12.556 -7.377 39 HB THR 7 HB THR 7 -5.720 -11.650 -5.940 40 HG1 THR 7 1HG THR 7 -5.774 -14.228 -7.018 41 HG21 THR 7 1HG2 THR 7 -7.303 -14.196 -5.620 42 HG22 THR 7 2HG2 THR 7 -7.889 -12.667 -4.967 43 HG23 THR 7 3HG2 THR 7 -6.353 -13.332 -4.410 44 H LEU 8 H LEU 8 -8.958 -11.275 -5.562 45 HA LEU 8 HA LEU 8 -8.486 -8.373 -5.854 46 HB2 LEU 8 2HB LEU 8 -10.889 -9.800 -6.479 47 HB3 LEU 8 1HB LEU 8 -11.184 -8.789 -5.065 48 HG LEU 8 HG LEU 8 -10.218 -6.846 -6.281 49 HD11 LEU 8 1HD1 LEU 8 -10.372 -7.698 -8.954 50 HD12 LEU 8 2HD1 LEU 8 -9.460 -8.958 -8.123 51 HD13 LEU 8 3HD1 LEU 8 -8.908 -7.284 -8.061 52 HD21 LEU 8 1HD2 LEU 8 -12.089 -6.771 -8.071 53 HD22 LEU 8 2HD2 LEU 8 -12.581 -6.960 -6.387 54 HD23 LEU 8 3HD2 LEU 8 -12.549 -8.359 -7.460 55 H ASP 9 H ASP 9 -7.969 -7.445 -3.983 56 HA ASP 9 HA ASP 9 -9.052 -8.545 -1.480 57 HB2 ASP 9 2HB ASP 9 -7.013 -9.575 -1.259 58 HB3 ASP 9 1HB ASP 9 -6.186 -8.396 -2.275 59 H VAL 10 H VAL 10 -9.237 -7.049 0.198 60 HA VAL 10 HA VAL 10 -9.001 -4.234 -0.653 61 HB VAL 10 HB VAL 10 -11.243 -5.193 0.090 62 HG11 VAL 10 1HG1 VAL 10 -9.913 -6.354 2.087 63 HG12 VAL 10 2HG1 VAL 10 -11.586 -5.835 2.286 64 HG13 VAL 10 3HG1 VAL 10 -10.273 -4.830 2.897 65 HG21 VAL 10 1HG2 VAL 10 -10.098 -2.877 1.688 66 HG22 VAL 10 2HG2 VAL 10 -11.806 -3.166 1.358 67 HG23 VAL 10 3HG2 VAL 10 -10.710 -2.760 0.038 68 H PHE 11 H PHE 11 -7.857 -2.757 0.547 69 HA PHE 11 HA PHE 11 -6.704 -3.545 3.105 70 HB2 PHE 11 2HB PHE 11 -4.524 -3.711 2.473 71 HB3 PHE 11 1HB PHE 11 -5.234 -4.171 0.926 72 HD1 PHE 11 1HD PHE 11 -5.859 -2.176 -0.680 73 HD2 PHE 11 2HD PHE 11 -3.037 -1.904 2.551 74 HE1 PHE 11 1HE PHE 11 -4.825 -0.190 -1.748 75 HE2 PHE 11 2HE PHE 11 -2.005 0.082 1.482 76 HZ PHE 11 HZ PHE 11 -2.898 0.938 -0.668 77 H VAL 12 H VAL 12 -6.210 -1.833 4.396 78 HA VAL 12 HA VAL 12 -6.785 0.852 3.297 79 HB VAL 12 HB VAL 12 -7.362 1.493 5.588 80 HG11 VAL 12 1HG1 VAL 12 -8.874 -0.018 3.921 81 HG12 VAL 12 2HG1 VAL 12 -9.458 0.579 5.475 82 HG13 VAL 12 3HG1 VAL 12 -8.844 -1.069 5.339 83 HG21 VAL 12 1HG2 VAL 12 -6.310 0.319 7.218 84 HG22 VAL 12 2HG2 VAL 12 -6.031 -1.060 6.155 85 HG23 VAL 12 3HG2 VAL 12 -7.574 -0.890 6.990 86 H ALA 13 H ALA 13 -5.536 2.643 4.292 87 HA ALA 13 HA ALA 13 -3.027 1.979 5.558 88 HB1 ALA 13 1HB ALA 13 -2.058 1.688 3.494 89 HB2 ALA 13 2HB ALA 13 -1.921 3.443 3.619 90 HB3 ALA 13 3HB ALA 13 -3.229 2.723 2.679 91 H ALA 14 H ALA 14 -3.041 3.393 7.127 92 HA ALA 14 HA ALA 14 -3.755 6.207 6.552 93 HB1 ALA 14 1HB ALA 14 -5.414 5.790 8.050 94 HB2 ALA 14 2HB ALA 14 -4.126 6.009 9.234 95 HB3 ALA 14 3HB ALA 14 -4.587 4.385 8.725 96 H GLY 15 H GLY 15 -2.162 7.629 6.865 97 HA2 GLY 15 2HA GLY 15 -0.054 7.015 8.829 98 HA3 GLY 15 1HA GLY 15 0.405 7.415 7.177 99 H TRP 16 H TRP 16 1.569 9.105 8.578 100 HA TRP 16 HA TRP 16 0.086 11.589 8.327 101 HB2 TRP 16 2HB TRP 16 1.142 11.995 10.822 102 HB3 TRP 16 1HB TRP 16 -0.543 11.583 10.501 103 HD1 TRP 16 HD TRP 16 -1.293 9.054 10.859 104 HE1 TRP 16 1HE TRP 16 -0.257 7.134 12.231 105 HE3 TRP 16 3HE TRP 16 3.380 10.957 11.644 106 HZ2 TRP 16 2HZ TRP 16 2.229 6.490 13.495 107 HZ3 TRP 16 3HZ TRP 16 5.060 9.671 12.934 108 HH2 TRP 16 HH TRP 16 4.491 7.443 13.860 109 H ASN 17 H ASN 17 1.455 13.454 8.425 110 HA ASN 17 HA ASN 17 4.271 12.807 7.837 111 HB2 ASN 17 2HB ASN 17 2.538 14.230 6.335 112 HB3 ASN 17 1HB ASN 17 3.219 15.529 7.313 113 HD21 ASN 17 1HD2 ASN 17 3.658 14.805 4.372 114 HD22 ASN 17 2HD2 ASN 17 5.343 14.675 4.221 115 H THR 18 H THR 18 5.954 13.956 8.807 116 HA THR 18 HA THR 18 5.826 14.500 11.496 117 HB THR 18 HB THR 18 7.965 14.287 10.430 118 HG1 THR 18 1HG THR 18 7.648 16.988 11.227 119 HG21 THR 18 1HG2 THR 18 7.247 16.816 8.922 120 HG22 THR 18 2HG2 THR 18 7.310 15.195 8.231 121 HG23 THR 18 3HG2 THR 18 8.786 15.960 8.821 122 H ASP 19 H ASP 19 4.512 16.354 8.967 123 HA ASP 19 HA ASP 19 4.624 18.922 10.261 124 HB2 ASP 19 2HB ASP 19 4.426 18.633 7.791 125 HB3 ASP 19 1HB ASP 19 2.799 17.996 8.032 126 H ASN 20 H ASN 20 3.141 16.243 11.235 127 HA ASN 20 HA ASN 20 1.465 15.867 12.772 128 HB2 ASN 20 2HB ASN 20 2.167 18.470 13.245 129 HB3 ASN 20 1HB ASN 20 0.454 18.627 12.857 130 HD21 ASN 20 1HD2 ASN 20 -0.303 15.972 13.893 131 HD22 ASN 20 2HD2 ASN 20 -0.178 16.062 15.584 132 H THR 21 H THR 21 1.100 16.043 9.797 133 HA THR 21 HA THR 21 -1.770 16.689 9.653 134 HB THR 21 HB THR 21 0.249 16.179 7.457 135 HG1 THR 21 1HG THR 21 0.210 18.345 7.213 136 HG21 THR 21 1HG2 THR 21 -2.705 16.805 7.437 137 HG22 THR 21 2HG2 THR 21 -1.865 15.483 6.624 138 HG23 THR 21 3HG2 THR 21 -1.668 17.139 6.051 139 H ILE 22 H ILE 22 -3.282 15.154 9.282 140 HA ILE 22 HA ILE 22 -2.354 12.358 9.223 141 HB ILE 22 HB ILE 22 -3.837 12.829 11.063 142 HG12 ILE 22 2HG1 ILE 22 -5.687 11.558 9.064 143 HG13 ILE 22 1HG1 ILE 22 -4.167 10.756 9.463 144 HG21 ILE 22 1HG2 ILE 22 -5.359 14.474 10.872 145 HG22 ILE 22 2HG2 ILE 22 -6.285 13.465 9.761 146 HG23 ILE 22 3HG2 ILE 22 -5.064 14.572 9.136 147 HD11 ILE 22 1HD1 ILE 22 -6.072 10.013 10.908 148 HD12 ILE 22 2HD1 ILE 22 -6.209 11.665 11.512 149 HD13 ILE 22 3HD1 ILE 22 -4.747 10.730 11.826 150 H GLU 23 H GLU 23 -2.898 10.978 7.597 151 HA GLU 23 HA GLU 23 -4.699 11.958 5.480 152 HB2 GLU 23 2HB GLU 23 -2.251 10.482 4.643 153 HB3 GLU 23 1HB GLU 23 -3.165 11.725 3.789 154 HG2 GLU 23 2HG GLU 23 -2.314 13.400 5.459 155 HG3 GLU 23 1HG GLU 23 -1.280 12.137 6.124 156 H ILE 24 H ILE 24 -6.200 10.490 5.036 157 HA ILE 24 HA ILE 24 -5.713 7.685 5.807 158 HB ILE 24 HB ILE 24 -7.673 8.761 6.833 159 HG12 ILE 24 2HG1 ILE 24 -8.664 6.835 4.727 160 HG13 ILE 24 1HG1 ILE 24 -7.613 6.300 6.040 161 HG21 ILE 24 1HG2 ILE 24 -8.830 8.958 4.048 162 HG22 ILE 24 2HG2 ILE 24 -7.999 10.314 4.811 163 HG23 ILE 24 3HG2 ILE 24 -9.463 9.651 5.541 164 HD11 ILE 24 1HD1 ILE 24 -9.890 7.975 6.893 165 HD12 ILE 24 2HD1 ILE 24 -9.260 6.487 7.600 166 HD13 ILE 24 3HD1 ILE 24 -10.342 6.414 6.209 167 H THR 25 H THR 25 -5.674 6.096 4.318 168 HA THR 25 HA THR 25 -6.614 6.680 1.590 169 HB THR 25 HB THR 25 -4.608 5.909 0.579 170 HG1 THR 25 1HG THR 25 -2.887 5.154 1.988 171 HG21 THR 25 1HG2 THR 25 -3.485 7.438 2.908 172 HG22 THR 25 2HG2 THR 25 -4.640 8.215 1.825 173 HG23 THR 25 3HG2 THR 25 -3.115 7.597 1.192 174 H GLY 26 H GLY 26 -7.448 4.938 0.497 175 HA2 GLY 26 2HA GLY 26 -7.102 2.230 1.424 176 HA3 GLY 26 1HA GLY 26 -8.696 2.886 1.785 177 H GLY 27 H GLY 27 -7.920 0.701 -0.042 178 HA2 GLY 27 2HA GLY 27 -9.644 1.337 -2.211 179 HA3 GLY 27 1HA GLY 27 -7.965 1.389 -2.738 180 H ALA 28 H ALA 28 -8.173 -0.407 -4.091 181 HA ALA 28 HA ALA 28 -8.401 -2.996 -2.678 182 HB1 ALA 28 1HB ALA 28 -10.421 -2.687 -3.992 183 HB2 ALA 28 2HB ALA 28 -9.416 -3.918 -4.755 184 HB3 ALA 28 3HB ALA 28 -9.467 -2.284 -5.418 185 H THR 29 H THR 29 -7.157 -4.716 -3.568 186 HA THR 29 HA THR 29 -4.820 -3.779 -5.119 187 HB THR 29 HB THR 29 -4.042 -6.159 -4.034 188 HG1 THR 29 1HG THR 29 -5.965 -4.935 -2.379 189 HG21 THR 29 1HG2 THR 29 -2.960 -4.686 -2.261 190 HG22 THR 29 2HG2 THR 29 -3.873 -3.342 -2.947 191 HG23 THR 29 3HG2 THR 29 -2.683 -4.194 -3.931 192 H TYR 30 H TYR 30 -3.918 -5.214 -6.686 193 HA TYR 30 HA TYR 30 -5.784 -7.279 -7.686 194 HB2 TYR 30 2HB TYR 30 -4.676 -4.907 -9.049 195 HB3 TYR 30 1HB TYR 30 -4.565 -6.413 -9.960 196 HD1 TYR 30 1HD TYR 30 -6.980 -4.381 -7.942 197 HD2 TYR 30 2HD TYR 30 -6.436 -7.213 -11.126 198 HE1 TYR 30 1HE TYR 30 -9.393 -4.227 -8.494 199 HE2 TYR 30 2HE TYR 30 -8.849 -7.058 -11.677 200 HH TYR 30 HH TYR 30 -11.057 -5.073 -9.716 201 H GLN 31 H GLN 31 -4.779 -9.165 -7.365 202 HA GLN 31 HA GLN 31 -1.875 -9.347 -7.478 203 HB2 GLN 31 2HB GLN 31 -3.484 -10.560 -5.817 204 HB3 GLN 31 1HB GLN 31 -3.708 -11.700 -7.146 205 HG2 GLN 31 2HG GLN 31 -1.023 -11.514 -7.194 206 HG3 GLN 31 1HG GLN 31 -1.296 -11.177 -5.485 207 HE21 GLN 31 1HE2 GLN 31 -1.617 -12.979 -4.155 208 HE22 GLN 31 2HE2 GLN 31 -1.966 -14.541 -4.719 209 H LEU 32 H LEU 32 -1.030 -9.377 -9.476 210 HA LEU 32 HA LEU 32 -2.400 -10.864 -11.606 211 HB2 LEU 32 2HB LEU 32 -0.393 -8.672 -11.507 212 HB3 LEU 32 1HB LEU 32 -0.292 -9.791 -12.867 213 HG LEU 32 HG LEU 32 -2.956 -8.638 -12.088 214 HD11 LEU 32 1HD1 LEU 32 -0.761 -7.280 -13.667 215 HD12 LEU 32 2HD1 LEU 32 -1.644 -6.646 -12.280 216 HD13 LEU 32 3HD1 LEU 32 -2.460 -6.839 -13.832 217 HD21 LEU 32 1HD2 LEU 32 -2.025 -9.042 -14.891 218 HD22 LEU 32 2HD2 LEU 32 -3.602 -9.366 -14.174 219 HD23 LEU 32 3HD2 LEU 32 -2.270 -10.492 -13.918 220 H SER 33 H SER 33 0.549 -10.839 -9.698 221 HA SER 33 HA SER 33 1.052 -13.604 -10.346 222 HB2 SER 33 2HB SER 33 2.547 -13.307 -11.988 223 HB3 SER 33 1HB SER 33 2.339 -11.561 -11.885 224 HG SER 33 HG SER 33 3.801 -11.744 -10.000 225 HA PRO 34 HA PRO 34 2.926 -13.498 -6.371 226 HB2 PRO 34 2HB PRO 34 4.979 -15.298 -6.606 227 HB3 PRO 34 1HB PRO 34 3.272 -15.768 -6.511 228 HG2 PRO 34 2HG PRO 34 5.050 -15.566 -8.885 229 HG3 PRO 34 1HG PRO 34 3.794 -16.758 -8.509 230 HD2 PRO 34 2HD PRO 34 3.410 -14.683 -10.259 231 HD3 PRO 34 1HD PRO 34 2.095 -15.424 -9.321 232 H TYR 35 H TYR 35 4.596 -12.377 -9.069 233 HA TYR 35 HA TYR 35 7.057 -11.684 -7.671 234 HB2 TYR 35 2HB TYR 35 6.051 -11.318 -10.485 235 HB3 TYR 35 1HB TYR 35 7.493 -10.475 -9.914 236 HD1 TYR 35 1HD TYR 35 9.508 -11.715 -9.260 237 HD2 TYR 35 2HD TYR 35 6.024 -13.738 -10.747 238 HE1 TYR 35 1HE TYR 35 10.850 -13.773 -9.603 239 HE2 TYR 35 2HE TYR 35 7.364 -15.796 -11.090 240 HH TYR 35 HH TYR 35 9.978 -16.534 -9.724 241 H ILE 36 H ILE 36 5.368 -9.510 -9.853 242 HA ILE 36 HA ILE 36 5.567 -7.393 -7.836 243 HB ILE 36 HB ILE 36 4.931 -7.310 -10.794 244 HG12 ILE 36 2HG1 ILE 36 7.320 -6.113 -9.404 245 HG13 ILE 36 1HG1 ILE 36 7.321 -7.818 -9.856 246 HG21 ILE 36 1HG2 ILE 36 3.782 -5.466 -9.821 247 HG22 ILE 36 2HG2 ILE 36 5.313 -4.804 -10.394 248 HG23 ILE 36 3HG2 ILE 36 5.091 -5.156 -8.680 249 HD11 ILE 36 1HD1 ILE 36 6.466 -5.832 -11.918 250 HD12 ILE 36 2HD1 ILE 36 7.321 -7.361 -12.120 251 HD13 ILE 36 3HD1 ILE 36 8.185 -5.937 -11.540 252 H MET 37 H MET 37 3.813 -6.129 -7.197 253 HA MET 37 HA MET 37 1.139 -7.247 -7.809 254 HB2 MET 37 2HB MET 37 2.339 -6.358 -5.198 255 HB3 MET 37 1HB MET 37 0.592 -6.348 -5.443 256 HG2 MET 37 2HG MET 37 0.524 -8.693 -5.821 257 HG3 MET 37 1HG MET 37 2.270 -8.787 -6.043 258 HE1 MET 37 1HE MET 37 -0.508 -9.583 -3.768 259 HE2 MET 37 2HE MET 37 0.536 -10.393 -2.602 260 HE3 MET 37 3HE MET 37 0.723 -10.727 -4.321 261 H VAL 38 H VAL 38 -0.619 -5.738 -7.749 262 HA VAL 38 HA VAL 38 0.234 -2.984 -8.395 263 HB VAL 38 HB VAL 38 -2.458 -4.143 -9.066 264 HG11 VAL 38 1HG1 VAL 38 -2.505 -2.424 -10.693 265 HG12 VAL 38 2HG1 VAL 38 -0.759 -2.189 -10.618 266 HG13 VAL 38 3HG1 VAL 38 -1.778 -1.657 -9.280 267 HG21 VAL 38 1HG2 VAL 38 0.204 -4.695 -10.333 268 HG22 VAL 38 2HG2 VAL 38 -1.209 -4.522 -11.373 269 HG23 VAL 38 3HG2 VAL 38 -1.178 -5.769 -10.127 270 H LYS 39 H LYS 39 -0.925 -1.220 -7.550 271 HA LYS 39 HA LYS 39 -2.879 -1.774 -5.430 272 HB2 LYS 39 2HB LYS 39 -0.203 -0.472 -5.077 273 HB3 LYS 39 1HB LYS 39 -1.564 0.062 -4.090 274 HG2 LYS 39 2HG LYS 39 -1.879 -2.123 -3.172 275 HG3 LYS 39 1HG LYS 39 -0.801 -2.853 -4.363 276 HD2 LYS 39 2HD LYS 39 1.123 -1.763 -3.398 277 HD3 LYS 39 1HD LYS 39 0.103 -0.794 -2.334 278 HE2 LYS 39 2HE LYS 39 1.048 -2.660 -1.070 279 HE3 LYS 39 1HE LYS 39 -0.693 -2.887 -1.243 280 HZ1 LYS 39 1HZ LYS 39 1.178 -4.717 -1.889 281 HZ2 LYS 39 2HZ LYS 39 0.851 -4.007 -3.397 282 HZ3 LYS 39 3HZ LYS 39 -0.408 -4.698 -2.490 283 H ALA 40 H ALA 40 -4.556 -0.426 -5.577 284 HA ALA 40 HA ALA 40 -4.146 2.266 -6.696 285 HB1 ALA 40 1HB ALA 40 -6.672 1.178 -7.576 286 HB2 ALA 40 2HB ALA 40 -5.341 0.161 -8.126 287 HB3 ALA 40 3HB ALA 40 -5.367 1.876 -8.535 288 H GLY 41 H GLY 41 -5.121 3.786 -5.514 289 HA2 GLY 41 2HA GLY 41 -7.644 3.354 -4.196 290 HA3 GLY 41 1HA GLY 41 -6.292 3.428 -3.070 291 H TYR 42 H TYR 42 -7.742 5.337 -2.406 292 HA TYR 42 HA TYR 42 -6.667 7.751 -3.710 293 HB2 TYR 42 2HB TYR 42 -8.965 8.805 -3.257 294 HB3 TYR 42 1HB TYR 42 -8.846 7.696 -4.623 295 HD1 TYR 42 1HD TYR 42 -10.232 5.801 -4.745 296 HD2 TYR 42 2HD TYR 42 -9.719 7.817 -0.987 297 HE1 TYR 42 1HE TYR 42 -11.982 4.362 -3.734 298 HE2 TYR 42 2HE TYR 42 -11.468 6.378 0.024 299 HH TYR 42 HH TYR 42 -12.403 3.960 -0.530 300 H GLY 43 H GLY 43 -6.448 9.555 -2.340 301 HA2 GLY 43 2HA GLY 43 -6.494 8.884 0.541 302 HA3 GLY 43 1HA GLY 43 -5.384 10.027 -0.209 303 H TRP 44 H TRP 44 -6.971 10.663 2.026 304 HA TRP 44 HA TRP 44 -8.521 12.885 0.906 305 HB2 TRP 44 2HB TRP 44 -9.809 10.601 1.819 306 HB3 TRP 44 1HB TRP 44 -9.884 11.701 3.195 307 HD1 TRP 44 HD TRP 44 -10.741 11.595 -0.559 308 HE1 TRP 44 1HE TRP 44 -12.662 13.257 -0.998 309 HE3 TRP 44 3HE TRP 44 -11.173 13.689 4.079 310 HZ2 TRP 44 2HZ TRP 44 -14.180 15.218 0.430 311 HZ3 TRP 44 3HZ TRP 44 -12.861 15.450 4.511 312 HH2 TRP 44 HH TRP 44 -14.365 16.216 2.694 313 H ASN 45 H ASN 45 -8.791 14.638 2.356 314 HA ASN 45 HA ASN 45 -7.316 14.466 4.899 315 HB2 ASN 45 2HB ASN 45 -6.113 16.512 4.445 316 HB3 ASN 45 1HB ASN 45 -5.801 15.380 3.133 317 HD21 ASN 45 1HD2 ASN 45 -6.088 18.530 3.388 318 HD22 ASN 45 2HD2 ASN 45 -7.051 18.909 2.044 319 H ASN 46 H ASN 46 -7.492 17.160 5.575 320 HA ASN 46 HA ASN 46 -10.323 17.339 6.235 321 HB2 ASN 46 2HB ASN 46 -8.429 19.475 7.054 322 HB3 ASN 46 1HB ASN 46 -9.686 18.664 7.985 323 HD21 ASN 46 1HD2 ASN 46 -6.299 18.545 7.062 324 HD22 ASN 46 2HD2 ASN 46 -5.889 17.216 8.034 325 H SER 47 H SER 47 -9.776 17.712 3.489 326 HA SER 47 HA SER 47 -11.125 20.187 3.038 327 HB2 SER 47 2HB SER 47 -9.296 21.514 2.989 328 HB3 SER 47 1HB SER 47 -8.192 20.146 2.887 329 HG SER 47 HG SER 47 -8.502 21.666 0.985 330 H SER 48 H SER 48 -11.816 20.421 0.869 331 HA SER 48 HA SER 48 -12.567 18.189 -0.505 332 HB2 SER 48 2HB SER 48 -13.545 19.802 -1.712 333 HB3 SER 48 1HB SER 48 -12.444 21.008 -1.055 334 HG SER 48 HG SER 48 -11.507 20.997 -2.926 335 H LEU 49 H LEU 49 -9.449 19.786 -0.600 336 HA LEU 49 HA LEU 49 -8.255 18.872 -2.867 337 HB2 LEU 49 2HB LEU 49 -7.368 19.857 -0.390 338 HB3 LEU 49 1HB LEU 49 -6.486 18.350 -0.642 339 HG LEU 49 HG LEU 49 -6.696 20.617 -2.648 340 HD11 LEU 49 1HD1 LEU 49 -5.262 20.988 -0.570 341 HD12 LEU 49 2HD1 LEU 49 -4.416 21.112 -2.114 342 HD13 LEU 49 3HD1 LEU 49 -4.258 19.652 -1.136 343 HD21 LEU 49 1HD2 LEU 49 -4.589 18.884 -3.294 344 HD22 LEU 49 2HD2 LEU 49 -6.134 19.012 -4.136 345 HD23 LEU 49 3HD2 LEU 49 -5.925 17.816 -2.857 346 H ASN 50 H ASN 50 -8.486 16.925 -3.777 347 HA ASN 50 HA ASN 50 -8.459 14.526 -2.076 348 HB2 ASN 50 2HB ASN 50 -10.019 15.253 -4.267 349 HB3 ASN 50 1HB ASN 50 -8.888 14.064 -4.913 350 HD21 ASN 50 1HD2 ASN 50 -11.677 14.494 -2.864 351 HD22 ASN 50 2HD2 ASN 50 -11.842 12.867 -2.411 352 H ARG 51 H ARG 51 -7.232 12.643 -2.838 353 HA ARG 51 HA ARG 51 -4.875 13.319 -4.470 354 HB2 ARG 51 2HB ARG 51 -4.922 12.676 -1.610 355 HB3 ARG 51 1HB ARG 51 -3.832 11.650 -2.544 356 HG2 ARG 51 2HG ARG 51 -2.750 13.633 -3.504 357 HG3 ARG 51 1HG ARG 51 -3.866 14.681 -2.626 358 HD2 ARG 51 2HD ARG 51 -2.647 12.810 -0.802 359 HD3 ARG 51 1HD ARG 51 -1.397 13.656 -1.708 360 HE ARG 51 HE ARG 51 -3.228 14.823 0.222 361 HH11 ARG 51 1HH1 ARG 51 -2.833 17.005 0.713 362 HH12 ARG 51 2HH1 ARG 51 -1.767 17.933 -0.287 363 HH21 ARG 51 1HH2 ARG 51 -1.074 15.307 -2.443 364 HH22 ARG 51 2HH2 ARG 51 -0.770 16.972 -2.073 365 H PHE 52 H PHE 52 -3.714 11.403 -5.237 366 HA PHE 52 HA PHE 52 -5.319 8.932 -5.220 367 HB2 PHE 52 2HB PHE 52 -5.095 10.707 -7.424 368 HB3 PHE 52 1HB PHE 52 -4.139 9.274 -7.806 369 HD1 PHE 52 1HD PHE 52 -7.452 10.217 -6.317 370 HD2 PHE 52 2HD PHE 52 -5.228 7.395 -8.673 371 HE1 PHE 52 1HE PHE 52 -9.534 8.947 -6.762 372 HE2 PHE 52 2HE PHE 52 -7.312 6.126 -9.119 373 HZ PHE 52 HZ PHE 52 -9.464 6.902 -8.163 374 H GLU 53 H GLU 53 -4.132 7.025 -5.632 375 HA GLU 53 HA GLU 53 -1.196 7.308 -5.665 376 HB2 GLU 53 2HB GLU 53 -1.867 6.943 -3.336 377 HB3 GLU 53 1HB GLU 53 -2.779 5.511 -3.813 378 HG2 GLU 53 2HG GLU 53 -0.779 4.367 -4.505 379 HG3 GLU 53 1HG GLU 53 0.185 5.832 -4.328 380 H PHE 54 H PHE 54 -0.374 6.185 -7.299 381 HA PHE 54 HA PHE 54 -1.632 3.627 -8.053 382 HB2 PHE 54 2HB PHE 54 -2.360 5.504 -9.587 383 HB3 PHE 54 1HB PHE 54 -0.674 5.653 -10.081 384 HD1 PHE 54 1HD PHE 54 0.458 3.814 -11.280 385 HD2 PHE 54 2HD PHE 54 -3.704 3.600 -10.246 386 HE1 PHE 54 1HE PHE 54 0.162 1.927 -12.863 387 HE2 PHE 54 2HE PHE 54 -4.000 1.713 -11.829 388 HZ PHE 54 HZ PHE 54 -2.067 0.876 -13.137 389 H GLY 55 H GLY 55 -0.175 2.046 -8.077 390 HA2 GLY 55 2HA GLY 55 2.285 2.039 -9.355 391 HA3 GLY 55 1HA GLY 55 2.608 2.530 -7.695 392 H GLY 56 H GLY 56 3.875 0.441 -7.843 393 HA2 GLY 56 2HA GLY 56 2.165 -1.760 -6.876 394 HA3 GLY 56 1HA GLY 56 3.372 -2.076 -8.119 395 H GLY 57 H GLY 57 3.915 -3.621 -6.203 396 HA2 GLY 57 2HA GLY 57 6.159 -2.391 -4.774 397 HA3 GLY 57 1HA GLY 57 4.937 -3.219 -3.813 398 H LEU 58 H LEU 58 7.186 -4.334 -3.373 399 HA LEU 58 HA LEU 58 7.224 -6.770 -5.036 400 HB2 LEU 58 2HB LEU 58 9.513 -4.965 -4.349 401 HB3 LEU 58 1HB LEU 58 9.798 -6.701 -4.493 402 HG LEU 58 HG LEU 58 8.223 -5.331 -6.641 403 HD11 LEU 58 1HD1 LEU 58 10.589 -5.092 -7.766 404 HD12 LEU 58 2HD1 LEU 58 11.164 -5.024 -6.100 405 HD13 LEU 58 3HD1 LEU 58 10.009 -3.826 -6.684 406 HD21 LEU 58 1HD2 LEU 58 8.882 -7.161 -7.917 407 HD22 LEU 58 2HD2 LEU 58 8.854 -7.886 -6.309 408 HD23 LEU 58 3HD2 LEU 58 10.385 -7.375 -7.019 409 H GLN 59 H GLN 59 7.601 -8.662 -3.946 410 HA GLN 59 HA GLN 59 8.214 -8.552 -1.076 411 HB2 GLN 59 2HB GLN 59 6.303 -9.728 -0.398 412 HB3 GLN 59 1HB GLN 59 5.665 -8.572 -1.566 413 HG2 GLN 59 2HG GLN 59 6.073 -10.444 -3.318 414 HG3 GLN 59 1HG GLN 59 6.168 -11.521 -1.926 415 HE21 GLN 59 1HE2 GLN 59 4.143 -12.596 -2.490 416 HE22 GLN 59 2HE2 GLN 59 2.649 -11.812 -2.303 417 H TYR 60 H TYR 60 8.652 -10.770 -0.197 418 HA TYR 60 HA TYR 60 9.674 -12.591 -2.297 419 HB2 TYR 60 2HB TYR 60 11.097 -11.284 -0.083 420 HB3 TYR 60 1HB TYR 60 11.353 -13.027 -0.176 421 HD1 TYR 60 1HD TYR 60 11.405 -9.905 -2.228 422 HD2 TYR 60 2HD TYR 60 12.787 -13.952 -1.810 423 HE1 TYR 60 1HE TYR 60 12.945 -9.579 -4.145 424 HE2 TYR 60 2HE TYR 60 14.327 -13.624 -3.725 425 HH TYR 60 HH TYR 60 14.290 -11.954 -5.847 426 H LYS 61 H LYS 61 10.145 -14.809 -1.367 427 HA LYS 61 HA LYS 61 8.025 -15.549 0.564 428 HB2 LYS 61 2HB LYS 61 7.478 -16.395 -1.637 429 HB3 LYS 61 1HB LYS 61 9.093 -17.082 -1.816 430 HG2 LYS 61 2HG LYS 61 8.701 -18.749 -0.205 431 HG3 LYS 61 1HG LYS 61 7.345 -17.873 0.505 432 HD2 LYS 61 2HD LYS 61 7.110 -18.661 -2.362 433 HD3 LYS 61 1HD LYS 61 6.970 -19.941 -1.156 434 HE2 LYS 61 2HE LYS 61 5.404 -17.364 -0.954 435 HE3 LYS 61 1HE LYS 61 4.788 -18.771 -1.820 436 HZ1 LYS 61 1HZ LYS 61 5.147 -20.069 0.236 437 HZ2 LYS 61 2HZ LYS 61 3.990 -18.839 0.412 438 HZ3 LYS 61 3HZ LYS 61 5.555 -18.634 1.043 439 H VAL 62 H VAL 62 9.240 -15.591 2.420 440 HA VAL 62 HA VAL 62 11.383 -17.627 2.512 441 HB VAL 62 HB VAL 62 11.340 -14.896 3.809 442 HG11 VAL 62 1HG1 VAL 62 12.155 -16.299 5.526 443 HG12 VAL 62 2HG1 VAL 62 13.616 -15.751 4.706 444 HG13 VAL 62 3HG1 VAL 62 12.979 -17.363 4.385 445 HG21 VAL 62 1HG2 VAL 62 12.280 -15.647 1.361 446 HG22 VAL 62 2HG2 VAL 62 13.700 -15.954 2.362 447 HG23 VAL 62 3HG2 VAL 62 12.981 -14.344 2.318 448 H THR 63 H THR 63 8.687 -16.026 4.062 449 HA THR 63 HA THR 63 8.502 -18.259 5.960 450 HB THR 63 HB THR 63 7.606 -16.084 7.424 451 HG1 THR 63 1HG THR 63 9.666 -14.792 7.200 452 HG21 THR 63 1HG2 THR 63 9.634 -16.439 8.762 453 HG22 THR 63 2HG2 THR 63 10.387 -17.294 7.415 454 HG23 THR 63 3HG2 THR 63 8.988 -17.990 8.230 455 HA PRO 64 HA PRO 64 4.186 -18.507 5.055 456 HB2 PRO 64 2HB PRO 64 3.585 -17.520 7.818 457 HB3 PRO 64 1HB PRO 64 2.929 -18.924 6.954 458 HG2 PRO 64 2HG PRO 64 4.797 -19.180 8.844 459 HG3 PRO 64 1HG PRO 64 4.747 -20.233 7.422 460 HD2 PRO 64 2HD PRO 64 6.667 -18.080 8.082 461 HD3 PRO 64 1HD PRO 64 6.870 -19.486 7.017 462 H ASP 65 H ASP 65 5.647 -15.607 6.107 463 HA ASP 65 HA ASP 65 4.442 -13.858 4.417 464 HB2 ASP 65 2HB ASP 65 2.636 -14.485 6.667 465 HB3 ASP 65 1HB ASP 65 2.870 -12.767 6.373 466 H LEU 66 H LEU 66 6.815 -13.587 4.931 467 HA LEU 66 HA LEU 66 7.117 -11.223 6.582 468 HB2 LEU 66 2HB LEU 66 7.725 -13.754 7.702 469 HB3 LEU 66 1HB LEU 66 9.265 -12.973 7.339 470 HG LEU 66 HG LEU 66 6.987 -11.691 8.878 471 HD11 LEU 66 1HD1 LEU 66 8.916 -11.832 10.686 472 HD12 LEU 66 2HD1 LEU 66 9.456 -13.185 9.691 473 HD13 LEU 66 3HD1 LEU 66 7.847 -13.207 10.415 474 HD21 LEU 66 1HD2 LEU 66 9.321 -10.635 7.552 475 HD22 LEU 66 2HD2 LEU 66 9.483 -10.408 9.293 476 HD23 LEU 66 3HD2 LEU 66 8.076 -9.765 8.448 477 H GLU 67 H GLU 67 7.963 -9.991 4.997 478 HA GLU 67 HA GLU 67 10.608 -10.581 4.043 479 HB2 GLU 67 2HB GLU 67 9.717 -10.364 1.572 480 HB3 GLU 67 1HB GLU 67 9.707 -11.932 2.379 481 HG2 GLU 67 2HG GLU 67 7.321 -10.162 2.723 482 HG3 GLU 67 1HG GLU 67 7.525 -10.970 1.172 483 HA PRO 68 HA PRO 68 10.650 -6.163 3.780 484 HB2 PRO 68 2HB PRO 68 12.353 -5.783 1.621 485 HB3 PRO 68 1HB PRO 68 12.884 -6.107 3.281 486 HG2 PRO 68 2HG PRO 68 12.670 -7.953 0.967 487 HG3 PRO 68 1HG PRO 68 13.868 -7.905 2.272 488 HD2 PRO 68 2HD PRO 68 11.859 -9.736 2.215 489 HD3 PRO 68 1HD PRO 68 12.528 -9.106 3.734 490 H TYR 69 H TYR 69 9.399 -4.614 2.807 491 HA TYR 69 HA TYR 69 8.213 -5.288 0.180 492 HB2 TYR 69 2HB TYR 69 6.732 -5.274 2.314 493 HB3 TYR 69 1HB TYR 69 6.869 -3.519 2.201 494 HD1 TYR 69 1HD TYR 69 5.886 -2.287 0.342 495 HD2 TYR 69 2HD TYR 69 5.595 -6.567 0.565 496 HE1 TYR 69 1HE TYR 69 4.150 -2.261 -1.430 497 HE2 TYR 69 2HE TYR 69 3.859 -6.541 -1.207 498 HH TYR 69 HH TYR 69 2.972 -5.220 -2.888 499 H ALA 70 H ALA 70 8.405 -3.860 -1.412 500 HA ALA 70 HA ALA 70 9.469 -1.173 -0.760 501 HB1 ALA 70 1HB ALA 70 9.945 -2.910 -3.193 502 HB2 ALA 70 2HB ALA 70 11.129 -2.467 -1.963 503 HB3 ALA 70 3HB ALA 70 10.478 -1.235 -3.045 504 H TRP 71 H TRP 71 8.757 0.576 -2.109 505 HA TRP 71 HA TRP 71 6.318 0.049 -3.676 506 HB2 TRP 71 2HB TRP 71 5.787 0.797 -1.294 507 HB3 TRP 71 1HB TRP 71 6.499 2.351 -1.734 508 HD1 TRP 71 HD TRP 71 3.499 0.120 -2.411 509 HE1 TRP 71 1HE TRP 71 1.728 1.465 -3.718 510 HE3 TRP 71 3HE TRP 71 6.171 4.352 -3.414 511 HZ2 TRP 71 2HZ TRP 71 1.480 4.000 -5.019 512 HZ3 TRP 71 3HZ TRP 71 5.147 6.214 -4.687 513 HH2 TRP 71 HH TRP 71 2.807 6.045 -5.489 514 H ALA 72 H ALA 72 5.933 1.489 -5.351 515 HA ALA 72 HA ALA 72 7.557 3.841 -5.730 516 HB1 ALA 72 1HB ALA 72 7.926 1.581 -7.703 517 HB2 ALA 72 2HB ALA 72 9.071 1.928 -6.406 518 HB3 ALA 72 3HB ALA 72 8.773 3.128 -7.664 519 H GLY 73 H GLY 73 6.375 5.276 -6.824 520 HA2 GLY 73 2HA GLY 73 4.878 4.774 -9.145 521 HA3 GLY 73 1HA GLY 73 3.779 4.705 -7.769 522 H ALA 74 H ALA 74 2.756 6.578 -8.786 523 HA ALA 74 HA ALA 74 4.113 9.089 -8.020 524 HB1 ALA 74 1HB ALA 74 3.779 10.052 -10.048 525 HB2 ALA 74 2HB ALA 74 2.233 9.239 -10.291 526 HB3 ALA 74 3HB ALA 74 3.738 8.382 -10.619 527 H THR 75 H THR 75 2.728 10.788 -7.358 528 HA THR 75 HA THR 75 0.087 9.848 -6.426 529 HB THR 75 HB THR 75 1.340 12.335 -5.359 530 HG1 THR 75 1HG THR 75 3.030 10.817 -5.371 531 HG21 THR 75 1HG2 THR 75 0.156 11.727 -3.392 532 HG22 THR 75 2HG2 THR 75 -0.022 10.056 -3.921 533 HG23 THR 75 3HG2 THR 75 -0.936 11.336 -4.721 534 H TYR 76 H TYR 76 -1.693 10.733 -7.256 535 HA TYR 76 HA TYR 76 -1.404 13.120 -8.966 536 HB2 TYR 76 2HB TYR 76 -2.688 10.648 -9.377 537 HB3 TYR 76 1HB TYR 76 -3.977 11.830 -9.155 538 HD1 TYR 76 1HD TYR 76 -3.352 14.223 -10.335 539 HD2 TYR 76 2HD TYR 76 -1.990 10.343 -11.582 540 HE1 TYR 76 1HE TYR 76 -2.963 15.095 -12.622 541 HE2 TYR 76 2HE TYR 76 -1.601 11.217 -13.870 542 HH TYR 76 HH TYR 76 -1.153 13.445 -14.934 543 H ASN 77 H ASN 77 -2.143 14.993 -8.213 544 HA ASN 77 HA ASN 77 -4.002 14.971 -5.929 545 HB2 ASN 77 2HB ASN 77 -2.307 17.219 -7.040 546 HB3 ASN 77 1HB ASN 77 -3.300 17.296 -5.585 547 HD21 ASN 77 1HD2 ASN 77 -1.013 17.812 -4.639 548 HD22 ASN 77 2HD2 ASN 77 -0.086 16.482 -4.137 549 H THR 78 H THR 78 -5.874 16.252 -5.926 550 HA THR 78 HA THR 78 -7.416 16.273 -8.235 551 HB THR 78 HB THR 78 -7.675 18.113 -5.843 552 HG1 THR 78 1HG THR 78 -8.550 15.487 -6.408 553 HG21 THR 78 1HG2 THR 78 -9.504 17.349 -8.112 554 HG22 THR 78 2HG2 THR 78 -9.115 18.959 -7.509 555 HG23 THR 78 3HG2 THR 78 -10.150 17.889 -6.562 556 H ASP 79 H ASP 79 -5.110 18.616 -7.062 557 HA ASP 79 HA ASP 79 -5.945 20.756 -8.785 558 HB2 ASP 79 2HB ASP 79 -3.886 20.293 -6.772 559 HB3 ASP 79 1HB ASP 79 -3.282 21.217 -8.146 560 H ASN 80 H ASN 80 -5.103 17.925 -9.776 561 HA ASN 80 HA ASN 80 -4.213 17.089 -11.722 562 HB2 ASN 80 2HB ASN 80 -3.544 19.871 -12.628 563 HB3 ASN 80 1HB ASN 80 -4.070 18.486 -13.584 564 HD21 ASN 80 1HD2 ASN 80 -6.375 17.659 -12.259 565 HD22 ASN 80 2HD2 ASN 80 -7.528 18.905 -12.263 566 H THR 81 H THR 81 -2.588 17.689 -9.331 567 HA THR 81 HA THR 81 0.038 18.308 -10.485 568 HB THR 81 HB THR 81 -0.073 17.623 -7.636 569 HG1 THR 81 1HG THR 81 -1.888 19.358 -8.774 570 HG21 THR 81 1HG2 THR 81 1.785 18.770 -8.953 571 HG22 THR 81 2HG2 THR 81 1.304 19.567 -7.455 572 HG23 THR 81 3HG2 THR 81 0.742 20.192 -9.006 573 H LEU 82 H LEU 82 1.565 16.812 -10.839 574 HA LEU 82 HA LEU 82 1.179 14.103 -9.733 575 HB2 LEU 82 2HB LEU 82 0.427 14.214 -12.123 576 HB3 LEU 82 1HB LEU 82 2.057 14.712 -12.566 577 HG LEU 82 HG LEU 82 2.944 12.609 -11.556 578 HD11 LEU 82 1HD1 LEU 82 1.489 11.758 -9.995 579 HD12 LEU 82 2HD1 LEU 82 0.917 10.845 -11.389 580 HD13 LEU 82 3HD1 LEU 82 0.059 12.296 -10.875 581 HD21 LEU 82 1HD2 LEU 82 0.839 12.400 -13.723 582 HD22 LEU 82 2HD2 LEU 82 1.935 11.079 -13.319 583 HD23 LEU 82 3HD2 LEU 82 2.579 12.602 -13.929 584 H VAL 83 H VAL 83 2.893 13.556 -8.560 585 HA VAL 83 HA VAL 83 5.568 14.363 -9.486 586 HB VAL 83 HB VAL 83 5.888 14.511 -6.789 587 HG11 VAL 83 1HG1 VAL 83 4.999 16.731 -8.659 588 HG12 VAL 83 2HG1 VAL 83 6.654 16.163 -8.443 589 HG13 VAL 83 3HG1 VAL 83 5.819 16.970 -7.116 590 HG21 VAL 83 1HG2 VAL 83 4.014 15.695 -5.820 591 HG22 VAL 83 2HG2 VAL 83 3.396 14.203 -6.525 592 HG23 VAL 83 3HG2 VAL 83 3.175 15.734 -7.370 593 HA PRO 84 HA PRO 84 6.597 10.170 -8.561 594 HB2 PRO 84 2HB PRO 84 9.209 10.374 -7.764 595 HB3 PRO 84 1HB PRO 84 8.686 10.531 -9.452 596 HG2 PRO 84 2HG PRO 84 9.390 12.647 -7.484 597 HG3 PRO 84 1HG PRO 84 9.732 12.556 -9.219 598 HD2 PRO 84 2HD PRO 84 7.716 14.089 -8.177 599 HD3 PRO 84 1HD PRO 84 7.664 13.394 -9.812 600 H ALA 85 H ALA 85 7.211 8.666 -6.837 601 HA ALA 85 HA ALA 85 7.582 9.657 -4.151 602 HB1 ALA 85 1HB ALA 85 4.915 8.731 -5.117 603 HB2 ALA 85 2HB ALA 85 5.312 9.962 -3.919 604 HB3 ALA 85 3HB ALA 85 5.421 8.254 -3.496 605 H ALA 86 H ALA 86 8.462 8.118 -2.837 606 HA ALA 86 HA ALA 86 8.386 5.310 -3.699 607 HB1 ALA 86 1HB ALA 86 10.447 6.465 -4.635 608 HB2 ALA 86 2HB ALA 86 10.755 5.047 -3.633 609 HB3 ALA 86 3HB ALA 86 10.984 6.665 -2.967 610 H GLY 87 H GLY 87 8.988 3.813 -2.024 611 HA2 GLY 87 2HA GLY 87 9.462 4.778 0.662 612 HA3 GLY 87 1HA GLY 87 7.844 4.126 0.416 613 H ALA 88 H ALA 88 10.075 3.127 2.083 614 HA ALA 88 HA ALA 88 10.121 0.383 1.016 615 HB1 ALA 88 1HB ALA 88 12.293 1.447 0.470 616 HB2 ALA 88 2HB ALA 88 12.470 0.120 1.618 617 HB3 ALA 88 3HB ALA 88 12.535 1.789 2.183 618 H GLY 89 H GLY 89 9.679 -1.131 2.512 619 HA2 GLY 89 2HA GLY 89 10.185 -0.675 5.333 620 HA3 GLY 89 1HA GLY 89 8.481 -0.727 4.894 621 H PHE 90 H PHE 90 7.805 -2.644 5.697 622 HA PHE 90 HA PHE 90 8.679 -5.058 4.399 623 HB2 PHE 90 2HB PHE 90 9.406 -6.230 6.434 624 HB3 PHE 90 1HB PHE 90 10.449 -4.849 6.092 625 HD1 PHE 90 1HD PHE 90 8.105 -6.336 8.432 626 HD2 PHE 90 2HD PHE 90 10.104 -2.691 7.350 627 HE1 PHE 90 1HE PHE 90 7.585 -5.388 10.663 628 HE2 PHE 90 2HE PHE 90 9.583 -1.743 9.581 629 HZ PHE 90 HZ PHE 90 8.325 -3.091 11.238 630 H ARG 91 H ARG 91 7.403 -6.924 5.039 631 HA ARG 91 HA ARG 91 4.800 -6.140 6.209 632 HB2 ARG 91 2HB ARG 91 4.447 -6.667 3.915 633 HB3 ARG 91 1HB ARG 91 5.483 -8.091 4.010 634 HG2 ARG 91 2HG ARG 91 3.904 -9.301 5.286 635 HG3 ARG 91 1HG ARG 91 3.012 -7.843 5.723 636 HD2 ARG 91 2HD ARG 91 1.866 -9.217 3.969 637 HD3 ARG 91 1HD ARG 91 2.223 -7.573 3.448 638 HE ARG 91 HE ARG 91 4.387 -8.900 2.559 639 HH11 ARG 91 1HH1 ARG 91 4.521 -10.036 0.596 640 HH12 ARG 91 2HH1 ARG 91 3.089 -10.707 -0.108 641 HH21 ARG 91 1HH2 ARG 91 0.999 -9.589 2.424 642 HH22 ARG 91 2HH2 ARG 91 1.095 -10.455 0.927 643 H TYR 92 H TYR 92 4.410 -7.013 8.124 644 HA TYR 92 HA TYR 92 5.757 -9.541 8.849 645 HB2 TYR 92 2HB TYR 92 6.117 -7.408 10.230 646 HB3 TYR 92 1HB TYR 92 4.452 -7.620 10.770 647 HD1 TYR 92 1HD TYR 92 7.877 -8.862 10.992 648 HD2 TYR 92 2HD TYR 92 3.786 -9.669 12.020 649 HE1 TYR 92 1HE TYR 92 8.627 -10.548 12.647 650 HE2 TYR 92 2HE TYR 92 4.536 -11.356 13.675 651 HH TYR 92 HH TYR 92 7.887 -11.709 14.550 652 H LYS 93 H LYS 93 4.563 -11.166 9.937 653 HA LYS 93 HA LYS 93 1.742 -11.229 9.150 654 HB2 LYS 93 2HB LYS 93 3.284 -13.148 8.651 655 HB3 LYS 93 1HB LYS 93 3.407 -13.429 10.389 656 HG2 LYS 93 2HG LYS 93 0.650 -13.184 9.857 657 HG3 LYS 93 1HG LYS 93 1.293 -14.204 8.570 658 HD2 LYS 93 2HD LYS 93 2.454 -15.574 10.343 659 HD3 LYS 93 1HD LYS 93 1.575 -14.640 11.554 660 HE2 LYS 93 2HE LYS 93 0.337 -16.681 11.116 661 HE3 LYS 93 1HE LYS 93 -0.568 -15.325 10.445 662 HZ1 LYS 93 1HZ LYS 93 0.409 -15.809 8.279 663 HZ2 LYS 93 2HZ LYS 93 -0.462 -17.140 8.873 664 HZ3 LYS 93 3HZ LYS 93 1.236 -17.137 8.934 665 H VAL 94 H VAL 94 0.227 -10.629 10.543 666 HA VAL 94 HA VAL 94 0.817 -10.713 13.430 667 HB VAL 94 HB VAL 94 -1.113 -9.119 11.756 668 HG11 VAL 94 1HG1 VAL 94 -2.563 -9.677 13.495 669 HG12 VAL 94 2HG1 VAL 94 -1.779 -8.239 14.147 670 HG13 VAL 94 3HG1 VAL 94 -1.256 -9.840 14.667 671 HG21 VAL 94 1HG2 VAL 94 1.161 -8.232 12.109 672 HG22 VAL 94 2HG2 VAL 94 0.967 -8.410 13.852 673 HG23 VAL 94 3HG2 VAL 94 -0.025 -7.251 12.969 674 H SER 95 H SER 95 -2.215 -10.934 11.577 675 HA SER 95 HA SER 95 -2.974 -13.240 13.253 676 HB2 SER 95 2HB SER 95 -4.364 -10.877 12.483 677 HB3 SER 95 1HB SER 95 -5.180 -12.251 11.741 678 HG SER 95 HG SER 95 -5.455 -11.483 14.172 679 HA PRO 96 HA PRO 96 -3.031 -15.914 9.758 680 HB2 PRO 96 2HB PRO 96 -5.238 -17.459 10.191 681 HB3 PRO 96 1HB PRO 96 -3.759 -17.591 11.161 682 HG2 PRO 96 2HG PRO 96 -6.319 -16.208 11.793 683 HG3 PRO 96 1HG PRO 96 -5.261 -17.164 12.846 684 HD2 PRO 96 2HD PRO 96 -5.281 -14.420 12.837 685 HD3 PRO 96 1HD PRO 96 -3.854 -15.387 13.274 686 H GLU 97 H GLU 97 -5.660 -13.767 10.259 687 HA GLU 97 HA GLU 97 -6.557 -14.150 7.462 688 HB2 GLU 97 2HB GLU 97 -8.153 -13.572 9.951 689 HB3 GLU 97 1HB GLU 97 -8.773 -13.197 8.341 690 HG2 GLU 97 2HG GLU 97 -7.635 -15.922 8.819 691 HG3 GLU 97 1HG GLU 97 -9.235 -15.562 9.467 692 H VAL 98 H VAL 98 -5.009 -12.113 9.586 693 HA VAL 98 HA VAL 98 -5.597 -9.781 7.872 694 HB VAL 98 HB VAL 98 -5.069 -9.406 10.798 695 HG11 VAL 98 1HG1 VAL 98 -5.227 -7.632 8.818 696 HG12 VAL 98 2HG1 VAL 98 -5.888 -7.276 10.413 697 HG13 VAL 98 3HG1 VAL 98 -6.956 -7.808 9.115 698 HG21 VAL 98 1HG2 VAL 98 -6.915 -10.878 10.957 699 HG22 VAL 98 2HG2 VAL 98 -7.652 -10.251 9.483 700 HG23 VAL 98 3HG2 VAL 98 -7.655 -9.278 10.954 701 H LYS 99 H LYS 99 -3.832 -8.834 7.085 702 HA LYS 99 HA LYS 99 -1.215 -9.592 8.228 703 HB2 LYS 99 2HB LYS 99 -1.322 -8.236 5.602 704 HB3 LYS 99 1HB LYS 99 -0.365 -9.625 6.120 705 HG2 LYS 99 2HG LYS 99 -2.498 -10.987 6.086 706 HG3 LYS 99 1HG LYS 99 -3.285 -9.607 5.320 707 HD2 LYS 99 2HD LYS 99 -1.410 -9.697 3.574 708 HD3 LYS 99 1HD LYS 99 -1.005 -11.277 4.247 709 HE2 LYS 99 2HE LYS 99 -3.682 -10.461 3.078 710 HE3 LYS 99 1HE LYS 99 -2.517 -11.566 2.349 711 HZ1 LYS 99 1HZ LYS 99 -4.352 -11.998 4.563 712 HZ2 LYS 99 2HZ LYS 99 -2.811 -12.693 4.727 713 HZ3 LYS 99 3HZ LYS 99 -3.786 -13.087 3.393 714 H LEU 100 H LEU 100 0.418 -7.983 8.437 715 HA LEU 100 HA LEU 100 -0.633 -5.222 8.671 716 HB2 LEU 100 2HB LEU 100 -0.212 -6.205 10.875 717 HB3 LEU 100 1HB LEU 100 1.438 -6.603 10.394 718 HG LEU 100 HG LEU 100 0.798 -3.799 9.891 719 HD11 LEU 100 1HD1 LEU 100 0.850 -3.185 12.337 720 HD12 LEU 100 2HD1 LEU 100 0.584 -4.887 12.712 721 HD13 LEU 100 3HD1 LEU 100 -0.641 -3.978 11.828 722 HD21 LEU 100 1HD2 LEU 100 2.878 -5.145 11.647 723 HD22 LEU 100 2HD2 LEU 100 2.934 -3.489 11.041 724 HD23 LEU 100 3HD2 LEU 100 3.069 -4.843 9.919 725 H VAL 101 H VAL 101 0.587 -3.580 7.856 726 HA VAL 101 HA VAL 101 3.252 -4.214 6.778 727 HB VAL 101 HB VAL 101 1.116 -2.766 5.196 728 HG11 VAL 101 1HG1 VAL 101 3.902 -3.757 4.513 729 HG12 VAL 101 2HG1 VAL 101 3.400 -2.073 4.662 730 HG13 VAL 101 3HG1 VAL 101 2.767 -3.068 3.352 731 HG21 VAL 101 1HG2 VAL 101 0.422 -5.036 5.237 732 HG22 VAL 101 2HG2 VAL 101 2.081 -5.630 5.172 733 HG23 VAL 101 3HG2 VAL 101 1.351 -4.892 3.747 734 H VAL 102 H VAL 102 4.630 -2.408 6.552 735 HA VAL 102 HA VAL 102 3.662 0.188 7.448 736 HB VAL 102 HB VAL 102 4.329 -0.553 9.564 737 HG11 VAL 102 1HG1 VAL 102 6.716 -1.748 9.644 738 HG12 VAL 102 2HG1 VAL 102 6.279 -2.182 7.991 739 HG13 VAL 102 3HG1 VAL 102 5.240 -2.664 9.333 740 HG21 VAL 102 1HG2 VAL 102 7.007 0.390 8.554 741 HG22 VAL 102 2HG2 VAL 102 6.212 0.759 10.085 742 HG23 VAL 102 3HG2 VAL 102 5.628 1.488 8.589 743 H GLU 103 H GLU 103 4.248 1.375 5.793 744 HA GLU 103 HA GLU 103 6.907 0.979 4.571 745 HB2 GLU 103 2HB GLU 103 4.496 0.984 3.318 746 HB3 GLU 103 1HB GLU 103 4.942 2.684 3.180 747 HG2 GLU 103 2HG GLU 103 5.890 1.660 1.263 748 HG3 GLU 103 1HG GLU 103 7.237 1.844 2.383 749 H TYR 104 H TYR 104 8.271 2.719 4.257 750 HA TYR 104 HA TYR 104 7.603 5.134 5.823 751 HB2 TYR 104 2HB TYR 104 9.795 3.481 6.013 752 HB3 TYR 104 1HB TYR 104 10.393 4.783 4.986 753 HD1 TYR 104 1HD TYR 104 9.623 7.226 5.775 754 HD2 TYR 104 2HD TYR 104 9.937 3.782 8.326 755 HE1 TYR 104 1HE TYR 104 9.823 8.708 7.754 756 HE2 TYR 104 2HE TYR 104 10.137 5.266 10.303 757 HH TYR 104 HH TYR 104 11.012 7.865 10.567 758 H GLY 105 H GLY 105 6.954 6.786 4.605 759 HA2 GLY 105 2HA GLY 105 7.381 6.972 1.801 760 HA3 GLY 105 1HA GLY 105 6.740 8.246 2.835 761 H TRP 106 H TRP 106 8.937 7.969 0.636 762 HA TRP 106 HA TRP 106 10.683 9.959 1.794 763 HB2 TRP 106 2HB TRP 106 11.721 7.879 2.624 764 HB3 TRP 106 1HB TRP 106 11.836 7.284 0.967 765 HD1 TRP 106 HD TRP 106 12.833 10.570 2.773 766 HE1 TRP 106 1HE TRP 106 15.185 11.244 1.956 767 HE3 TRP 106 3HE TRP 106 13.755 6.758 -0.498 768 HZ2 TRP 106 2HZ TRP 106 17.191 10.290 0.154 769 HZ3 TRP 106 3HZ TRP 106 15.891 6.666 -1.751 770 HH2 TRP 106 HH TRP 106 17.609 8.425 -1.429 771 H ASN 107 H ASN 107 12.352 10.668 0.171 772 HA ASN 107 HA ASN 107 12.132 9.929 -2.564 773 HB2 ASN 107 2HB ASN 107 9.920 11.191 -2.041 774 HB3 ASN 107 1HB ASN 107 10.934 12.634 -2.031 775 HD21 ASN 107 1HD2 ASN 107 8.833 11.662 -4.045 776 HD22 ASN 107 2HD2 ASN 107 9.645 11.689 -5.535 777 H ASN 108 H ASN 108 13.545 11.152 -3.919 778 HA ASN 108 HA ASN 108 15.973 11.857 -2.929 779 HB2 ASN 108 2HB ASN 108 14.516 12.396 -5.400 780 HB3 ASN 108 1HB ASN 108 15.679 13.663 -5.012 781 HD21 ASN 108 1HD2 ASN 108 15.357 10.201 -5.744 782 HD22 ASN 108 2HD2 ASN 108 17.009 9.936 -6.028 783 H SER 109 H SER 109 16.162 13.087 -1.124 784 HA SER 109 HA SER 109 15.946 14.894 0.305 785 HB2 SER 109 2HB SER 109 16.292 16.437 -2.271 786 HB3 SER 109 1HB SER 109 16.747 16.952 -0.649 787 HG SER 109 HG SER 109 18.594 16.129 -1.346 788 H SER 110 H SER 110 13.730 14.586 0.853 789 HA SER 110 HA SER 110 12.086 16.853 0.309 790 HB2 SER 110 2HB SER 110 10.520 14.564 -0.566 791 HB3 SER 110 1HB SER 110 10.722 16.140 -1.325 792 HG SER 110 HG SER 110 11.589 14.480 -2.618 793 H LEU 111 H LEU 111 9.953 16.670 1.406 794 HA LEU 111 HA LEU 111 10.150 15.884 4.037 795 HB2 LEU 111 2HB LEU 111 7.638 15.908 4.050 796 HB3 LEU 111 1HB LEU 111 8.369 17.345 3.334 797 HG LEU 111 HG LEU 111 8.046 15.349 1.292 798 HD11 LEU 111 1HD1 LEU 111 6.270 14.394 2.652 799 HD12 LEU 111 2HD1 LEU 111 5.540 15.278 1.314 800 HD13 LEU 111 3HD1 LEU 111 5.573 15.990 2.928 801 HD21 LEU 111 1HD2 LEU 111 8.190 17.827 1.015 802 HD22 LEU 111 2HD2 LEU 111 6.604 17.979 1.771 803 HD23 LEU 111 3HD2 LEU 111 6.767 17.145 0.225 804 H GLN 112 H GLN 112 9.297 14.131 5.246 805 HA GLN 112 HA GLN 112 8.820 11.652 3.706 806 HB2 GLN 112 2HB GLN 112 10.062 10.521 5.677 807 HB3 GLN 112 1HB GLN 112 11.027 11.328 4.439 808 HG2 GLN 112 2HG GLN 112 11.284 13.292 5.822 809 HG3 GLN 112 1HG GLN 112 10.140 12.666 7.009 810 HE21 GLN 112 1HE2 GLN 112 12.514 10.542 5.469 811 HE22 GLN 112 2HE2 GLN 112 13.463 10.310 6.856 812 H PHE 113 H PHE 113 7.665 9.994 4.917 813 HA PHE 113 HA PHE 113 6.326 10.766 7.371 814 HB2 PHE 113 2HB PHE 113 4.051 10.504 6.407 815 HB3 PHE 113 1HB PHE 113 4.909 11.894 5.741 816 HD1 PHE 113 1HD PHE 113 5.744 11.889 3.445 817 HD2 PHE 113 2HD PHE 113 3.670 8.493 5.064 818 HE1 PHE 113 1HE PHE 113 5.481 10.960 1.161 819 HE2 PHE 113 2HE PHE 113 3.409 7.563 2.779 820 HZ PHE 113 HZ PHE 113 4.314 8.798 0.828 821 H LEU 114 H LEU 114 4.802 9.013 8.089 822 HA LEU 114 HA LEU 114 5.791 6.371 7.182 823 HB2 LEU 114 2HB LEU 114 5.664 7.569 9.807 824 HB3 LEU 114 1HB LEU 114 4.693 6.097 9.754 825 HG LEU 114 HG LEU 114 7.543 6.271 8.739 826 HD11 LEU 114 1HD1 LEU 114 7.791 4.741 10.897 827 HD12 LEU 114 2HD1 LEU 114 6.396 5.673 11.438 828 HD13 LEU 114 3HD1 LEU 114 7.898 6.496 11.017 829 HD21 LEU 114 1HD2 LEU 114 7.184 4.181 7.973 830 HD22 LEU 114 2HD2 LEU 114 5.478 4.373 8.373 831 HD23 LEU 114 3HD2 LEU 114 6.585 3.666 9.550 832 H GLN 115 H GLN 115 4.298 4.671 7.029 833 HA GLN 115 HA GLN 115 1.461 5.334 7.396 834 HB2 GLN 115 2HB GLN 115 1.109 4.119 5.117 835 HB3 GLN 115 1HB GLN 115 1.587 5.817 5.115 836 HG2 GLN 115 2HG GLN 115 3.919 5.207 4.770 837 HG3 GLN 115 1HG GLN 115 3.522 3.494 4.905 838 HE21 GLN 115 1HE2 GLN 115 4.728 4.754 2.542 839 HE22 GLN 115 2HE2 GLN 115 3.623 4.562 1.268 840 H ALA 116 H ALA 116 0.294 3.687 8.189 841 HA ALA 116 HA ALA 116 1.397 0.955 8.026 842 HB1 ALA 116 1HB ALA 116 0.550 0.683 10.435 843 HB2 ALA 116 2HB ALA 116 0.528 2.445 10.500 844 HB3 ALA 116 3HB ALA 116 2.045 1.592 10.211 845 H GLY 117 H GLY 117 -0.089 -0.543 7.503 846 HA2 GLY 117 2HA GLY 117 -2.913 -0.101 8.084 847 HA3 GLY 117 1HA GLY 117 -2.477 -0.153 6.380 848 H LEU 118 H LEU 118 -3.956 -2.020 6.366 849 HA LEU 118 HA LEU 118 -2.449 -4.489 6.743 850 HB2 LEU 118 2HB LEU 118 -4.438 -5.553 7.898 851 HB3 LEU 118 1HB LEU 118 -3.528 -4.399 8.876 852 HG LEU 118 HG LEU 118 -5.653 -3.136 7.300 853 HD11 LEU 118 1HD1 LEU 118 -6.766 -5.292 7.739 854 HD12 LEU 118 2HD1 LEU 118 -7.499 -4.004 8.696 855 HD13 LEU 118 3HD1 LEU 118 -6.386 -5.143 9.455 856 HD21 LEU 118 1HD2 LEU 118 -5.200 -3.218 10.294 857 HD22 LEU 118 2HD2 LEU 118 -6.021 -1.964 9.365 858 HD23 LEU 118 3HD2 LEU 118 -4.275 -2.174 9.215 859 H SER 119 H SER 119 -3.723 -6.384 5.850 860 HA SER 119 HA SER 119 -5.470 -5.520 3.623 861 HB2 SER 119 2HB SER 119 -3.059 -7.292 3.601 862 HB3 SER 119 1HB SER 119 -4.368 -7.606 2.466 863 HG SER 119 HG SER 119 -4.170 -5.442 1.768 864 H TYR 120 H TYR 120 -7.032 -7.041 2.928 865 HA TYR 120 HA TYR 120 -7.431 -9.425 4.586 866 HB2 TYR 120 2HB TYR 120 -8.715 -7.171 5.335 867 HB3 TYR 120 1HB TYR 120 -9.864 -7.791 4.150 868 HD1 TYR 120 1HD TYR 120 -10.123 -10.503 4.314 869 HD2 TYR 120 2HD TYR 120 -9.067 -7.865 7.536 870 HE1 TYR 120 1HE TYR 120 -10.924 -12.182 5.951 871 HE2 TYR 120 2HE TYR 120 -9.869 -9.546 9.174 872 HH TYR 120 HH TYR 120 -11.770 -12.192 8.308 873 H ARG 121 H ARG 121 -7.592 -11.010 3.137 874 HA ARG 121 HA ARG 121 -8.269 -10.638 0.414 875 HB2 ARG 121 2HB ARG 121 -8.169 -13.027 0.230 876 HB3 ARG 121 1HB ARG 121 -6.916 -12.540 1.374 877 HG2 ARG 121 2HG ARG 121 -8.685 -12.938 3.205 878 HG3 ARG 121 1HG ARG 121 -9.602 -13.790 1.962 879 HD2 ARG 121 2HD ARG 121 -6.753 -14.432 2.778 880 HD3 ARG 121 1HD ARG 121 -8.180 -15.339 3.274 881 HE ARG 121 HE ARG 121 -6.863 -15.475 0.713 882 HH11 ARG 121 1HH1 ARG 121 -7.771 -16.913 -0.792 883 HH12 ARG 121 2HH1 ARG 121 -9.371 -17.527 -0.538 884 HH21 ARG 121 1HH2 ARG 121 -9.851 -15.799 2.429 885 HH22 ARG 121 2HH2 ARG 121 -10.549 -16.897 1.285 886 H ILE 122 H ILE 122 -10.153 -10.926 -0.705 887 HA ILE 122 HA ILE 122 -12.606 -10.956 0.897 888 HB ILE 122 HB ILE 122 -12.213 -10.432 -2.060 889 HG12 ILE 122 2HG1 ILE 122 -12.760 -8.442 0.159 890 HG13 ILE 122 1HG1 ILE 122 -11.132 -8.799 -0.422 891 HG21 ILE 122 1HG2 ILE 122 -14.546 -10.882 -0.421 892 HG22 ILE 122 2HG2 ILE 122 -14.460 -10.569 -2.154 893 HG23 ILE 122 3HG2 ILE 122 -14.551 -9.223 -1.017 894 HD11 ILE 122 1HD1 ILE 122 -13.402 -7.887 -2.212 895 HD12 ILE 122 2HD1 ILE 122 -11.707 -8.074 -2.662 896 HD13 ILE 122 3HD1 ILE 122 -12.185 -6.804 -1.536 897 H GLN 123 H GLN 123 -11.477 -12.472 -2.138 898 HA GLN 123 HA GLN 123 -12.779 -14.967 -1.294 899 HB2 GLN 123 2HB GLN 123 -13.511 -15.156 -3.792 900 HB3 GLN 123 1HB GLN 123 -14.472 -14.164 -2.695 901 HG2 GLN 123 2HG GLN 123 -13.862 -12.218 -3.714 902 HG3 GLN 123 1HG GLN 123 -12.214 -12.772 -4.007 903 HE21 GLN 123 1HE2 GLN 123 -12.100 -14.614 -5.765 904 HE22 GLN 123 2HE2 GLN 123 -13.107 -14.407 -7.116 905 HA PRO 124 HA PRO 124 -9.015 -16.718 -2.848 906 HB2 PRO 124 2HB PRO 124 -9.844 -19.220 -3.597 907 HB3 PRO 124 1HB PRO 124 -9.609 -18.732 -1.909 908 HG2 PRO 124 2HG PRO 124 -12.123 -18.962 -3.481 909 HG3 PRO 124 1HG PRO 124 -11.806 -19.370 -1.786 910 HD2 PRO 124 2HD PRO 124 -13.083 -17.073 -2.546 911 HD3 PRO 124 1HD PRO 124 -12.115 -17.199 -1.062 Start of MODEL 14 1 H1 MET 1 1HT MET 1 0.284 -20.739 -2.846 2 H2 MET 1 2HT MET 1 0.484 -20.878 -4.527 3 H3 MET 1 3HT MET 1 1.460 -21.787 -3.475 4 HA MET 1 HA MET 1 -0.004 -23.411 -3.960 5 HB2 MET 1 2HB MET 1 -1.496 -21.748 -1.909 6 HB3 MET 1 1HB MET 1 -1.854 -23.434 -2.285 7 HG2 MET 1 2HG MET 1 0.899 -22.522 -1.433 8 HG3 MET 1 1HG MET 1 -0.325 -23.034 -0.271 9 HE1 MET 1 1HE MET 1 0.418 -25.195 0.759 10 HE2 MET 1 2HE MET 1 -0.158 -26.624 -0.097 11 HE3 MET 1 3HE MET 1 -1.217 -25.227 0.082 12 H GLN 2 H GLN 2 -2.854 -21.735 -3.140 13 HA GLN 2 HA GLN 2 -3.916 -22.092 -5.810 14 HB2 GLN 2 2HB GLN 2 -5.184 -20.898 -3.331 15 HB3 GLN 2 1HB GLN 2 -6.031 -21.324 -4.819 16 HG2 GLN 2 2HG GLN 2 -4.416 -23.323 -3.221 17 HG3 GLN 2 1HG GLN 2 -6.142 -23.065 -2.968 18 HE21 GLN 2 1HE2 GLN 2 -4.197 -25.214 -4.431 19 HE22 GLN 2 2HE2 GLN 2 -5.124 -25.602 -5.798 20 H ASP 3 H ASP 3 -5.555 -19.524 -4.729 21 HA ASP 3 HA ASP 3 -5.725 -17.344 -5.443 22 HB2 ASP 3 2HB ASP 3 -4.109 -16.643 -3.956 23 HB3 ASP 3 1HB ASP 3 -2.861 -17.668 -4.662 24 H GLY 4 H GLY 4 -6.390 -17.192 -7.502 25 HA2 GLY 4 2HA GLY 4 -4.478 -17.763 -9.672 26 HA3 GLY 4 1HA GLY 4 -6.229 -17.682 -9.841 27 HA PRO 5 HA PRO 5 -4.191 -13.568 -10.953 28 HB2 PRO 5 2HB PRO 5 -4.593 -13.644 -13.653 29 HB3 PRO 5 1HB PRO 5 -3.134 -14.282 -12.871 30 HG2 PRO 5 2HG PRO 5 -5.515 -15.728 -13.907 31 HG3 PRO 5 1HG PRO 5 -3.805 -16.188 -13.948 32 HD2 PRO 5 2HD PRO 5 -5.617 -17.213 -12.140 33 HD3 PRO 5 1HD PRO 5 -3.868 -17.118 -11.843 34 H GLY 6 H GLY 6 -5.451 -11.773 -10.921 35 HA2 GLY 6 2HA GLY 6 -7.269 -10.429 -11.725 36 HA3 GLY 6 1HA GLY 6 -8.166 -11.907 -12.059 37 H THR 7 H THR 7 -6.503 -11.990 -9.101 38 HA THR 7 HA THR 7 -8.942 -12.088 -7.597 39 HB THR 7 HB THR 7 -6.486 -11.732 -6.045 40 HG1 THR 7 1HG THR 7 -6.678 -13.700 -8.067 41 HG21 THR 7 1HG2 THR 7 -8.351 -14.099 -6.331 42 HG22 THR 7 2HG2 THR 7 -8.685 -12.716 -5.290 43 HG23 THR 7 3HG2 THR 7 -7.282 -13.740 -4.975 44 H LEU 8 H LEU 8 -9.328 -10.741 -5.662 45 HA LEU 8 HA LEU 8 -8.269 -8.000 -5.897 46 HB2 LEU 8 2HB LEU 8 -11.199 -8.693 -5.571 47 HB3 LEU 8 1HB LEU 8 -10.510 -7.069 -5.613 48 HG LEU 8 HG LEU 8 -9.482 -8.089 -7.912 49 HD11 LEU 8 1HD1 LEU 8 -12.244 -9.306 -7.610 50 HD12 LEU 8 2HD1 LEU 8 -10.735 -10.218 -7.585 51 HD13 LEU 8 3HD1 LEU 8 -11.229 -9.370 -9.051 52 HD21 LEU 8 1HD2 LEU 8 -11.327 -6.867 -9.053 53 HD22 LEU 8 2HD2 LEU 8 -10.677 -5.957 -7.688 54 HD23 LEU 8 3HD2 LEU 8 -12.209 -6.814 -7.526 55 H ASP 9 H ASP 9 -7.876 -7.015 -3.978 56 HA ASP 9 HA ASP 9 -8.928 -8.258 -1.521 57 HB2 ASP 9 2HB ASP 9 -6.086 -7.315 -1.599 58 HB3 ASP 9 1HB ASP 9 -6.842 -8.496 -0.530 59 H VAL 10 H VAL 10 -8.993 -6.864 0.300 60 HA VAL 10 HA VAL 10 -8.938 -3.993 -0.413 61 HB VAL 10 HB VAL 10 -10.577 -5.443 1.681 62 HG11 VAL 10 1HG1 VAL 10 -10.172 -3.283 2.553 63 HG12 VAL 10 2HG1 VAL 10 -11.717 -3.119 1.715 64 HG13 VAL 10 3HG1 VAL 10 -10.235 -2.533 0.956 65 HG21 VAL 10 1HG2 VAL 10 -12.398 -5.239 0.236 66 HG22 VAL 10 2HG2 VAL 10 -11.093 -5.565 -0.905 67 HG23 VAL 10 3HG2 VAL 10 -11.664 -3.914 -0.665 68 H PHE 11 H PHE 11 -7.755 -2.602 0.807 69 HA PHE 11 HA PHE 11 -6.700 -3.446 3.391 70 HB2 PHE 11 2HB PHE 11 -4.401 -3.262 2.821 71 HB3 PHE 11 1HB PHE 11 -5.117 -4.282 1.574 72 HD1 PHE 11 1HD PHE 11 -5.942 -3.109 -0.587 73 HD2 PHE 11 2HD PHE 11 -3.247 -1.303 2.229 74 HE1 PHE 11 1HE PHE 11 -5.202 -1.503 -2.325 75 HE2 PHE 11 2HE PHE 11 -2.507 0.303 0.490 76 HZ PHE 11 HZ PHE 11 -3.485 0.203 -1.787 77 H VAL 12 H VAL 12 -6.128 -1.754 4.706 78 HA VAL 12 HA VAL 12 -6.691 0.949 3.648 79 HB VAL 12 HB VAL 12 -8.238 0.391 5.396 80 HG11 VAL 12 1HG1 VAL 12 -5.865 -0.935 6.511 81 HG12 VAL 12 2HG1 VAL 12 -7.573 -1.299 6.753 82 HG13 VAL 12 3HG1 VAL 12 -6.796 -0.040 7.711 83 HG21 VAL 12 1HG2 VAL 12 -6.080 1.963 6.811 84 HG22 VAL 12 2HG2 VAL 12 -7.830 2.171 6.905 85 HG23 VAL 12 3HG2 VAL 12 -6.962 2.643 5.444 86 H ALA 13 H ALA 13 -5.378 2.712 4.512 87 HA ALA 13 HA ALA 13 -2.893 2.042 5.825 88 HB1 ALA 13 1HB ALA 13 -3.057 2.348 2.936 89 HB2 ALA 13 2HB ALA 13 -1.708 1.801 3.930 90 HB3 ALA 13 3HB ALA 13 -1.964 3.525 3.662 91 H ALA 14 H ALA 14 -2.879 3.508 7.329 92 HA ALA 14 HA ALA 14 -3.485 6.321 6.642 93 HB1 ALA 14 1HB ALA 14 -5.088 6.201 8.215 94 HB2 ALA 14 2HB ALA 14 -3.791 6.068 9.402 95 HB3 ALA 14 3HB ALA 14 -4.540 4.613 8.747 96 H GLY 15 H GLY 15 -1.897 7.747 7.013 97 HA2 GLY 15 2HA GLY 15 0.319 6.957 8.811 98 HA3 GLY 15 1HA GLY 15 0.631 7.642 7.220 99 H TRP 16 H TRP 16 1.815 9.004 9.064 100 HA TRP 16 HA TRP 16 0.146 11.410 9.439 101 HB2 TRP 16 2HB TRP 16 2.180 10.606 11.500 102 HB3 TRP 16 1HB TRP 16 0.808 11.701 11.662 103 HD1 TRP 16 HD TRP 16 1.367 7.945 10.882 104 HE1 TRP 16 1HE TRP 16 -0.507 6.603 12.038 105 HE3 TRP 16 3HE TRP 16 -1.318 11.772 12.935 106 HZ2 TRP 16 2HZ TRP 16 -2.835 7.091 13.626 107 HZ3 TRP 16 3HZ TRP 16 -3.357 11.307 14.264 108 HH2 TRP 16 HH TRP 16 -4.119 8.972 14.612 109 H ASN 17 H ASN 17 1.110 13.252 8.802 110 HA ASN 17 HA ASN 17 3.907 13.080 7.903 111 HB2 ASN 17 2HB ASN 17 2.230 15.460 7.295 112 HB3 ASN 17 1HB ASN 17 3.400 14.615 6.282 113 HD21 ASN 17 1HD2 ASN 17 2.325 11.952 6.533 114 HD22 ASN 17 2HD2 ASN 17 0.813 11.926 5.763 115 H THR 18 H THR 18 5.459 14.552 8.557 116 HA THR 18 HA THR 18 5.473 15.440 11.172 117 HB THR 18 HB THR 18 6.960 17.056 9.152 118 HG1 THR 18 1HG THR 18 7.383 14.310 9.710 119 HG21 THR 18 1HG2 THR 18 8.749 16.792 10.783 120 HG22 THR 18 2HG2 THR 18 7.793 15.615 11.683 121 HG23 THR 18 3HG2 THR 18 7.278 17.301 11.615 122 H ASP 19 H ASP 19 3.848 16.795 8.478 123 HA ASP 19 HA ASP 19 3.706 19.504 9.366 124 HB2 ASP 19 2HB ASP 19 3.261 18.671 7.015 125 HB3 ASP 19 1HB ASP 19 1.712 18.072 7.606 126 H ASN 20 H ASN 20 2.783 16.985 11.042 127 HA ASN 20 HA ASN 20 1.261 16.596 12.717 128 HB2 ASN 20 2HB ASN 20 1.983 18.976 13.266 129 HB3 ASN 20 1HB ASN 20 0.508 19.508 12.460 130 HD21 ASN 20 1HD2 ASN 20 1.588 17.263 15.068 131 HD22 ASN 20 2HD2 ASN 20 0.186 17.453 16.007 132 H THR 21 H THR 21 0.386 15.821 10.268 133 HA THR 21 HA THR 21 -2.500 16.364 10.460 134 HB THR 21 HB THR 21 -1.341 17.740 8.613 135 HG1 THR 21 1HG THR 21 -3.167 16.247 7.280 136 HG21 THR 21 1HG2 THR 21 -1.502 15.231 6.993 137 HG22 THR 21 2HG2 THR 21 -0.061 15.506 7.974 138 HG23 THR 21 3HG2 THR 21 -0.519 16.672 6.733 139 H ILE 22 H ILE 22 -3.824 14.656 9.825 140 HA ILE 22 HA ILE 22 -2.438 12.064 9.603 141 HB ILE 22 HB ILE 22 -4.006 12.315 11.484 142 HG12 ILE 22 2HG1 ILE 22 -5.156 10.491 9.351 143 HG13 ILE 22 1HG1 ILE 22 -3.703 10.117 10.276 144 HG21 ILE 22 1HG2 ILE 22 -5.492 13.826 9.752 145 HG22 ILE 22 2HG2 ILE 22 -6.111 13.155 11.260 146 HG23 ILE 22 3HG2 ILE 22 -6.388 12.306 9.739 147 HD11 ILE 22 1HD1 ILE 22 -5.676 9.063 11.305 148 HD12 ILE 22 2HD1 ILE 22 -6.454 10.641 11.441 149 HD13 ILE 22 3HD1 ILE 22 -4.999 10.292 12.375 150 H GLU 23 H GLU 23 -2.381 11.088 7.690 151 HA GLU 23 HA GLU 23 -4.279 11.938 5.601 152 HB2 GLU 23 2HB GLU 23 -2.692 11.224 3.998 153 HB3 GLU 23 1HB GLU 23 -1.743 12.034 5.245 154 HG2 GLU 23 2HG GLU 23 -1.518 9.680 6.310 155 HG3 GLU 23 1HG GLU 23 -2.041 9.077 4.737 156 H ILE 24 H ILE 24 -5.858 10.619 4.974 157 HA ILE 24 HA ILE 24 -5.768 7.801 5.855 158 HB ILE 24 HB ILE 24 -8.176 9.411 4.984 159 HG12 ILE 24 2HG1 ILE 24 -7.218 8.746 7.789 160 HG13 ILE 24 1HG1 ILE 24 -7.086 10.336 7.037 161 HG21 ILE 24 1HG2 ILE 24 -9.420 7.585 6.056 162 HG22 ILE 24 2HG2 ILE 24 -7.908 6.794 6.497 163 HG23 ILE 24 3HG2 ILE 24 -8.364 6.942 4.798 164 HD11 ILE 24 1HD1 ILE 24 -9.663 8.828 7.569 165 HD12 ILE 24 2HD1 ILE 24 -9.553 10.387 6.752 166 HD13 ILE 24 3HD1 ILE 24 -9.089 10.245 8.449 167 H THR 25 H THR 25 -5.721 6.203 4.389 168 HA THR 25 HA THR 25 -6.504 6.765 1.613 169 HB THR 25 HB THR 25 -4.471 5.976 0.679 170 HG1 THR 25 1HG THR 25 -2.824 5.414 2.500 171 HG21 THR 25 1HG2 THR 25 -4.384 8.291 1.591 172 HG22 THR 25 2HG2 THR 25 -2.804 7.509 1.593 173 HG23 THR 25 3HG2 THR 25 -3.720 7.649 3.094 174 H GLY 26 H GLY 26 -7.464 5.070 0.615 175 HA2 GLY 26 2HA GLY 26 -7.127 2.354 1.592 176 HA3 GLY 26 1HA GLY 26 -8.727 3.044 1.851 177 H GLY 27 H GLY 27 -7.746 0.815 0.092 178 HA2 GLY 27 2HA GLY 27 -9.428 1.328 -2.143 179 HA3 GLY 27 1HA GLY 27 -7.735 1.465 -2.611 180 H ALA 28 H ALA 28 -7.799 -0.361 -3.944 181 HA ALA 28 HA ALA 28 -7.787 -2.919 -2.481 182 HB1 ALA 28 1HB ALA 28 -9.972 -2.564 -3.718 183 HB2 ALA 28 2HB ALA 28 -9.078 -4.018 -4.167 184 HB3 ALA 28 3HB ALA 28 -9.038 -2.597 -5.213 185 H THR 29 H THR 29 -6.832 -4.686 -3.930 186 HA THR 29 HA THR 29 -4.688 -3.585 -5.643 187 HB THR 29 HB THR 29 -3.125 -5.213 -4.687 188 HG1 THR 29 1HG THR 29 -3.750 -6.599 -3.152 189 HG21 THR 29 1HG2 THR 29 -2.626 -3.950 -2.819 190 HG22 THR 29 2HG2 THR 29 -4.302 -3.906 -2.271 191 HG23 THR 29 3HG2 THR 29 -3.781 -2.870 -3.600 192 H TYR 30 H TYR 30 -4.077 -4.850 -7.385 193 HA TYR 30 HA TYR 30 -5.953 -7.028 -8.049 194 HB2 TYR 30 2HB TYR 30 -4.779 -4.843 -9.547 195 HB3 TYR 30 1HB TYR 30 -4.437 -6.391 -10.319 196 HD1 TYR 30 1HD TYR 30 -6.350 -7.969 -10.823 197 HD2 TYR 30 2HD TYR 30 -6.968 -3.908 -9.568 198 HE1 TYR 30 1HE TYR 30 -8.680 -8.064 -11.665 199 HE2 TYR 30 2HE TYR 30 -9.299 -4.003 -10.409 200 HH TYR 30 HH TYR 30 -10.999 -6.396 -10.842 201 H GLN 31 H GLN 31 -5.211 -9.026 -7.775 202 HA GLN 31 HA GLN 31 -2.322 -9.511 -7.734 203 HB2 GLN 31 2HB GLN 31 -4.015 -10.390 -5.979 204 HB3 GLN 31 1HB GLN 31 -4.438 -11.583 -7.207 205 HG2 GLN 31 2HG GLN 31 -2.733 -12.740 -6.184 206 HG3 GLN 31 1HG GLN 31 -1.771 -11.813 -7.333 207 HE21 GLN 31 1HE2 GLN 31 -2.343 -9.259 -5.758 208 HE22 GLN 31 2HE2 GLN 31 -1.316 -9.359 -4.410 209 H LEU 32 H LEU 32 -1.609 -9.617 -9.815 210 HA LEU 32 HA LEU 32 -3.069 -11.298 -11.730 211 HB2 LEU 32 2HB LEU 32 -1.041 -9.118 -11.943 212 HB3 LEU 32 1HB LEU 32 -1.094 -10.333 -13.222 213 HG LEU 32 HG LEU 32 -3.463 -9.891 -13.601 214 HD11 LEU 32 1HD1 LEU 32 -4.347 -7.770 -12.321 215 HD12 LEU 32 2HD1 LEU 32 -3.109 -8.201 -11.140 216 HD13 LEU 32 3HD1 LEU 32 -4.394 -9.344 -11.528 217 HD21 LEU 32 1HD2 LEU 32 -2.961 -8.120 -14.917 218 HD22 LEU 32 2HD2 LEU 32 -1.368 -8.136 -14.160 219 HD23 LEU 32 3HD2 LEU 32 -2.636 -7.089 -13.523 220 H SER 33 H SER 33 0.397 -10.768 -11.752 221 HA SER 33 HA SER 33 0.788 -13.687 -11.650 222 HB2 SER 33 2HB SER 33 3.187 -12.384 -12.382 223 HB3 SER 33 1HB SER 33 2.118 -13.330 -13.415 224 HG SER 33 HG SER 33 2.543 -11.020 -13.970 225 HA PRO 34 HA PRO 34 2.945 -13.483 -7.826 226 HB2 PRO 34 2HB PRO 34 5.063 -15.181 -8.218 227 HB3 PRO 34 1HB PRO 34 3.394 -15.732 -7.985 228 HG2 PRO 34 2HG PRO 34 4.967 -15.464 -10.493 229 HG3 PRO 34 1HG PRO 34 3.799 -16.707 -10.018 230 HD2 PRO 34 2HD PRO 34 3.189 -14.662 -11.737 231 HD3 PRO 34 1HD PRO 34 1.984 -15.455 -10.699 232 H TYR 35 H TYR 35 4.354 -12.289 -10.640 233 HA TYR 35 HA TYR 35 6.950 -11.595 -9.649 234 HB2 TYR 35 2HB TYR 35 5.304 -10.835 -12.036 235 HB3 TYR 35 1HB TYR 35 6.745 -9.898 -11.640 236 HD1 TYR 35 1HD TYR 35 8.974 -11.032 -11.503 237 HD2 TYR 35 2HD TYR 35 5.461 -13.058 -12.919 238 HE1 TYR 35 1HE TYR 35 10.398 -12.797 -12.508 239 HE2 TYR 35 2HE TYR 35 6.884 -14.823 -13.923 240 HH TYR 35 HH TYR 35 9.653 -15.594 -13.183 241 H ILE 36 H ILE 36 5.020 -9.028 -10.966 242 HA ILE 36 HA ILE 36 5.403 -7.508 -8.469 243 HB ILE 36 HB ILE 36 4.525 -6.219 -11.016 244 HG12 ILE 36 2HG1 ILE 36 7.237 -7.424 -10.458 245 HG13 ILE 36 1HG1 ILE 36 6.265 -7.543 -11.927 246 HG21 ILE 36 1HG2 ILE 36 5.557 -4.338 -10.098 247 HG22 ILE 36 2HG2 ILE 36 6.678 -5.299 -9.133 248 HG23 ILE 36 3HG2 ILE 36 4.987 -5.167 -8.650 249 HD11 ILE 36 1HD1 ILE 36 6.534 -4.910 -11.936 250 HD12 ILE 36 2HD1 ILE 36 7.819 -5.939 -12.571 251 HD13 ILE 36 3HD1 ILE 36 7.949 -5.264 -10.946 252 H MET 37 H MET 37 3.704 -6.371 -7.524 253 HA MET 37 HA MET 37 1.020 -7.330 -8.282 254 HB2 MET 37 2HB MET 37 1.801 -5.993 -5.689 255 HB3 MET 37 1HB MET 37 0.358 -6.950 -6.027 256 HG2 MET 37 2HG MET 37 2.412 -8.682 -6.690 257 HG3 MET 37 1HG MET 37 3.048 -7.840 -5.277 258 HE1 MET 37 1HE MET 37 3.089 -10.165 -3.988 259 HE2 MET 37 2HE MET 37 2.498 -10.882 -5.486 260 HE3 MET 37 3HE MET 37 1.711 -11.274 -3.958 261 H VAL 38 H VAL 38 -0.773 -5.798 -8.048 262 HA VAL 38 HA VAL 38 0.035 -3.086 -8.896 263 HB VAL 38 HB VAL 38 -2.438 -4.728 -9.438 264 HG11 VAL 38 1HG1 VAL 38 -3.031 -2.575 -10.799 265 HG12 VAL 38 2HG1 VAL 38 -1.952 -1.765 -9.662 266 HG13 VAL 38 3HG1 VAL 38 -3.382 -2.612 -9.070 267 HG21 VAL 38 1HG2 VAL 38 -1.777 -4.438 -11.753 268 HG22 VAL 38 2HG2 VAL 38 -0.374 -5.021 -10.855 269 HG23 VAL 38 3HG2 VAL 38 -0.497 -3.315 -11.292 270 H LYS 39 H LYS 39 -0.766 -1.296 -7.870 271 HA LYS 39 HA LYS 39 -2.648 -1.700 -5.640 272 HB2 LYS 39 2HB LYS 39 -0.427 -1.728 -4.632 273 HB3 LYS 39 1HB LYS 39 -0.008 -0.228 -5.459 274 HG2 LYS 39 2HG LYS 39 -2.511 -0.035 -3.946 275 HG3 LYS 39 1HG LYS 39 -1.117 -0.402 -2.929 276 HD2 LYS 39 2HD LYS 39 0.093 1.521 -3.824 277 HD3 LYS 39 1HD LYS 39 -1.226 1.860 -4.945 278 HE2 LYS 39 2HE LYS 39 -1.507 1.852 -1.927 279 HE3 LYS 39 1HE LYS 39 -1.294 3.305 -2.904 280 HZ1 LYS 39 1HZ LYS 39 -3.497 1.353 -3.285 281 HZ2 LYS 39 2HZ LYS 39 -3.323 2.864 -4.043 282 HZ3 LYS 39 3HZ LYS 39 -3.639 2.779 -2.376 283 H ALA 40 H ALA 40 -4.203 -0.200 -5.583 284 HA ALA 40 HA ALA 40 -3.734 2.487 -6.599 285 HB1 ALA 40 1HB ALA 40 -5.743 0.616 -7.869 286 HB2 ALA 40 2HB ALA 40 -4.354 1.370 -8.651 287 HB3 ALA 40 3HB ALA 40 -5.715 2.361 -8.123 288 H GLY 41 H GLY 41 -4.965 3.968 -5.560 289 HA2 GLY 41 2HA GLY 41 -7.508 3.335 -4.375 290 HA3 GLY 41 1HA GLY 41 -6.225 3.486 -3.177 291 H TYR 42 H TYR 42 -7.499 5.307 -2.373 292 HA TYR 42 HA TYR 42 -6.798 7.789 -3.803 293 HB2 TYR 42 2HB TYR 42 -9.197 8.394 -2.563 294 HB3 TYR 42 1HB TYR 42 -8.978 8.085 -4.285 295 HD1 TYR 42 1HD TYR 42 -9.762 6.459 -1.027 296 HD2 TYR 42 2HD TYR 42 -9.850 6.123 -5.309 297 HE1 TYR 42 1HE TYR 42 -11.150 4.412 -0.838 298 HE2 TYR 42 2HE TYR 42 -11.239 4.076 -5.119 299 HH TYR 42 HH TYR 42 -11.524 2.292 -2.445 300 H GLY 43 H GLY 43 -6.906 9.708 -2.371 301 HA2 GLY 43 2HA GLY 43 -6.567 9.065 0.488 302 HA3 GLY 43 1HA GLY 43 -5.310 9.964 -0.357 303 H TRP 44 H TRP 44 -7.173 10.689 1.894 304 HA TRP 44 HA TRP 44 -7.731 13.367 1.017 305 HB2 TRP 44 2HB TRP 44 -10.015 13.365 0.858 306 HB3 TRP 44 1HB TRP 44 -9.720 11.709 0.326 307 HD1 TRP 44 HD TRP 44 -10.945 13.735 3.314 308 HE1 TRP 44 1HE TRP 44 -12.122 12.150 4.971 309 HE3 TRP 44 3HE TRP 44 -9.845 9.238 1.162 310 HZ2 TRP 44 2HZ TRP 44 -12.543 9.344 5.336 311 HZ3 TRP 44 3HZ TRP 44 -10.644 7.126 2.183 312 HH2 TRP 44 HH TRP 44 -11.991 7.173 4.266 313 H ASN 45 H ASN 45 -8.713 14.670 2.797 314 HA ASN 45 HA ASN 45 -8.686 13.543 5.461 315 HB2 ASN 45 2HB ASN 45 -6.300 13.845 5.174 316 HB3 ASN 45 1HB ASN 45 -6.540 15.494 4.596 317 HD21 ASN 45 1HD2 ASN 45 -4.964 15.760 6.611 318 HD22 ASN 45 2HD2 ASN 45 -5.732 16.057 8.096 319 H ASN 46 H ASN 46 -7.729 16.839 4.907 320 HA ASN 46 HA ASN 46 -10.504 17.769 5.227 321 HB2 ASN 46 2HB ASN 46 -8.241 18.149 7.113 322 HB3 ASN 46 1HB ASN 46 -9.265 19.550 6.808 323 HD21 ASN 46 1HD2 ASN 46 -9.693 16.019 7.465 324 HD22 ASN 46 2HD2 ASN 46 -11.016 16.234 8.507 325 H SER 47 H SER 47 -10.503 18.522 3.104 326 HA SER 47 HA SER 47 -9.408 21.129 2.712 327 HB2 SER 47 2HB SER 47 -7.407 19.619 2.291 328 HB3 SER 47 1HB SER 47 -8.280 18.997 0.894 329 HG SER 47 HG SER 47 -8.021 20.858 -0.109 330 H SER 48 H SER 48 -9.253 20.265 -0.289 331 HA SER 48 HA SER 48 -12.127 19.918 -0.802 332 HB2 SER 48 2HB SER 48 -12.350 21.848 -2.092 333 HB3 SER 48 1HB SER 48 -11.345 22.408 -0.759 334 HG SER 48 HG SER 48 -9.552 21.689 -2.255 335 H LEU 49 H LEU 49 -8.804 19.714 -1.800 336 HA LEU 49 HA LEU 49 -9.488 18.567 -4.399 337 HB2 LEU 49 2HB LEU 49 -6.932 18.331 -4.525 338 HB3 LEU 49 1HB LEU 49 -7.588 19.968 -4.501 339 HG LEU 49 HG LEU 49 -7.094 18.840 -1.826 340 HD11 LEU 49 1HD1 LEU 49 -4.599 19.325 -2.063 341 HD12 LEU 49 2HD1 LEU 49 -4.846 19.266 -3.809 342 HD13 LEU 49 3HD1 LEU 49 -5.163 17.838 -2.825 343 HD21 LEU 49 1HD2 LEU 49 -7.717 21.203 -2.312 344 HD22 LEU 49 2HD2 LEU 49 -6.208 21.396 -3.206 345 HD23 LEU 49 3HD2 LEU 49 -6.172 21.084 -1.471 346 H ASN 50 H ASN 50 -7.801 16.602 -4.863 347 HA ASN 50 HA ASN 50 -7.912 14.679 -2.648 348 HB2 ASN 50 2HB ASN 50 -8.673 13.103 -4.758 349 HB3 ASN 50 1HB ASN 50 -9.766 13.746 -3.535 350 HD21 ASN 50 1HD2 ASN 50 -11.030 15.685 -4.101 351 HD22 ASN 50 2HD2 ASN 50 -11.229 16.142 -5.724 352 H ARG 51 H ARG 51 -6.758 12.603 -3.297 353 HA ARG 51 HA ARG 51 -4.655 13.067 -5.301 354 HB2 ARG 51 2HB ARG 51 -3.255 11.840 -3.286 355 HB3 ARG 51 1HB ARG 51 -3.219 13.569 -3.632 356 HG2 ARG 51 2HG ARG 51 -4.917 14.018 -1.997 357 HG3 ARG 51 1HG ARG 51 -5.259 12.300 -1.792 358 HD2 ARG 51 2HD ARG 51 -2.643 13.663 -1.098 359 HD3 ARG 51 1HD ARG 51 -3.871 13.162 0.060 360 HE ARG 51 HE ARG 51 -3.302 10.866 -1.312 361 HH11 ARG 51 1HH1 ARG 51 -1.667 9.419 -0.682 362 HH12 ARG 51 2HH1 ARG 51 -0.322 9.990 0.247 363 HH21 ARG 51 1HH2 ARG 51 -1.447 13.270 0.350 364 HH22 ARG 51 2HH2 ARG 51 -0.198 12.170 0.831 365 H PHE 52 H PHE 52 -4.443 11.347 -6.571 366 HA PHE 52 HA PHE 52 -5.540 8.771 -5.655 367 HB2 PHE 52 2HB PHE 52 -5.818 10.191 -8.057 368 HB3 PHE 52 1HB PHE 52 -4.752 8.839 -8.437 369 HD1 PHE 52 1HD PHE 52 -5.606 6.646 -8.653 370 HD2 PHE 52 2HD PHE 52 -8.003 9.698 -6.813 371 HE1 PHE 52 1HE PHE 52 -7.550 5.107 -8.636 372 HE2 PHE 52 2HE PHE 52 -9.948 8.159 -6.795 373 HZ PHE 52 HZ PHE 52 -9.721 5.863 -7.705 374 H GLU 53 H GLU 53 -4.202 7.175 -5.123 375 HA GLU 53 HA GLU 53 -1.349 7.442 -5.766 376 HB2 GLU 53 2HB GLU 53 -2.653 6.712 -3.445 377 HB3 GLU 53 1HB GLU 53 -2.143 5.161 -4.113 378 HG2 GLU 53 2HG GLU 53 -0.326 5.935 -2.763 379 HG3 GLU 53 1HG GLU 53 0.159 6.195 -4.438 380 H PHE 54 H PHE 54 -0.432 6.264 -7.323 381 HA PHE 54 HA PHE 54 -1.646 3.690 -8.077 382 HB2 PHE 54 2HB PHE 54 -2.361 5.654 -9.600 383 HB3 PHE 54 1HB PHE 54 -0.700 5.613 -10.190 384 HD1 PHE 54 1HD PHE 54 -3.900 3.813 -10.032 385 HD2 PHE 54 2HD PHE 54 0.167 3.666 -11.404 386 HE1 PHE 54 1HE PHE 54 -4.462 1.890 -11.493 387 HE2 PHE 54 2HE PHE 54 -0.394 1.743 -12.865 388 HZ PHE 54 HZ PHE 54 -2.710 0.854 -12.910 389 H GLY 55 H GLY 55 -0.169 2.128 -8.257 390 HA2 GLY 55 2HA GLY 55 2.374 2.384 -9.435 391 HA3 GLY 55 1HA GLY 55 2.557 2.527 -7.689 392 H GLY 56 H GLY 56 3.667 0.587 -7.445 393 HA2 GLY 56 2HA GLY 56 1.973 -1.794 -7.454 394 HA3 GLY 56 1HA GLY 56 3.428 -1.866 -8.444 395 H GLY 57 H GLY 57 2.774 -3.474 -6.109 396 HA2 GLY 57 2HA GLY 57 4.750 -2.535 -4.131 397 HA3 GLY 57 1HA GLY 57 3.510 -3.749 -3.838 398 H LEU 58 H LEU 58 6.070 -4.317 -3.109 399 HA LEU 58 HA LEU 58 6.814 -6.410 -5.052 400 HB2 LEU 58 2HB LEU 58 8.339 -4.150 -4.665 401 HB3 LEU 58 1HB LEU 58 9.066 -5.297 -3.539 402 HG LEU 58 HG LEU 58 9.060 -6.981 -5.464 403 HD11 LEU 58 1HD1 LEU 58 8.286 -6.383 -7.499 404 HD12 LEU 58 2HD1 LEU 58 9.186 -4.866 -7.468 405 HD13 LEU 58 3HD1 LEU 58 7.591 -4.961 -6.721 406 HD21 LEU 58 1HD2 LEU 58 11.159 -6.076 -4.842 407 HD22 LEU 58 2HD2 LEU 58 10.738 -4.469 -5.436 408 HD23 LEU 58 3HD2 LEU 58 11.058 -5.776 -6.578 409 H GLN 59 H GLN 59 6.998 -8.365 -4.162 410 HA GLN 59 HA GLN 59 7.601 -8.595 -1.291 411 HB2 GLN 59 2HB GLN 59 5.458 -10.324 -2.474 412 HB3 GLN 59 1HB GLN 59 5.733 -9.879 -0.788 413 HG2 GLN 59 2HG GLN 59 5.164 -7.490 -1.450 414 HG3 GLN 59 1HG GLN 59 4.629 -8.135 -3.000 415 HE21 GLN 59 1HE2 GLN 59 2.436 -8.619 -3.058 416 HE22 GLN 59 2HE2 GLN 59 1.495 -9.039 -1.710 417 H TYR 60 H TYR 60 8.176 -10.834 -0.679 418 HA TYR 60 HA TYR 60 9.336 -12.352 -2.940 419 HB2 TYR 60 2HB TYR 60 10.639 -11.169 -0.620 420 HB3 TYR 60 1HB TYR 60 10.927 -12.905 -0.727 421 HD1 TYR 60 1HD TYR 60 12.942 -13.400 -1.799 422 HD2 TYR 60 2HD TYR 60 10.549 -10.130 -3.232 423 HE1 TYR 60 1HE TYR 60 14.569 -13.010 -3.628 424 HE2 TYR 60 2HE TYR 60 12.178 -9.742 -5.060 425 HH TYR 60 HH TYR 60 14.547 -11.972 -5.917 426 H LYS 61 H LYS 61 9.909 -14.637 -2.249 427 HA LYS 61 HA LYS 61 7.785 -15.705 -0.483 428 HB2 LYS 61 2HB LYS 61 9.052 -17.112 -2.840 429 HB3 LYS 61 1HB LYS 61 7.658 -17.644 -1.901 430 HG2 LYS 61 2HG LYS 61 6.455 -16.625 -3.544 431 HG3 LYS 61 1HG LYS 61 6.847 -15.149 -2.662 432 HD2 LYS 61 2HD LYS 61 8.932 -14.954 -4.063 433 HD3 LYS 61 1HD LYS 61 8.343 -16.308 -5.027 434 HE2 LYS 61 2HE LYS 61 6.136 -14.759 -5.066 435 HE3 LYS 61 1HE LYS 61 7.363 -13.502 -4.907 436 HZ1 LYS 61 1HZ LYS 61 8.520 -14.869 -6.776 437 HZ2 LYS 61 2HZ LYS 61 7.284 -13.767 -7.162 438 HZ3 LYS 61 3HZ LYS 61 6.948 -15.429 -7.081 439 H VAL 62 H VAL 62 8.927 -15.933 1.401 440 HA VAL 62 HA VAL 62 11.105 -17.916 1.344 441 HB VAL 62 HB VAL 62 11.163 -15.192 2.633 442 HG11 VAL 62 1HG1 VAL 62 11.862 -16.459 4.460 443 HG12 VAL 62 2HG1 VAL 62 13.389 -16.214 3.611 444 HG13 VAL 62 3HG1 VAL 62 12.524 -17.742 3.446 445 HG21 VAL 62 1HG2 VAL 62 13.119 -16.765 0.924 446 HG22 VAL 62 2HG2 VAL 62 13.385 -15.134 1.540 447 HG23 VAL 62 3HG2 VAL 62 12.105 -15.435 0.365 448 H THR 63 H THR 63 8.574 -16.241 3.128 449 HA THR 63 HA THR 63 8.383 -18.564 4.927 450 HB THR 63 HB THR 63 7.543 -16.429 6.475 451 HG1 THR 63 1HG THR 63 9.477 -15.644 4.645 452 HG21 THR 63 1HG2 THR 63 9.623 -16.805 7.727 453 HG22 THR 63 2HG2 THR 63 10.324 -17.629 6.334 454 HG23 THR 63 3HG2 THR 63 8.955 -18.343 7.185 455 HA PRO 64 HA PRO 64 4.050 -18.774 4.131 456 HB2 PRO 64 2HB PRO 64 3.538 -17.841 6.932 457 HB3 PRO 64 1HB PRO 64 2.841 -19.220 6.059 458 HG2 PRO 64 2HG PRO 64 4.766 -19.531 7.886 459 HG3 PRO 64 1HG PRO 64 4.653 -20.559 6.448 460 HD2 PRO 64 2HD PRO 64 6.632 -18.455 7.084 461 HD3 PRO 64 1HD PRO 64 6.766 -19.830 5.969 462 H ASP 65 H ASP 65 5.550 -15.919 5.269 463 HA ASP 65 HA ASP 65 4.456 -14.071 3.651 464 HB2 ASP 65 2HB ASP 65 2.481 -14.769 5.754 465 HB3 ASP 65 1HB ASP 65 2.736 -13.049 5.493 466 H LEU 66 H LEU 66 6.791 -13.873 4.394 467 HA LEU 66 HA LEU 66 6.958 -11.599 6.189 468 HB2 LEU 66 2HB LEU 66 7.299 -14.079 7.338 469 HB3 LEU 66 1HB LEU 66 8.954 -13.612 6.941 470 HG LEU 66 HG LEU 66 6.971 -11.936 8.509 471 HD11 LEU 66 1HD1 LEU 66 9.561 -13.208 9.430 472 HD12 LEU 66 2HD1 LEU 66 7.982 -13.959 9.662 473 HD13 LEU 66 3HD1 LEU 66 8.343 -12.410 10.426 474 HD21 LEU 66 1HD2 LEU 66 8.289 -10.283 7.613 475 HD22 LEU 66 2HD2 LEU 66 9.619 -11.389 7.266 476 HD23 LEU 66 3HD2 LEU 66 9.383 -10.779 8.902 477 H GLU 67 H GLU 67 7.946 -10.289 4.756 478 HA GLU 67 HA GLU 67 10.670 -10.816 4.044 479 HB2 GLU 67 2HB GLU 67 9.946 -10.421 1.497 480 HB3 GLU 67 1HB GLU 67 10.078 -12.035 2.195 481 HG2 GLU 67 2HG GLU 67 7.915 -11.525 0.928 482 HG3 GLU 67 1HG GLU 67 7.725 -12.180 2.550 483 HA PRO 68 HA PRO 68 10.904 -6.392 3.975 484 HB2 PRO 68 2HB PRO 68 12.169 -6.462 1.293 485 HB3 PRO 68 1HB PRO 68 12.775 -5.770 2.805 486 HG2 PRO 68 2HG PRO 68 13.699 -8.077 1.710 487 HG3 PRO 68 1HG PRO 68 13.769 -7.697 3.436 488 HD2 PRO 68 2HD PRO 68 12.083 -9.664 2.040 489 HD3 PRO 68 1HD PRO 68 12.497 -9.540 3.763 490 H TYR 69 H TYR 69 9.945 -4.533 2.944 491 HA TYR 69 HA TYR 69 7.994 -5.213 0.819 492 HB2 TYR 69 2HB TYR 69 7.257 -4.549 3.281 493 HB3 TYR 69 1HB TYR 69 7.529 -2.918 2.668 494 HD1 TYR 69 1HD TYR 69 5.906 -6.144 1.643 495 HD2 TYR 69 2HD TYR 69 5.786 -1.850 1.530 496 HE1 TYR 69 1HE TYR 69 3.734 -6.236 0.448 497 HE2 TYR 69 2HE TYR 69 3.615 -1.944 0.336 498 HH TYR 69 HH TYR 69 1.678 -3.675 0.179 499 H ALA 70 H ALA 70 8.037 -4.037 -0.993 500 HA ALA 70 HA ALA 70 9.448 -1.446 -0.981 501 HB1 ALA 70 1HB ALA 70 10.480 -3.809 -2.114 502 HB2 ALA 70 2HB ALA 70 11.072 -2.164 -2.348 503 HB3 ALA 70 3HB ALA 70 9.890 -2.842 -3.468 504 H TRP 71 H TRP 71 8.196 0.085 -1.820 505 HA TRP 71 HA TRP 71 6.287 -0.638 -3.953 506 HB2 TRP 71 2HB TRP 71 4.477 0.141 -2.834 507 HB3 TRP 71 1HB TRP 71 5.455 -0.172 -1.400 508 HD1 TRP 71 HD TRP 71 6.925 1.959 -0.475 509 HE1 TRP 71 1HE TRP 71 6.340 4.469 -0.481 510 HE3 TRP 71 3HE TRP 71 3.253 1.999 -4.023 511 HZ2 TRP 71 2HZ TRP 71 4.551 6.258 -1.815 512 HZ3 TRP 71 3HZ TRP 71 2.125 4.119 -4.640 513 HH2 TRP 71 HH TRP 71 2.769 6.246 -3.542 514 H ALA 72 H ALA 72 5.724 1.077 -5.366 515 HA ALA 72 HA ALA 72 7.064 3.641 -5.106 516 HB1 ALA 72 1HB ALA 72 8.080 3.334 -7.446 517 HB2 ALA 72 2HB ALA 72 7.852 1.605 -7.186 518 HB3 ALA 72 3HB ALA 72 8.895 2.529 -6.105 519 H GLY 73 H GLY 73 6.032 5.236 -6.245 520 HA2 GLY 73 2HA GLY 73 4.429 4.871 -8.533 521 HA3 GLY 73 1HA GLY 73 3.391 4.820 -7.110 522 H ALA 74 H ALA 74 2.421 6.776 -8.033 523 HA ALA 74 HA ALA 74 3.759 9.155 -6.993 524 HB1 ALA 74 1HB ALA 74 3.714 10.395 -8.996 525 HB2 ALA 74 2HB ALA 74 2.667 9.226 -9.800 526 HB3 ALA 74 3HB ALA 74 4.354 8.825 -9.479 527 H THR 75 H THR 75 2.341 10.918 -6.642 528 HA THR 75 HA THR 75 -0.469 10.089 -6.391 529 HB THR 75 HB THR 75 1.200 12.207 -5.044 530 HG1 THR 75 1HG THR 75 1.291 10.501 -3.809 531 HG21 THR 75 1HG2 THR 75 -1.095 12.597 -3.818 532 HG22 THR 75 2HG2 THR 75 -1.777 12.004 -5.333 533 HG23 THR 75 3HG2 THR 75 -0.751 13.439 -5.329 534 H TYR 76 H TYR 76 -1.850 10.757 -7.890 535 HA TYR 76 HA TYR 76 -1.237 13.217 -9.408 536 HB2 TYR 76 2HB TYR 76 -1.344 11.464 -10.961 537 HB3 TYR 76 1HB TYR 76 -2.677 10.677 -10.120 538 HD1 TYR 76 1HD TYR 76 -4.963 11.353 -10.470 539 HD2 TYR 76 2HD TYR 76 -1.735 13.537 -12.276 540 HE1 TYR 76 1HE TYR 76 -6.584 12.559 -11.910 541 HE2 TYR 76 2HE TYR 76 -3.354 14.743 -13.716 542 HH TYR 76 HH TYR 76 -5.483 14.999 -14.271 543 H ASN 77 H ASN 77 -2.425 14.933 -8.901 544 HA ASN 77 HA ASN 77 -5.037 14.524 -7.601 545 HB2 ASN 77 2HB ASN 77 -3.486 17.105 -7.830 546 HB3 ASN 77 1HB ASN 77 -4.828 16.745 -6.746 547 HD21 ASN 77 1HD2 ASN 77 -3.083 17.460 -5.078 548 HD22 ASN 77 2HD2 ASN 77 -2.050 16.250 -4.492 549 H THR 78 H THR 78 -6.884 15.634 -8.310 550 HA THR 78 HA THR 78 -7.319 15.734 -11.061 551 HB THR 78 HB THR 78 -9.041 15.657 -9.164 552 HG1 THR 78 1HG THR 78 -9.881 17.617 -10.906 553 HG21 THR 78 1HG2 THR 78 -7.949 17.936 -8.313 554 HG22 THR 78 2HG2 THR 78 -9.661 17.589 -8.068 555 HG23 THR 78 3HG2 THR 78 -9.152 18.631 -9.399 556 H ASP 79 H ASP 79 -5.552 17.876 -9.159 557 HA ASP 79 HA ASP 79 -6.119 20.255 -10.731 558 HB2 ASP 79 2HB ASP 79 -4.590 19.605 -8.291 559 HB3 ASP 79 1HB ASP 79 -3.896 20.879 -9.295 560 H ASN 80 H ASN 80 -4.752 17.601 -11.681 561 HA ASN 80 HA ASN 80 -3.231 17.059 -13.316 562 HB2 ASN 80 2HB ASN 80 -2.602 19.946 -13.786 563 HB3 ASN 80 1HB ASN 80 -2.785 18.635 -14.951 564 HD21 ASN 80 1HD2 ASN 80 -4.251 21.413 -14.323 565 HD22 ASN 80 2HD2 ASN 80 -5.882 20.988 -14.520 566 H THR 81 H THR 81 -2.398 17.269 -10.595 567 HA THR 81 HA THR 81 0.337 18.347 -10.805 568 HB THR 81 HB THR 81 -0.772 17.249 -8.256 569 HG1 THR 81 1HG THR 81 -2.023 18.972 -7.951 570 HG21 THR 81 1HG2 THR 81 1.553 18.092 -8.424 571 HG22 THR 81 2HG2 THR 81 0.583 19.067 -7.321 572 HG23 THR 81 3HG2 THR 81 0.934 19.659 -8.946 573 H LEU 82 H LEU 82 2.138 17.078 -10.275 574 HA LEU 82 HA LEU 82 1.677 14.164 -10.116 575 HB2 LEU 82 2HB LEU 82 2.426 15.217 -12.435 576 HB3 LEU 82 1HB LEU 82 4.013 15.195 -11.664 577 HG LEU 82 HG LEU 82 3.304 12.728 -11.012 578 HD11 LEU 82 1HD1 LEU 82 1.707 11.715 -12.347 579 HD12 LEU 82 2HD1 LEU 82 1.933 12.860 -13.669 580 HD13 LEU 82 3HD1 LEU 82 1.021 13.335 -12.236 581 HD21 LEU 82 1HD2 LEU 82 4.210 13.599 -13.774 582 HD22 LEU 82 2HD2 LEU 82 4.353 11.956 -13.153 583 HD23 LEU 82 3HD2 LEU 82 5.245 13.269 -12.386 584 H VAL 83 H VAL 83 2.779 13.211 -8.523 585 HA VAL 83 HA VAL 83 5.235 14.485 -7.513 586 HB VAL 83 HB VAL 83 3.113 13.407 -5.665 587 HG11 VAL 83 1HG1 VAL 83 4.390 14.774 -4.022 588 HG12 VAL 83 2HG1 VAL 83 5.531 15.205 -5.296 589 HG13 VAL 83 3HG1 VAL 83 5.390 13.528 -4.766 590 HG21 VAL 83 1HG2 VAL 83 2.780 15.953 -5.231 591 HG22 VAL 83 2HG2 VAL 83 2.004 15.244 -6.648 592 HG23 VAL 83 3HG2 VAL 83 3.498 16.164 -6.829 593 HA PRO 84 HA PRO 84 5.755 9.926 -7.940 594 HB2 PRO 84 2HB PRO 84 8.194 9.978 -9.159 595 HB3 PRO 84 1HB PRO 84 6.662 10.121 -10.040 596 HG2 PRO 84 2HG PRO 84 8.650 12.193 -9.360 597 HG3 PRO 84 1HG PRO 84 7.541 12.091 -10.735 598 HD2 PRO 84 2HD PRO 84 7.191 13.686 -8.443 599 HD3 PRO 84 1HD PRO 84 5.946 13.314 -9.655 600 H ALA 85 H ALA 85 6.565 8.738 -6.307 601 HA ALA 85 HA ALA 85 9.124 9.383 -5.091 602 HB1 ALA 85 1HB ALA 85 6.504 9.723 -3.650 603 HB2 ALA 85 2HB ALA 85 7.890 10.813 -3.694 604 HB3 ALA 85 3HB ALA 85 7.978 9.313 -2.770 605 H ALA 86 H ALA 86 9.427 7.778 -3.128 606 HA ALA 86 HA ALA 86 8.148 5.195 -3.725 607 HB1 ALA 86 1HB ALA 86 11.140 5.583 -3.480 608 HB2 ALA 86 2HB ALA 86 10.276 5.282 -4.988 609 HB3 ALA 86 3HB ALA 86 10.303 4.051 -3.726 610 H GLY 87 H GLY 87 8.733 3.540 -2.035 611 HA2 GLY 87 2HA GLY 87 9.436 4.672 0.577 612 HA3 GLY 87 1HA GLY 87 7.838 3.948 0.410 613 H ALA 88 H ALA 88 10.029 3.080 2.124 614 HA ALA 88 HA ALA 88 10.256 0.317 1.123 615 HB1 ALA 88 1HB ALA 88 12.403 2.025 1.085 616 HB2 ALA 88 2HB ALA 88 12.513 0.267 1.189 617 HB3 ALA 88 3HB ALA 88 12.585 1.243 2.656 618 H GLY 89 H GLY 89 10.042 -1.245 2.661 619 HA2 GLY 89 2HA GLY 89 10.328 -0.748 5.470 620 HA3 GLY 89 1HA GLY 89 8.635 -0.806 4.985 621 H PHE 90 H PHE 90 8.086 -2.711 5.984 622 HA PHE 90 HA PHE 90 9.053 -5.140 4.686 623 HB2 PHE 90 2HB PHE 90 8.949 -5.282 7.654 624 HB3 PHE 90 1HB PHE 90 9.983 -6.150 6.519 625 HD1 PHE 90 1HD PHE 90 9.360 -2.719 7.887 626 HD2 PHE 90 2HD PHE 90 12.199 -5.456 6.183 627 HE1 PHE 90 1HE PHE 90 11.181 -1.084 8.293 628 HE2 PHE 90 2HE PHE 90 14.018 -3.821 6.588 629 HZ PHE 90 HZ PHE 90 13.509 -1.634 7.643 630 H ARG 91 H ARG 91 7.666 -6.947 4.993 631 HA ARG 91 HA ARG 91 4.957 -6.210 5.929 632 HB2 ARG 91 2HB ARG 91 4.742 -6.606 3.630 633 HB3 ARG 91 1HB ARG 91 5.907 -7.932 3.655 634 HG2 ARG 91 2HG ARG 91 4.380 -9.433 4.599 635 HG3 ARG 91 1HG ARG 91 3.369 -8.145 5.252 636 HD2 ARG 91 2HD ARG 91 3.719 -8.565 2.281 637 HD3 ARG 91 1HD ARG 91 2.455 -9.377 3.201 638 HE ARG 91 HE ARG 91 2.458 -6.543 3.656 639 HH11 ARG 91 1HH1 ARG 91 0.732 -5.372 2.757 640 HH12 ARG 91 2HH1 ARG 91 -0.236 -6.087 1.510 641 HH21 ARG 91 1HH2 ARG 91 1.540 -9.065 1.471 642 HH22 ARG 91 2HH2 ARG 91 0.222 -8.177 0.782 643 H TYR 92 H TYR 92 4.551 -7.092 7.845 644 HA TYR 92 HA TYR 92 5.688 -9.740 8.478 645 HB2 TYR 92 2HB TYR 92 5.230 -7.311 10.010 646 HB3 TYR 92 1HB TYR 92 4.510 -8.721 10.787 647 HD1 TYR 92 1HD TYR 92 7.674 -7.482 9.229 648 HD2 TYR 92 2HD TYR 92 5.856 -10.289 11.925 649 HE1 TYR 92 1HE TYR 92 9.921 -8.219 9.977 650 HE2 TYR 92 2HE TYR 92 8.103 -11.026 12.673 651 HH TYR 92 HH TYR 92 10.450 -9.983 12.743 652 H LYS 93 H LYS 93 4.356 -11.354 9.406 653 HA LYS 93 HA LYS 93 1.577 -11.211 8.491 654 HB2 LYS 93 2HB LYS 93 1.553 -13.637 8.886 655 HB3 LYS 93 1HB LYS 93 2.911 -13.179 7.859 656 HG2 LYS 93 2HG LYS 93 4.139 -12.970 10.225 657 HG3 LYS 93 1HG LYS 93 2.912 -14.152 10.682 658 HD2 LYS 93 2HD LYS 93 3.604 -15.459 8.591 659 HD3 LYS 93 1HD LYS 93 5.009 -14.394 8.521 660 HE2 LYS 93 2HE LYS 93 5.715 -16.311 9.756 661 HE3 LYS 93 1HE LYS 93 5.453 -15.042 10.951 662 HZ1 LYS 93 1HZ LYS 93 3.218 -16.807 10.255 663 HZ2 LYS 93 2HZ LYS 93 3.562 -16.023 11.722 664 HZ3 LYS 93 3HZ LYS 93 4.435 -17.408 11.272 665 H VAL 94 H VAL 94 0.036 -10.618 9.864 666 HA VAL 94 HA VAL 94 0.493 -10.939 12.757 667 HB VAL 94 HB VAL 94 -0.037 -8.663 11.998 668 HG11 VAL 94 1HG1 VAL 94 -2.833 -9.265 11.332 669 HG12 VAL 94 2HG1 VAL 94 -1.681 -9.935 10.176 670 HG13 VAL 94 3HG1 VAL 94 -1.687 -8.203 10.513 671 HG21 VAL 94 1HG2 VAL 94 -0.896 -9.637 14.204 672 HG22 VAL 94 2HG2 VAL 94 -2.455 -9.823 13.399 673 HG23 VAL 94 3HG2 VAL 94 -1.754 -8.218 13.601 674 H SER 95 H SER 95 -1.624 -11.839 10.119 675 HA SER 95 HA SER 95 -2.790 -13.933 11.762 676 HB2 SER 95 2HB SER 95 -4.179 -11.469 11.313 677 HB3 SER 95 1HB SER 95 -5.008 -12.754 10.437 678 HG SER 95 HG SER 95 -4.321 -12.655 13.189 679 HA PRO 96 HA PRO 96 -2.844 -16.071 7.918 680 HB2 PRO 96 2HB PRO 96 -5.107 -17.604 8.098 681 HB3 PRO 96 1HB PRO 96 -3.627 -17.936 9.018 682 HG2 PRO 96 2HG PRO 96 -6.145 -16.618 9.893 683 HG3 PRO 96 1HG PRO 96 -5.095 -17.744 10.768 684 HD2 PRO 96 2HD PRO 96 -5.067 -15.037 11.197 685 HD3 PRO 96 1HD PRO 96 -3.649 -16.079 11.451 686 H GLU 97 H GLU 97 -5.707 -14.257 8.775 687 HA GLU 97 HA GLU 97 -6.547 -14.157 5.945 688 HB2 GLU 97 2HB GLU 97 -8.058 -13.456 8.472 689 HB3 GLU 97 1HB GLU 97 -8.695 -13.306 6.834 690 HG2 GLU 97 2HG GLU 97 -8.319 -15.736 6.490 691 HG3 GLU 97 1HG GLU 97 -7.762 -15.868 8.157 692 H VAL 98 H VAL 98 -4.938 -12.388 8.332 693 HA VAL 98 HA VAL 98 -5.255 -9.916 6.751 694 HB VAL 98 HB VAL 98 -4.896 -9.723 9.711 695 HG11 VAL 98 1HG1 VAL 98 -4.862 -7.816 7.941 696 HG12 VAL 98 2HG1 VAL 98 -5.825 -7.581 9.400 697 HG13 VAL 98 3HG1 VAL 98 -6.611 -8.041 7.888 698 HG21 VAL 98 1HG2 VAL 98 -7.431 -9.623 9.874 699 HG22 VAL 98 2HG2 VAL 98 -6.766 -11.233 9.603 700 HG23 VAL 98 3HG2 VAL 98 -7.486 -10.339 8.262 701 H LYS 99 H LYS 99 -3.452 -8.511 6.773 702 HA LYS 99 HA LYS 99 -0.967 -9.623 7.911 703 HB2 LYS 99 2HB LYS 99 -1.213 -8.494 5.114 704 HB3 LYS 99 1HB LYS 99 0.236 -9.174 5.858 705 HG2 LYS 99 2HG LYS 99 -1.264 -11.297 6.205 706 HG3 LYS 99 1HG LYS 99 -2.250 -10.585 4.927 707 HD2 LYS 99 2HD LYS 99 0.057 -10.315 3.691 708 HD3 LYS 99 1HD LYS 99 0.578 -11.585 4.798 709 HE2 LYS 99 2HE LYS 99 -0.209 -12.772 2.914 710 HE3 LYS 99 1HE LYS 99 -1.558 -12.838 4.048 711 HZ1 LYS 99 1HZ LYS 99 -1.913 -12.103 1.580 712 HZ2 LYS 99 2HZ LYS 99 -1.413 -10.591 2.173 713 HZ3 LYS 99 3HZ LYS 99 -2.775 -11.360 2.838 714 H LEU 100 H LEU 100 0.592 -8.100 8.487 715 HA LEU 100 HA LEU 100 -0.431 -5.345 8.699 716 HB2 LEU 100 2HB LEU 100 0.295 -6.700 10.755 717 HB3 LEU 100 1HB LEU 100 1.944 -6.480 10.169 718 HG LEU 100 HG LEU 100 0.931 -3.930 9.977 719 HD11 LEU 100 1HD1 LEU 100 -1.135 -4.692 11.159 720 HD12 LEU 100 2HD1 LEU 100 -0.249 -3.461 12.058 721 HD13 LEU 100 3HD1 LEU 100 -0.137 -5.153 12.538 722 HD21 LEU 100 1HD2 LEU 100 3.111 -4.473 10.892 723 HD22 LEU 100 2HD2 LEU 100 2.377 -5.287 12.273 724 HD23 LEU 100 3HD2 LEU 100 2.231 -3.537 12.100 725 H VAL 101 H VAL 101 0.824 -3.577 8.097 726 HA VAL 101 HA VAL 101 3.337 -4.123 6.664 727 HB VAL 101 HB VAL 101 1.463 -4.046 5.013 728 HG11 VAL 101 1HG1 VAL 101 1.231 -1.106 5.556 729 HG12 VAL 101 2HG1 VAL 101 0.293 -2.230 6.539 730 HG13 VAL 101 3HG1 VAL 101 0.074 -2.194 4.790 731 HG21 VAL 101 1HG2 VAL 101 3.833 -3.269 4.531 732 HG22 VAL 101 2HG2 VAL 101 3.273 -1.623 4.825 733 HG23 VAL 101 3HG2 VAL 101 2.597 -2.559 3.492 734 H VAL 102 H VAL 102 4.857 -2.519 6.849 735 HA VAL 102 HA VAL 102 4.098 0.065 7.955 736 HB VAL 102 HB VAL 102 6.207 -0.317 9.528 737 HG11 VAL 102 1HG1 VAL 102 4.612 -0.999 11.317 738 HG12 VAL 102 2HG1 VAL 102 3.411 -1.358 10.076 739 HG13 VAL 102 3HG1 VAL 102 3.971 0.298 10.308 740 HG21 VAL 102 1HG2 VAL 102 5.015 -3.065 9.663 741 HG22 VAL 102 2HG2 VAL 102 6.616 -2.517 10.160 742 HG23 VAL 102 3HG2 VAL 102 6.252 -2.741 8.449 743 H GLU 103 H GLU 103 4.900 1.341 6.461 744 HA GLU 103 HA GLU 103 7.751 1.192 5.820 745 HB2 GLU 103 2HB GLU 103 7.365 1.348 3.416 746 HB3 GLU 103 1HB GLU 103 6.602 -0.110 4.050 747 HG2 GLU 103 2HG GLU 103 4.887 0.765 2.739 748 HG3 GLU 103 1HG GLU 103 4.501 1.446 4.319 749 H TYR 104 H TYR 104 8.656 3.156 5.200 750 HA TYR 104 HA TYR 104 6.938 5.506 5.683 751 HB2 TYR 104 2HB TYR 104 9.901 5.750 5.589 752 HB3 TYR 104 1HB TYR 104 8.735 6.565 6.632 753 HD1 TYR 104 1HD TYR 104 11.373 4.404 6.803 754 HD2 TYR 104 2HD TYR 104 7.250 4.605 7.994 755 HE1 TYR 104 1HE TYR 104 11.812 2.755 8.599 756 HE2 TYR 104 2HE TYR 104 7.690 2.955 9.792 757 HH TYR 104 HH TYR 104 10.963 1.633 10.311 758 H GLY 105 H GLY 105 6.779 7.126 4.191 759 HA2 GLY 105 2HA GLY 105 7.862 6.534 1.521 760 HA3 GLY 105 1HA GLY 105 6.519 7.616 1.871 761 H TRP 106 H TRP 106 9.114 7.985 0.379 762 HA TRP 106 HA TRP 106 9.826 10.536 1.639 763 HB2 TRP 106 2HB TRP 106 11.994 10.040 2.057 764 HB3 TRP 106 1HB TRP 106 11.446 8.363 2.038 765 HD1 TRP 106 HD TRP 106 11.326 7.350 -0.657 766 HE1 TRP 106 1HE TRP 106 13.207 7.507 -2.412 767 HE3 TRP 106 3HE TRP 106 14.020 11.231 1.282 768 HZ2 TRP 106 2HZ TRP 106 15.547 9.072 -2.925 769 HZ3 TRP 106 3HZ TRP 106 16.069 12.033 0.142 770 HH2 TRP 106 HH TRP 106 16.835 10.959 -1.957 771 H ASN 107 H ASN 107 10.945 11.987 0.179 772 HA ASN 107 HA ASN 107 10.596 11.302 -2.677 773 HB2 ASN 107 2HB ASN 107 10.272 14.137 -2.017 774 HB3 ASN 107 1HB ASN 107 9.295 13.104 -3.057 775 HD21 ASN 107 1HD2 ASN 107 7.301 12.409 -2.224 776 HD22 ASN 107 2HD2 ASN 107 6.828 12.591 -0.604 777 H ASN 108 H ASN 108 11.784 13.004 -4.068 778 HA ASN 108 HA ASN 108 14.512 12.801 -3.690 779 HB2 ASN 108 2HB ASN 108 12.950 14.941 -5.151 780 HB3 ASN 108 1HB ASN 108 14.694 14.723 -5.286 781 HD21 ASN 108 1HD2 ASN 108 15.198 12.153 -5.680 782 HD22 ASN 108 2HD2 ASN 108 14.282 11.476 -6.939 783 H SER 109 H SER 109 12.477 15.647 -2.967 784 HA SER 109 HA SER 109 14.215 16.309 -0.718 785 HB2 SER 109 2HB SER 109 13.902 18.060 -3.154 786 HB3 SER 109 1HB SER 109 14.342 18.718 -1.581 787 HG SER 109 HG SER 109 15.699 16.699 -3.049 788 H SER 110 H SER 110 12.231 15.735 0.384 789 HA SER 110 HA SER 110 10.584 18.034 0.898 790 HB2 SER 110 2HB SER 110 9.699 16.239 -1.112 791 HB3 SER 110 1HB SER 110 8.692 15.964 0.306 792 HG SER 110 HG SER 110 8.514 17.926 -1.414 793 H LEU 111 H LEU 111 8.964 17.571 2.613 794 HA LEU 111 HA LEU 111 10.091 16.262 4.797 795 HB2 LEU 111 2HB LEU 111 7.369 17.285 4.132 796 HB3 LEU 111 1HB LEU 111 7.529 16.219 5.529 797 HG LEU 111 HG LEU 111 9.253 17.679 6.479 798 HD11 LEU 111 1HD1 LEU 111 9.497 19.969 5.270 799 HD12 LEU 111 2HD1 LEU 111 8.888 19.115 3.853 800 HD13 LEU 111 3HD1 LEU 111 10.385 18.590 4.624 801 HD21 LEU 111 1HD2 LEU 111 7.838 19.577 7.021 802 HD22 LEU 111 2HD2 LEU 111 6.812 18.150 6.881 803 HD23 LEU 111 3HD2 LEU 111 6.873 19.325 5.567 804 H GLN 112 H GLN 112 9.571 14.310 5.866 805 HA GLN 112 HA GLN 112 8.592 12.192 4.052 806 HB2 GLN 112 2HB GLN 112 10.044 10.690 5.090 807 HB3 GLN 112 1HB GLN 112 10.988 12.181 5.083 808 HG2 GLN 112 2HG GLN 112 9.870 12.606 7.405 809 HG3 GLN 112 1HG GLN 112 9.547 10.873 7.376 810 HE21 GLN 112 1HE2 GLN 112 11.210 9.588 8.186 811 HE22 GLN 112 2HE2 GLN 112 12.833 10.067 8.311 812 H PHE 113 H PHE 113 7.571 10.308 5.246 813 HA PHE 113 HA PHE 113 6.189 10.989 7.715 814 HB2 PHE 113 2HB PHE 113 3.967 10.814 6.847 815 HB3 PHE 113 1HB PHE 113 4.818 11.975 5.827 816 HD1 PHE 113 1HD PHE 113 3.011 8.868 5.918 817 HD2 PHE 113 2HD PHE 113 5.884 11.117 3.653 818 HE1 PHE 113 1HE PHE 113 2.542 7.462 3.930 819 HE2 PHE 113 2HE PHE 113 5.417 9.711 1.664 820 HZ PHE 113 HZ PHE 113 3.746 7.884 1.802 821 H LEU 114 H LEU 114 4.775 9.144 8.433 822 HA LEU 114 HA LEU 114 6.041 6.588 7.657 823 HB2 LEU 114 2HB LEU 114 4.455 6.511 10.094 824 HB3 LEU 114 1HB LEU 114 6.138 6.057 9.839 825 HG LEU 114 HG LEU 114 5.114 8.884 10.255 826 HD11 LEU 114 1HD1 LEU 114 5.666 6.832 12.109 827 HD12 LEU 114 2HD1 LEU 114 5.440 8.547 12.455 828 HD13 LEU 114 3HD1 LEU 114 7.059 7.914 12.161 829 HD21 LEU 114 1HD2 LEU 114 7.911 8.685 10.619 830 HD22 LEU 114 2HD2 LEU 114 7.067 9.517 9.316 831 HD23 LEU 114 3HD2 LEU 114 7.560 7.835 9.116 832 H GLN 115 H GLN 115 4.720 4.715 7.448 833 HA GLN 115 HA GLN 115 1.827 5.218 7.162 834 HB2 GLN 115 2HB GLN 115 3.355 5.195 4.964 835 HB3 GLN 115 1HB GLN 115 3.127 3.457 5.148 836 HG2 GLN 115 2HG GLN 115 0.659 3.854 5.315 837 HG3 GLN 115 1HG GLN 115 0.950 5.555 4.960 838 HE21 GLN 115 1HE2 GLN 115 1.782 2.319 3.579 839 HE22 GLN 115 2HE2 GLN 115 1.614 2.813 1.964 840 H ALA 116 H ALA 116 0.547 3.590 7.854 841 HA ALA 116 HA ALA 116 1.576 0.890 8.170 842 HB1 ALA 116 1HB ALA 116 0.542 2.323 10.619 843 HB2 ALA 116 2HB ALA 116 2.262 2.199 10.249 844 HB3 ALA 116 3HB ALA 116 1.314 0.740 10.531 845 H GLY 117 H GLY 117 -0.025 -0.554 7.864 846 HA2 GLY 117 2HA GLY 117 -2.764 0.017 8.601 847 HA3 GLY 117 1HA GLY 117 -2.486 -0.005 6.865 848 H LEU 118 H LEU 118 -4.033 -1.811 6.940 849 HA LEU 118 HA LEU 118 -2.607 -4.355 7.356 850 HB2 LEU 118 2HB LEU 118 -5.452 -3.816 8.241 851 HB3 LEU 118 1HB LEU 118 -4.617 -5.366 8.335 852 HG LEU 118 HG LEU 118 -2.822 -3.801 9.623 853 HD11 LEU 118 1HD1 LEU 118 -5.455 -2.717 10.605 854 HD12 LEU 118 2HD1 LEU 118 -4.587 -1.904 9.301 855 HD13 LEU 118 3HD1 LEU 118 -3.830 -2.093 10.883 856 HD21 LEU 118 1HD2 LEU 118 -3.928 -4.622 11.736 857 HD22 LEU 118 2HD2 LEU 118 -3.703 -5.876 10.518 858 HD23 LEU 118 3HD2 LEU 118 -5.293 -5.151 10.752 859 H SER 119 H SER 119 -3.695 -6.175 6.222 860 HA SER 119 HA SER 119 -5.143 -5.256 3.809 861 HB2 SER 119 2HB SER 119 -3.128 -5.823 2.848 862 HB3 SER 119 1HB SER 119 -2.745 -7.006 4.096 863 HG SER 119 HG SER 119 -3.380 -7.842 1.963 864 H TYR 120 H TYR 120 -6.684 -6.686 2.945 865 HA TYR 120 HA TYR 120 -7.302 -9.109 4.481 866 HB2 TYR 120 2HB TYR 120 -8.604 -7.237 5.494 867 HB3 TYR 120 1HB TYR 120 -9.365 -6.965 3.928 868 HD1 TYR 120 1HD TYR 120 -11.395 -8.040 3.497 869 HD2 TYR 120 2HD TYR 120 -8.646 -9.785 6.300 870 HE1 TYR 120 1HE TYR 120 -13.033 -9.834 3.989 871 HE2 TYR 120 2HE TYR 120 -10.285 -11.579 6.790 872 HH TYR 120 HH TYR 120 -13.057 -11.648 6.560 873 H ARG 121 H ARG 121 -7.828 -10.737 3.166 874 HA ARG 121 HA ARG 121 -8.253 -10.164 0.326 875 HB2 ARG 121 2HB ARG 121 -8.016 -12.887 1.606 876 HB3 ARG 121 1HB ARG 121 -7.705 -12.437 -0.072 877 HG2 ARG 121 2HG ARG 121 -5.812 -11.008 0.698 878 HG3 ARG 121 1HG ARG 121 -6.090 -11.577 2.345 879 HD2 ARG 121 2HD ARG 121 -5.564 -13.446 0.026 880 HD3 ARG 121 1HD ARG 121 -4.282 -12.818 1.059 881 HE ARG 121 HE ARG 121 -6.190 -13.909 2.763 882 HH11 ARG 121 1HH1 ARG 121 -5.973 -16.031 3.539 883 HH12 ARG 121 2HH1 ARG 121 -5.012 -17.175 2.661 884 HH21 ARG 121 1HH2 ARG 121 -4.149 -14.931 0.162 885 HH22 ARG 121 2HH2 ARG 121 -3.979 -16.551 0.749 886 H ILE 122 H ILE 122 -10.137 -10.474 -0.725 887 HA ILE 122 HA ILE 122 -12.485 -11.152 0.882 888 HB ILE 122 HB ILE 122 -12.475 -10.318 -2.015 889 HG12 ILE 122 2HG1 ILE 122 -11.169 -8.625 -0.912 890 HG13 ILE 122 1HG1 ILE 122 -12.801 -7.978 -1.074 891 HG21 ILE 122 1HG2 ILE 122 -14.534 -9.375 -0.131 892 HG22 ILE 122 2HG2 ILE 122 -14.493 -11.126 -0.333 893 HG23 ILE 122 3HG2 ILE 122 -14.717 -10.082 -1.737 894 HD11 ILE 122 1HD1 ILE 122 -11.458 -9.075 1.395 895 HD12 ILE 122 2HD1 ILE 122 -13.213 -8.953 1.286 896 HD13 ILE 122 3HD1 ILE 122 -12.220 -7.502 1.168 897 H GLN 123 H GLN 123 -10.521 -12.424 -1.702 898 HA GLN 123 HA GLN 123 -12.372 -14.706 -2.006 899 HB2 GLN 123 2HB GLN 123 -10.607 -13.238 -3.867 900 HB3 GLN 123 1HB GLN 123 -10.606 -14.991 -4.050 901 HG2 GLN 123 2HG GLN 123 -12.919 -15.067 -4.502 902 HG3 GLN 123 1HG GLN 123 -13.195 -13.465 -3.817 903 HE21 GLN 123 1HE2 GLN 123 -11.111 -12.022 -5.134 904 HE22 GLN 123 2HE2 GLN 123 -11.448 -11.994 -6.797 905 HA PRO 124 HA PRO 124 -9.379 -17.355 -0.125 906 HB2 PRO 124 2HB PRO 124 -9.682 -19.675 -1.552 907 HB3 PRO 124 1HB PRO 124 -10.849 -19.108 -0.342 908 HG2 PRO 124 2HG PRO 124 -10.957 -18.926 -3.308 909 HG3 PRO 124 1HG PRO 124 -12.256 -19.250 -2.148 910 HD2 PRO 124 2HD PRO 124 -11.880 -16.804 -3.320 911 HD3 PRO 124 1HD PRO 124 -12.607 -17.011 -1.711 Start of MODEL 15 1 H1 MET 1 1HT MET 1 -6.582 -27.331 -4.131 2 H2 MET 1 2HT MET 1 -7.943 -26.354 -3.848 3 H3 MET 1 3HT MET 1 -7.027 -26.940 -2.541 4 HA MET 1 HA MET 1 -6.650 -24.544 -3.132 5 HB2 MET 1 2HB MET 1 -4.684 -26.699 -2.690 6 HB3 MET 1 1HB MET 1 -3.997 -25.212 -3.346 7 HG2 MET 1 2HG MET 1 -4.037 -25.223 -0.852 8 HG3 MET 1 1HG MET 1 -4.989 -23.907 -1.539 9 HE1 MET 1 1HE MET 1 -4.955 -25.838 1.343 10 HE2 MET 1 2HE MET 1 -6.611 -25.474 1.822 11 HE3 MET 1 3HE MET 1 -5.577 -24.188 1.204 12 H GLN 2 H GLN 2 -6.906 -23.382 -4.937 13 HA GLN 2 HA GLN 2 -5.124 -23.848 -7.197 14 HB2 GLN 2 2HB GLN 2 -7.163 -23.637 -8.761 15 HB3 GLN 2 1HB GLN 2 -6.888 -25.198 -7.986 16 HG2 GLN 2 2HG GLN 2 -8.533 -24.685 -6.265 17 HG3 GLN 2 1HG GLN 2 -8.747 -23.057 -6.910 18 HE21 GLN 2 1HE2 GLN 2 -11.056 -24.506 -6.792 19 HE22 GLN 2 2HE2 GLN 2 -11.509 -25.071 -8.327 20 H ASP 3 H ASP 3 -4.479 -21.800 -5.991 21 HA ASP 3 HA ASP 3 -6.164 -19.481 -6.371 22 HB2 ASP 3 2HB ASP 3 -3.264 -19.216 -5.736 23 HB3 ASP 3 1HB ASP 3 -4.647 -18.354 -5.064 24 H GLY 4 H GLY 4 -6.454 -18.796 -8.408 25 HA2 GLY 4 2HA GLY 4 -4.187 -18.831 -10.282 26 HA3 GLY 4 1HA GLY 4 -5.880 -18.630 -10.718 27 HA PRO 5 HA PRO 5 -3.734 -14.457 -10.399 28 HB2 PRO 5 2HB PRO 5 -3.770 -13.801 -13.045 29 HB3 PRO 5 1HB PRO 5 -2.441 -14.704 -12.293 30 HG2 PRO 5 2HG PRO 5 -4.690 -15.687 -13.968 31 HG3 PRO 5 1HG PRO 5 -2.999 -16.216 -13.918 32 HD2 PRO 5 2HD PRO 5 -5.074 -17.568 -12.687 33 HD3 PRO 5 1HD PRO 5 -3.374 -17.678 -12.182 34 H GLY 6 H GLY 6 -4.750 -12.389 -10.674 35 HA2 GLY 6 2HA GLY 6 -6.525 -10.981 -11.455 36 HA3 GLY 6 1HA GLY 6 -7.514 -12.419 -11.696 37 H THR 7 H THR 7 -5.742 -12.478 -8.801 38 HA THR 7 HA THR 7 -8.059 -12.515 -7.172 39 HB THR 7 HB THR 7 -5.373 -11.885 -6.019 40 HG1 THR 7 1HG THR 7 -4.549 -13.727 -6.654 41 HG21 THR 7 1HG2 THR 7 -7.653 -12.442 -4.819 42 HG22 THR 7 2HG2 THR 7 -6.146 -13.130 -4.216 43 HG23 THR 7 3HG2 THR 7 -7.222 -14.104 -5.218 44 H LEU 8 H LEU 8 -8.700 -11.033 -5.534 45 HA LEU 8 HA LEU 8 -7.736 -8.265 -5.872 46 HB2 LEU 8 2HB LEU 8 -10.177 -7.568 -5.570 47 HB3 LEU 8 1HB LEU 8 -9.745 -8.252 -7.138 48 HG LEU 8 HG LEU 8 -10.546 -10.269 -5.153 49 HD11 LEU 8 1HD1 LEU 8 -12.445 -8.084 -6.032 50 HD12 LEU 8 2HD1 LEU 8 -12.127 -8.649 -4.392 51 HD13 LEU 8 3HD1 LEU 8 -13.008 -9.676 -5.523 52 HD21 LEU 8 1HD2 LEU 8 -10.183 -10.705 -7.567 53 HD22 LEU 8 2HD2 LEU 8 -11.494 -9.591 -7.956 54 HD23 LEU 8 3HD2 LEU 8 -11.836 -11.086 -7.086 55 H ASP 9 H ASP 9 -7.507 -7.147 -4.002 56 HA ASP 9 HA ASP 9 -8.722 -8.222 -1.549 57 HB2 ASP 9 2HB ASP 9 -5.866 -7.340 -1.453 58 HB3 ASP 9 1HB ASP 9 -6.729 -8.460 -0.400 59 H VAL 10 H VAL 10 -8.647 -6.697 0.250 60 HA VAL 10 HA VAL 10 -8.439 -3.879 -0.638 61 HB VAL 10 HB VAL 10 -10.802 -4.628 -0.380 62 HG11 VAL 10 1HG1 VAL 10 -9.948 -6.163 1.644 63 HG12 VAL 10 2HG1 VAL 10 -11.608 -5.577 1.558 64 HG13 VAL 10 3HG1 VAL 10 -10.433 -4.749 2.579 65 HG21 VAL 10 1HG2 VAL 10 -9.951 -2.715 1.814 66 HG22 VAL 10 2HG2 VAL 10 -11.489 -2.733 0.950 67 HG23 VAL 10 3HG2 VAL 10 -10.010 -2.272 0.108 68 H PHE 11 H PHE 11 -7.409 -2.486 0.727 69 HA PHE 11 HA PHE 11 -6.788 -3.318 3.456 70 HB2 PHE 11 2HB PHE 11 -4.465 -3.340 3.245 71 HB3 PHE 11 1HB PHE 11 -4.986 -4.151 1.768 72 HD1 PHE 11 1HD PHE 11 -3.177 -1.364 3.139 73 HD2 PHE 11 2HD PHE 11 -5.279 -2.725 -0.351 74 HE1 PHE 11 1HE PHE 11 -2.048 0.376 1.782 75 HE2 PHE 11 2HE PHE 11 -4.149 -0.984 -1.710 76 HZ PHE 11 HZ PHE 11 -2.534 0.568 -0.643 77 H VAL 12 H VAL 12 -6.204 -1.619 4.816 78 HA VAL 12 HA VAL 12 -6.670 1.077 3.691 79 HB VAL 12 HB VAL 12 -6.804 1.127 6.522 80 HG11 VAL 12 1HG1 VAL 12 -9.008 1.134 4.437 81 HG12 VAL 12 2HG1 VAL 12 -8.052 2.540 4.906 82 HG13 VAL 12 3HG1 VAL 12 -9.129 1.776 6.075 83 HG21 VAL 12 1HG2 VAL 12 -8.445 -1.108 5.284 84 HG22 VAL 12 2HG2 VAL 12 -8.570 -0.534 6.947 85 HG23 VAL 12 3HG2 VAL 12 -7.097 -1.334 6.399 86 H ALA 13 H ALA 13 -5.457 2.849 4.763 87 HA ALA 13 HA ALA 13 -3.032 2.149 6.165 88 HB1 ALA 13 1HB ALA 13 -2.161 1.777 3.989 89 HB2 ALA 13 2HB ALA 13 -1.641 3.405 4.424 90 HB3 ALA 13 3HB ALA 13 -3.004 3.178 3.329 91 H ALA 14 H ALA 14 -3.122 3.555 7.739 92 HA ALA 14 HA ALA 14 -3.543 6.406 7.110 93 HB1 ALA 14 1HB ALA 14 -4.962 4.718 9.138 94 HB2 ALA 14 2HB ALA 14 -5.607 5.969 8.075 95 HB3 ALA 14 3HB ALA 14 -4.658 6.418 9.492 96 H GLY 15 H GLY 15 -2.099 7.752 8.043 97 HA2 GLY 15 2HA GLY 15 -0.628 6.940 10.425 98 HA3 GLY 15 1HA GLY 15 0.331 7.122 8.961 99 H TRP 16 H TRP 16 1.508 8.855 9.847 100 HA TRP 16 HA TRP 16 0.184 11.431 9.563 101 HB2 TRP 16 2HB TRP 16 1.466 11.989 11.864 102 HB3 TRP 16 1HB TRP 16 -0.224 11.483 11.810 103 HD1 TRP 16 HD TRP 16 3.107 9.505 11.626 104 HE1 TRP 16 1HE TRP 16 2.961 7.547 13.297 105 HE3 TRP 16 3HE TRP 16 -1.524 10.370 13.601 106 HZ2 TRP 16 2HZ TRP 16 1.125 6.488 15.218 107 HZ3 TRP 16 3HZ TRP 16 -2.445 8.873 15.348 108 HH2 TRP 16 HH TRP 16 -1.129 6.934 16.157 109 H ASN 17 H ASN 17 1.785 13.235 9.734 110 HA ASN 17 HA ASN 17 4.485 12.349 8.906 111 HB2 ASN 17 2HB ASN 17 3.034 13.284 7.054 112 HB3 ASN 17 1HB ASN 17 3.062 14.822 7.913 113 HD21 ASN 17 1HD2 ASN 17 5.995 13.212 8.461 114 HD22 ASN 17 2HD2 ASN 17 6.918 13.972 7.257 115 H THR 18 H THR 18 6.230 13.539 9.656 116 HA THR 18 HA THR 18 6.189 14.606 12.180 117 HB THR 18 HB THR 18 8.021 15.314 9.877 118 HG1 THR 18 1HG THR 18 9.071 13.588 10.479 119 HG21 THR 18 1HG2 THR 18 9.526 15.778 12.034 120 HG22 THR 18 2HG2 THR 18 7.954 16.156 12.740 121 HG23 THR 18 3HG2 THR 18 8.519 17.040 11.322 122 H ASP 19 H ASP 19 5.138 16.085 9.242 123 HA ASP 19 HA ASP 19 5.336 18.811 10.002 124 HB2 ASP 19 2HB ASP 19 4.828 17.717 7.679 125 HB3 ASP 19 1HB ASP 19 3.151 17.799 8.214 126 H ASN 20 H ASN 20 3.708 16.447 11.526 127 HA ASN 20 HA ASN 20 2.078 16.458 13.146 128 HB2 ASN 20 2HB ASN 20 3.174 18.866 13.432 129 HB3 ASN 20 1HB ASN 20 1.598 19.385 12.840 130 HD21 ASN 20 1HD2 ASN 20 2.883 19.469 15.649 131 HD22 ASN 20 2HD2 ASN 20 1.709 18.757 16.647 132 H THR 21 H THR 21 1.331 15.806 10.572 133 HA THR 21 HA THR 21 -1.452 16.763 10.540 134 HB THR 21 HB THR 21 0.161 16.423 8.009 135 HG1 THR 21 1HG THR 21 0.188 18.719 8.013 136 HG21 THR 21 1HG2 THR 21 -2.477 17.796 8.598 137 HG22 THR 21 2HG2 THR 21 -2.307 16.201 7.864 138 HG23 THR 21 3HG2 THR 21 -1.721 17.631 7.014 139 H ILE 22 H ILE 22 -2.944 15.214 10.067 140 HA ILE 22 HA ILE 22 -1.912 12.476 9.725 141 HB ILE 22 HB ILE 22 -4.752 13.169 10.421 142 HG12 ILE 22 2HG1 ILE 22 -2.363 13.050 12.290 143 HG13 ILE 22 1HG1 ILE 22 -3.398 14.448 11.996 144 HG21 ILE 22 1HG2 ILE 22 -3.922 10.815 9.841 145 HG22 ILE 22 2HG2 ILE 22 -4.759 10.986 11.384 146 HG23 ILE 22 3HG2 ILE 22 -2.999 10.884 11.343 147 HD11 ILE 22 1HD1 ILE 22 -4.115 11.861 13.384 148 HD12 ILE 22 2HD1 ILE 22 -5.344 12.978 12.790 149 HD13 ILE 22 3HD1 ILE 22 -4.201 13.501 14.026 150 H GLU 23 H GLU 23 -2.576 11.168 8.060 151 HA GLU 23 HA GLU 23 -4.472 12.287 6.101 152 HB2 GLU 23 2HB GLU 23 -2.873 11.329 4.315 153 HB3 GLU 23 1HB GLU 23 -2.434 12.861 5.073 154 HG2 GLU 23 2HG GLU 23 -0.738 11.906 6.342 155 HG3 GLU 23 1HG GLU 23 -1.482 10.308 6.321 156 H ILE 24 H ILE 24 -5.866 10.823 5.291 157 HA ILE 24 HA ILE 24 -5.526 8.022 6.139 158 HB ILE 24 HB ILE 24 -8.037 9.278 5.033 159 HG12 ILE 24 2HG1 ILE 24 -7.092 9.127 7.915 160 HG13 ILE 24 1HG1 ILE 24 -7.310 10.602 6.974 161 HG21 ILE 24 1HG2 ILE 24 -7.475 6.682 5.442 162 HG22 ILE 24 2HG2 ILE 24 -9.082 7.349 5.729 163 HG23 ILE 24 3HG2 ILE 24 -7.973 7.110 7.079 164 HD11 ILE 24 1HD1 ILE 24 -9.742 9.285 6.689 165 HD12 ILE 24 2HD1 ILE 24 -9.424 10.639 7.772 166 HD13 ILE 24 3HD1 ILE 24 -9.303 8.985 8.370 167 H THR 25 H THR 25 -5.578 6.342 4.690 168 HA THR 25 HA THR 25 -5.998 6.921 1.850 169 HB THR 25 HB THR 25 -3.442 5.749 2.968 170 HG1 THR 25 1HG THR 25 -4.185 8.130 1.677 171 HG21 THR 25 1HG2 THR 25 -2.918 5.860 0.387 172 HG22 THR 25 2HG2 THR 25 -4.671 5.731 0.235 173 HG23 THR 25 3HG2 THR 25 -3.761 4.464 1.058 174 H GLY 26 H GLY 26 -6.623 5.138 0.642 175 HA2 GLY 26 2HA GLY 26 -6.567 2.469 1.761 176 HA3 GLY 26 1HA GLY 26 -8.176 3.185 1.704 177 H GLY 27 H GLY 27 -6.789 0.922 0.193 178 HA2 GLY 27 2HA GLY 27 -7.984 1.519 -2.378 179 HA3 GLY 27 1HA GLY 27 -6.232 1.347 -2.423 180 H ALA 28 H ALA 28 -6.563 -0.506 -3.804 181 HA ALA 28 HA ALA 28 -6.984 -2.954 -2.241 182 HB1 ALA 28 1HB ALA 28 -9.090 -2.989 -3.171 183 HB2 ALA 28 2HB ALA 28 -8.188 -3.783 -4.461 184 HB3 ALA 28 3HB ALA 28 -8.594 -2.070 -4.593 185 H THR 29 H THR 29 -5.892 -4.769 -3.049 186 HA THR 29 HA THR 29 -3.771 -4.122 -4.994 187 HB THR 29 HB THR 29 -2.453 -5.825 -3.961 188 HG1 THR 29 1HG THR 29 -3.369 -7.465 -3.054 189 HG21 THR 29 1HG2 THR 29 -3.590 -4.942 -1.422 190 HG22 THR 29 2HG2 THR 29 -3.411 -3.614 -2.569 191 HG23 THR 29 3HG2 THR 29 -2.011 -4.590 -2.125 192 H TYR 30 H TYR 30 -3.170 -5.734 -6.560 193 HA TYR 30 HA TYR 30 -5.209 -7.784 -7.114 194 HB2 TYR 30 2HB TYR 30 -4.129 -5.917 -9.234 195 HB3 TYR 30 1HB TYR 30 -5.381 -7.145 -9.428 196 HD1 TYR 30 1HD TYR 30 -4.695 -3.725 -8.568 197 HD2 TYR 30 2HD TYR 30 -7.520 -6.914 -8.010 198 HE1 TYR 30 1HE TYR 30 -6.419 -2.079 -7.887 199 HE2 TYR 30 2HE TYR 30 -9.244 -5.268 -7.328 200 HH TYR 30 HH TYR 30 -8.535 -2.108 -6.484 201 H GLN 31 H GLN 31 -4.228 -9.679 -7.320 202 HA GLN 31 HA GLN 31 -1.403 -9.739 -8.171 203 HB2 GLN 31 2HB GLN 31 -1.960 -10.734 -5.956 204 HB3 GLN 31 1HB GLN 31 -3.013 -11.888 -6.774 205 HG2 GLN 31 2HG GLN 31 -1.168 -12.846 -7.975 206 HG3 GLN 31 1HG GLN 31 -0.084 -11.556 -7.457 207 HE21 GLN 31 1HE2 GLN 31 -0.724 -11.431 -4.693 208 HE22 GLN 31 2HE2 GLN 31 -0.282 -12.896 -3.962 209 H LEU 32 H LEU 32 -1.091 -10.227 -10.243 210 HA LEU 32 HA LEU 32 -2.385 -12.527 -11.419 211 HB2 LEU 32 2HB LEU 32 -3.066 -10.988 -13.447 212 HB3 LEU 32 1HB LEU 32 -4.148 -11.177 -12.068 213 HG LEU 32 HG LEU 32 -3.325 -9.099 -11.086 214 HD11 LEU 32 1HD1 LEU 32 -1.415 -9.197 -13.427 215 HD12 LEU 32 2HD1 LEU 32 -1.033 -9.039 -11.712 216 HD13 LEU 32 3HD1 LEU 32 -1.768 -7.691 -12.580 217 HD21 LEU 32 1HD2 LEU 32 -5.160 -8.861 -12.656 218 HD22 LEU 32 2HD2 LEU 32 -4.047 -8.882 -14.023 219 HD23 LEU 32 3HD2 LEU 32 -4.046 -7.517 -12.907 220 H SER 33 H SER 33 0.317 -11.238 -10.807 221 HA SER 33 HA SER 33 1.491 -11.771 -13.460 222 HB2 SER 33 2HB SER 33 2.259 -9.672 -13.610 223 HB3 SER 33 1HB SER 33 1.493 -9.270 -12.076 224 HG SER 33 HG SER 33 3.928 -10.695 -12.188 225 HA PRO 34 HA PRO 34 4.483 -14.530 -11.824 226 HB2 PRO 34 2HB PRO 34 6.550 -12.395 -12.201 227 HB3 PRO 34 1HB PRO 34 6.590 -14.100 -12.688 228 HG2 PRO 34 2HG PRO 34 6.071 -12.092 -14.412 229 HG3 PRO 34 1HG PRO 34 5.410 -13.723 -14.594 230 HD2 PRO 34 2HD PRO 34 4.004 -11.237 -13.915 231 HD3 PRO 34 1HD PRO 34 3.336 -12.800 -14.431 232 H TYR 35 H TYR 35 5.085 -11.172 -10.758 233 HA TYR 35 HA TYR 35 4.719 -11.827 -7.997 234 HB2 TYR 35 2HB TYR 35 7.141 -11.123 -7.413 235 HB3 TYR 35 1HB TYR 35 6.868 -12.772 -7.973 236 HD1 TYR 35 1HD TYR 35 7.728 -9.349 -9.229 237 HD2 TYR 35 2HD TYR 35 8.039 -13.591 -9.835 238 HE1 TYR 35 1HE TYR 35 9.274 -8.964 -11.128 239 HE2 TYR 35 2HE TYR 35 9.586 -13.204 -11.736 240 HH TYR 35 HH TYR 35 10.095 -10.061 -13.080 241 H ILE 36 H ILE 36 4.036 -9.845 -10.178 242 HA ILE 36 HA ILE 36 4.932 -7.358 -8.860 243 HB ILE 36 HB ILE 36 3.555 -7.574 -11.537 244 HG12 ILE 36 2HG1 ILE 36 6.525 -7.629 -10.907 245 HG13 ILE 36 1HG1 ILE 36 5.592 -8.949 -11.614 246 HG21 ILE 36 1HG2 ILE 36 4.041 -5.405 -9.979 247 HG22 ILE 36 2HG2 ILE 36 4.020 -5.343 -11.740 248 HG23 ILE 36 3HG2 ILE 36 5.555 -5.482 -10.881 249 HD11 ILE 36 1HD1 ILE 36 4.989 -6.809 -13.268 250 HD12 ILE 36 2HD1 ILE 36 6.166 -8.074 -13.621 251 HD13 ILE 36 3HD1 ILE 36 6.695 -6.555 -12.897 252 H MET 37 H MET 37 3.540 -6.439 -7.511 253 HA MET 37 HA MET 37 0.672 -7.063 -7.773 254 HB2 MET 37 2HB MET 37 1.890 -7.476 -5.589 255 HB3 MET 37 1HB MET 37 2.056 -5.724 -5.446 256 HG2 MET 37 2HG MET 37 0.016 -5.735 -4.479 257 HG3 MET 37 1HG MET 37 -0.630 -6.080 -6.084 258 HE1 MET 37 1HE MET 37 -0.349 -7.238 -2.495 259 HE2 MET 37 2HE MET 37 1.236 -7.661 -3.137 260 HE3 MET 37 3HE MET 37 0.142 -8.935 -2.602 261 H VAL 38 H VAL 38 -0.861 -5.474 -7.991 262 HA VAL 38 HA VAL 38 0.163 -2.777 -8.638 263 HB VAL 38 HB VAL 38 -2.492 -3.985 -9.434 264 HG11 VAL 38 1HG1 VAL 38 -1.317 -1.946 -11.141 265 HG12 VAL 38 2HG1 VAL 38 -1.509 -1.360 -9.490 266 HG13 VAL 38 3HG1 VAL 38 -2.905 -1.977 -10.375 267 HG21 VAL 38 1HG2 VAL 38 0.182 -3.929 -10.859 268 HG22 VAL 38 2HG2 VAL 38 -1.347 -4.217 -11.691 269 HG23 VAL 38 3HG2 VAL 38 -0.789 -5.346 -10.456 270 H LYS 39 H LYS 39 -0.278 -1.186 -7.264 271 HA LYS 39 HA LYS 39 -2.517 -1.539 -5.360 272 HB2 LYS 39 2HB LYS 39 0.194 -1.017 -4.872 273 HB3 LYS 39 1HB LYS 39 -0.628 0.521 -4.612 274 HG2 LYS 39 2HG LYS 39 -2.245 -0.596 -3.114 275 HG3 LYS 39 1HG LYS 39 -1.407 -2.130 -3.361 276 HD2 LYS 39 2HD LYS 39 0.705 -0.713 -2.602 277 HD3 LYS 39 1HD LYS 39 -0.525 0.285 -1.828 278 HE2 LYS 39 2HE LYS 39 -0.122 -1.259 -0.142 279 HE3 LYS 39 1HE LYS 39 -1.440 -2.059 -0.998 280 HZ1 LYS 39 1HZ LYS 39 1.258 -2.890 -0.676 281 HZ2 LYS 39 2HZ LYS 39 0.848 -2.802 -2.323 282 HZ3 LYS 39 3HZ LYS 39 -0.070 -3.764 -1.267 283 H ALA 40 H ALA 40 -4.168 -0.166 -5.507 284 HA ALA 40 HA ALA 40 -3.735 2.527 -6.588 285 HB1 ALA 40 1HB ALA 40 -5.219 2.349 -8.344 286 HB2 ALA 40 2HB ALA 40 -6.114 1.028 -7.594 287 HB3 ALA 40 3HB ALA 40 -4.552 0.717 -8.349 288 H GLY 41 H GLY 41 -4.791 4.003 -5.418 289 HA2 GLY 41 2HA GLY 41 -7.364 3.461 -4.215 290 HA3 GLY 41 1HA GLY 41 -6.054 3.614 -3.048 291 H TYR 42 H TYR 42 -7.066 5.499 -2.188 292 HA TYR 42 HA TYR 42 -6.378 7.921 -3.688 293 HB2 TYR 42 2HB TYR 42 -8.512 8.930 -3.457 294 HB3 TYR 42 1HB TYR 42 -8.830 7.310 -4.075 295 HD1 TYR 42 1HD TYR 42 -9.082 5.445 -2.181 296 HD2 TYR 42 2HD TYR 42 -9.744 9.650 -1.605 297 HE1 TYR 42 1HE TYR 42 -10.486 4.953 -0.197 298 HE2 TYR 42 2HE TYR 42 -11.148 9.157 0.378 299 HH TYR 42 HH TYR 42 -11.998 7.585 1.682 300 H GLY 43 H GLY 43 -6.450 9.867 -2.296 301 HA2 GLY 43 2HA GLY 43 -6.204 9.267 0.582 302 HA3 GLY 43 1HA GLY 43 -4.904 10.118 -0.247 303 H TRP 44 H TRP 44 -6.863 10.903 1.934 304 HA TRP 44 HA TRP 44 -7.378 13.569 0.918 305 HB2 TRP 44 2HB TRP 44 -9.715 13.590 1.119 306 HB3 TRP 44 1HB TRP 44 -9.394 12.047 0.329 307 HD1 TRP 44 HD TRP 44 -8.441 10.382 2.828 308 HE1 TRP 44 1HE TRP 44 -10.144 9.696 4.637 309 HE3 TRP 44 3HE TRP 44 -12.093 13.846 1.961 310 HZ2 TRP 44 2HZ TRP 44 -12.717 10.507 5.589 311 HZ3 TRP 44 3HZ TRP 44 -14.157 13.866 3.333 312 HH2 TRP 44 HH TRP 44 -14.474 12.202 5.144 313 H ASN 45 H ASN 45 -8.162 15.022 2.641 314 HA ASN 45 HA ASN 45 -8.039 14.092 5.378 315 HB2 ASN 45 2HB ASN 45 -6.164 15.800 5.872 316 HB3 ASN 45 1HB ASN 45 -5.705 14.247 5.177 317 HD21 ASN 45 1HD2 ASN 45 -5.944 17.705 4.535 318 HD22 ASN 45 2HD2 ASN 45 -5.165 17.662 3.029 319 H ASN 46 H ASN 46 -9.043 16.184 3.002 320 HA ASN 46 HA ASN 46 -10.644 17.717 4.813 321 HB2 ASN 46 2HB ASN 46 -8.374 18.841 4.964 322 HB3 ASN 46 1HB ASN 46 -8.575 19.286 3.270 323 HD21 ASN 46 1HD2 ASN 46 -8.692 20.849 6.009 324 HD22 ASN 46 2HD2 ASN 46 -10.089 21.796 5.829 325 H SER 47 H SER 47 -12.493 18.097 3.780 326 HA SER 47 HA SER 47 -13.068 17.384 1.182 327 HB2 SER 47 2HB SER 47 -14.922 17.782 2.568 328 HB3 SER 47 1HB SER 47 -14.339 19.372 3.047 329 HG SER 47 HG SER 47 -15.148 20.201 1.276 330 H SER 48 H SER 48 -11.954 18.054 -0.553 331 HA SER 48 HA SER 48 -12.225 20.692 -1.539 332 HB2 SER 48 2HB SER 48 -9.642 21.106 -1.490 333 HB3 SER 48 1HB SER 48 -10.615 21.526 -0.084 334 HG SER 48 HG SER 48 -8.846 20.313 0.575 335 H LEU 49 H LEU 49 -9.193 18.960 -1.845 336 HA LEU 49 HA LEU 49 -9.881 18.360 -4.644 337 HB2 LEU 49 2HB LEU 49 -7.193 18.391 -3.251 338 HB3 LEU 49 1HB LEU 49 -7.456 18.107 -4.972 339 HG LEU 49 HG LEU 49 -8.843 20.502 -4.208 340 HD11 LEU 49 1HD1 LEU 49 -6.944 21.879 -3.500 341 HD12 LEU 49 2HD1 LEU 49 -5.884 20.469 -3.532 342 HD13 LEU 49 3HD1 LEU 49 -7.189 20.567 -2.349 343 HD21 LEU 49 1HD2 LEU 49 -6.356 20.073 -5.894 344 HD22 LEU 49 2HD2 LEU 49 -7.438 21.463 -5.972 345 HD23 LEU 49 3HD2 LEU 49 -8.010 19.870 -6.470 346 H ASN 50 H ASN 50 -8.085 16.357 -5.183 347 HA ASN 50 HA ASN 50 -8.620 14.171 -3.305 348 HB2 ASN 50 2HB ASN 50 -10.367 14.514 -5.344 349 HB3 ASN 50 1HB ASN 50 -9.158 13.509 -6.139 350 HD21 ASN 50 1HD2 ASN 50 -11.759 13.496 -3.834 351 HD22 ASN 50 2HD2 ASN 50 -11.622 11.864 -3.384 352 H ARG 51 H ARG 51 -6.899 12.879 -3.122 353 HA ARG 51 HA ARG 51 -4.729 13.176 -5.093 354 HB2 ARG 51 2HB ARG 51 -4.645 12.023 -2.295 355 HB3 ARG 51 1HB ARG 51 -3.258 12.312 -3.347 356 HG2 ARG 51 2HG ARG 51 -4.238 14.772 -3.419 357 HG3 ARG 51 1HG ARG 51 -4.978 14.287 -1.893 358 HD2 ARG 51 2HD ARG 51 -2.073 14.563 -2.585 359 HD3 ARG 51 1HD ARG 51 -2.937 15.134 -1.160 360 HE ARG 51 HE ARG 51 -2.965 12.288 -1.261 361 HH11 ARG 51 1HH1 ARG 51 -1.596 11.176 0.171 362 HH12 ARG 51 2HH1 ARG 51 -0.264 12.004 0.907 363 HH21 ARG 51 1HH2 ARG 51 -0.940 15.027 -0.651 364 HH22 ARG 51 2HH2 ARG 51 0.107 14.184 0.442 365 H PHE 52 H PHE 52 -4.555 11.628 -6.570 366 HA PHE 52 HA PHE 52 -5.610 8.942 -5.966 367 HB2 PHE 52 2HB PHE 52 -4.949 10.300 -8.587 368 HB3 PHE 52 1HB PHE 52 -5.462 8.619 -8.446 369 HD1 PHE 52 1HD PHE 52 -6.561 11.995 -8.763 370 HD2 PHE 52 2HD PHE 52 -7.674 8.183 -7.125 371 HE1 PHE 52 1HE PHE 52 -8.932 12.721 -8.683 372 HE2 PHE 52 2HE PHE 52 -10.044 8.910 -7.044 373 HZ PHE 52 HZ PHE 52 -10.672 11.179 -7.823 374 H GLU 53 H GLU 53 -4.193 7.421 -5.417 375 HA GLU 53 HA GLU 53 -1.364 7.771 -6.149 376 HB2 GLU 53 2HB GLU 53 -2.661 6.950 -3.775 377 HB3 GLU 53 1HB GLU 53 -1.829 5.531 -4.413 378 HG2 GLU 53 2HG GLU 53 0.246 6.891 -4.643 379 HG3 GLU 53 1HG GLU 53 -0.594 8.251 -3.899 380 H PHE 54 H PHE 54 -0.280 6.320 -7.389 381 HA PHE 54 HA PHE 54 -1.559 3.792 -8.125 382 HB2 PHE 54 2HB PHE 54 -1.232 6.118 -9.923 383 HB3 PHE 54 1HB PHE 54 -0.719 4.565 -10.582 384 HD1 PHE 54 1HD PHE 54 -2.317 2.695 -10.799 385 HD2 PHE 54 2HD PHE 54 -3.556 6.563 -9.405 386 HE1 PHE 54 1HE PHE 54 -4.686 2.074 -11.188 387 HE2 PHE 54 2HE PHE 54 -5.927 5.942 -9.793 388 HZ PHE 54 HZ PHE 54 -6.492 3.698 -10.684 389 H GLY 55 H GLY 55 -0.087 2.218 -8.115 390 HA2 GLY 55 2HA GLY 55 2.499 2.415 -9.251 391 HA3 GLY 55 1HA GLY 55 2.612 2.597 -7.502 392 H GLY 56 H GLY 56 3.893 0.580 -7.710 393 HA2 GLY 56 2HA GLY 56 2.111 -1.760 -7.495 394 HA3 GLY 56 1HA GLY 56 3.546 -1.849 -8.514 395 H GLY 57 H GLY 57 2.876 -3.416 -6.128 396 HA2 GLY 57 2HA GLY 57 4.939 -2.516 -4.220 397 HA3 GLY 57 1HA GLY 57 3.661 -3.675 -3.870 398 H LEU 58 H LEU 58 6.513 -4.001 -3.453 399 HA LEU 58 HA LEU 58 7.057 -6.254 -5.297 400 HB2 LEU 58 2HB LEU 58 9.094 -4.614 -3.777 401 HB3 LEU 58 1HB LEU 58 9.417 -5.852 -4.991 402 HG LEU 58 HG LEU 58 7.941 -3.247 -5.483 403 HD11 LEU 58 1HD1 LEU 58 9.936 -2.328 -5.982 404 HD12 LEU 58 2HD1 LEU 58 10.365 -3.696 -7.009 405 HD13 LEU 58 3HD1 LEU 58 10.698 -3.752 -5.279 406 HD21 LEU 58 1HD2 LEU 58 8.468 -4.098 -7.928 407 HD22 LEU 58 2HD2 LEU 58 7.050 -4.706 -7.070 408 HD23 LEU 58 3HD2 LEU 58 8.519 -5.679 -7.148 409 H GLN 59 H GLN 59 7.487 -8.215 -4.436 410 HA GLN 59 HA GLN 59 7.779 -8.429 -1.506 411 HB2 GLN 59 2HB GLN 59 6.134 -10.076 -1.325 412 HB3 GLN 59 1HB GLN 59 5.415 -8.948 -2.476 413 HG2 GLN 59 2HG GLN 59 6.578 -10.413 -4.287 414 HG3 GLN 59 1HG GLN 59 6.686 -11.624 -3.010 415 HE21 GLN 59 1HE2 GLN 59 4.088 -9.281 -3.920 416 HE22 GLN 59 2HE2 GLN 59 2.873 -10.461 -4.030 417 H TYR 60 H TYR 60 8.619 -10.593 -0.844 418 HA TYR 60 HA TYR 60 10.328 -11.814 -2.928 419 HB2 TYR 60 2HB TYR 60 11.255 -10.231 -0.835 420 HB3 TYR 60 1HB TYR 60 11.508 -11.883 -0.269 421 HD1 TYR 60 1HD TYR 60 12.879 -13.473 -1.599 422 HD2 TYR 60 2HD TYR 60 12.484 -9.343 -2.708 423 HE1 TYR 60 1HE TYR 60 14.840 -13.689 -3.102 424 HE2 TYR 60 2HE TYR 60 14.445 -9.559 -4.211 425 HH TYR 60 HH TYR 60 15.538 -11.788 -5.493 426 H LYS 61 H LYS 61 10.718 -14.023 -2.720 427 HA LYS 61 HA LYS 61 8.768 -15.442 -1.066 428 HB2 LYS 61 2HB LYS 61 9.765 -15.844 -3.637 429 HB3 LYS 61 1HB LYS 61 10.524 -17.112 -2.673 430 HG2 LYS 61 2HG LYS 61 8.310 -17.765 -1.789 431 HG3 LYS 61 1HG LYS 61 7.553 -16.512 -2.773 432 HD2 LYS 61 2HD LYS 61 8.099 -17.606 -4.797 433 HD3 LYS 61 1HD LYS 61 9.303 -18.633 -4.015 434 HE2 LYS 61 2HE LYS 61 6.461 -18.804 -3.085 435 HE3 LYS 61 1HE LYS 61 6.898 -19.585 -4.606 436 HZ1 LYS 61 1HZ LYS 61 7.169 -21.123 -2.799 437 HZ2 LYS 61 2HZ LYS 61 8.170 -20.036 -1.961 438 HZ3 LYS 61 3HZ LYS 61 8.697 -20.729 -3.418 439 H VAL 62 H VAL 62 9.392 -15.855 0.963 440 HA VAL 62 HA VAL 62 11.996 -17.158 1.370 441 HB VAL 62 HB VAL 62 11.073 -15.096 3.345 442 HG11 VAL 62 1HG1 VAL 62 13.809 -16.097 2.496 443 HG12 VAL 62 2HG1 VAL 62 12.904 -16.701 3.884 444 HG13 VAL 62 3HG1 VAL 62 13.464 -15.029 3.856 445 HG21 VAL 62 1HG2 VAL 62 12.649 -14.613 0.798 446 HG22 VAL 62 2HG2 VAL 62 12.580 -13.475 2.144 447 HG23 VAL 62 3HG2 VAL 62 11.113 -13.872 1.249 448 H THR 63 H THR 63 8.926 -16.172 2.895 449 HA THR 63 HA THR 63 8.752 -18.851 4.096 450 HB THR 63 HB THR 63 8.927 -18.061 6.192 451 HG1 THR 63 1HG THR 63 7.126 -15.988 5.506 452 HG21 THR 63 1HG2 THR 63 9.719 -15.756 6.541 453 HG22 THR 63 2HG2 THR 63 9.264 -15.347 4.888 454 HG23 THR 63 3HG2 THR 63 10.556 -16.508 5.184 455 HA PRO 64 HA PRO 64 4.498 -19.135 3.032 456 HB2 PRO 64 2HB PRO 64 3.732 -18.586 5.877 457 HB3 PRO 64 1HB PRO 64 3.172 -19.868 4.785 458 HG2 PRO 64 2HG PRO 64 4.970 -20.340 6.698 459 HG3 PRO 64 1HG PRO 64 5.028 -21.163 5.131 460 HD2 PRO 64 2HD PRO 64 6.820 -19.065 6.203 461 HD3 PRO 64 1HD PRO 64 7.129 -20.277 4.942 462 H ASP 65 H ASP 65 5.712 -16.336 4.620 463 HA ASP 65 HA ASP 65 4.422 -14.457 3.085 464 HB2 ASP 65 2HB ASP 65 2.736 -13.637 4.945 465 HB3 ASP 65 1HB ASP 65 2.252 -14.854 3.771 466 H LEU 66 H LEU 66 6.793 -14.099 3.705 467 HA LEU 66 HA LEU 66 6.862 -11.908 5.602 468 HB2 LEU 66 2HB LEU 66 7.705 -14.509 6.429 469 HB3 LEU 66 1HB LEU 66 9.133 -13.483 6.285 470 HG LEU 66 HG LEU 66 6.614 -12.717 7.790 471 HD11 LEU 66 1HD1 LEU 66 7.988 -14.629 8.768 472 HD12 LEU 66 2HD1 LEU 66 7.800 -13.217 9.809 473 HD13 LEU 66 3HD1 LEU 66 9.311 -13.474 8.936 474 HD21 LEU 66 1HD2 LEU 66 8.971 -11.286 8.558 475 HD22 LEU 66 2HD2 LEU 66 7.509 -10.649 7.809 476 HD23 LEU 66 3HD2 LEU 66 8.840 -11.215 6.802 477 H GLU 67 H GLU 67 7.661 -10.433 4.220 478 HA GLU 67 HA GLU 67 10.367 -10.704 3.298 479 HB2 GLU 67 2HB GLU 67 9.423 -10.176 0.841 480 HB3 GLU 67 1HB GLU 67 9.736 -11.820 1.397 481 HG2 GLU 67 2HG GLU 67 7.449 -11.400 0.323 482 HG3 GLU 67 1HG GLU 67 7.437 -12.196 1.894 483 HA PRO 68 HA PRO 68 10.143 -6.302 3.566 484 HB2 PRO 68 2HB PRO 68 11.746 -5.552 1.418 485 HB3 PRO 68 1HB PRO 68 12.345 -6.020 3.019 486 HG2 PRO 68 2HG PRO 68 12.193 -7.608 0.517 487 HG3 PRO 68 1HG PRO 68 13.418 -7.623 1.797 488 HD2 PRO 68 2HD PRO 68 11.542 -9.575 1.569 489 HD3 PRO 68 1HD PRO 68 12.193 -9.063 3.142 490 H TYR 69 H TYR 69 9.161 -4.457 2.584 491 HA TYR 69 HA TYR 69 7.606 -5.062 0.138 492 HB2 TYR 69 2HB TYR 69 6.511 -4.663 2.556 493 HB3 TYR 69 1HB TYR 69 6.643 -2.984 2.030 494 HD1 TYR 69 1HD TYR 69 5.322 -6.332 1.064 495 HD2 TYR 69 2HD TYR 69 5.195 -2.096 0.365 496 HE1 TYR 69 1HE TYR 69 3.341 -6.633 -0.397 497 HE2 TYR 69 2HE TYR 69 3.214 -2.397 -1.096 498 HH TYR 69 HH TYR 69 2.094 -4.046 -2.355 499 H ALA 70 H ALA 70 7.796 -3.714 -1.532 500 HA ALA 70 HA ALA 70 8.993 -1.050 -1.085 501 HB1 ALA 70 1HB ALA 70 10.748 -1.452 -2.436 502 HB2 ALA 70 2HB ALA 70 9.737 -2.258 -3.637 503 HB3 ALA 70 3HB ALA 70 10.354 -3.162 -2.256 504 H TRP 71 H TRP 71 7.736 0.496 -1.880 505 HA TRP 71 HA TRP 71 5.950 -0.149 -4.152 506 HB2 TRP 71 2HB TRP 71 4.177 0.947 -3.163 507 HB3 TRP 71 1HB TRP 71 4.970 0.282 -1.736 508 HD1 TRP 71 HD TRP 71 6.806 2.006 -0.533 509 HE1 TRP 71 1HE TRP 71 6.591 4.549 -0.163 510 HE3 TRP 71 3HE TRP 71 3.209 3.098 -3.989 511 HZ2 TRP 71 2HZ TRP 71 5.092 6.754 -1.197 512 HZ3 TRP 71 3HZ TRP 71 2.407 5.425 -4.277 513 HH2 TRP 71 HH TRP 71 3.342 7.253 -2.886 514 H ALA 72 H ALA 72 5.954 1.222 -5.842 515 HA ALA 72 HA ALA 72 7.209 3.862 -5.551 516 HB1 ALA 72 1HB ALA 72 8.423 3.370 -7.766 517 HB2 ALA 72 2HB ALA 72 8.118 1.671 -7.409 518 HB3 ALA 72 3HB ALA 72 9.086 2.645 -6.301 519 H GLY 73 H GLY 73 6.198 5.402 -6.711 520 HA2 GLY 73 2HA GLY 73 4.938 5.087 -9.196 521 HA3 GLY 73 1HA GLY 73 3.711 4.895 -7.946 522 H ALA 74 H ALA 74 2.767 6.847 -8.902 523 HA ALA 74 HA ALA 74 3.928 9.261 -7.681 524 HB1 ALA 74 1HB ALA 74 2.673 9.473 -10.392 525 HB2 ALA 74 2HB ALA 74 4.354 8.954 -10.263 526 HB3 ALA 74 3HB ALA 74 3.864 10.523 -9.624 527 H THR 75 H THR 75 2.381 10.951 -7.298 528 HA THR 75 HA THR 75 -0.360 9.905 -6.990 529 HB THR 75 HB THR 75 1.001 12.224 -5.598 530 HG1 THR 75 1HG THR 75 0.344 10.383 -3.909 531 HG21 THR 75 1HG2 THR 75 -1.241 11.340 -4.167 532 HG22 THR 75 2HG2 THR 75 -1.769 11.401 -5.848 533 HG23 THR 75 3HG2 THR 75 -1.100 12.841 -5.081 534 H TYR 76 H TYR 76 -1.875 10.646 -8.321 535 HA TYR 76 HA TYR 76 -1.346 13.086 -9.868 536 HB2 TYR 76 2HB TYR 76 -2.720 10.575 -10.377 537 HB3 TYR 76 1HB TYR 76 -3.734 11.964 -10.770 538 HD1 TYR 76 1HD TYR 76 -0.566 10.226 -11.508 539 HD2 TYR 76 2HD TYR 76 -3.109 13.538 -12.517 540 HE1 TYR 76 1HE TYR 76 0.745 10.600 -13.579 541 HE2 TYR 76 2HE TYR 76 -1.798 13.912 -14.589 542 HH TYR 76 HH TYR 76 0.381 11.647 -15.819 543 H ASN 77 H ASN 77 -2.110 14.913 -9.025 544 HA ASN 77 HA ASN 77 -4.370 14.885 -7.191 545 HB2 ASN 77 2HB ASN 77 -2.850 17.281 -8.230 546 HB3 ASN 77 1HB ASN 77 -3.845 17.185 -6.778 547 HD21 ASN 77 1HD2 ASN 77 -2.506 17.158 -4.971 548 HD22 ASN 77 2HD2 ASN 77 -1.047 16.299 -4.854 549 H THR 78 H THR 78 -6.310 16.018 -7.511 550 HA THR 78 HA THR 78 -7.603 15.747 -9.920 551 HB THR 78 HB THR 78 -8.707 18.062 -8.747 552 HG1 THR 78 1HG THR 78 -7.467 17.837 -6.944 553 HG21 THR 78 1HG2 THR 78 -9.925 16.122 -9.664 554 HG22 THR 78 2HG2 THR 78 -10.445 16.476 -8.016 555 HG23 THR 78 3HG2 THR 78 -9.349 15.129 -8.326 556 H ASP 79 H ASP 79 -5.372 18.227 -8.950 557 HA ASP 79 HA ASP 79 -6.089 20.056 -11.077 558 HB2 ASP 79 2HB ASP 79 -3.936 19.968 -8.982 559 HB3 ASP 79 1HB ASP 79 -3.844 21.119 -10.315 560 H ASN 80 H ASN 80 -5.185 17.211 -11.617 561 HA ASN 80 HA ASN 80 -3.876 16.086 -13.137 562 HB2 ASN 80 2HB ASN 80 -3.429 18.722 -14.515 563 HB3 ASN 80 1HB ASN 80 -3.617 17.120 -15.227 564 HD21 ASN 80 1HD2 ASN 80 -5.945 16.717 -13.171 565 HD22 ASN 80 2HD2 ASN 80 -7.249 17.507 -13.916 566 H THR 81 H THR 81 -2.576 17.189 -10.788 567 HA THR 81 HA THR 81 0.095 17.889 -11.816 568 HB THR 81 HB THR 81 -0.671 17.886 -8.910 569 HG1 THR 81 1HG THR 81 -2.249 19.119 -9.832 570 HG21 THR 81 1HG2 THR 81 1.016 19.675 -8.838 571 HG22 THR 81 2HG2 THR 81 1.209 19.572 -10.589 572 HG23 THR 81 3HG2 THR 81 1.690 18.216 -9.566 573 H LEU 82 H LEU 82 1.786 16.533 -11.632 574 HA LEU 82 HA LEU 82 1.281 13.901 -10.406 575 HB2 LEU 82 2HB LEU 82 3.460 13.369 -11.738 576 HB3 LEU 82 1HB LEU 82 1.938 13.532 -12.615 577 HG LEU 82 HG LEU 82 3.476 16.038 -12.189 578 HD11 LEU 82 1HD1 LEU 82 5.368 14.768 -12.788 579 HD12 LEU 82 2HD1 LEU 82 4.794 15.391 -14.335 580 HD13 LEU 82 3HD1 LEU 82 4.440 13.728 -13.868 581 HD21 LEU 82 1HD2 LEU 82 1.271 15.655 -13.492 582 HD22 LEU 82 2HD2 LEU 82 2.290 14.921 -14.732 583 HD23 LEU 82 3HD2 LEU 82 2.526 16.609 -14.282 584 H VAL 83 H VAL 83 2.648 13.047 -8.870 585 HA VAL 83 HA VAL 83 4.926 14.680 -7.977 586 HB VAL 83 HB VAL 83 2.937 13.560 -6.012 587 HG11 VAL 83 1HG1 VAL 83 4.804 15.893 -5.650 588 HG12 VAL 83 2HG1 VAL 83 5.404 14.244 -5.482 589 HG13 VAL 83 3HG1 VAL 83 4.117 14.824 -4.427 590 HG21 VAL 83 1HG2 VAL 83 2.197 16.000 -5.828 591 HG22 VAL 83 2HG2 VAL 83 1.657 15.143 -7.271 592 HG23 VAL 83 3HG2 VAL 83 3.014 16.263 -7.369 593 HA PRO 84 HA PRO 84 6.020 10.176 -8.434 594 HB2 PRO 84 2HB PRO 84 8.701 11.483 -8.416 595 HB3 PRO 84 1HB PRO 84 8.066 10.226 -9.493 596 HG2 PRO 84 2HG PRO 84 8.337 12.752 -10.298 597 HG3 PRO 84 1HG PRO 84 6.994 11.733 -10.845 598 HD2 PRO 84 2HD PRO 84 6.974 13.977 -8.875 599 HD3 PRO 84 1HD PRO 84 5.692 13.431 -9.980 600 H ALA 85 H ALA 85 6.262 8.904 -6.683 601 HA ALA 85 HA ALA 85 7.912 9.835 -4.435 602 HB1 ALA 85 1HB ALA 85 5.640 10.460 -3.823 603 HB2 ALA 85 2HB ALA 85 6.161 9.095 -2.834 604 HB3 ALA 85 3HB ALA 85 5.066 8.834 -4.191 605 H ALA 86 H ALA 86 8.391 8.065 -2.893 606 HA ALA 86 HA ALA 86 7.919 5.341 -3.674 607 HB1 ALA 86 1HB ALA 86 10.818 5.832 -3.706 608 HB2 ALA 86 2HB ALA 86 9.951 6.528 -5.075 609 HB3 ALA 86 3HB ALA 86 9.835 4.799 -4.744 610 H GLY 87 H GLY 87 8.313 3.950 -2.001 611 HA2 GLY 87 2HA GLY 87 9.960 4.824 0.254 612 HA3 GLY 87 1HA GLY 87 8.252 4.543 0.578 613 H ALA 88 H ALA 88 9.426 2.959 2.088 614 HA ALA 88 HA ALA 88 9.227 0.321 0.888 615 HB1 ALA 88 1HB ALA 88 11.522 0.566 0.434 616 HB2 ALA 88 2HB ALA 88 11.490 -0.298 1.971 617 HB3 ALA 88 3HB ALA 88 11.819 1.433 1.939 618 H GLY 89 H GLY 89 9.226 -1.391 2.514 619 HA2 GLY 89 2HA GLY 89 9.190 -0.719 5.312 620 HA3 GLY 89 1HA GLY 89 7.576 -0.973 4.656 621 H PHE 90 H PHE 90 7.487 -2.768 6.183 622 HA PHE 90 HA PHE 90 8.688 -5.210 5.033 623 HB2 PHE 90 2HB PHE 90 8.592 -4.344 7.917 624 HB3 PHE 90 1HB PHE 90 8.727 -6.044 7.470 625 HD1 PHE 90 1HD PHE 90 10.364 -2.727 7.263 626 HD2 PHE 90 2HD PHE 90 10.753 -6.939 6.518 627 HE1 PHE 90 1HE PHE 90 12.796 -2.433 6.876 628 HE2 PHE 90 2HE PHE 90 13.184 -6.646 6.129 629 HZ PHE 90 HZ PHE 90 14.205 -4.393 6.309 630 H ARG 91 H ARG 91 7.379 -7.002 4.988 631 HA ARG 91 HA ARG 91 4.572 -6.576 5.829 632 HB2 ARG 91 2HB ARG 91 4.737 -6.735 3.420 633 HB3 ARG 91 1HB ARG 91 5.702 -8.207 3.545 634 HG2 ARG 91 2HG ARG 91 3.883 -9.514 3.933 635 HG3 ARG 91 1HG ARG 91 3.133 -8.316 4.990 636 HD2 ARG 91 2HD ARG 91 1.851 -8.705 2.873 637 HD3 ARG 91 1HD ARG 91 2.360 -7.032 3.086 638 HE ARG 91 HE ARG 91 3.793 -7.277 1.259 639 HH11 ARG 91 1HH1 ARG 91 4.570 -8.425 -0.541 640 HH12 ARG 91 2HH1 ARG 91 4.276 -10.127 -0.668 641 HH21 ARG 91 1HH2 ARG 91 2.535 -10.320 2.324 642 HH22 ARG 91 2HH2 ARG 91 3.123 -11.200 0.954 643 H TYR 92 H TYR 92 4.214 -7.633 7.665 644 HA TYR 92 HA TYR 92 5.173 -10.421 7.896 645 HB2 TYR 92 2HB TYR 92 6.510 -9.338 9.479 646 HB3 TYR 92 1HB TYR 92 5.241 -8.192 9.908 647 HD1 TYR 92 1HD TYR 92 4.483 -8.517 12.092 648 HD2 TYR 92 2HD TYR 92 5.429 -11.936 9.669 649 HE1 TYR 92 1HE TYR 92 3.749 -10.019 13.923 650 HE2 TYR 92 2HE TYR 92 4.694 -13.436 11.501 651 HH TYR 92 HH TYR 92 4.420 -13.357 13.942 652 H LYS 93 H LYS 93 3.437 -11.688 7.731 653 HA LYS 93 HA LYS 93 0.781 -10.792 8.286 654 HB2 LYS 93 2HB LYS 93 1.474 -12.603 6.631 655 HB3 LYS 93 1HB LYS 93 1.664 -13.667 8.026 656 HG2 LYS 93 2HG LYS 93 -0.733 -12.937 8.664 657 HG3 LYS 93 1HG LYS 93 -0.849 -12.340 7.008 658 HD2 LYS 93 2HD LYS 93 0.206 -14.832 6.599 659 HD3 LYS 93 1HD LYS 93 -0.817 -15.118 8.008 660 HE2 LYS 93 2HE LYS 93 -1.661 -13.937 5.348 661 HE3 LYS 93 1HE LYS 93 -2.175 -15.475 6.044 662 HZ1 LYS 93 1HZ LYS 93 -3.882 -13.900 6.443 663 HZ2 LYS 93 2HZ LYS 93 -2.785 -12.751 7.047 664 HZ3 LYS 93 3HZ LYS 93 -3.108 -14.167 7.927 665 H VAL 94 H VAL 94 0.231 -10.313 10.332 666 HA VAL 94 HA VAL 94 1.330 -11.597 12.628 667 HB VAL 94 HB VAL 94 -0.973 -9.716 12.171 668 HG11 VAL 94 1HG1 VAL 94 -0.281 -11.302 14.635 669 HG12 VAL 94 2HG1 VAL 94 -1.868 -10.963 13.947 670 HG13 VAL 94 3HG1 VAL 94 -0.981 -9.689 14.784 671 HG21 VAL 94 1HG2 VAL 94 1.370 -9.369 14.026 672 HG22 VAL 94 2HG2 VAL 94 0.431 -8.136 13.183 673 HG23 VAL 94 3HG2 VAL 94 1.583 -9.130 12.292 674 H SER 95 H SER 95 -2.101 -11.509 11.661 675 HA SER 95 HA SER 95 -2.392 -14.234 12.746 676 HB2 SER 95 2HB SER 95 -4.269 -13.452 13.686 677 HB3 SER 95 1HB SER 95 -3.959 -11.869 12.982 678 HG SER 95 HG SER 95 -5.041 -12.546 11.118 679 HA PRO 96 HA PRO 96 -3.205 -15.916 8.765 680 HB2 PRO 96 2HB PRO 96 -5.240 -17.677 9.235 681 HB3 PRO 96 1HB PRO 96 -3.570 -17.953 9.770 682 HG2 PRO 96 2HG PRO 96 -5.920 -16.989 11.321 683 HG3 PRO 96 1HG PRO 96 -4.624 -18.097 11.803 684 HD2 PRO 96 2HD PRO 96 -4.692 -15.458 12.551 685 HD3 PRO 96 1HD PRO 96 -3.187 -16.386 12.370 686 H GLU 97 H GLU 97 -5.582 -14.049 10.311 687 HA GLU 97 HA GLU 97 -7.349 -14.084 7.945 688 HB2 GLU 97 2HB GLU 97 -7.871 -12.974 10.712 689 HB3 GLU 97 1HB GLU 97 -9.035 -13.065 9.387 690 HG2 GLU 97 2HG GLU 97 -8.335 -15.630 9.416 691 HG3 GLU 97 1HG GLU 97 -7.921 -15.259 11.089 692 H VAL 98 H VAL 98 -5.227 -12.078 9.859 693 HA VAL 98 HA VAL 98 -5.631 -9.893 7.915 694 HB VAL 98 HB VAL 98 -6.823 -9.151 9.849 695 HG11 VAL 98 1HG1 VAL 98 -4.463 -10.316 11.301 696 HG12 VAL 98 2HG1 VAL 98 -6.184 -10.549 11.609 697 HG13 VAL 98 3HG1 VAL 98 -5.406 -9.033 12.057 698 HG21 VAL 98 1HG2 VAL 98 -5.696 -7.135 10.273 699 HG22 VAL 98 2HG2 VAL 98 -4.974 -7.657 8.749 700 HG23 VAL 98 3HG2 VAL 98 -4.110 -7.910 10.266 701 H LYS 99 H LYS 99 -3.815 -8.553 7.567 702 HA LYS 99 HA LYS 99 -1.249 -9.655 8.554 703 HB2 LYS 99 2HB LYS 99 -1.203 -8.281 5.950 704 HB3 LYS 99 1HB LYS 99 -0.409 -9.772 6.454 705 HG2 LYS 99 2HG LYS 99 -2.683 -10.893 6.359 706 HG3 LYS 99 1HG LYS 99 -3.289 -9.425 5.590 707 HD2 LYS 99 2HD LYS 99 -1.632 -9.670 3.785 708 HD3 LYS 99 1HD LYS 99 -1.000 -11.126 4.555 709 HE2 LYS 99 2HE LYS 99 -2.827 -12.402 3.966 710 HE3 LYS 99 1HE LYS 99 -3.931 -11.027 3.999 711 HZ1 LYS 99 1HZ LYS 99 -1.800 -11.192 1.970 712 HZ2 LYS 99 2HZ LYS 99 -3.262 -10.326 1.918 713 HZ3 LYS 99 3HZ LYS 99 -3.265 -12.016 1.743 714 H LEU 100 H LEU 100 0.290 -8.202 9.191 715 HA LEU 100 HA LEU 100 -0.582 -5.391 9.349 716 HB2 LEU 100 2HB LEU 100 -0.075 -6.604 11.481 717 HB3 LEU 100 1HB LEU 100 1.587 -6.792 10.927 718 HG LEU 100 HG LEU 100 1.776 -4.308 10.742 719 HD11 LEU 100 1HD1 LEU 100 -0.135 -3.187 12.243 720 HD12 LEU 100 2HD1 LEU 100 -1.084 -4.519 11.586 721 HD13 LEU 100 3HD1 LEU 100 -0.315 -3.365 10.498 722 HD21 LEU 100 1HD2 LEU 100 1.818 -3.892 13.195 723 HD22 LEU 100 2HD2 LEU 100 2.547 -5.442 12.771 724 HD23 LEU 100 3HD2 LEU 100 0.917 -5.388 13.444 725 H VAL 101 H VAL 101 0.646 -3.748 8.551 726 HA VAL 101 HA VAL 101 3.264 -4.392 7.374 727 HB VAL 101 HB VAL 101 2.742 -3.578 5.256 728 HG11 VAL 101 1HG1 VAL 101 0.103 -4.741 6.197 729 HG12 VAL 101 2HG1 VAL 101 1.522 -5.703 5.783 730 HG13 VAL 101 3HG1 VAL 101 0.722 -4.735 4.546 731 HG21 VAL 101 1HG2 VAL 101 0.507 -2.145 6.684 732 HG22 VAL 101 2HG2 VAL 101 0.461 -2.354 4.934 733 HG23 VAL 101 3HG2 VAL 101 1.789 -1.466 5.683 734 H VAL 102 H VAL 102 4.667 -2.597 7.170 735 HA VAL 102 HA VAL 102 3.769 -0.023 8.199 736 HB VAL 102 HB VAL 102 6.235 -1.301 9.366 737 HG11 VAL 102 1HG1 VAL 102 5.445 1.264 9.386 738 HG12 VAL 102 2HG1 VAL 102 6.262 0.527 10.766 739 HG13 VAL 102 3HG1 VAL 102 4.505 0.685 10.763 740 HG21 VAL 102 1HG2 VAL 102 3.389 -1.405 10.415 741 HG22 VAL 102 2HG2 VAL 102 4.815 -1.814 11.367 742 HG23 VAL 102 3HG2 VAL 102 4.390 -2.782 9.956 743 H GLU 103 H GLU 103 4.324 1.231 6.579 744 HA GLU 103 HA GLU 103 7.092 1.119 5.570 745 HB2 GLU 103 2HB GLU 103 5.199 1.925 3.515 746 HB3 GLU 103 1HB GLU 103 6.476 0.710 3.449 747 HG2 GLU 103 2HG GLU 103 4.990 -0.875 4.667 748 HG3 GLU 103 1HG GLU 103 3.706 0.332 4.622 749 H TYR 104 H TYR 104 7.910 3.087 4.751 750 HA TYR 104 HA TYR 104 6.358 5.489 5.519 751 HB2 TYR 104 2HB TYR 104 9.082 6.150 5.630 752 HB3 TYR 104 1HB TYR 104 7.984 5.947 6.994 753 HD1 TYR 104 1HD TYR 104 10.449 4.222 4.824 754 HD2 TYR 104 2HD TYR 104 8.046 3.984 8.377 755 HE1 TYR 104 1HE TYR 104 11.696 2.198 5.532 756 HE2 TYR 104 2HE TYR 104 9.292 1.960 9.084 757 HH TYR 104 HH TYR 104 11.243 0.779 8.706 758 H GLY 105 H GLY 105 6.377 7.190 4.109 759 HA2 GLY 105 2HA GLY 105 7.416 6.628 1.431 760 HA3 GLY 105 1HA GLY 105 6.276 7.899 1.861 761 H TRP 106 H TRP 106 8.871 7.929 0.345 762 HA TRP 106 HA TRP 106 9.974 10.288 1.666 763 HB2 TRP 106 2HB TRP 106 11.449 8.750 2.652 764 HB3 TRP 106 1HB TRP 106 11.514 7.743 1.206 765 HD1 TRP 106 HD TRP 106 12.899 10.966 2.690 766 HE1 TRP 106 1HE TRP 106 14.898 11.751 1.265 767 HE3 TRP 106 3HE TRP 106 12.563 7.666 -1.192 768 HZ2 TRP 106 2HZ TRP 106 16.184 11.068 -1.197 769 HZ3 TRP 106 3HZ TRP 106 14.186 7.755 -3.062 770 HH2 TRP 106 HH TRP 106 15.996 9.451 -3.070 771 H ASN 107 H ASN 107 11.496 11.453 0.247 772 HA ASN 107 HA ASN 107 11.637 10.715 -2.540 773 HB2 ASN 107 2HB ASN 107 9.303 11.700 -2.198 774 HB3 ASN 107 1HB ASN 107 10.113 13.236 -1.891 775 HD21 ASN 107 1HD2 ASN 107 8.960 13.956 -3.944 776 HD22 ASN 107 2HD2 ASN 107 9.672 13.580 -5.438 777 H ASN 108 H ASN 108 12.842 12.329 -3.810 778 HA ASN 108 HA ASN 108 15.206 13.131 -2.653 779 HB2 ASN 108 2HB ASN 108 14.216 13.195 -5.177 780 HB3 ASN 108 1HB ASN 108 14.214 14.915 -4.789 781 HD21 ASN 108 1HD2 ASN 108 16.080 13.001 -6.478 782 HD22 ASN 108 2HD2 ASN 108 17.633 13.481 -5.984 783 H SER 109 H SER 109 15.552 14.481 -1.016 784 HA SER 109 HA SER 109 15.253 16.207 0.485 785 HB2 SER 109 2HB SER 109 14.573 17.878 -1.926 786 HB3 SER 109 1HB SER 109 15.453 18.350 -0.474 787 HG SER 109 HG SER 109 16.687 17.837 -2.487 788 H SER 110 H SER 110 13.258 15.107 1.241 789 HA SER 110 HA SER 110 11.052 16.979 1.238 790 HB2 SER 110 2HB SER 110 9.524 15.833 0.011 791 HB3 SER 110 1HB SER 110 10.944 15.125 -0.752 792 HG SER 110 HG SER 110 10.663 13.697 1.340 793 H LEU 111 H LEU 111 9.382 16.369 2.798 794 HA LEU 111 HA LEU 111 10.506 15.326 5.193 795 HB2 LEU 111 2HB LEU 111 7.627 15.921 4.469 796 HB3 LEU 111 1HB LEU 111 8.210 15.575 6.097 797 HG LEU 111 HG LEU 111 9.900 17.587 4.996 798 HD11 LEU 111 1HD1 LEU 111 8.209 19.374 4.614 799 HD12 LEU 111 2HD1 LEU 111 6.935 18.161 4.721 800 HD13 LEU 111 3HD1 LEU 111 8.108 18.093 3.407 801 HD21 LEU 111 1HD2 LEU 111 7.693 17.771 7.072 802 HD22 LEU 111 2HD2 LEU 111 9.061 18.872 6.909 803 HD23 LEU 111 3HD2 LEU 111 9.329 17.197 7.389 804 H GLN 112 H GLN 112 9.954 13.438 6.341 805 HA GLN 112 HA GLN 112 9.007 11.229 4.620 806 HB2 GLN 112 2HB GLN 112 11.292 10.928 5.410 807 HB3 GLN 112 1HB GLN 112 10.774 11.184 7.077 808 HG2 GLN 112 2HG GLN 112 9.264 9.103 5.632 809 HG3 GLN 112 1HG GLN 112 10.967 8.728 5.887 810 HE21 GLN 112 1HE2 GLN 112 11.415 7.775 7.874 811 HE22 GLN 112 2HE2 GLN 112 10.454 7.929 9.264 812 H PHE 113 H PHE 113 7.438 9.824 5.354 813 HA PHE 113 HA PHE 113 6.184 10.430 7.956 814 HB2 PHE 113 2HB PHE 113 4.007 9.802 6.482 815 HB3 PHE 113 1HB PHE 113 4.556 11.458 6.737 816 HD1 PHE 113 1HD PHE 113 3.899 8.907 4.307 817 HD2 PHE 113 2HD PHE 113 6.247 12.429 5.039 818 HE1 PHE 113 1HE PHE 113 4.282 9.159 1.870 819 HE2 PHE 113 2HE PHE 113 6.629 12.681 2.601 820 HZ PHE 113 HZ PHE 113 5.646 11.046 1.017 821 H LEU 114 H LEU 114 4.859 8.689 8.790 822 HA LEU 114 HA LEU 114 5.466 6.044 7.615 823 HB2 LEU 114 2HB LEU 114 5.647 5.210 10.000 824 HB3 LEU 114 1HB LEU 114 6.973 6.243 9.463 825 HG LEU 114 HG LEU 114 4.773 7.797 10.578 826 HD11 LEU 114 1HD1 LEU 114 5.262 7.085 12.951 827 HD12 LEU 114 2HD1 LEU 114 6.106 5.684 12.293 828 HD13 LEU 114 3HD1 LEU 114 4.379 5.887 12.005 829 HD21 LEU 114 1HD2 LEU 114 7.654 7.490 11.472 830 HD22 LEU 114 2HD2 LEU 114 6.590 8.866 11.766 831 HD23 LEU 114 3HD2 LEU 114 7.153 8.521 10.131 832 H GLN 115 H GLN 115 3.843 4.518 7.766 833 HA GLN 115 HA GLN 115 1.450 5.094 9.319 834 HB2 GLN 115 2HB GLN 115 -0.058 5.292 7.539 835 HB3 GLN 115 1HB GLN 115 1.314 6.266 7.007 836 HG2 GLN 115 2HG GLN 115 2.166 4.060 5.922 837 HG3 GLN 115 1HG GLN 115 0.502 3.510 6.106 838 HE21 GLN 115 1HE2 GLN 115 0.956 3.588 3.543 839 HE22 GLN 115 2HE2 GLN 115 0.466 5.028 2.789 840 H ALA 116 H ALA 116 -0.035 3.313 9.382 841 HA ALA 116 HA ALA 116 1.200 0.731 8.619 842 HB1 ALA 116 1HB ALA 116 -0.597 0.201 10.675 843 HB2 ALA 116 2HB ALA 116 0.181 1.704 11.170 844 HB3 ALA 116 3HB ALA 116 1.159 0.278 10.823 845 H GLY 117 H GLY 117 -0.138 -0.849 7.761 846 HA2 GLY 117 2HA GLY 117 -2.961 -0.129 7.304 847 HA3 GLY 117 1HA GLY 117 -1.941 -0.565 5.936 848 H LEU 118 H LEU 118 -4.313 -1.927 6.738 849 HA LEU 118 HA LEU 118 -3.205 -4.549 7.557 850 HB2 LEU 118 2HB LEU 118 -5.686 -3.114 8.340 851 HB3 LEU 118 1HB LEU 118 -5.825 -4.852 8.078 852 HG LEU 118 HG LEU 118 -3.983 -5.256 9.653 853 HD11 LEU 118 1HD1 LEU 118 -2.511 -3.499 9.683 854 HD12 LEU 118 2HD1 LEU 118 -3.503 -2.995 11.050 855 HD13 LEU 118 3HD1 LEU 118 -3.781 -2.296 9.455 856 HD21 LEU 118 1HD2 LEU 118 -6.434 -4.897 10.393 857 HD22 LEU 118 2HD2 LEU 118 -5.889 -3.326 10.983 858 HD23 LEU 118 3HD2 LEU 118 -5.192 -4.805 11.643 859 H SER 119 H SER 119 -3.362 -6.130 6.095 860 HA SER 119 HA SER 119 -4.984 -5.638 3.688 861 HB2 SER 119 2HB SER 119 -2.767 -7.643 4.153 862 HB3 SER 119 1HB SER 119 -3.584 -7.340 2.623 863 HG SER 119 HG SER 119 -1.962 -5.975 2.442 864 H TYR 120 H TYR 120 -6.383 -7.210 2.867 865 HA TYR 120 HA TYR 120 -6.888 -9.614 4.444 866 HB2 TYR 120 2HB TYR 120 -8.277 -7.571 5.308 867 HB3 TYR 120 1HB TYR 120 -9.237 -7.843 3.854 868 HD1 TYR 120 1HD TYR 120 -8.444 -9.023 7.191 869 HD2 TYR 120 2HD TYR 120 -10.274 -10.113 3.461 870 HE1 TYR 120 1HE TYR 120 -9.614 -10.900 8.312 871 HE2 TYR 120 2HE TYR 120 -11.443 -11.990 4.582 872 HH TYR 120 HH TYR 120 -10.626 -13.049 7.722 873 H ARG 121 H ARG 121 -6.793 -11.123 2.905 874 HA ARG 121 HA ARG 121 -7.582 -10.566 0.176 875 HB2 ARG 121 2HB ARG 121 -6.912 -12.919 -0.225 876 HB3 ARG 121 1HB ARG 121 -5.650 -11.995 0.589 877 HG2 ARG 121 2HG ARG 121 -6.409 -12.903 2.768 878 HG3 ARG 121 1HG ARG 121 -7.628 -13.862 1.928 879 HD2 ARG 121 2HD ARG 121 -5.319 -14.479 0.545 880 HD3 ARG 121 1HD ARG 121 -4.745 -14.335 2.203 881 HE ARG 121 HE ARG 121 -6.595 -16.340 1.170 882 HH11 ARG 121 1HH1 ARG 121 -7.038 -18.035 2.613 883 HH12 ARG 121 2HH1 ARG 121 -6.572 -17.894 4.275 884 HH21 ARG 121 1HH2 ARG 121 -5.183 -14.740 3.896 885 HH22 ARG 121 2HH2 ARG 121 -5.521 -16.031 5.000 886 H ILE 122 H ILE 122 -9.346 -11.355 -0.905 887 HA ILE 122 HA ILE 122 -11.562 -12.273 0.771 888 HB ILE 122 HB ILE 122 -11.563 -11.516 -2.161 889 HG12 ILE 122 2HG1 ILE 122 -10.813 -9.593 -0.903 890 HG13 ILE 122 1HG1 ILE 122 -12.506 -9.340 -1.322 891 HG21 ILE 122 1HG2 ILE 122 -14.006 -11.040 -0.711 892 HG22 ILE 122 2HG2 ILE 122 -13.506 -12.716 -0.493 893 HG23 ILE 122 3HG2 ILE 122 -13.739 -12.070 -2.117 894 HD11 ILE 122 1HD1 ILE 122 -12.452 -8.747 0.944 895 HD12 ILE 122 2HD1 ILE 122 -11.302 -10.020 1.352 896 HD13 ILE 122 3HD1 ILE 122 -12.985 -10.425 1.013 897 H GLN 123 H GLN 123 -11.977 -13.187 -2.434 898 HA GLN 123 HA GLN 123 -10.927 -15.891 -2.005 899 HB2 GLN 123 2HB GLN 123 -12.979 -16.966 -2.295 900 HB3 GLN 123 1HB GLN 123 -13.434 -15.568 -1.326 901 HG2 GLN 123 2HG GLN 123 -13.796 -14.389 -3.624 902 HG3 GLN 123 1HG GLN 123 -13.840 -16.028 -4.272 903 HE21 GLN 123 1HE2 GLN 123 -15.772 -13.610 -2.878 904 HE22 GLN 123 2HE2 GLN 123 -17.094 -14.579 -2.439 905 HA PRO 124 HA PRO 124 -9.871 -15.382 -6.291 906 HB2 PRO 124 2HB PRO 124 -9.720 -17.985 -7.121 907 HB3 PRO 124 1HB PRO 124 -8.486 -17.210 -6.109 908 HG2 PRO 124 2HG PRO 124 -10.683 -19.057 -5.333 909 HG3 PRO 124 1HG PRO 124 -9.019 -18.963 -4.732 910 HD2 PRO 124 2HD PRO 124 -11.159 -17.939 -3.365 911 HD3 PRO 124 1HD PRO 124 -9.513 -17.288 -3.225 Start of MODEL 16 1 H1 MET 1 1HT MET 1 -0.476 -23.024 -4.154 2 H2 MET 1 2HT MET 1 0.963 -22.187 -4.495 3 H3 MET 1 3HT MET 1 0.692 -23.723 -5.167 4 HA MET 1 HA MET 1 -0.390 -21.124 -5.947 5 HB2 MET 1 2HB MET 1 1.428 -22.553 -7.126 6 HB3 MET 1 1HB MET 1 0.084 -23.577 -7.634 7 HG2 MET 1 2HG MET 1 -1.036 -21.532 -8.567 8 HG3 MET 1 1HG MET 1 0.428 -20.620 -8.199 9 HE1 MET 1 1HE MET 1 0.782 -20.775 -11.948 10 HE2 MET 1 2HE MET 1 1.498 -19.951 -10.566 11 HE3 MET 1 3HE MET 1 -0.253 -20.113 -10.677 12 H GLN 2 H GLN 2 -2.507 -20.970 -5.352 13 HA GLN 2 HA GLN 2 -4.331 -22.999 -6.462 14 HB2 GLN 2 2HB GLN 2 -4.630 -21.797 -3.702 15 HB3 GLN 2 1HB GLN 2 -5.680 -23.000 -4.450 16 HG2 GLN 2 2HG GLN 2 -3.773 -24.574 -4.568 17 HG3 GLN 2 1HG GLN 2 -2.747 -23.376 -3.782 18 HE21 GLN 2 1HE2 GLN 2 -5.972 -24.910 -3.191 19 HE22 GLN 2 2HE2 GLN 2 -5.723 -25.110 -1.524 20 H ASP 3 H ASP 3 -3.529 -19.736 -5.789 21 HA ASP 3 HA ASP 3 -6.202 -18.773 -6.536 22 HB2 ASP 3 2HB ASP 3 -3.755 -17.271 -5.578 23 HB3 ASP 3 1HB ASP 3 -5.333 -16.553 -5.905 24 H GLY 4 H GLY 4 -6.637 -17.851 -8.462 25 HA2 GLY 4 2HA GLY 4 -4.548 -17.940 -10.506 26 HA3 GLY 4 1HA GLY 4 -6.273 -17.725 -10.786 27 HA PRO 5 HA PRO 5 -3.998 -13.598 -10.908 28 HB2 PRO 5 2HB PRO 5 -4.249 -13.098 -13.580 29 HB3 PRO 5 1HB PRO 5 -2.871 -13.969 -12.881 30 HG2 PRO 5 2HG PRO 5 -5.253 -15.027 -14.308 31 HG3 PRO 5 1HG PRO 5 -3.569 -15.575 -14.354 32 HD2 PRO 5 2HD PRO 5 -5.552 -16.819 -12.887 33 HD3 PRO 5 1HD PRO 5 -3.820 -16.916 -12.499 34 H GLY 6 H GLY 6 -5.004 -11.542 -11.150 35 HA2 GLY 6 2HA GLY 6 -6.764 -10.070 -11.713 36 HA3 GLY 6 1HA GLY 6 -7.771 -11.460 -12.111 37 H THR 7 H THR 7 -6.067 -11.828 -9.197 38 HA THR 7 HA THR 7 -8.407 -12.000 -7.622 39 HB THR 7 HB THR 7 -5.752 -11.431 -6.367 40 HG1 THR 7 1HG THR 7 -6.471 -13.697 -7.897 41 HG21 THR 7 1HG2 THR 7 -7.811 -11.968 -5.047 42 HG22 THR 7 2HG2 THR 7 -6.508 -13.132 -4.809 43 HG23 THR 7 3HG2 THR 7 -7.869 -13.536 -5.855 44 H LEU 8 H LEU 8 -8.975 -10.672 -5.765 45 HA LEU 8 HA LEU 8 -8.124 -7.856 -5.976 46 HB2 LEU 8 2HB LEU 8 -10.634 -7.367 -5.415 47 HB3 LEU 8 1HB LEU 8 -10.164 -7.686 -7.086 48 HG LEU 8 HG LEU 8 -10.850 -10.058 -5.428 49 HD11 LEU 8 1HD1 LEU 8 -13.274 -9.709 -5.823 50 HD12 LEU 8 2HD1 LEU 8 -12.927 -8.098 -6.453 51 HD13 LEU 8 3HD1 LEU 8 -12.603 -8.471 -4.759 52 HD21 LEU 8 1HD2 LEU 8 -11.871 -9.345 -8.170 53 HD22 LEU 8 2HD2 LEU 8 -11.521 -10.937 -7.499 54 HD23 LEU 8 3HD2 LEU 8 -10.198 -9.866 -7.959 55 H ASP 9 H ASP 9 -7.784 -6.878 -4.056 56 HA ASP 9 HA ASP 9 -8.878 -8.102 -1.616 57 HB2 ASP 9 2HB ASP 9 -6.870 -9.029 -1.185 58 HB3 ASP 9 1HB ASP 9 -6.069 -8.079 -2.435 59 H VAL 10 H VAL 10 -8.781 -6.689 0.246 60 HA VAL 10 HA VAL 10 -8.630 -3.824 -0.490 61 HB VAL 10 HB VAL 10 -10.347 -3.533 1.368 62 HG11 VAL 10 1HG1 VAL 10 -12.096 -4.853 -0.290 63 HG12 VAL 10 2HG1 VAL 10 -10.699 -4.630 -1.344 64 HG13 VAL 10 3HG1 VAL 10 -11.465 -3.233 -0.588 65 HG21 VAL 10 1HG2 VAL 10 -11.262 -5.344 2.408 66 HG22 VAL 10 2HG2 VAL 10 -9.782 -6.158 1.901 67 HG23 VAL 10 3HG2 VAL 10 -11.250 -6.315 0.937 68 H PHE 11 H PHE 11 -7.601 -2.442 0.920 69 HA PHE 11 HA PHE 11 -6.683 -3.428 3.504 70 HB2 PHE 11 2HB PHE 11 -4.412 -3.427 3.084 71 HB3 PHE 11 1HB PHE 11 -5.019 -4.023 1.539 72 HD1 PHE 11 1HD PHE 11 -5.146 -2.535 -0.427 73 HD2 PHE 11 2HD PHE 11 -3.490 -1.196 3.303 74 HE1 PHE 11 1HE PHE 11 -4.135 -0.584 -1.577 75 HE2 PHE 11 2HE PHE 11 -2.479 0.755 2.154 76 HZ PHE 11 HZ PHE 11 -2.802 1.061 -0.287 77 H VAL 12 H VAL 12 -6.252 -1.814 4.947 78 HA VAL 12 HA VAL 12 -6.732 0.946 4.006 79 HB VAL 12 HB VAL 12 -6.972 -0.005 6.855 80 HG11 VAL 12 1HG1 VAL 12 -6.871 2.418 6.468 81 HG12 VAL 12 2HG1 VAL 12 -8.492 1.952 6.983 82 HG13 VAL 12 3HG1 VAL 12 -8.172 2.296 5.283 83 HG21 VAL 12 1HG2 VAL 12 -8.987 -0.137 4.602 84 HG22 VAL 12 2HG2 VAL 12 -9.475 -0.095 6.298 85 HG23 VAL 12 3HG2 VAL 12 -8.494 -1.431 5.693 86 H ALA 13 H ALA 13 -5.446 2.642 4.936 87 HA ALA 13 HA ALA 13 -3.133 1.942 6.517 88 HB1 ALA 13 1HB ALA 13 -2.053 1.427 4.518 89 HB2 ALA 13 2HB ALA 13 -1.669 3.139 4.709 90 HB3 ALA 13 3HB ALA 13 -2.951 2.640 3.604 91 H ALA 14 H ALA 14 -3.246 3.444 7.990 92 HA ALA 14 HA ALA 14 -3.806 6.239 7.202 93 HB1 ALA 14 1HB ALA 14 -5.073 6.544 9.084 94 HB2 ALA 14 2HB ALA 14 -4.133 5.392 10.032 95 HB3 ALA 14 3HB ALA 14 -5.336 4.811 8.879 96 H GLY 15 H GLY 15 -2.212 7.666 7.519 97 HA2 GLY 15 2HA GLY 15 -0.144 7.073 9.539 98 HA3 GLY 15 1HA GLY 15 0.334 7.457 7.890 99 H TRP 16 H TRP 16 1.486 9.148 9.317 100 HA TRP 16 HA TRP 16 -0.065 11.620 9.121 101 HB2 TRP 16 2HB TRP 16 1.034 12.216 11.440 102 HB3 TRP 16 1HB TRP 16 -0.490 11.331 11.381 103 HD1 TRP 16 HD TRP 16 3.264 10.361 11.240 104 HE1 TRP 16 1HE TRP 16 3.603 8.284 12.729 105 HE3 TRP 16 3HE TRP 16 -1.528 9.639 12.855 106 HZ2 TRP 16 2HZ TRP 16 2.047 6.547 14.388 107 HZ3 TRP 16 3HZ TRP 16 -2.070 7.767 14.385 108 HH2 TRP 16 HH TRP 16 -0.291 6.222 15.154 109 H ASN 17 H ASN 17 1.303 13.542 9.245 110 HA ASN 17 HA ASN 17 4.076 12.969 8.380 111 HB2 ASN 17 2HB ASN 17 2.526 13.986 6.672 112 HB3 ASN 17 1HB ASN 17 2.426 15.410 7.707 113 HD21 ASN 17 1HD2 ASN 17 5.269 13.335 6.939 114 HD22 ASN 17 2HD2 ASN 17 6.203 14.602 6.304 115 H THR 18 H THR 18 5.741 14.322 9.120 116 HA THR 18 HA THR 18 5.717 15.055 11.787 117 HB THR 18 HB THR 18 7.419 16.570 9.835 118 HG1 THR 18 1HG THR 18 8.441 14.810 9.262 119 HG21 THR 18 1HG2 THR 18 7.648 16.945 12.272 120 HG22 THR 18 2HG2 THR 18 9.101 16.219 11.585 121 HG23 THR 18 3HG2 THR 18 7.964 15.223 12.495 122 H ASP 19 H ASP 19 4.210 16.626 9.183 123 HA ASP 19 HA ASP 19 4.328 19.319 10.138 124 HB2 ASP 19 2HB ASP 19 2.369 17.973 8.262 125 HB3 ASP 19 1HB ASP 19 2.491 19.712 8.524 126 H ASN 20 H ASN 20 3.239 16.880 11.795 127 HA ASN 20 HA ASN 20 1.709 16.584 13.481 128 HB2 ASN 20 2HB ASN 20 2.582 19.079 13.801 129 HB3 ASN 20 1HB ASN 20 0.910 19.456 13.385 130 HD21 ASN 20 1HD2 ASN 20 -0.669 17.718 14.639 131 HD22 ASN 20 2HD2 ASN 20 -0.345 17.611 16.302 132 H THR 21 H THR 21 0.787 15.973 10.957 133 HA THR 21 HA THR 21 -2.066 16.670 11.212 134 HB THR 21 HB THR 21 -0.954 18.035 9.397 135 HG1 THR 21 1HG THR 21 -2.982 17.906 8.873 136 HG21 THR 21 1HG2 THR 21 -0.932 15.654 7.635 137 HG22 THR 21 2HG2 THR 21 0.381 15.750 8.809 138 HG23 THR 21 3HG2 THR 21 0.138 17.056 7.649 139 H ILE 22 H ILE 22 -3.507 15.082 10.415 140 HA ILE 22 HA ILE 22 -2.321 12.392 10.321 141 HB ILE 22 HB ILE 22 -5.214 13.206 10.683 142 HG12 ILE 22 2HG1 ILE 22 -3.207 12.272 12.758 143 HG13 ILE 22 1HG1 ILE 22 -3.649 13.962 12.513 144 HG21 ILE 22 1HG2 ILE 22 -3.745 10.576 11.037 145 HG22 ILE 22 2HG2 ILE 22 -4.955 10.941 9.809 146 HG23 ILE 22 3HG2 ILE 22 -5.420 10.860 11.508 147 HD11 ILE 22 1HD1 ILE 22 -6.066 13.268 12.868 148 HD12 ILE 22 2HD1 ILE 22 -5.036 13.141 14.294 149 HD13 ILE 22 3HD1 ILE 22 -5.456 11.695 13.379 150 H GLU 23 H GLU 23 -2.884 10.904 8.702 151 HA GLU 23 HA GLU 23 -4.303 11.977 6.354 152 HB2 GLU 23 2HB GLU 23 -1.519 10.841 6.444 153 HB3 GLU 23 1HB GLU 23 -2.494 10.729 4.978 154 HG2 GLU 23 2HG GLU 23 -2.773 13.151 4.929 155 HG3 GLU 23 1HG GLU 23 -1.911 13.309 6.459 156 H ILE 24 H ILE 24 -5.291 10.412 5.042 157 HA ILE 24 HA ILE 24 -5.335 7.662 6.131 158 HB ILE 24 HB ILE 24 -7.368 8.785 6.864 159 HG12 ILE 24 2HG1 ILE 24 -8.514 7.278 4.606 160 HG13 ILE 24 1HG1 ILE 24 -7.245 6.412 5.473 161 HG21 ILE 24 1HG2 ILE 24 -7.114 10.150 4.415 162 HG22 ILE 24 2HG2 ILE 24 -8.405 10.337 5.603 163 HG23 ILE 24 3HG2 ILE 24 -8.591 9.198 4.269 164 HD11 ILE 24 1HD1 ILE 24 -9.677 7.703 6.750 165 HD12 ILE 24 2HD1 ILE 24 -8.413 6.817 7.603 166 HD13 ILE 24 3HD1 ILE 24 -9.467 5.974 6.468 167 H THR 25 H THR 25 -5.149 6.079 4.661 168 HA THR 25 HA THR 25 -5.571 6.725 1.814 169 HB THR 25 HB THR 25 -3.120 5.482 3.061 170 HG1 THR 25 1HG THR 25 -3.374 7.806 2.647 171 HG21 THR 25 1HG2 THR 25 -4.285 5.174 0.319 172 HG22 THR 25 2HG2 THR 25 -3.418 3.997 1.304 173 HG23 THR 25 3HG2 THR 25 -2.533 5.287 0.488 174 H GLY 26 H GLY 26 -6.893 5.299 0.901 175 HA2 GLY 26 2HA GLY 26 -6.855 2.500 1.824 176 HA3 GLY 26 1HA GLY 26 -8.388 3.367 1.774 177 H GLY 27 H GLY 27 -7.347 0.993 0.248 178 HA2 GLY 27 2HA GLY 27 -8.503 1.650 -2.277 179 HA3 GLY 27 1HA GLY 27 -6.751 1.529 -2.403 180 H ALA 28 H ALA 28 -7.077 -0.291 -3.814 181 HA ALA 28 HA ALA 28 -7.373 -2.792 -2.307 182 HB1 ALA 28 1HB ALA 28 -9.002 -1.978 -4.702 183 HB2 ALA 28 2HB ALA 28 -9.548 -2.691 -3.184 184 HB3 ALA 28 3HB ALA 28 -8.679 -3.677 -4.359 185 H THR 29 H THR 29 -6.091 -4.444 -3.045 186 HA THR 29 HA THR 29 -4.171 -3.717 -5.158 187 HB THR 29 HB THR 29 -2.635 -5.187 -4.140 188 HG1 THR 29 1HG THR 29 -3.498 -6.552 -2.355 189 HG21 THR 29 1HG2 THR 29 -2.449 -4.347 -1.939 190 HG22 THR 29 2HG2 THR 29 -4.199 -4.240 -1.743 191 HG23 THR 29 3HG2 THR 29 -3.358 -3.103 -2.797 192 H TYR 30 H TYR 30 -3.517 -5.344 -6.693 193 HA TYR 30 HA TYR 30 -5.524 -7.467 -7.144 194 HB2 TYR 30 2HB TYR 30 -4.509 -5.387 -9.061 195 HB3 TYR 30 1HB TYR 30 -5.076 -6.951 -9.649 196 HD1 TYR 30 1HD TYR 30 -7.390 -7.420 -9.828 197 HD2 TYR 30 2HD TYR 30 -6.068 -4.006 -7.579 198 HE1 TYR 30 1HE TYR 30 -9.737 -6.651 -9.615 199 HE2 TYR 30 2HE TYR 30 -8.416 -3.237 -7.368 200 HH TYR 30 HH TYR 30 -10.696 -4.256 -7.437 201 H GLN 31 H GLN 31 -4.668 -9.419 -7.472 202 HA GLN 31 HA GLN 31 -1.755 -9.633 -7.765 203 HB2 GLN 31 2HB GLN 31 -3.126 -10.893 -5.983 204 HB3 GLN 31 1HB GLN 31 -3.659 -11.923 -7.313 205 HG2 GLN 31 2HG GLN 31 -0.970 -11.847 -7.769 206 HG3 GLN 31 1HG GLN 31 -1.012 -11.746 -6.010 207 HE21 GLN 31 1HE2 GLN 31 -1.458 -13.873 -8.729 208 HE22 GLN 31 2HE2 GLN 31 -1.914 -15.245 -7.837 209 H LEU 32 H LEU 32 -1.135 -9.557 -9.842 210 HA LEU 32 HA LEU 32 -2.716 -11.016 -11.856 211 HB2 LEU 32 2HB LEU 32 -1.052 -8.593 -11.880 212 HB3 LEU 32 1HB LEU 32 -0.752 -9.676 -13.238 213 HG LEU 32 HG LEU 32 -2.559 -7.976 -13.666 214 HD11 LEU 32 1HD1 LEU 32 -4.231 -10.288 -13.872 215 HD12 LEU 32 2HD1 LEU 32 -2.569 -10.784 -14.180 216 HD13 LEU 32 3HD1 LEU 32 -3.297 -9.499 -15.142 217 HD21 LEU 32 1HD2 LEU 32 -4.510 -9.518 -12.074 218 HD22 LEU 32 2HD2 LEU 32 -4.381 -7.777 -12.315 219 HD23 LEU 32 3HD2 LEU 32 -3.366 -8.579 -11.118 220 H SER 33 H SER 33 0.606 -10.598 -10.665 221 HA SER 33 HA SER 33 1.195 -13.359 -11.401 222 HB2 SER 33 2HB SER 33 2.024 -11.160 -13.028 223 HB3 SER 33 1HB SER 33 3.449 -11.844 -12.252 224 HG SER 33 HG SER 33 3.094 -13.038 -14.072 225 HA PRO 34 HA PRO 34 3.661 -13.201 -7.762 226 HB2 PRO 34 2HB PRO 34 5.809 -14.777 -8.402 227 HB3 PRO 34 1HB PRO 34 4.191 -15.418 -8.065 228 HG2 PRO 34 2HG PRO 34 5.540 -14.961 -10.676 229 HG3 PRO 34 1HG PRO 34 4.476 -16.284 -10.167 230 HD2 PRO 34 2HD PRO 34 3.625 -14.199 -11.732 231 HD3 PRO 34 1HD PRO 34 2.552 -15.099 -10.639 232 H TYR 35 H TYR 35 4.894 -11.978 -10.700 233 HA TYR 35 HA TYR 35 7.478 -11.140 -9.841 234 HB2 TYR 35 2HB TYR 35 5.657 -10.316 -12.095 235 HB3 TYR 35 1HB TYR 35 7.197 -9.502 -11.808 236 HD1 TYR 35 1HD TYR 35 5.585 -12.691 -12.738 237 HD2 TYR 35 2HD TYR 35 9.316 -10.640 -12.164 238 HE1 TYR 35 1HE TYR 35 6.776 -14.536 -13.888 239 HE2 TYR 35 2HE TYR 35 10.506 -12.485 -13.315 240 HH TYR 35 HH TYR 35 10.284 -14.678 -13.989 241 H ILE 36 H ILE 36 5.231 -8.717 -10.975 242 HA ILE 36 HA ILE 36 5.696 -7.183 -8.488 243 HB ILE 36 HB ILE 36 5.070 -5.207 -9.992 244 HG12 ILE 36 2HG1 ILE 36 5.852 -7.072 -12.228 245 HG13 ILE 36 1HG1 ILE 36 4.161 -6.898 -11.759 246 HG21 ILE 36 1HG2 ILE 36 7.442 -5.720 -11.281 247 HG22 ILE 36 2HG2 ILE 36 7.538 -6.814 -9.903 248 HG23 ILE 36 3HG2 ILE 36 7.312 -5.085 -9.640 249 HD11 ILE 36 1HD1 ILE 36 4.165 -4.560 -12.250 250 HD12 ILE 36 2HD1 ILE 36 4.960 -5.341 -13.617 251 HD13 ILE 36 3HD1 ILE 36 5.923 -4.522 -12.387 252 H MET 37 H MET 37 3.977 -6.111 -7.507 253 HA MET 37 HA MET 37 1.316 -7.156 -8.226 254 HB2 MET 37 2HB MET 37 2.422 -6.017 -5.654 255 HB3 MET 37 1HB MET 37 0.712 -6.377 -5.898 256 HG2 MET 37 2HG MET 37 1.110 -8.693 -6.121 257 HG3 MET 37 1HG MET 37 2.829 -8.457 -6.432 258 HE1 MET 37 1HE MET 37 1.990 -10.388 -3.006 259 HE2 MET 37 2HE MET 37 1.749 -10.515 -4.746 260 HE3 MET 37 3HE MET 37 0.496 -9.791 -3.740 261 H VAL 38 H VAL 38 -0.485 -5.762 -8.321 262 HA VAL 38 HA VAL 38 0.214 -2.953 -8.912 263 HB VAL 38 HB VAL 38 -2.382 -4.200 -9.727 264 HG11 VAL 38 1HG1 VAL 38 -0.533 -2.272 -11.157 265 HG12 VAL 38 2HG1 VAL 38 -1.789 -1.750 -10.032 266 HG13 VAL 38 3HG1 VAL 38 -2.230 -2.598 -11.515 267 HG21 VAL 38 1HG2 VAL 38 -0.903 -5.881 -10.519 268 HG22 VAL 38 2HG2 VAL 38 0.345 -4.706 -10.930 269 HG23 VAL 38 3HG2 VAL 38 -1.125 -4.808 -11.900 270 H LYS 39 H LYS 39 -0.976 -1.276 -8.023 271 HA LYS 39 HA LYS 39 -3.194 -1.872 -6.231 272 HB2 LYS 39 2HB LYS 39 -2.059 -0.558 -4.372 273 HB3 LYS 39 1HB LYS 39 -1.429 -2.179 -4.663 274 HG2 LYS 39 2HG LYS 39 0.591 -1.393 -5.322 275 HG3 LYS 39 1HG LYS 39 -0.136 -0.128 -6.315 276 HD2 LYS 39 2HD LYS 39 1.193 0.806 -4.428 277 HD3 LYS 39 1HD LYS 39 -0.510 1.257 -4.334 278 HE2 LYS 39 2HE LYS 39 -0.862 0.034 -2.444 279 HE3 LYS 39 1HE LYS 39 0.184 -1.279 -2.982 280 HZ1 LYS 39 1HZ LYS 39 1.999 -0.337 -2.061 281 HZ2 LYS 39 2HZ LYS 39 0.848 0.383 -1.039 282 HZ3 LYS 39 3HZ LYS 39 1.481 1.251 -2.355 283 H ALA 40 H ALA 40 -4.563 -0.157 -5.959 284 HA ALA 40 HA ALA 40 -3.736 2.517 -6.788 285 HB1 ALA 40 1HB ALA 40 -6.153 2.268 -8.111 286 HB2 ALA 40 2HB ALA 40 -5.345 0.739 -8.457 287 HB3 ALA 40 3HB ALA 40 -4.560 2.264 -8.869 288 H GLY 41 H GLY 41 -4.642 3.989 -5.489 289 HA2 GLY 41 2HA GLY 41 -7.313 3.591 -4.402 290 HA3 GLY 41 1HA GLY 41 -6.010 3.602 -3.218 291 H TYR 42 H TYR 42 -7.001 5.501 -2.305 292 HA TYR 42 HA TYR 42 -6.174 7.950 -3.717 293 HB2 TYR 42 2HB TYR 42 -8.493 8.629 -2.282 294 HB3 TYR 42 1HB TYR 42 -8.310 8.555 -4.034 295 HD1 TYR 42 1HD TYR 42 -9.784 7.162 -5.191 296 HD2 TYR 42 2HD TYR 42 -8.724 6.194 -1.142 297 HE1 TYR 42 1HE TYR 42 -11.305 5.206 -5.260 298 HE2 TYR 42 2HE TYR 42 -10.246 4.238 -1.211 299 HH TYR 42 HH TYR 42 -12.196 3.470 -2.445 300 H GLY 43 H GLY 43 -5.967 9.811 -2.268 301 HA2 GLY 43 2HA GLY 43 -5.565 9.075 0.566 302 HA3 GLY 43 1HA GLY 43 -4.299 9.911 -0.326 303 H TRP 44 H TRP 44 -6.435 10.491 1.945 304 HA TRP 44 HA TRP 44 -7.233 13.149 0.914 305 HB2 TRP 44 2HB TRP 44 -8.766 11.108 2.162 306 HB3 TRP 44 1HB TRP 44 -8.647 12.451 3.299 307 HD1 TRP 44 HD TRP 44 -8.881 14.967 1.767 308 HE1 TRP 44 1HE TRP 44 -10.885 15.550 0.252 309 HE3 TRP 44 3HE TRP 44 -10.710 10.281 0.879 310 HZ2 TRP 44 2HZ TRP 44 -12.986 14.207 -1.149 311 HZ3 TRP 44 3HZ TRP 44 -12.711 9.962 -0.549 312 HH2 TRP 44 HH TRP 44 -13.850 11.917 -1.563 313 H ASN 45 H ASN 45 -6.594 14.933 1.996 314 HA ASN 45 HA ASN 45 -5.381 14.621 4.660 315 HB2 ASN 45 2HB ASN 45 -3.976 16.518 2.907 316 HB3 ASN 45 1HB ASN 45 -3.327 15.342 4.051 317 HD21 ASN 45 1HD2 ASN 45 -2.074 13.822 2.975 318 HD22 ASN 45 2HD2 ASN 45 -2.416 13.187 1.438 319 H ASN 46 H ASN 46 -7.880 15.807 3.369 320 HA ASN 46 HA ASN 46 -9.271 17.545 4.000 321 HB2 ASN 46 2HB ASN 46 -7.528 17.552 6.045 322 HB3 ASN 46 1HB ASN 46 -7.114 19.103 5.317 323 HD21 ASN 46 1HD2 ASN 46 -8.341 20.801 6.127 324 HD22 ASN 46 2HD2 ASN 46 -9.927 20.662 6.719 325 H SER 47 H SER 47 -6.566 17.663 2.112 326 HA SER 47 HA SER 47 -7.485 20.122 0.809 327 HB2 SER 47 2HB SER 47 -5.584 20.648 2.433 328 HB3 SER 47 1HB SER 47 -4.551 19.696 1.370 329 HG SER 47 HG SER 47 -4.481 21.360 0.105 330 H SER 48 H SER 48 -5.379 20.308 -1.029 331 HA SER 48 HA SER 48 -4.912 19.522 -3.145 332 HB2 SER 48 2HB SER 48 -4.348 17.158 -1.366 333 HB3 SER 48 1HB SER 48 -4.056 17.097 -3.102 334 HG SER 48 HG SER 48 -2.553 18.188 -1.196 335 H LEU 49 H LEU 49 -7.719 19.330 -2.211 336 HA LEU 49 HA LEU 49 -9.723 18.361 -2.812 337 HB2 LEU 49 2HB LEU 49 -8.029 18.350 -5.278 338 HB3 LEU 49 1HB LEU 49 -9.605 17.558 -5.321 339 HG LEU 49 HG LEU 49 -10.684 19.623 -4.542 340 HD11 LEU 49 1HD1 LEU 49 -9.042 21.698 -4.693 341 HD12 LEU 49 2HD1 LEU 49 -7.824 20.486 -4.297 342 HD13 LEU 49 3HD1 LEU 49 -9.175 20.770 -3.199 343 HD21 LEU 49 1HD2 LEU 49 -8.961 20.674 -6.721 344 HD22 LEU 49 2HD2 LEU 49 -10.718 20.562 -6.633 345 HD23 LEU 49 3HD2 LEU 49 -9.762 19.138 -7.049 346 H ASN 50 H ASN 50 -7.939 16.224 -4.942 347 HA ASN 50 HA ASN 50 -8.232 13.977 -3.084 348 HB2 ASN 50 2HB ASN 50 -9.205 13.525 -5.865 349 HB3 ASN 50 1HB ASN 50 -9.690 12.743 -4.361 350 HD21 ASN 50 1HD2 ASN 50 -10.822 14.403 -2.751 351 HD22 ASN 50 2HD2 ASN 50 -11.946 15.452 -3.471 352 H ARG 51 H ARG 51 -6.370 12.908 -3.082 353 HA ARG 51 HA ARG 51 -4.621 13.093 -5.448 354 HB2 ARG 51 2HB ARG 51 -4.159 13.221 -2.626 355 HB3 ARG 51 1HB ARG 51 -3.302 11.822 -3.276 356 HG2 ARG 51 2HG ARG 51 -2.317 13.277 -5.039 357 HG3 ARG 51 1HG ARG 51 -3.118 14.669 -4.308 358 HD2 ARG 51 2HD ARG 51 -0.751 14.447 -3.571 359 HD3 ARG 51 1HD ARG 51 -1.888 14.334 -2.229 360 HE ARG 51 HE ARG 51 -1.437 11.729 -3.112 361 HH11 ARG 51 1HH1 ARG 51 0.100 10.416 -2.076 362 HH12 ARG 51 2HH1 ARG 51 1.381 11.144 -1.164 363 HH21 ARG 51 1HH2 ARG 51 0.347 14.391 -1.804 364 HH22 ARG 51 2HH2 ARG 51 1.520 13.395 -1.012 365 H PHE 52 H PHE 52 -4.585 11.419 -6.787 366 HA PHE 52 HA PHE 52 -5.407 8.768 -5.791 367 HB2 PHE 52 2HB PHE 52 -6.521 9.911 -7.821 368 HB3 PHE 52 1HB PHE 52 -5.035 9.512 -8.684 369 HD1 PHE 52 1HD PHE 52 -4.364 7.160 -9.026 370 HD2 PHE 52 2HD PHE 52 -8.075 8.188 -7.121 371 HE1 PHE 52 1HE PHE 52 -5.172 4.838 -9.347 372 HE2 PHE 52 2HE PHE 52 -8.884 5.866 -7.443 373 HZ PHE 52 HZ PHE 52 -7.432 4.191 -8.555 374 H GLU 53 H GLU 53 -3.826 7.392 -5.310 375 HA GLU 53 HA GLU 53 -1.175 7.766 -6.525 376 HB2 GLU 53 2HB GLU 53 -1.234 7.631 -4.087 377 HB3 GLU 53 1HB GLU 53 -2.065 6.078 -4.174 378 HG2 GLU 53 2HG GLU 53 0.397 6.169 -5.770 379 HG3 GLU 53 1HG GLU 53 0.674 6.407 -4.045 380 H PHE 54 H PHE 54 -0.296 6.338 -7.911 381 HA PHE 54 HA PHE 54 -1.575 3.708 -8.251 382 HB2 PHE 54 2HB PHE 54 -2.503 4.370 -10.185 383 HB3 PHE 54 1HB PHE 54 -1.644 5.910 -10.145 384 HD1 PHE 54 1HD PHE 54 -1.155 2.278 -10.903 385 HD2 PHE 54 2HD PHE 54 0.155 6.308 -11.607 386 HE1 PHE 54 1HE PHE 54 0.384 1.468 -12.671 387 HE2 PHE 54 2HE PHE 54 1.694 5.498 -13.376 388 HZ PHE 54 HZ PHE 54 1.808 3.079 -13.907 389 H GLY 55 H GLY 55 -0.126 2.109 -8.386 390 HA2 GLY 55 2HA GLY 55 2.339 2.229 -9.749 391 HA3 GLY 55 1HA GLY 55 2.630 2.523 -8.038 392 H GLY 56 H GLY 56 3.781 0.575 -7.791 393 HA2 GLY 56 2HA GLY 56 2.052 -1.774 -7.481 394 HA3 GLY 56 1HA GLY 56 3.472 -1.937 -8.512 395 H GLY 57 H GLY 57 3.037 -3.453 -6.164 396 HA2 GLY 57 2HA GLY 57 4.974 -2.325 -4.242 397 HA3 GLY 57 1HA GLY 57 3.809 -3.594 -3.884 398 H LEU 58 H LEU 58 6.305 -4.114 -3.128 399 HA LEU 58 HA LEU 58 7.222 -6.116 -5.095 400 HB2 LEU 58 2HB LEU 58 8.775 -4.222 -5.177 401 HB3 LEU 58 1HB LEU 58 8.990 -4.312 -3.428 402 HG LEU 58 HG LEU 58 9.416 -6.891 -4.741 403 HD11 LEU 58 1HD1 LEU 58 10.239 -5.488 -6.574 404 HD12 LEU 58 2HD1 LEU 58 11.598 -6.249 -5.747 405 HD13 LEU 58 3HD1 LEU 58 11.219 -4.554 -5.443 406 HD21 LEU 58 1HD2 LEU 58 11.378 -6.892 -3.305 407 HD22 LEU 58 2HD2 LEU 58 10.019 -6.245 -2.385 408 HD23 LEU 58 3HD2 LEU 58 11.238 -5.154 -3.047 409 H GLN 59 H GLN 59 7.469 -8.099 -4.276 410 HA GLN 59 HA GLN 59 8.013 -8.477 -1.430 411 HB2 GLN 59 2HB GLN 59 6.107 -9.930 -1.069 412 HB3 GLN 59 1HB GLN 59 5.526 -8.367 -1.642 413 HG2 GLN 59 2HG GLN 59 4.326 -9.793 -3.024 414 HG3 GLN 59 1HG GLN 59 5.754 -9.505 -4.016 415 HE21 GLN 59 1HE2 GLN 59 5.335 -11.649 -1.149 416 HE22 GLN 59 2HE2 GLN 59 5.802 -13.066 -1.962 417 H TYR 60 H TYR 60 8.421 -10.797 -0.929 418 HA TYR 60 HA TYR 60 9.394 -12.287 -3.293 419 HB2 TYR 60 2HB TYR 60 10.782 -11.684 -0.695 420 HB3 TYR 60 1HB TYR 60 11.207 -13.114 -1.633 421 HD1 TYR 60 1HD TYR 60 11.590 -12.695 -4.218 422 HD2 TYR 60 2HD TYR 60 11.853 -9.662 -1.187 423 HE1 TYR 60 1HE TYR 60 12.974 -11.302 -5.732 424 HE2 TYR 60 2HE TYR 60 13.238 -8.269 -2.700 425 HH TYR 60 HH TYR 60 13.799 -9.207 -6.057 426 H LYS 61 H LYS 61 9.831 -14.633 -2.724 427 HA LYS 61 HA LYS 61 7.717 -15.634 -0.905 428 HB2 LYS 61 2HB LYS 61 8.466 -16.361 -3.676 429 HB3 LYS 61 1HB LYS 61 8.111 -17.708 -2.594 430 HG2 LYS 61 2HG LYS 61 5.917 -16.964 -2.181 431 HG3 LYS 61 1HG LYS 61 6.272 -15.327 -2.732 432 HD2 LYS 61 2HD LYS 61 6.139 -15.901 -4.975 433 HD3 LYS 61 1HD LYS 61 6.579 -17.583 -4.677 434 HE2 LYS 61 2HE LYS 61 4.081 -16.959 -5.257 435 HE3 LYS 61 1HE LYS 61 4.423 -18.175 -4.027 436 HZ1 LYS 61 1HZ LYS 61 2.799 -16.259 -3.498 437 HZ2 LYS 61 2HZ LYS 61 4.210 -15.341 -3.267 438 HZ3 LYS 61 3HZ LYS 61 3.933 -16.729 -2.327 439 H VAL 62 H VAL 62 8.359 -16.921 0.709 440 HA VAL 62 HA VAL 62 10.511 -18.771 0.524 441 HB VAL 62 HB VAL 62 11.775 -16.597 0.663 442 HG11 VAL 62 1HG1 VAL 62 9.961 -15.707 2.340 443 HG12 VAL 62 2HG1 VAL 62 11.644 -15.232 2.556 444 HG13 VAL 62 3HG1 VAL 62 10.955 -16.512 3.553 445 HG21 VAL 62 1HG2 VAL 62 12.099 -18.419 3.067 446 HG22 VAL 62 2HG2 VAL 62 13.352 -17.435 2.312 447 HG23 VAL 62 3HG2 VAL 62 12.671 -18.812 1.446 448 H THR 63 H THR 63 8.299 -16.881 2.485 449 HA THR 63 HA THR 63 8.042 -19.175 4.323 450 HB THR 63 HB THR 63 7.363 -16.958 5.838 451 HG1 THR 63 1HG THR 63 8.389 -15.336 5.048 452 HG21 THR 63 1HG2 THR 63 10.074 -18.302 5.637 453 HG22 THR 63 2HG2 THR 63 8.702 -18.928 6.550 454 HG23 THR 63 3HG2 THR 63 9.461 -17.411 7.030 455 HA PRO 64 HA PRO 64 3.667 -19.197 3.727 456 HB2 PRO 64 2HB PRO 64 3.328 -18.150 6.514 457 HB3 PRO 64 1HB PRO 64 2.522 -19.516 5.718 458 HG2 PRO 64 2HG PRO 64 4.503 -19.881 7.466 459 HG3 PRO 64 1HG PRO 64 4.287 -20.933 6.058 460 HD2 PRO 64 2HD PRO 64 6.375 -18.898 6.565 461 HD3 PRO 64 1HD PRO 64 6.417 -20.314 5.496 462 H ASP 65 H ASP 65 5.356 -16.392 4.678 463 HA ASP 65 HA ASP 65 4.385 -14.522 3.065 464 HB2 ASP 65 2HB ASP 65 2.107 -14.640 3.538 465 HB3 ASP 65 1HB ASP 65 2.372 -14.931 5.256 466 H LEU 66 H LEU 66 6.605 -14.135 3.673 467 HA LEU 66 HA LEU 66 6.811 -12.026 5.655 468 HB2 LEU 66 2HB LEU 66 7.442 -14.643 6.443 469 HB3 LEU 66 1HB LEU 66 8.995 -13.871 6.120 470 HG LEU 66 HG LEU 66 6.807 -12.751 7.898 471 HD11 LEU 66 1HD1 LEU 66 8.528 -13.143 9.690 472 HD12 LEU 66 2HD1 LEU 66 9.493 -14.022 8.502 473 HD13 LEU 66 3HD1 LEU 66 7.904 -14.627 8.971 474 HD21 LEU 66 1HD2 LEU 66 7.847 -10.786 7.467 475 HD22 LEU 66 2HD2 LEU 66 9.181 -11.591 6.639 476 HD23 LEU 66 3HD2 LEU 66 9.203 -11.427 8.394 477 H GLU 67 H GLU 67 7.639 -10.533 4.294 478 HA GLU 67 HA GLU 67 10.310 -10.881 3.299 479 HB2 GLU 67 2HB GLU 67 9.345 -10.253 0.881 480 HB3 GLU 67 1HB GLU 67 9.569 -11.927 1.391 481 HG2 GLU 67 2HG GLU 67 7.291 -11.340 0.381 482 HG3 GLU 67 1HG GLU 67 7.264 -12.176 1.930 483 HA PRO 68 HA PRO 68 10.313 -6.484 3.707 484 HB2 PRO 68 2HB PRO 68 11.774 -5.753 1.435 485 HB3 PRO 68 1HB PRO 68 12.466 -6.220 2.998 486 HG2 PRO 68 2HG PRO 68 12.141 -7.814 0.521 487 HG3 PRO 68 1HG PRO 68 13.421 -7.866 1.744 488 HD2 PRO 68 2HD PRO 68 11.492 -9.766 1.605 489 HD3 PRO 68 1HD PRO 68 12.214 -9.265 3.150 490 H TYR 69 H TYR 69 9.344 -4.566 2.843 491 HA TYR 69 HA TYR 69 7.571 -5.050 0.518 492 HB2 TYR 69 2HB TYR 69 6.280 -4.891 2.570 493 HB3 TYR 69 1HB TYR 69 7.086 -3.382 2.996 494 HD1 TYR 69 1HD TYR 69 4.889 -4.976 0.439 495 HD2 TYR 69 2HD TYR 69 6.333 -1.305 2.138 496 HE1 TYR 69 1HE TYR 69 3.215 -3.706 -0.880 497 HE2 TYR 69 2HE TYR 69 4.660 -0.036 0.818 498 HH TYR 69 HH TYR 69 2.032 -1.253 -0.471 499 H ALA 70 H ALA 70 7.688 -3.675 -1.139 500 HA ALA 70 HA ALA 70 8.871 -1.015 -0.738 501 HB1 ALA 70 1HB ALA 70 10.748 -1.449 -1.881 502 HB2 ALA 70 2HB ALA 70 9.824 -2.130 -3.220 503 HB3 ALA 70 3HB ALA 70 10.308 -3.157 -1.870 504 H TRP 71 H TRP 71 7.741 0.506 -1.777 505 HA TRP 71 HA TRP 71 6.117 -0.280 -4.116 506 HB2 TRP 71 2HB TRP 71 4.235 0.992 -3.300 507 HB3 TRP 71 1HB TRP 71 4.706 -0.161 -2.051 508 HD1 TRP 71 HD TRP 71 6.558 0.936 -0.198 509 HE1 TRP 71 1HE TRP 71 6.416 3.242 0.946 510 HE3 TRP 71 3HE TRP 71 3.399 3.326 -3.420 511 HZ2 TRP 71 2HZ TRP 71 5.132 5.767 0.545 512 HZ3 TRP 71 3HZ TRP 71 2.733 5.678 -3.016 513 HH2 TRP 71 HH TRP 71 3.594 6.901 -1.039 514 H ALA 72 H ALA 72 5.786 1.324 -5.656 515 HA ALA 72 HA ALA 72 6.769 4.009 -5.279 516 HB1 ALA 72 1HB ALA 72 8.180 2.627 -7.498 517 HB2 ALA 72 2HB ALA 72 8.749 2.287 -5.865 518 HB3 ALA 72 3HB ALA 72 8.725 3.947 -6.462 519 H GLY 73 H GLY 73 5.915 5.401 -6.776 520 HA2 GLY 73 2HA GLY 73 5.020 4.690 -9.361 521 HA3 GLY 73 1HA GLY 73 3.659 4.635 -8.246 522 H ALA 74 H ALA 74 2.793 6.384 -9.577 523 HA ALA 74 HA ALA 74 3.866 9.011 -8.740 524 HB1 ALA 74 1HB ALA 74 4.335 8.513 -11.155 525 HB2 ALA 74 2HB ALA 74 3.323 9.935 -10.900 526 HB3 ALA 74 3HB ALA 74 2.594 8.416 -11.418 527 H THR 75 H THR 75 2.424 10.352 -7.842 528 HA THR 75 HA THR 75 -0.416 9.531 -7.870 529 HB THR 75 HB THR 75 -0.609 10.235 -5.693 530 HG1 THR 75 1HG THR 75 0.111 12.114 -5.101 531 HG21 THR 75 1HG2 THR 75 2.394 9.882 -5.782 532 HG22 THR 75 2HG2 THR 75 1.260 8.536 -5.890 533 HG23 THR 75 3HG2 THR 75 1.313 9.531 -4.434 534 H TYR 76 H TYR 76 -1.611 10.694 -9.232 535 HA TYR 76 HA TYR 76 -0.842 13.479 -9.792 536 HB2 TYR 76 2HB TYR 76 -2.601 13.208 -11.638 537 HB3 TYR 76 1HB TYR 76 -1.111 12.281 -11.812 538 HD1 TYR 76 1HD TYR 76 -4.714 12.122 -11.170 539 HD2 TYR 76 2HD TYR 76 -1.070 9.854 -11.348 540 HE1 TYR 76 1HE TYR 76 -6.025 10.019 -11.224 541 HE2 TYR 76 2HE TYR 76 -2.383 7.751 -11.401 542 HH TYR 76 HH TYR 76 -5.935 7.804 -11.526 543 H ASN 77 H ASN 77 -1.913 15.088 -8.867 544 HA ASN 77 HA ASN 77 -4.310 14.548 -7.320 545 HB2 ASN 77 2HB ASN 77 -2.638 16.015 -6.354 546 HB3 ASN 77 1HB ASN 77 -2.705 17.076 -7.760 547 HD21 ASN 77 1HD2 ASN 77 -5.499 15.560 -6.105 548 HD22 ASN 77 2HD2 ASN 77 -6.206 17.028 -5.626 549 H THR 78 H THR 78 -6.319 15.569 -7.621 550 HA THR 78 HA THR 78 -7.390 15.619 -10.150 551 HB THR 78 HB THR 78 -8.984 17.438 -8.960 552 HG1 THR 78 1HG THR 78 -7.962 17.792 -7.114 553 HG21 THR 78 1HG2 THR 78 -9.788 15.283 -9.611 554 HG22 THR 78 2HG2 THR 78 -10.111 15.421 -7.883 555 HG23 THR 78 3HG2 THR 78 -8.740 14.468 -8.450 556 H ASP 79 H ASP 79 -5.216 17.856 -8.816 557 HA ASP 79 HA ASP 79 -6.036 20.119 -10.436 558 HB2 ASP 79 2HB ASP 79 -4.898 20.242 -8.145 559 HB3 ASP 79 1HB ASP 79 -3.412 19.804 -8.984 560 H ASN 80 H ASN 80 -5.087 17.389 -11.522 561 HA ASN 80 HA ASN 80 -3.862 16.606 -13.301 562 HB2 ASN 80 2HB ASN 80 -4.171 19.525 -13.999 563 HB3 ASN 80 1HB ASN 80 -3.371 18.381 -15.076 564 HD21 ASN 80 1HD2 ASN 80 -4.689 16.809 -16.178 565 HD22 ASN 80 2HD2 ASN 80 -6.385 16.844 -16.111 566 H THR 81 H THR 81 -2.429 17.330 -10.901 567 HA THR 81 HA THR 81 0.187 18.109 -12.056 568 HB THR 81 HB THR 81 0.712 18.706 -9.602 569 HG1 THR 81 1HG THR 81 -1.510 19.458 -8.754 570 HG21 THR 81 1HG2 THR 81 -1.163 20.230 -11.406 571 HG22 THR 81 2HG2 THR 81 0.563 20.482 -11.154 572 HG23 THR 81 3HG2 THR 81 -0.584 20.919 -9.889 573 H LEU 82 H LEU 82 1.744 16.622 -11.997 574 HA LEU 82 HA LEU 82 1.236 14.070 -10.702 575 HB2 LEU 82 2HB LEU 82 3.343 15.120 -12.573 576 HB3 LEU 82 1HB LEU 82 3.572 13.588 -11.730 577 HG LEU 82 HG LEU 82 1.486 12.721 -12.661 578 HD11 LEU 82 1HD1 LEU 82 1.251 15.548 -13.674 579 HD12 LEU 82 2HD1 LEU 82 0.045 14.567 -12.841 580 HD13 LEU 82 3HD1 LEU 82 0.446 14.229 -14.525 581 HD21 LEU 82 1HD2 LEU 82 2.126 12.715 -15.069 582 HD22 LEU 82 2HD2 LEU 82 3.513 12.443 -14.015 583 HD23 LEU 82 3HD2 LEU 82 3.262 14.027 -14.751 584 H VAL 83 H VAL 83 2.494 13.148 -9.076 585 HA VAL 83 HA VAL 83 4.568 14.798 -7.818 586 HB VAL 83 HB VAL 83 2.293 13.664 -6.191 587 HG11 VAL 83 1HG1 VAL 83 3.885 15.964 -5.262 588 HG12 VAL 83 2HG1 VAL 83 4.813 14.477 -5.462 589 HG13 VAL 83 3HG1 VAL 83 3.408 14.505 -4.396 590 HG21 VAL 83 1HG2 VAL 83 2.687 16.451 -7.322 591 HG22 VAL 83 2HG2 VAL 83 1.550 16.068 -6.029 592 HG23 VAL 83 3HG2 VAL 83 1.334 15.363 -7.631 593 HA PRO 84 HA PRO 84 5.733 10.300 -8.160 594 HB2 PRO 84 2HB PRO 84 8.382 11.613 -7.769 595 HB3 PRO 84 1HB PRO 84 7.900 10.368 -8.936 596 HG2 PRO 84 2HG PRO 84 8.274 12.904 -9.667 597 HG3 PRO 84 1HG PRO 84 7.022 11.891 -10.405 598 HD2 PRO 84 2HD PRO 84 6.723 14.110 -8.432 599 HD3 PRO 84 1HD PRO 84 5.609 13.575 -9.710 600 H ALA 85 H ALA 85 6.345 8.882 -6.511 601 HA ALA 85 HA ALA 85 7.482 9.856 -4.039 602 HB1 ALA 85 1HB ALA 85 5.662 9.829 -2.674 603 HB2 ALA 85 2HB ALA 85 4.885 8.519 -3.563 604 HB3 ALA 85 3HB ALA 85 4.799 10.171 -4.173 605 H ALA 86 H ALA 86 8.264 8.204 -2.733 606 HA ALA 86 HA ALA 86 7.678 5.430 -3.412 607 HB1 ALA 86 1HB ALA 86 9.511 6.125 -4.970 608 HB2 ALA 86 2HB ALA 86 9.978 4.830 -3.867 609 HB3 ALA 86 3HB ALA 86 10.512 6.484 -3.562 610 H GLY 87 H GLY 87 8.165 3.997 -1.747 611 HA2 GLY 87 2HA GLY 87 9.560 5.016 0.620 612 HA3 GLY 87 1HA GLY 87 7.876 4.540 0.821 613 H ALA 88 H ALA 88 9.633 3.229 2.339 614 HA ALA 88 HA ALA 88 9.680 0.544 1.128 615 HB1 ALA 88 1HB ALA 88 11.937 0.847 0.931 616 HB2 ALA 88 2HB ALA 88 11.903 0.392 2.635 617 HB3 ALA 88 3HB ALA 88 11.985 2.093 2.176 618 H GLY 89 H GLY 89 9.459 -1.166 2.616 619 HA2 GLY 89 2HA GLY 89 9.274 -0.669 5.450 620 HA3 GLY 89 1HA GLY 89 7.705 -0.900 4.689 621 H PHE 90 H PHE 90 7.478 -2.795 6.020 622 HA PHE 90 HA PHE 90 8.705 -5.152 4.763 623 HB2 PHE 90 2HB PHE 90 9.221 -4.211 7.461 624 HB3 PHE 90 1HB PHE 90 8.515 -5.828 7.465 625 HD1 PHE 90 1HD PHE 90 11.241 -3.766 5.964 626 HD2 PHE 90 2HD PHE 90 9.793 -7.717 6.827 627 HE1 PHE 90 1HE PHE 90 13.419 -4.719 5.258 628 HE2 PHE 90 2HE PHE 90 11.971 -8.669 6.121 629 HZ PHE 90 HZ PHE 90 13.784 -7.171 5.336 630 H ARG 91 H ARG 91 7.504 -7.112 5.104 631 HA ARG 91 HA ARG 91 4.681 -6.648 5.874 632 HB2 ARG 91 2HB ARG 91 5.864 -7.749 3.433 633 HB3 ARG 91 1HB ARG 91 4.653 -8.809 4.154 634 HG2 ARG 91 2HG ARG 91 2.997 -7.058 4.135 635 HG3 ARG 91 1HG ARG 91 4.198 -5.857 3.661 636 HD2 ARG 91 2HD ARG 91 4.559 -7.084 1.536 637 HD3 ARG 91 1HD ARG 91 3.310 -8.233 2.002 638 HE ARG 91 HE ARG 91 2.897 -5.552 1.004 639 HH11 ARG 91 1HH1 ARG 91 0.727 -4.938 0.731 640 HH12 ARG 91 2HH1 ARG 91 -0.531 -5.873 1.467 641 HH21 ARG 91 1HH2 ARG 91 1.643 -8.165 2.896 642 HH22 ARG 91 2HH2 ARG 91 -0.013 -7.700 2.692 643 H TYR 92 H TYR 92 4.377 -7.616 7.779 644 HA TYR 92 HA TYR 92 5.675 -10.222 8.279 645 HB2 TYR 92 2HB TYR 92 5.984 -8.205 9.868 646 HB3 TYR 92 1HB TYR 92 4.327 -8.535 10.373 647 HD1 TYR 92 1HD TYR 92 7.763 -9.892 10.208 648 HD2 TYR 92 2HD TYR 92 3.763 -10.516 11.641 649 HE1 TYR 92 1HE TYR 92 8.572 -11.735 11.657 650 HE2 TYR 92 2HE TYR 92 4.570 -12.360 13.091 651 HH TYR 92 HH TYR 92 7.624 -12.809 13.960 652 H LYS 93 H LYS 93 4.470 -11.984 8.948 653 HA LYS 93 HA LYS 93 1.624 -11.856 8.267 654 HB2 LYS 93 2HB LYS 93 2.696 -13.670 7.204 655 HB3 LYS 93 1HB LYS 93 3.579 -14.113 8.665 656 HG2 LYS 93 2HG LYS 93 1.693 -15.056 9.679 657 HG3 LYS 93 1HG LYS 93 0.573 -14.139 8.671 658 HD2 LYS 93 2HD LYS 93 0.789 -15.579 6.874 659 HD3 LYS 93 1HD LYS 93 2.428 -16.056 7.321 660 HE2 LYS 93 2HE LYS 93 0.022 -16.805 8.992 661 HE3 LYS 93 1HE LYS 93 0.606 -17.822 7.674 662 HZ1 LYS 93 1HZ LYS 93 2.009 -18.669 9.153 663 HZ2 LYS 93 2HZ LYS 93 1.677 -17.459 10.297 664 HZ3 LYS 93 3HZ LYS 93 2.850 -17.198 9.096 665 H VAL 94 H VAL 94 0.383 -11.196 9.925 666 HA VAL 94 HA VAL 94 1.021 -11.970 12.662 667 HB VAL 94 HB VAL 94 -1.238 -10.301 11.530 668 HG11 VAL 94 1HG1 VAL 94 -0.902 -9.665 14.203 669 HG12 VAL 94 2HG1 VAL 94 -0.701 -11.417 14.189 670 HG13 VAL 94 3HG1 VAL 94 -2.179 -10.695 13.552 671 HG21 VAL 94 1HG2 VAL 94 0.161 -8.509 12.803 672 HG22 VAL 94 2HG2 VAL 94 0.734 -9.049 11.224 673 HG23 VAL 94 3HG2 VAL 94 1.474 -9.680 12.696 674 H SER 95 H SER 95 -1.478 -12.555 10.225 675 HA SER 95 HA SER 95 -2.140 -15.078 11.478 676 HB2 SER 95 2HB SER 95 -3.698 -12.748 12.065 677 HB3 SER 95 1HB SER 95 -4.668 -13.846 11.087 678 HG SER 95 HG SER 95 -4.684 -15.234 12.678 679 HA PRO 96 HA PRO 96 -3.104 -16.132 7.314 680 HB2 PRO 96 2HB PRO 96 -5.126 -17.944 7.588 681 HB3 PRO 96 1HB PRO 96 -3.444 -18.296 8.032 682 HG2 PRO 96 2HG PRO 96 -5.745 -17.555 9.769 683 HG3 PRO 96 1HG PRO 96 -4.453 -18.735 10.048 684 HD2 PRO 96 2HD PRO 96 -4.464 -16.235 11.178 685 HD3 PRO 96 1HD PRO 96 -2.976 -17.139 10.816 686 H GLU 97 H GLU 97 -5.410 -14.538 9.232 687 HA GLU 97 HA GLU 97 -7.249 -14.163 6.951 688 HB2 GLU 97 2HB GLU 97 -7.803 -13.411 9.817 689 HB3 GLU 97 1HB GLU 97 -8.958 -13.647 8.505 690 HG2 GLU 97 2HG GLU 97 -7.928 -16.076 8.442 691 HG3 GLU 97 1HG GLU 97 -7.459 -15.698 10.098 692 H VAL 98 H VAL 98 -5.078 -12.546 9.148 693 HA VAL 98 HA VAL 98 -5.551 -10.024 7.686 694 HB VAL 98 HB VAL 98 -6.667 -9.792 9.830 695 HG11 VAL 98 1HG1 VAL 98 -5.450 -11.570 11.029 696 HG12 VAL 98 2HG1 VAL 98 -5.400 -10.058 11.935 697 HG13 VAL 98 3HG1 VAL 98 -3.988 -10.583 11.017 698 HG21 VAL 98 1HG2 VAL 98 -5.567 -7.807 10.589 699 HG22 VAL 98 2HG2 VAL 98 -5.214 -7.918 8.863 700 HG23 VAL 98 3HG2 VAL 98 -3.993 -8.390 10.045 701 H LYS 99 H LYS 99 -3.748 -8.633 7.533 702 HA LYS 99 HA LYS 99 -1.151 -9.803 8.315 703 HB2 LYS 99 2HB LYS 99 -1.570 -8.422 5.668 704 HB3 LYS 99 1HB LYS 99 -0.213 -9.424 6.179 705 HG2 LYS 99 2HG LYS 99 -1.961 -11.319 6.422 706 HG3 LYS 99 1HG LYS 99 -3.008 -10.287 5.448 707 HD2 LYS 99 2HD LYS 99 -1.110 -10.150 3.761 708 HD3 LYS 99 1HD LYS 99 -0.313 -11.427 4.679 709 HE2 LYS 99 2HE LYS 99 -2.811 -12.485 4.406 710 HE3 LYS 99 1HE LYS 99 -2.675 -11.573 2.902 711 HZ1 LYS 99 1HZ LYS 99 -0.249 -12.784 3.168 712 HZ2 LYS 99 2HZ LYS 99 -1.513 -13.294 2.153 713 HZ3 LYS 99 3HZ LYS 99 -1.338 -13.973 3.700 714 H LEU 100 H LEU 100 0.470 -8.321 8.805 715 HA LEU 100 HA LEU 100 -0.483 -5.562 9.235 716 HB2 LEU 100 2HB LEU 100 0.239 -6.751 11.254 717 HB3 LEU 100 1HB LEU 100 1.813 -7.060 10.520 718 HG LEU 100 HG LEU 100 1.030 -4.232 10.438 719 HD11 LEU 100 1HD1 LEU 100 0.012 -4.603 12.563 720 HD12 LEU 100 2HD1 LEU 100 1.618 -3.968 12.916 721 HD13 LEU 100 3HD1 LEU 100 1.300 -5.695 13.071 722 HD21 LEU 100 1HD2 LEU 100 3.445 -5.542 11.705 723 HD22 LEU 100 2HD2 LEU 100 3.326 -3.921 11.022 724 HD23 LEU 100 3HD2 LEU 100 3.301 -5.329 9.961 725 H VAL 101 H VAL 101 0.697 -3.805 8.540 726 HA VAL 101 HA VAL 101 3.135 -4.314 6.971 727 HB VAL 101 HB VAL 101 0.769 -2.691 5.998 728 HG11 VAL 101 1HG1 VAL 101 3.605 -2.775 5.271 729 HG12 VAL 101 2HG1 VAL 101 2.362 -1.613 4.807 730 HG13 VAL 101 3HG1 VAL 101 2.545 -3.117 3.905 731 HG21 VAL 101 1HG2 VAL 101 0.165 -4.922 5.611 732 HG22 VAL 101 2HG2 VAL 101 1.834 -5.435 5.373 733 HG23 VAL 101 3HG2 VAL 101 1.010 -4.508 4.120 734 H VAL 102 H VAL 102 4.599 -2.608 6.946 735 HA VAL 102 HA VAL 102 3.868 -0.098 8.230 736 HB VAL 102 HB VAL 102 4.656 -1.556 10.073 737 HG11 VAL 102 1HG1 VAL 102 6.629 -2.734 9.997 738 HG12 VAL 102 2HG1 VAL 102 7.421 -1.543 8.965 739 HG13 VAL 102 3HG1 VAL 102 6.289 -2.701 8.267 740 HG21 VAL 102 1HG2 VAL 102 6.799 0.472 9.417 741 HG22 VAL 102 2HG2 VAL 102 6.159 0.036 11.002 742 HG23 VAL 102 3HG2 VAL 102 5.169 0.963 9.875 743 H GLU 103 H GLU 103 4.420 1.265 6.694 744 HA GLU 103 HA GLU 103 7.153 1.170 5.616 745 HB2 GLU 103 2HB GLU 103 6.320 1.653 3.349 746 HB3 GLU 103 1HB GLU 103 5.722 0.099 3.934 747 HG2 GLU 103 2HG GLU 103 3.622 0.809 3.571 748 HG3 GLU 103 1HG GLU 103 3.862 2.045 4.804 749 H TYR 104 H TYR 104 7.954 3.174 4.870 750 HA TYR 104 HA TYR 104 6.390 5.534 5.736 751 HB2 TYR 104 2HB TYR 104 9.068 6.258 5.912 752 HB3 TYR 104 1HB TYR 104 8.005 5.871 7.265 753 HD1 TYR 104 1HD TYR 104 8.398 3.966 8.598 754 HD2 TYR 104 2HD TYR 104 10.305 4.311 4.765 755 HE1 TYR 104 1HE TYR 104 9.756 1.951 9.093 756 HE2 TYR 104 2HE TYR 104 11.663 2.295 5.259 757 HH TYR 104 HH TYR 104 12.179 0.752 6.766 758 H GLY 105 H GLY 105 6.234 7.162 4.301 759 HA2 GLY 105 2HA GLY 105 7.190 6.749 1.616 760 HA3 GLY 105 1HA GLY 105 6.250 8.122 2.193 761 H TRP 106 H TRP 106 8.863 7.719 0.586 762 HA TRP 106 HA TRP 106 10.309 9.892 1.934 763 HB2 TRP 106 2HB TRP 106 12.072 8.614 2.451 764 HB3 TRP 106 1HB TRP 106 11.220 7.196 1.840 765 HD1 TRP 106 HD TRP 106 11.539 6.619 -0.791 766 HE1 TRP 106 1HE TRP 106 13.532 7.071 -2.364 767 HE3 TRP 106 3HE TRP 106 13.999 10.193 1.904 768 HZ2 TRP 106 2HZ TRP 106 15.860 8.728 -2.465 769 HZ3 TRP 106 3HZ TRP 106 16.100 11.190 1.047 770 HH2 TRP 106 HH TRP 106 17.033 10.462 -1.132 771 H ASN 107 H ASN 107 11.679 11.112 0.520 772 HA ASN 107 HA ASN 107 11.330 10.611 -2.359 773 HB2 ASN 107 2HB ASN 107 10.453 13.039 -0.831 774 HB3 ASN 107 1HB ASN 107 11.002 13.206 -2.497 775 HD21 ASN 107 1HD2 ASN 107 8.514 13.873 -2.574 776 HD22 ASN 107 2HD2 ASN 107 7.443 12.612 -2.947 777 H ASN 108 H ASN 108 12.744 12.149 -3.651 778 HA ASN 108 HA ASN 108 15.396 11.809 -3.162 779 HB2 ASN 108 2HB ASN 108 14.847 14.472 -4.266 780 HB3 ASN 108 1HB ASN 108 15.707 13.110 -4.981 781 HD21 ASN 108 1HD2 ASN 108 12.397 14.338 -4.335 782 HD22 ASN 108 2HD2 ASN 108 11.670 13.482 -5.609 783 H SER 109 H SER 109 13.443 14.581 -2.084 784 HA SER 109 HA SER 109 15.009 14.910 0.290 785 HB2 SER 109 2HB SER 109 15.224 17.191 -1.667 786 HB3 SER 109 1HB SER 109 16.115 16.949 -0.167 787 HG SER 109 HG SER 109 16.274 15.358 -2.519 788 H SER 110 H SER 110 12.916 14.773 1.195 789 HA SER 110 HA SER 110 11.615 17.299 1.535 790 HB2 SER 110 2HB SER 110 10.141 17.162 -0.156 791 HB3 SER 110 1HB SER 110 10.631 15.513 -0.534 792 HG SER 110 HG SER 110 8.526 15.431 0.147 793 H LEU 111 H LEU 111 9.626 17.047 2.939 794 HA LEU 111 HA LEU 111 10.230 15.599 5.248 795 HB2 LEU 111 2HB LEU 111 7.684 16.829 4.214 796 HB3 LEU 111 1HB LEU 111 7.721 15.961 5.750 797 HG LEU 111 HG LEU 111 9.876 17.963 5.305 798 HD11 LEU 111 1HD1 LEU 111 8.009 19.240 4.462 799 HD12 LEU 111 2HD1 LEU 111 8.312 19.777 6.116 800 HD13 LEU 111 3HD1 LEU 111 6.969 18.684 5.775 801 HD21 LEU 111 1HD2 LEU 111 9.496 18.335 7.703 802 HD22 LEU 111 2HD2 LEU 111 9.652 16.608 7.380 803 HD23 LEU 111 3HD2 LEU 111 8.059 17.313 7.649 804 H GLN 112 H GLN 112 9.636 13.628 6.045 805 HA GLN 112 HA GLN 112 8.371 11.771 4.123 806 HB2 GLN 112 2HB GLN 112 9.462 10.048 5.758 807 HB3 GLN 112 1HB GLN 112 10.474 10.879 4.578 808 HG2 GLN 112 2HG GLN 112 10.074 12.199 7.224 809 HG3 GLN 112 1HG GLN 112 11.129 10.788 7.169 810 HE21 GLN 112 1HE2 GLN 112 13.025 12.181 7.570 811 HE22 GLN 112 2HE2 GLN 112 13.648 13.162 6.333 812 H PHE 113 H PHE 113 7.098 9.990 5.141 813 HA PHE 113 HA PHE 113 5.814 10.752 7.673 814 HB2 PHE 113 2HB PHE 113 3.664 9.880 6.230 815 HB3 PHE 113 1HB PHE 113 4.067 11.575 6.494 816 HD1 PHE 113 1HD PHE 113 5.546 12.763 4.791 817 HD2 PHE 113 2HD PHE 113 3.759 8.924 4.062 818 HE1 PHE 113 1HE PHE 113 5.906 13.057 2.355 819 HE2 PHE 113 2HE PHE 113 4.118 9.219 1.626 820 HZ PHE 113 HZ PHE 113 5.191 11.285 0.772 821 H LEU 114 H LEU 114 4.614 9.012 8.662 822 HA LEU 114 HA LEU 114 5.639 6.358 7.855 823 HB2 LEU 114 2HB LEU 114 5.808 7.647 10.296 824 HB3 LEU 114 1HB LEU 114 4.435 6.562 10.514 825 HG LEU 114 HG LEU 114 7.184 5.757 9.513 826 HD11 LEU 114 1HD1 LEU 114 7.177 4.451 11.687 827 HD12 LEU 114 2HD1 LEU 114 5.750 5.376 12.152 828 HD13 LEU 114 3HD1 LEU 114 7.283 6.201 11.875 829 HD21 LEU 114 1HD2 LEU 114 5.888 4.129 8.536 830 HD22 LEU 114 2HD2 LEU 114 4.539 4.394 9.641 831 HD23 LEU 114 3HD2 LEU 114 5.932 3.448 10.162 832 H GLN 115 H GLN 115 4.244 4.720 7.422 833 HA GLN 115 HA GLN 115 1.356 5.238 7.816 834 HB2 GLN 115 2HB GLN 115 2.720 4.003 5.414 835 HB3 GLN 115 1HB GLN 115 0.974 4.023 5.672 836 HG2 GLN 115 2HG GLN 115 1.132 6.543 5.871 837 HG3 GLN 115 1HG GLN 115 2.807 6.410 5.336 838 HE21 GLN 115 1HE2 GLN 115 -0.094 7.222 4.106 839 HE22 GLN 115 2HE2 GLN 115 0.053 6.608 2.530 840 H ALA 116 H ALA 116 0.192 3.613 8.670 841 HA ALA 116 HA ALA 116 1.357 0.916 8.787 842 HB1 ALA 116 1HB ALA 116 0.249 2.380 11.196 843 HB2 ALA 116 2HB ALA 116 1.960 2.069 10.899 844 HB3 ALA 116 3HB ALA 116 0.853 0.724 11.169 845 H GLY 117 H GLY 117 -0.121 -0.636 8.407 846 HA2 GLY 117 2HA GLY 117 -2.889 -0.373 9.123 847 HA3 GLY 117 1HA GLY 117 -2.627 -0.170 7.394 848 H LEU 118 H LEU 118 -3.997 -2.110 7.256 849 HA LEU 118 HA LEU 118 -2.329 -4.518 7.241 850 HB2 LEU 118 2HB LEU 118 -4.265 -5.815 8.251 851 HB3 LEU 118 1HB LEU 118 -3.380 -4.775 9.366 852 HG LEU 118 HG LEU 118 -5.549 -3.353 8.021 853 HD11 LEU 118 1HD1 LEU 118 -7.381 -4.489 9.213 854 HD12 LEU 118 2HD1 LEU 118 -6.248 -5.700 9.813 855 HD13 LEU 118 3HD1 LEU 118 -6.593 -5.596 8.088 856 HD21 LEU 118 1HD2 LEU 118 -5.956 -2.555 10.251 857 HD22 LEU 118 2HD2 LEU 118 -4.205 -2.695 10.084 858 HD23 LEU 118 3HD2 LEU 118 -5.109 -3.928 10.963 859 H SER 119 H SER 119 -3.513 -6.345 6.117 860 HA SER 119 HA SER 119 -5.382 -5.322 4.071 861 HB2 SER 119 2HB SER 119 -3.486 -7.424 3.220 862 HB3 SER 119 1HB SER 119 -4.098 -6.032 2.334 863 HG SER 119 HG SER 119 -2.651 -4.733 3.433 864 H TYR 120 H TYR 120 -6.703 -6.970 3.070 865 HA TYR 120 HA TYR 120 -6.846 -9.532 4.500 866 HB2 TYR 120 2HB TYR 120 -8.409 -7.794 5.545 867 HB3 TYR 120 1HB TYR 120 -9.323 -7.876 4.039 868 HD1 TYR 120 1HD TYR 120 -8.676 -9.444 7.214 869 HD2 TYR 120 2HD TYR 120 -10.142 -10.171 3.242 870 HE1 TYR 120 1HE TYR 120 -9.792 -11.514 8.003 871 HE2 TYR 120 2HE TYR 120 -11.259 -12.239 4.032 872 HH TYR 120 HH TYR 120 -10.613 -13.620 7.095 873 H ARG 121 H ARG 121 -7.210 -11.187 3.153 874 HA ARG 121 HA ARG 121 -7.704 -10.608 0.338 875 HB2 ARG 121 2HB ARG 121 -7.013 -13.159 1.810 876 HB3 ARG 121 1HB ARG 121 -7.277 -13.068 0.068 877 HG2 ARG 121 2HG ARG 121 -5.425 -11.567 -0.220 878 HG3 ARG 121 1HG ARG 121 -5.260 -11.340 1.522 879 HD2 ARG 121 2HD ARG 121 -4.874 -13.982 0.088 880 HD3 ARG 121 1HD ARG 121 -3.564 -12.919 0.592 881 HE ARG 121 HE ARG 121 -4.917 -13.302 2.905 882 HH11 ARG 121 1HH1 ARG 121 -4.580 -15.050 4.316 883 HH12 ARG 121 2HH1 ARG 121 -3.973 -16.550 3.700 884 HH21 ARG 121 1HH2 ARG 121 -3.777 -15.429 0.424 885 HH22 ARG 121 2HH2 ARG 121 -3.519 -16.765 1.496 886 H ILE 122 H ILE 122 -9.495 -11.222 -0.807 887 HA ILE 122 HA ILE 122 -11.879 -11.813 0.749 888 HB ILE 122 HB ILE 122 -11.457 -11.259 -2.195 889 HG12 ILE 122 2HG1 ILE 122 -12.866 -9.581 -0.110 890 HG13 ILE 122 1HG1 ILE 122 -11.141 -9.412 -0.438 891 HG21 ILE 122 1HG2 ILE 122 -14.031 -10.929 -2.025 892 HG22 ILE 122 2HG2 ILE 122 -13.911 -11.933 -0.580 893 HG23 ILE 122 3HG2 ILE 122 -13.409 -12.576 -2.145 894 HD11 ILE 122 1HD1 ILE 122 -13.209 -9.278 -2.637 895 HD12 ILE 122 2HD1 ILE 122 -11.527 -8.746 -2.690 896 HD13 ILE 122 3HD1 ILE 122 -12.707 -7.846 -1.737 897 H GLN 123 H GLN 123 -11.158 -13.097 -2.458 898 HA GLN 123 HA GLN 123 -11.082 -15.828 -1.438 899 HB2 GLN 123 2HB GLN 123 -12.975 -16.602 -2.661 900 HB3 GLN 123 1HB GLN 123 -13.514 -15.147 -1.824 901 HG2 GLN 123 2HG GLN 123 -12.634 -14.000 -4.079 902 HG3 GLN 123 1HG GLN 123 -13.025 -15.590 -4.731 903 HE21 GLN 123 1HE2 GLN 123 -14.391 -12.674 -4.598 904 HE22 GLN 123 2HE2 GLN 123 -16.017 -13.084 -4.337 905 HA PRO 124 HA PRO 124 -8.065 -16.578 -4.600 906 HB2 PRO 124 2HB PRO 124 -9.948 -18.704 -5.562 907 HB3 PRO 124 1HB PRO 124 -8.199 -18.794 -5.276 908 HG2 PRO 124 2HG PRO 124 -10.009 -19.771 -3.541 909 HG3 PRO 124 1HG PRO 124 -8.444 -19.118 -3.037 910 HD2 PRO 124 2HD PRO 124 -11.128 -18.007 -2.603 911 HD3 PRO 124 1HD PRO 124 -9.595 -17.576 -1.818 Start of MODEL 17 1 H1 MET 1 1HT MET 1 -2.001 -19.586 -5.319 2 H2 MET 1 2HT MET 1 -0.541 -19.975 -4.541 3 H3 MET 1 3HT MET 1 -1.993 -19.933 -3.659 4 HA MET 1 HA MET 1 -1.410 -21.831 -5.865 5 HB2 MET 1 2HB MET 1 -0.761 -21.846 -3.005 6 HB3 MET 1 1HB MET 1 -1.686 -23.262 -3.509 7 HG2 MET 1 2HG MET 1 -0.072 -23.843 -5.173 8 HG3 MET 1 1HG MET 1 0.744 -22.286 -5.022 9 HE1 MET 1 1HE MET 1 2.220 -24.632 -5.214 10 HE2 MET 1 2HE MET 1 1.455 -25.891 -4.247 11 HE3 MET 1 3HE MET 1 3.036 -25.268 -3.778 12 H GLN 2 H GLN 2 -3.526 -20.606 -3.327 13 HA GLN 2 HA GLN 2 -5.677 -22.419 -4.182 14 HB2 GLN 2 2HB GLN 2 -6.781 -20.989 -2.177 15 HB3 GLN 2 1HB GLN 2 -5.820 -22.443 -1.906 16 HG2 GLN 2 2HG GLN 2 -5.123 -20.479 -0.491 17 HG3 GLN 2 1HG GLN 2 -3.832 -21.136 -1.494 18 HE21 GLN 2 1HE2 GLN 2 -6.529 -18.973 -2.482 19 HE22 GLN 2 2HE2 GLN 2 -5.521 -17.714 -3.008 20 H ASP 3 H ASP 3 -4.499 -19.660 -5.308 21 HA ASP 3 HA ASP 3 -7.125 -18.744 -6.234 22 HB2 ASP 3 2HB ASP 3 -6.490 -16.371 -5.801 23 HB3 ASP 3 1HB ASP 3 -6.716 -17.310 -4.325 24 H GLY 4 H GLY 4 -6.974 -17.334 -8.114 25 HA2 GLY 4 2HA GLY 4 -4.581 -17.962 -9.720 26 HA3 GLY 4 1HA GLY 4 -6.170 -17.568 -10.365 27 HA PRO 5 HA PRO 5 -3.427 -13.750 -10.226 28 HB2 PRO 5 2HB PRO 5 -3.239 -13.350 -12.924 29 HB3 PRO 5 1HB PRO 5 -2.090 -14.339 -12.004 30 HG2 PRO 5 2HG PRO 5 -4.358 -15.182 -13.727 31 HG3 PRO 5 1HG PRO 5 -2.764 -15.924 -13.510 32 HD2 PRO 5 2HD PRO 5 -5.065 -16.862 -12.312 33 HD3 PRO 5 1HD PRO 5 -3.431 -17.127 -11.664 34 H GLY 6 H GLY 6 -4.263 -11.687 -10.328 35 HA2 GLY 6 2HA GLY 6 -5.683 -9.967 -11.122 36 HA3 GLY 6 1HA GLY 6 -6.687 -11.186 -11.902 37 H THR 7 H THR 7 -5.791 -12.028 -8.743 38 HA THR 7 HA THR 7 -8.394 -12.177 -7.751 39 HB THR 7 HB THR 7 -6.312 -11.661 -5.731 40 HG1 THR 7 1HG THR 7 -5.044 -13.336 -6.306 41 HG21 THR 7 1HG2 THR 7 -8.582 -12.736 -5.392 42 HG22 THR 7 2HG2 THR 7 -7.218 -13.669 -4.776 43 HG23 THR 7 3HG2 THR 7 -7.978 -14.120 -6.302 44 H LEU 8 H LEU 8 -9.318 -10.965 -5.918 45 HA LEU 8 HA LEU 8 -8.685 -8.075 -6.084 46 HB2 LEU 8 2HB LEU 8 -11.393 -9.329 -5.576 47 HB3 LEU 8 1HB LEU 8 -11.042 -7.610 -5.765 48 HG LEU 8 HG LEU 8 -9.938 -8.612 -8.050 49 HD11 LEU 8 1HD1 LEU 8 -12.473 -10.205 -7.577 50 HD12 LEU 8 2HD1 LEU 8 -10.851 -10.881 -7.435 51 HD13 LEU 8 3HD1 LEU 8 -11.421 -10.275 -8.990 52 HD21 LEU 8 1HD2 LEU 8 -11.365 -6.716 -8.130 53 HD22 LEU 8 2HD2 LEU 8 -12.720 -7.606 -7.434 54 HD23 LEU 8 3HD2 LEU 8 -12.206 -7.936 -9.089 55 H ASP 9 H ASP 9 -8.152 -7.117 -4.226 56 HA ASP 9 HA ASP 9 -9.078 -8.274 -1.687 57 HB2 ASP 9 2HB ASP 9 -6.194 -7.529 -2.214 58 HB3 ASP 9 1HB ASP 9 -6.857 -8.186 -0.719 59 H VAL 10 H VAL 10 -8.807 -6.795 0.136 60 HA VAL 10 HA VAL 10 -8.679 -3.954 -0.686 61 HB VAL 10 HB VAL 10 -11.021 -4.934 -0.173 62 HG11 VAL 10 1HG1 VAL 10 -11.600 -5.297 2.082 63 HG12 VAL 10 2HG1 VAL 10 -10.155 -4.477 2.679 64 HG13 VAL 10 3HG1 VAL 10 -10.022 -6.073 1.939 65 HG21 VAL 10 1HG2 VAL 10 -9.780 -2.466 1.024 66 HG22 VAL 10 2HG2 VAL 10 -11.483 -2.824 1.310 67 HG23 VAL 10 3HG2 VAL 10 -10.895 -2.595 -0.336 68 H PHE 11 H PHE 11 -7.555 -2.601 0.643 69 HA PHE 11 HA PHE 11 -6.713 -3.537 3.282 70 HB2 PHE 11 2HB PHE 11 -4.388 -3.384 2.874 71 HB3 PHE 11 1HB PHE 11 -5.026 -4.306 1.512 72 HD1 PHE 11 1HD PHE 11 -5.033 -3.410 -0.723 73 HD2 PHE 11 2HD PHE 11 -3.813 -0.978 2.601 74 HE1 PHE 11 1HE PHE 11 -4.152 -1.705 -2.293 75 HE2 PHE 11 2HE PHE 11 -2.933 0.727 1.030 76 HZ PHE 11 HZ PHE 11 -3.102 0.364 -1.417 77 H VAL 12 H VAL 12 -6.290 -1.904 4.702 78 HA VAL 12 HA VAL 12 -6.701 0.847 3.696 79 HB VAL 12 HB VAL 12 -6.965 0.092 6.585 80 HG11 VAL 12 1HG1 VAL 12 -8.591 1.995 4.889 81 HG12 VAL 12 2HG1 VAL 12 -7.065 2.472 5.633 82 HG13 VAL 12 3HG1 VAL 12 -8.423 1.975 6.644 83 HG21 VAL 12 1HG2 VAL 12 -9.415 -0.335 6.083 84 HG22 VAL 12 2HG2 VAL 12 -8.318 -1.595 5.520 85 HG23 VAL 12 3HG2 VAL 12 -8.976 -0.424 4.377 86 H ALA 13 H ALA 13 -5.410 2.542 4.632 87 HA ALA 13 HA ALA 13 -3.136 1.836 6.263 88 HB1 ALA 13 1HB ALA 13 -1.807 3.168 4.271 89 HB2 ALA 13 2HB ALA 13 -2.929 2.168 3.348 90 HB3 ALA 13 3HB ALA 13 -1.804 1.417 4.480 91 H ALA 14 H ALA 14 -3.250 3.362 7.713 92 HA ALA 14 HA ALA 14 -3.792 6.148 6.876 93 HB1 ALA 14 1HB ALA 14 -4.310 4.806 9.542 94 HB2 ALA 14 2HB ALA 14 -5.532 5.269 8.355 95 HB3 ALA 14 3HB ALA 14 -4.597 6.510 9.188 96 H GLY 15 H GLY 15 -2.208 7.591 7.175 97 HA2 GLY 15 2HA GLY 15 -0.107 7.017 9.165 98 HA3 GLY 15 1HA GLY 15 0.343 7.405 7.510 99 H TRP 16 H TRP 16 1.530 9.164 8.597 100 HA TRP 16 HA TRP 16 -0.067 11.595 8.570 101 HB2 TRP 16 2HB TRP 16 1.497 11.973 10.849 102 HB3 TRP 16 1HB TRP 16 -0.250 11.732 10.807 103 HD1 TRP 16 HD TRP 16 3.016 9.716 11.111 104 HE1 TRP 16 1HE TRP 16 2.501 7.522 12.363 105 HE3 TRP 16 3HE TRP 16 -2.058 10.114 11.539 106 HZ2 TRP 16 2HZ TRP 16 0.236 6.121 13.408 107 HZ3 TRP 16 3HZ TRP 16 -3.367 8.338 12.664 108 HH2 TRP 16 HH TRP 16 -2.228 6.343 13.600 109 H ASN 17 H ASN 17 1.199 13.488 8.313 110 HA ASN 17 HA ASN 17 3.951 12.941 7.386 111 HB2 ASN 17 2HB ASN 17 2.043 15.168 6.642 112 HB3 ASN 17 1HB ASN 17 3.689 14.997 6.034 113 HD21 ASN 17 1HD2 ASN 17 2.577 14.820 3.842 114 HD22 ASN 17 2HD2 ASN 17 1.968 13.309 3.372 115 H THR 18 H THR 18 5.632 14.325 7.982 116 HA THR 18 HA THR 18 5.776 15.213 10.576 117 HB THR 18 HB THR 18 7.232 16.495 8.255 118 HG1 THR 18 1HG THR 18 8.394 14.742 8.147 119 HG21 THR 18 1HG2 THR 18 7.612 17.690 10.303 120 HG22 THR 18 2HG2 THR 18 9.030 16.677 10.031 121 HG23 THR 18 3HG2 THR 18 7.811 16.190 11.210 122 H ASP 19 H ASP 19 4.016 16.613 8.030 123 HA ASP 19 HA ASP 19 4.086 19.344 8.862 124 HB2 ASP 19 2HB ASP 19 2.712 17.742 6.847 125 HB3 ASP 19 1HB ASP 19 1.669 18.978 7.548 126 H ASN 20 H ASN 20 3.226 16.934 10.698 127 HA ASN 20 HA ASN 20 1.842 16.652 12.509 128 HB2 ASN 20 2HB ASN 20 1.208 19.591 12.214 129 HB3 ASN 20 1HB ASN 20 1.143 18.614 13.680 130 HD21 ASN 20 1HD2 ASN 20 3.483 19.788 11.207 131 HD22 ASN 20 2HD2 ASN 20 4.805 19.834 12.271 132 H THR 21 H THR 21 0.740 15.951 10.068 133 HA THR 21 HA THR 21 -2.103 16.519 10.574 134 HB THR 21 HB THR 21 -2.168 16.382 7.893 135 HG1 THR 21 1HG THR 21 0.359 16.541 8.367 136 HG21 THR 21 1HG2 THR 21 -1.607 18.824 9.594 137 HG22 THR 21 2HG2 THR 21 -3.189 18.156 9.191 138 HG23 THR 21 3HG2 THR 21 -2.196 18.890 7.932 139 H ILE 22 H ILE 22 -3.543 14.912 9.647 140 HA ILE 22 HA ILE 22 -2.285 12.259 9.622 141 HB ILE 22 HB ILE 22 -4.532 11.397 9.998 142 HG12 ILE 22 2HG1 ILE 22 -6.120 13.624 10.472 143 HG13 ILE 22 1HG1 ILE 22 -5.244 14.061 9.005 144 HG21 ILE 22 1HG2 ILE 22 -4.552 11.985 12.205 145 HG22 ILE 22 2HG2 ILE 22 -4.575 13.712 11.846 146 HG23 ILE 22 3HG2 ILE 22 -3.054 12.819 11.789 147 HD11 ILE 22 1HD1 ILE 22 -7.333 12.872 8.454 148 HD12 ILE 22 2HD1 ILE 22 -6.811 11.498 9.427 149 HD13 ILE 22 3HD1 ILE 22 -5.928 11.927 7.963 150 H GLU 23 H GLU 23 -2.758 10.720 8.001 151 HA GLU 23 HA GLU 23 -3.973 11.760 5.528 152 HB2 GLU 23 2HB GLU 23 -1.280 11.675 5.758 153 HB3 GLU 23 1HB GLU 23 -1.590 10.034 5.190 154 HG2 GLU 23 2HG GLU 23 -2.550 12.585 3.859 155 HG3 GLU 23 1HG GLU 23 -1.248 11.545 3.284 156 H ILE 24 H ILE 24 -5.676 10.463 5.243 157 HA ILE 24 HA ILE 24 -5.452 7.612 5.921 158 HB ILE 24 HB ILE 24 -7.390 9.023 6.744 159 HG12 ILE 24 2HG1 ILE 24 -8.013 6.644 4.963 160 HG13 ILE 24 1HG1 ILE 24 -7.486 6.558 6.645 161 HG21 ILE 24 1HG2 ILE 24 -7.506 10.095 4.330 162 HG22 ILE 24 2HG2 ILE 24 -8.980 9.857 5.267 163 HG23 ILE 24 3HG2 ILE 24 -8.549 8.713 3.996 164 HD11 ILE 24 1HD1 ILE 24 -9.842 6.364 6.766 165 HD12 ILE 24 2HD1 ILE 24 -10.092 7.617 5.550 166 HD13 ILE 24 3HD1 ILE 24 -9.528 8.053 7.163 167 H THR 25 H THR 25 -5.419 6.046 4.412 168 HA THR 25 HA THR 25 -6.208 6.669 1.656 169 HB THR 25 HB THR 25 -3.988 5.290 1.084 170 HG1 THR 25 1HG THR 25 -3.508 5.291 3.403 171 HG21 THR 25 1HG2 THR 25 -2.860 7.566 0.837 172 HG22 THR 25 2HG2 THR 25 -4.290 8.252 1.608 173 HG23 THR 25 3HG2 THR 25 -4.441 7.403 0.070 174 H GLY 26 H GLY 26 -7.026 4.937 0.555 175 HA2 GLY 26 2HA GLY 26 -6.605 2.218 1.407 176 HA3 GLY 26 1HA GLY 26 -8.207 2.823 1.817 177 H GLY 27 H GLY 27 -7.586 0.685 -0.019 178 HA2 GLY 27 2HA GLY 27 -9.306 1.351 -2.156 179 HA3 GLY 27 1HA GLY 27 -7.639 1.429 -2.721 180 H ALA 28 H ALA 28 -7.866 -0.345 -4.101 181 HA ALA 28 HA ALA 28 -8.134 -2.964 -2.745 182 HB1 ALA 28 1HB ALA 28 -8.713 -2.670 -5.661 183 HB2 ALA 28 2HB ALA 28 -9.933 -2.137 -4.503 184 HB3 ALA 28 3HB ALA 28 -9.378 -3.812 -4.493 185 H THR 29 H THR 29 -7.029 -4.743 -3.999 186 HA THR 29 HA THR 29 -4.631 -3.800 -5.424 187 HB THR 29 HB THR 29 -4.722 -5.473 -2.929 188 HG1 THR 29 1HG THR 29 -4.068 -3.515 -2.427 189 HG21 THR 29 1HG2 THR 29 -2.763 -5.611 -5.209 190 HG22 THR 29 2HG2 THR 29 -3.482 -6.932 -4.286 191 HG23 THR 29 3HG2 THR 29 -2.235 -5.921 -3.555 192 H TYR 30 H TYR 30 -3.997 -5.090 -7.079 193 HA TYR 30 HA TYR 30 -5.651 -7.476 -7.601 194 HB2 TYR 30 2HB TYR 30 -4.051 -5.683 -9.436 195 HB3 TYR 30 1HB TYR 30 -4.803 -7.190 -9.959 196 HD1 TYR 30 1HD TYR 30 -7.218 -7.403 -10.140 197 HD2 TYR 30 2HD TYR 30 -5.422 -3.764 -8.734 198 HE1 TYR 30 1HE TYR 30 -9.385 -6.229 -10.411 199 HE2 TYR 30 2HE TYR 30 -7.589 -2.589 -9.006 200 HH TYR 30 HH TYR 30 -10.476 -4.110 -9.310 201 H GLN 31 H GLN 31 -4.737 -9.365 -7.145 202 HA GLN 31 HA GLN 31 -1.831 -9.586 -6.958 203 HB2 GLN 31 2HB GLN 31 -3.261 -10.562 -5.188 204 HB3 GLN 31 1HB GLN 31 -3.982 -11.638 -6.384 205 HG2 GLN 31 2HG GLN 31 -1.110 -11.781 -6.568 206 HG3 GLN 31 1HG GLN 31 -1.611 -12.065 -4.902 207 HE21 GLN 31 1HE2 GLN 31 -1.929 -13.279 -8.227 208 HE22 GLN 31 2HE2 GLN 31 -2.573 -14.787 -7.792 209 H LEU 32 H LEU 32 -0.869 -9.804 -8.899 210 HA LEU 32 HA LEU 32 -2.076 -11.583 -10.906 211 HB2 LEU 32 2HB LEU 32 -0.627 -9.131 -11.042 212 HB3 LEU 32 1HB LEU 32 0.332 -10.377 -11.844 213 HG LEU 32 HG LEU 32 -1.687 -11.036 -13.153 214 HD11 LEU 32 1HD1 LEU 32 -3.715 -10.306 -12.511 215 HD12 LEU 32 2HD1 LEU 32 -3.215 -8.641 -12.808 216 HD13 LEU 32 3HD1 LEU 32 -2.965 -9.366 -11.220 217 HD21 LEU 32 1HD2 LEU 32 -1.796 -8.810 -14.467 218 HD22 LEU 32 2HD2 LEU 32 -0.215 -9.571 -14.300 219 HD23 LEU 32 3HD2 LEU 32 -0.648 -8.201 -13.276 220 H SER 33 H SER 33 1.052 -10.979 -9.309 221 HA SER 33 HA SER 33 1.603 -13.826 -9.251 222 HB2 SER 33 2HB SER 33 3.965 -12.686 -10.344 223 HB3 SER 33 1HB SER 33 2.926 -13.920 -11.052 224 HG SER 33 HG SER 33 1.558 -12.002 -11.632 225 HA PRO 34 HA PRO 34 3.840 -12.688 -5.643 226 HB2 PRO 34 2HB PRO 34 5.970 -14.417 -5.663 227 HB3 PRO 34 1HB PRO 34 4.313 -14.903 -5.260 228 HG2 PRO 34 2HG PRO 34 5.823 -15.247 -7.797 229 HG3 PRO 34 1HG PRO 34 4.681 -16.344 -7.003 230 HD2 PRO 34 2HD PRO 34 4.006 -14.785 -9.153 231 HD3 PRO 34 1HD PRO 34 2.835 -15.304 -7.921 232 H TYR 35 H TYR 35 5.193 -12.235 -8.700 233 HA TYR 35 HA TYR 35 7.773 -11.235 -7.898 234 HB2 TYR 35 2HB TYR 35 6.602 -12.004 -10.304 235 HB3 TYR 35 1HB TYR 35 6.805 -10.260 -10.464 236 HD1 TYR 35 1HD TYR 35 9.078 -9.234 -10.025 237 HD2 TYR 35 2HD TYR 35 8.474 -13.473 -10.369 238 HE1 TYR 35 1HE TYR 35 11.507 -9.548 -10.412 239 HE2 TYR 35 2HE TYR 35 10.904 -13.787 -10.755 240 HH TYR 35 HH TYR 35 13.084 -11.019 -11.092 241 H ILE 36 H ILE 36 4.930 -9.628 -9.353 242 HA ILE 36 HA ILE 36 5.425 -7.300 -7.626 243 HB ILE 36 HB ILE 36 5.350 -7.310 -10.636 244 HG12 ILE 36 2HG1 ILE 36 7.087 -5.763 -8.698 245 HG13 ILE 36 1HG1 ILE 36 7.508 -7.377 -9.271 246 HG21 ILE 36 1HG2 ILE 36 3.731 -5.656 -10.189 247 HG22 ILE 36 2HG2 ILE 36 5.233 -4.736 -10.278 248 HG23 ILE 36 3HG2 ILE 36 4.539 -5.138 -8.710 249 HD11 ILE 36 1HD1 ILE 36 8.150 -5.011 -10.553 250 HD12 ILE 36 2HD1 ILE 36 6.727 -5.562 -11.437 251 HD13 ILE 36 3HD1 ILE 36 8.142 -6.606 -11.302 252 H MET 37 H MET 37 3.596 -6.066 -7.178 253 HA MET 37 HA MET 37 1.027 -7.137 -8.183 254 HB2 MET 37 2HB MET 37 1.280 -6.021 -5.413 255 HB3 MET 37 1HB MET 37 0.101 -7.166 -6.052 256 HG2 MET 37 2HG MET 37 2.251 -8.672 -6.418 257 HG3 MET 37 1HG MET 37 2.913 -7.650 -5.141 258 HE1 MET 37 1HE MET 37 2.384 -10.863 -5.106 259 HE2 MET 37 2HE MET 37 0.957 -10.608 -6.108 260 HE3 MET 37 3HE MET 37 0.789 -11.362 -4.525 261 H VAL 38 H VAL 38 -0.732 -5.620 -8.195 262 HA VAL 38 HA VAL 38 0.194 -2.831 -8.500 263 HB VAL 38 HB VAL 38 -2.162 -4.290 -9.714 264 HG11 VAL 38 1HG1 VAL 38 -1.342 -1.379 -9.745 265 HG12 VAL 38 2HG1 VAL 38 -2.912 -2.062 -9.321 266 HG13 VAL 38 3HG1 VAL 38 -2.367 -2.077 -10.998 267 HG21 VAL 38 1HG2 VAL 38 0.154 -2.931 -11.103 268 HG22 VAL 38 2HG2 VAL 38 -0.979 -4.107 -11.768 269 HG23 VAL 38 3HG2 VAL 38 0.239 -4.619 -10.600 270 H LYS 39 H LYS 39 -0.820 -1.181 -7.439 271 HA LYS 39 HA LYS 39 -3.153 -1.819 -5.763 272 HB2 LYS 39 2HB LYS 39 -1.887 -0.278 -4.015 273 HB3 LYS 39 1HB LYS 39 -1.604 -2.018 -4.068 274 HG2 LYS 39 2HG LYS 39 0.475 -1.793 -5.061 275 HG3 LYS 39 1HG LYS 39 0.057 -0.262 -5.831 276 HD2 LYS 39 2HD LYS 39 0.141 -0.357 -2.842 277 HD3 LYS 39 1HD LYS 39 1.672 -0.331 -3.720 278 HE2 LYS 39 2HE LYS 39 1.090 1.725 -4.830 279 HE3 LYS 39 1HE LYS 39 -0.563 1.649 -4.222 280 HZ1 LYS 39 1HZ LYS 39 1.064 3.155 -3.010 281 HZ2 LYS 39 2HZ LYS 39 1.758 1.731 -2.394 282 HZ3 LYS 39 3HZ LYS 39 0.133 2.102 -2.061 283 H ALA 40 H ALA 40 -4.669 -0.285 -5.873 284 HA ALA 40 HA ALA 40 -3.898 2.479 -6.495 285 HB1 ALA 40 1HB ALA 40 -4.404 1.852 -8.678 286 HB2 ALA 40 2HB ALA 40 -5.961 2.446 -8.103 287 HB3 ALA 40 3HB ALA 40 -5.650 0.712 -8.168 288 H GLY 41 H GLY 41 -5.034 3.923 -5.341 289 HA2 GLY 41 2HA GLY 41 -7.729 3.333 -4.418 290 HA3 GLY 41 1HA GLY 41 -6.514 3.461 -3.150 291 H TYR 42 H TYR 42 -7.525 5.312 -2.277 292 HA TYR 42 HA TYR 42 -6.951 7.780 -3.784 293 HB2 TYR 42 2HB TYR 42 -9.142 8.583 -2.481 294 HB3 TYR 42 1HB TYR 42 -9.225 7.859 -4.086 295 HD1 TYR 42 1HD TYR 42 -9.218 6.914 -0.459 296 HD2 TYR 42 2HD TYR 42 -10.552 5.958 -4.429 297 HE1 TYR 42 1HE TYR 42 -10.589 5.058 0.448 298 HE2 TYR 42 2HE TYR 42 -11.923 4.102 -3.522 299 HH TYR 42 HH TYR 42 -11.698 3.129 -0.157 300 H GLY 43 H GLY 43 -6.887 9.707 -2.357 301 HA2 GLY 43 2HA GLY 43 -6.223 9.064 0.446 302 HA3 GLY 43 1HA GLY 43 -5.085 9.980 -0.538 303 H TRP 44 H TRP 44 -6.636 10.700 1.920 304 HA TRP 44 HA TRP 44 -7.573 13.295 0.957 305 HB2 TRP 44 2HB TRP 44 -9.616 11.974 0.922 306 HB3 TRP 44 1HB TRP 44 -9.317 11.414 2.567 307 HD1 TRP 44 HD TRP 44 -9.334 14.929 0.924 308 HE1 TRP 44 1HE TRP 44 -10.728 16.498 2.420 309 HE3 TRP 44 3HE TRP 44 -10.738 11.650 4.578 310 HZ2 TRP 44 2HZ TRP 44 -12.237 16.379 4.847 311 HZ3 TRP 44 3HZ TRP 44 -12.152 12.403 6.469 312 HH2 TRP 44 HH TRP 44 -12.903 14.761 6.608 313 H ASN 45 H ASN 45 -7.906 14.830 2.738 314 HA ASN 45 HA ASN 45 -6.641 14.066 5.277 315 HB2 ASN 45 2HB ASN 45 -4.779 14.956 4.079 316 HB3 ASN 45 1HB ASN 45 -5.735 16.301 3.462 317 HD21 ASN 45 1HD2 ASN 45 -3.982 17.676 4.518 318 HD22 ASN 45 2HD2 ASN 45 -4.117 18.007 6.176 319 H ASN 46 H ASN 46 -7.051 17.379 4.341 320 HA ASN 46 HA ASN 46 -9.719 17.657 5.398 321 HB2 ASN 46 2HB ASN 46 -8.782 17.557 7.542 322 HB3 ASN 46 1HB ASN 46 -7.318 18.402 7.045 323 HD21 ASN 46 1HD2 ASN 46 -10.730 19.338 6.410 324 HD22 ASN 46 2HD2 ASN 46 -10.630 20.821 7.231 325 H SER 47 H SER 47 -9.952 18.623 3.313 326 HA SER 47 HA SER 47 -9.580 21.457 3.326 327 HB2 SER 47 2HB SER 47 -8.233 21.351 1.101 328 HB3 SER 47 1HB SER 47 -7.370 21.178 2.627 329 HG SER 47 HG SER 47 -7.572 18.891 2.337 330 H SER 48 H SER 48 -9.348 19.677 0.341 331 HA SER 48 HA SER 48 -12.057 19.189 -0.184 332 HB2 SER 48 2HB SER 48 -11.336 21.974 -0.328 333 HB3 SER 48 1HB SER 48 -11.792 21.388 -1.925 334 HG SER 48 HG SER 48 -13.312 20.740 0.359 335 H LEU 49 H LEU 49 -8.868 19.112 -0.901 336 HA LEU 49 HA LEU 49 -9.132 18.706 -3.781 337 HB2 LEU 49 2HB LEU 49 -6.661 18.254 -2.109 338 HB3 LEU 49 1HB LEU 49 -6.763 18.602 -3.836 339 HG LEU 49 HG LEU 49 -7.522 20.496 -1.592 340 HD11 LEU 49 1HD1 LEU 49 -5.520 21.422 -3.464 341 HD12 LEU 49 2HD1 LEU 49 -5.019 19.891 -2.746 342 HD13 LEU 49 3HD1 LEU 49 -5.409 21.265 -1.711 343 HD21 LEU 49 1HD2 LEU 49 -7.610 22.100 -3.637 344 HD22 LEU 49 2HD2 LEU 49 -8.978 21.017 -3.376 345 HD23 LEU 49 3HD2 LEU 49 -7.766 20.629 -4.597 346 H ASN 50 H ASN 50 -7.688 16.702 -4.526 347 HA ASN 50 HA ASN 50 -8.392 14.340 -2.911 348 HB2 ASN 50 2HB ASN 50 -9.644 15.112 -5.372 349 HB3 ASN 50 1HB ASN 50 -8.721 13.635 -5.637 350 HD21 ASN 50 1HD2 ASN 50 -9.139 11.831 -3.979 351 HD22 ASN 50 2HD2 ASN 50 -10.705 11.702 -3.340 352 H ARG 51 H ARG 51 -7.092 12.496 -3.313 353 HA ARG 51 HA ARG 51 -4.695 12.956 -4.974 354 HB2 ARG 51 2HB ARG 51 -4.705 11.815 -2.169 355 HB3 ARG 51 1HB ARG 51 -3.293 11.981 -3.214 356 HG2 ARG 51 2HG ARG 51 -3.019 14.017 -2.270 357 HG3 ARG 51 1HG ARG 51 -4.399 14.524 -3.243 358 HD2 ARG 51 2HD ARG 51 -4.927 15.126 -0.991 359 HD3 ARG 51 1HD ARG 51 -5.885 13.693 -1.352 360 HE ARG 51 HE ARG 51 -4.667 12.547 0.256 361 HH11 ARG 51 1HH1 ARG 51 -3.053 12.369 1.843 362 HH12 ARG 51 2HH1 ARG 51 -1.810 13.570 1.946 363 HH21 ARG 51 1HH2 ARG 51 -3.033 15.443 -0.704 364 HH22 ARG 51 2HH2 ARG 51 -1.798 15.310 0.504 365 H PHE 52 H PHE 52 -4.532 11.393 -6.433 366 HA PHE 52 HA PHE 52 -5.787 8.786 -5.881 367 HB2 PHE 52 2HB PHE 52 -4.990 10.191 -8.428 368 HB3 PHE 52 1HB PHE 52 -5.401 8.477 -8.394 369 HD1 PHE 52 1HD PHE 52 -6.679 11.899 -7.793 370 HD2 PHE 52 2HD PHE 52 -7.669 7.728 -8.059 371 HE1 PHE 52 1HE PHE 52 -9.092 12.474 -7.823 372 HE2 PHE 52 2HE PHE 52 -10.080 8.303 -8.087 373 HZ PHE 52 HZ PHE 52 -10.792 10.675 -7.970 374 H GLU 53 H GLU 53 -4.516 7.171 -5.264 375 HA GLU 53 HA GLU 53 -1.626 7.350 -5.693 376 HB2 GLU 53 2HB GLU 53 -3.307 6.281 -3.655 377 HB3 GLU 53 1HB GLU 53 -2.372 4.953 -4.341 378 HG2 GLU 53 2HG GLU 53 -0.296 6.269 -4.039 379 HG3 GLU 53 1HG GLU 53 -1.241 7.571 -3.314 380 H PHE 54 H PHE 54 -0.533 6.141 -7.126 381 HA PHE 54 HA PHE 54 -1.746 3.712 -8.221 382 HB2 PHE 54 2HB PHE 54 -1.803 6.191 -9.613 383 HB3 PHE 54 1HB PHE 54 -0.623 5.158 -10.419 384 HD1 PHE 54 1HD PHE 54 -1.308 3.312 -11.742 385 HD2 PHE 54 2HD PHE 54 -4.130 5.261 -9.154 386 HE1 PHE 54 1HE PHE 54 -3.149 1.998 -12.759 387 HE2 PHE 54 2HE PHE 54 -5.971 3.947 -10.172 388 HZ PHE 54 HZ PHE 54 -5.480 2.316 -11.975 389 H GLY 55 H GLY 55 -0.241 2.184 -8.121 390 HA2 GLY 55 2HA GLY 55 2.288 2.304 -9.295 391 HA3 GLY 55 1HA GLY 55 2.495 2.696 -7.591 392 H GLY 56 H GLY 56 3.774 0.720 -7.489 393 HA2 GLY 56 2HA GLY 56 2.135 -1.547 -6.701 394 HA3 GLY 56 1HA GLY 56 3.191 -1.840 -8.080 395 H GLY 57 H GLY 57 3.649 -3.401 -5.976 396 HA2 GLY 57 2HA GLY 57 6.198 -2.368 -4.922 397 HA3 GLY 57 1HA GLY 57 5.024 -3.056 -3.803 398 H LEU 58 H LEU 58 7.020 -4.468 -3.437 399 HA LEU 58 HA LEU 58 6.678 -6.900 -5.041 400 HB2 LEU 58 2HB LEU 58 9.118 -7.206 -5.241 401 HB3 LEU 58 1HB LEU 58 8.572 -5.756 -6.084 402 HG LEU 58 HG LEU 58 9.078 -4.807 -3.542 403 HD11 LEU 58 1HD1 LEU 58 10.116 -6.967 -2.923 404 HD12 LEU 58 2HD1 LEU 58 11.309 -5.669 -2.947 405 HD13 LEU 58 3HD1 LEU 58 11.229 -6.816 -4.284 406 HD21 LEU 58 1HD2 LEU 58 10.890 -4.946 -5.973 407 HD22 LEU 58 2HD2 LEU 58 11.148 -3.864 -4.603 408 HD23 LEU 58 3HD2 LEU 58 9.711 -3.686 -5.610 409 H GLN 59 H GLN 59 7.337 -8.814 -3.998 410 HA GLN 59 HA GLN 59 7.997 -8.577 -1.132 411 HB2 GLN 59 2HB GLN 59 6.411 -10.692 -0.983 412 HB3 GLN 59 1HB GLN 59 5.750 -9.061 -0.883 413 HG2 GLN 59 2HG GLN 59 4.959 -9.109 -3.092 414 HG3 GLN 59 1HG GLN 59 6.046 -10.420 -3.551 415 HE21 GLN 59 1HE2 GLN 59 4.455 -10.784 -0.481 416 HE22 GLN 59 2HE2 GLN 59 3.302 -11.923 -0.985 417 H TYR 60 H TYR 60 8.772 -10.697 -0.224 418 HA TYR 60 HA TYR 60 10.176 -12.288 -2.293 419 HB2 TYR 60 2HB TYR 60 11.342 -10.640 -0.361 420 HB3 TYR 60 1HB TYR 60 11.510 -12.275 0.281 421 HD1 TYR 60 1HD TYR 60 11.761 -10.537 -3.042 422 HD2 TYR 60 2HD TYR 60 13.425 -13.448 -0.353 423 HE1 TYR 60 1HE TYR 60 13.594 -10.977 -4.652 424 HE2 TYR 60 2HE TYR 60 15.257 -13.887 -1.965 425 HH TYR 60 HH TYR 60 15.754 -11.887 -4.773 426 H LYS 61 H LYS 61 10.578 -14.493 -1.773 427 HA LYS 61 HA LYS 61 8.595 -15.594 0.112 428 HB2 LYS 61 2HB LYS 61 9.323 -16.271 -2.548 429 HB3 LYS 61 1HB LYS 61 9.819 -17.609 -1.511 430 HG2 LYS 61 2HG LYS 61 7.559 -17.674 -0.513 431 HG3 LYS 61 1HG LYS 61 7.061 -16.347 -1.564 432 HD2 LYS 61 2HD LYS 61 7.390 -17.688 -3.540 433 HD3 LYS 61 1HD LYS 61 8.150 -18.976 -2.604 434 HE2 LYS 61 2HE LYS 61 5.800 -19.531 -3.128 435 HE3 LYS 61 1HE LYS 61 6.038 -19.351 -1.390 436 HZ1 LYS 61 1HZ LYS 61 4.957 -17.337 -1.357 437 HZ2 LYS 61 2HZ LYS 61 4.058 -18.177 -2.529 438 HZ3 LYS 61 3HZ LYS 61 5.220 -17.032 -3.005 439 H VAL 62 H VAL 62 9.545 -15.792 2.066 440 HA VAL 62 HA VAL 62 11.985 -17.441 2.210 441 HB VAL 62 HB VAL 62 11.487 -14.784 3.540 442 HG11 VAL 62 1HG1 VAL 62 13.679 -15.437 4.789 443 HG12 VAL 62 2HG1 VAL 62 13.201 -17.096 4.431 444 HG13 VAL 62 3HG1 VAL 62 12.148 -16.064 5.399 445 HG21 VAL 62 1HG2 VAL 62 12.872 -15.443 1.289 446 HG22 VAL 62 2HG2 VAL 62 14.136 -15.623 2.507 447 HG23 VAL 62 3HG2 VAL 62 13.295 -14.083 2.329 448 H THR 63 H THR 63 9.093 -16.177 3.791 449 HA THR 63 HA THR 63 8.960 -18.632 5.389 450 HB THR 63 HB THR 63 7.991 -16.675 7.109 451 HG1 THR 63 1HG THR 63 9.039 -15.175 5.637 452 HG21 THR 63 1HG2 THR 63 9.388 -18.659 7.683 453 HG22 THR 63 2HG2 THR 63 9.990 -17.184 8.434 454 HG23 THR 63 3HG2 THR 63 10.791 -17.836 7.008 455 HA PRO 64 HA PRO 64 4.667 -18.886 4.408 456 HB2 PRO 64 2HB PRO 64 3.998 -18.272 7.261 457 HB3 PRO 64 1HB PRO 64 3.397 -19.575 6.217 458 HG2 PRO 64 2HG PRO 64 5.246 -20.020 8.085 459 HG3 PRO 64 1HG PRO 64 5.257 -20.873 6.533 460 HD2 PRO 64 2HD PRO 64 7.075 -18.749 7.514 461 HD3 PRO 64 1HD PRO 64 7.361 -20.005 6.292 462 H ASP 65 H ASP 65 6.010 -16.069 5.798 463 HA ASP 65 HA ASP 65 4.619 -14.226 4.307 464 HB2 ASP 65 2HB ASP 65 3.122 -13.302 6.277 465 HB3 ASP 65 1HB ASP 65 2.513 -14.554 5.202 466 H LEU 66 H LEU 66 7.049 -13.920 4.704 467 HA LEU 66 HA LEU 66 7.341 -11.651 6.481 468 HB2 LEU 66 2HB LEU 66 8.083 -14.192 7.449 469 HB3 LEU 66 1HB LEU 66 9.586 -13.379 7.009 470 HG LEU 66 HG LEU 66 7.411 -12.200 8.762 471 HD11 LEU 66 1HD1 LEU 66 8.386 -13.502 10.342 472 HD12 LEU 66 2HD1 LEU 66 9.740 -12.376 10.237 473 HD13 LEU 66 3HD1 LEU 66 9.764 -13.875 9.306 474 HD21 LEU 66 1HD2 LEU 66 9.879 -10.852 9.038 475 HD22 LEU 66 2HD2 LEU 66 8.410 -10.235 8.286 476 HD23 LEU 66 3HD2 LEU 66 9.629 -11.048 7.304 477 H GLU 67 H GLU 67 8.055 -10.290 4.946 478 HA GLU 67 HA GLU 67 10.656 -10.710 3.801 479 HB2 GLU 67 2HB GLU 67 9.770 -10.496 1.416 480 HB3 GLU 67 1HB GLU 67 9.506 -12.055 2.201 481 HG2 GLU 67 2HG GLU 67 7.346 -10.188 2.779 482 HG3 GLU 67 1HG GLU 67 7.545 -10.423 1.046 483 HA PRO 68 HA PRO 68 10.438 -6.273 3.860 484 HB2 PRO 68 2HB PRO 68 12.127 -5.655 1.750 485 HB3 PRO 68 1HB PRO 68 12.674 -6.071 3.385 486 HG2 PRO 68 2HG PRO 68 12.559 -7.753 0.942 487 HG3 PRO 68 1HG PRO 68 13.753 -7.734 2.249 488 HD2 PRO 68 2HD PRO 68 11.839 -9.659 2.048 489 HD3 PRO 68 1HD PRO 68 12.489 -9.117 3.609 490 H TYR 69 H TYR 69 9.301 -4.602 2.835 491 HA TYR 69 HA TYR 69 7.989 -5.330 0.280 492 HB2 TYR 69 2HB TYR 69 6.628 -5.132 2.508 493 HB3 TYR 69 1HB TYR 69 6.784 -3.398 2.226 494 HD1 TYR 69 1HD TYR 69 5.713 -6.582 0.592 495 HD2 TYR 69 2HD TYR 69 5.402 -2.299 0.661 496 HE1 TYR 69 1HE TYR 69 3.892 -6.688 -1.089 497 HE2 TYR 69 2HE TYR 69 3.579 -2.405 -1.020 498 HH TYR 69 HH TYR 69 2.556 -5.514 -2.425 499 H ALA 70 H ALA 70 8.183 -3.983 -1.378 500 HA ALA 70 HA ALA 70 9.402 -1.326 -0.887 501 HB1 ALA 70 1HB ALA 70 9.537 -2.481 -3.605 502 HB2 ALA 70 2HB ALA 70 10.478 -3.327 -2.376 503 HB3 ALA 70 3HB ALA 70 10.765 -1.614 -2.683 504 H TRP 71 H TRP 71 8.571 0.452 -2.004 505 HA TRP 71 HA TRP 71 6.156 0.022 -3.626 506 HB2 TRP 71 2HB TRP 71 4.760 0.890 -2.106 507 HB3 TRP 71 1HB TRP 71 6.083 0.886 -0.941 508 HD1 TRP 71 HD TRP 71 7.190 3.150 -0.336 509 HE1 TRP 71 1HE TRP 71 6.705 5.602 -0.968 510 HE3 TRP 71 3HE TRP 71 3.857 2.439 -4.140 511 HZ2 TRP 71 2HZ TRP 71 5.115 7.068 -2.840 512 HZ3 TRP 71 3HZ TRP 71 2.874 4.378 -5.329 513 HH2 TRP 71 HH TRP 71 3.497 6.690 -4.684 514 H ALA 72 H ALA 72 5.985 1.388 -5.313 515 HA ALA 72 HA ALA 72 7.415 3.926 -5.333 516 HB1 ALA 72 1HB ALA 72 9.183 3.196 -6.498 517 HB2 ALA 72 2HB ALA 72 8.093 2.736 -7.804 518 HB3 ALA 72 3HB ALA 72 8.512 1.566 -6.553 519 H GLY 73 H GLY 73 6.249 5.409 -6.394 520 HA2 GLY 73 2HA GLY 73 4.854 5.020 -8.801 521 HA3 GLY 73 1HA GLY 73 3.709 4.838 -7.474 522 H ALA 74 H ALA 74 2.673 6.751 -8.407 523 HA ALA 74 HA ALA 74 3.842 9.203 -7.284 524 HB1 ALA 74 1HB ALA 74 2.515 9.370 -9.960 525 HB2 ALA 74 2HB ALA 74 4.198 8.852 -9.876 526 HB3 ALA 74 3HB ALA 74 3.728 10.430 -9.243 527 H THR 75 H THR 75 2.161 11.031 -7.423 528 HA THR 75 HA THR 75 -0.570 9.972 -7.054 529 HB THR 75 HB THR 75 -0.288 12.108 -5.254 530 HG1 THR 75 1HG THR 75 1.466 11.357 -3.997 531 HG21 THR 75 1HG2 THR 75 -0.633 10.315 -3.569 532 HG22 THR 75 2HG2 THR 75 -0.291 9.109 -4.811 533 HG23 THR 75 3HG2 THR 75 -1.714 10.142 -4.954 534 H TYR 76 H TYR 76 -1.921 10.990 -8.375 535 HA TYR 76 HA TYR 76 -1.178 13.620 -9.446 536 HB2 TYR 76 2HB TYR 76 -2.515 11.310 -10.494 537 HB3 TYR 76 1HB TYR 76 -3.603 12.696 -10.587 538 HD1 TYR 76 1HD TYR 76 -3.035 14.667 -11.917 539 HD2 TYR 76 2HD TYR 76 -0.381 11.298 -11.690 540 HE1 TYR 76 1HE TYR 76 -1.754 15.547 -13.849 541 HE2 TYR 76 2HE TYR 76 0.900 12.177 -13.623 542 HH TYR 76 HH TYR 76 0.832 13.672 -15.345 543 H ASN 77 H ASN 77 -1.916 15.343 -8.388 544 HA ASN 77 HA ASN 77 -4.322 15.145 -6.745 545 HB2 ASN 77 2HB ASN 77 -1.933 16.761 -6.749 546 HB3 ASN 77 1HB ASN 77 -3.363 17.791 -6.732 547 HD21 ASN 77 1HD2 ASN 77 -4.349 18.070 -4.718 548 HD22 ASN 77 2HD2 ASN 77 -4.077 17.080 -3.368 549 H THR 78 H THR 78 -6.138 16.478 -6.999 550 HA THR 78 HA THR 78 -7.207 16.779 -9.508 551 HB THR 78 HB THR 78 -8.528 16.983 -7.448 552 HG1 THR 78 1HG THR 78 -8.546 19.052 -9.347 553 HG21 THR 78 1HG2 THR 78 -7.449 19.786 -7.169 554 HG22 THR 78 2HG2 THR 78 -6.702 18.423 -6.334 555 HG23 THR 78 3HG2 THR 78 -8.380 18.848 -6.002 556 H ASP 79 H ASP 79 -4.750 18.670 -8.064 557 HA ASP 79 HA ASP 79 -5.192 21.061 -9.617 558 HB2 ASP 79 2HB ASP 79 -3.050 20.067 -7.771 559 HB3 ASP 79 1HB ASP 79 -2.710 21.435 -8.830 560 H ASN 80 H ASN 80 -4.809 18.302 -10.881 561 HA ASN 80 HA ASN 80 -3.757 17.378 -12.708 562 HB2 ASN 80 2HB ASN 80 -3.132 20.193 -13.569 563 HB3 ASN 80 1HB ASN 80 -3.552 18.802 -14.567 564 HD21 ASN 80 1HD2 ASN 80 -5.738 18.179 -12.414 565 HD22 ASN 80 2HD2 ASN 80 -7.002 19.228 -12.842 566 H THR 81 H THR 81 -2.144 17.953 -10.316 567 HA THR 81 HA THR 81 0.510 18.384 -11.553 568 HB THR 81 HB THR 81 -0.079 19.944 -9.723 569 HG1 THR 81 1HG THR 81 1.788 18.418 -8.446 570 HG21 THR 81 1HG2 THR 81 -0.046 17.517 -7.921 571 HG22 THR 81 2HG2 THR 81 -1.539 18.220 -8.544 572 HG23 THR 81 3HG2 THR 81 -0.484 19.173 -7.500 573 H LEU 82 H LEU 82 2.189 16.943 -11.132 574 HA LEU 82 HA LEU 82 1.307 14.271 -10.244 575 HB2 LEU 82 2HB LEU 82 3.565 13.643 -11.392 576 HB3 LEU 82 1HB LEU 82 2.167 14.027 -12.399 577 HG LEU 82 HG LEU 82 3.874 16.320 -11.583 578 HD11 LEU 82 1HD1 LEU 82 5.630 14.763 -12.118 579 HD12 LEU 82 2HD1 LEU 82 5.421 15.806 -13.525 580 HD13 LEU 82 3HD1 LEU 82 4.755 14.173 -13.531 581 HD21 LEU 82 1HD2 LEU 82 3.157 17.197 -13.643 582 HD22 LEU 82 2HD2 LEU 82 1.775 16.226 -13.140 583 HD23 LEU 82 3HD2 LEU 82 2.902 15.599 -14.343 584 H VAL 83 H VAL 83 2.550 13.079 -8.778 585 HA VAL 83 HA VAL 83 4.720 14.517 -7.393 586 HB VAL 83 HB VAL 83 2.469 13.082 -5.974 587 HG11 VAL 83 1HG1 VAL 83 4.790 14.782 -5.010 588 HG12 VAL 83 2HG1 VAL 83 4.596 13.046 -4.764 589 HG13 VAL 83 3HG1 VAL 83 3.491 14.177 -3.982 590 HG21 VAL 83 1HG2 VAL 83 1.452 15.046 -6.771 591 HG22 VAL 83 2HG2 VAL 83 2.945 15.979 -6.655 592 HG23 VAL 83 3HG2 VAL 83 2.062 15.544 -5.192 593 HA PRO 84 HA PRO 84 5.845 10.107 -8.101 594 HB2 PRO 84 2HB PRO 84 8.289 10.531 -9.201 595 HB3 PRO 84 1HB PRO 84 6.790 10.617 -10.144 596 HG2 PRO 84 2HG PRO 84 8.522 12.794 -9.144 597 HG3 PRO 84 1HG PRO 84 7.518 12.721 -10.600 598 HD2 PRO 84 2HD PRO 84 6.852 14.029 -8.192 599 HD3 PRO 84 1HD PRO 84 5.738 13.667 -9.529 600 H ALA 85 H ALA 85 6.905 8.852 -6.635 601 HA ALA 85 HA ALA 85 9.266 9.728 -5.246 602 HB1 ALA 85 1HB ALA 85 6.845 9.293 -3.506 603 HB2 ALA 85 2HB ALA 85 7.296 10.900 -4.078 604 HB3 ALA 85 3HB ALA 85 8.408 9.980 -3.062 605 H ALA 86 H ALA 86 9.684 8.088 -3.346 606 HA ALA 86 HA ALA 86 8.569 5.444 -3.832 607 HB1 ALA 86 1HB ALA 86 11.428 6.161 -4.473 608 HB2 ALA 86 2HB ALA 86 10.252 5.332 -5.495 609 HB3 ALA 86 3HB ALA 86 10.939 4.509 -4.095 610 H GLY 87 H GLY 87 9.326 3.863 -2.245 611 HA2 GLY 87 2HA GLY 87 10.882 4.751 0.017 612 HA3 GLY 87 1HA GLY 87 9.159 4.632 0.365 613 H ALA 88 H ALA 88 9.989 2.992 1.931 614 HA ALA 88 HA ALA 88 9.811 0.340 0.717 615 HB1 ALA 88 1HB ALA 88 11.946 0.605 2.759 616 HB2 ALA 88 2HB ALA 88 12.304 1.259 1.161 617 HB3 ALA 88 3HB ALA 88 11.865 -0.440 1.341 618 H GLY 89 H GLY 89 9.709 -1.366 2.503 619 HA2 GLY 89 2HA GLY 89 8.899 -0.504 5.128 620 HA3 GLY 89 1HA GLY 89 7.542 -1.021 4.131 621 H PHE 90 H PHE 90 7.303 -2.694 5.802 622 HA PHE 90 HA PHE 90 8.797 -5.093 5.048 623 HB2 PHE 90 2HB PHE 90 9.384 -3.657 7.417 624 HB3 PHE 90 1HB PHE 90 8.503 -5.105 7.902 625 HD1 PHE 90 1HD PHE 90 11.585 -3.794 6.447 626 HD2 PHE 90 2HD PHE 90 9.332 -7.361 7.257 627 HE1 PHE 90 1HE PHE 90 13.613 -5.163 6.052 628 HE2 PHE 90 2HE PHE 90 11.362 -8.731 6.863 629 HZ PHE 90 HZ PHE 90 13.501 -7.633 6.260 630 H ARG 91 H ARG 91 7.588 -6.922 5.139 631 HA ARG 91 HA ARG 91 4.788 -6.610 6.021 632 HB2 ARG 91 2HB ARG 91 6.133 -8.207 3.884 633 HB3 ARG 91 1HB ARG 91 4.667 -8.859 4.615 634 HG2 ARG 91 2HG ARG 91 4.661 -5.988 3.772 635 HG3 ARG 91 1HG ARG 91 4.540 -7.224 2.520 636 HD2 ARG 91 2HD ARG 91 2.749 -7.069 4.958 637 HD3 ARG 91 1HD ARG 91 2.309 -6.488 3.355 638 HE ARG 91 HE ARG 91 2.469 -9.263 4.210 639 HH11 ARG 91 1HH1 ARG 91 1.732 -10.772 2.680 640 HH12 ARG 91 2HH1 ARG 91 1.456 -10.274 1.045 641 HH21 ARG 91 1HH2 ARG 91 2.393 -6.983 1.609 642 HH22 ARG 91 2HH2 ARG 91 1.830 -8.129 0.439 643 H TYR 92 H TYR 92 4.501 -7.333 8.030 644 HA TYR 92 HA TYR 92 5.877 -9.822 8.850 645 HB2 TYR 92 2HB TYR 92 5.782 -7.304 10.103 646 HB3 TYR 92 1HB TYR 92 4.729 -8.355 11.050 647 HD1 TYR 92 1HD TYR 92 5.614 -10.554 11.909 648 HD2 TYR 92 2HD TYR 92 8.152 -7.590 10.114 649 HE1 TYR 92 1HE TYR 92 7.602 -11.656 12.900 650 HE2 TYR 92 2HE TYR 92 10.140 -8.692 11.107 651 HH TYR 92 HH TYR 92 10.015 -10.828 13.574 652 H LYS 93 H LYS 93 4.690 -11.375 10.023 653 HA LYS 93 HA LYS 93 1.837 -11.386 9.370 654 HB2 LYS 93 2HB LYS 93 1.900 -13.730 9.771 655 HB3 LYS 93 1HB LYS 93 3.394 -13.354 8.913 656 HG2 LYS 93 2HG LYS 93 4.379 -13.038 11.326 657 HG3 LYS 93 1HG LYS 93 2.997 -14.020 11.816 658 HD2 LYS 93 2HD LYS 93 3.682 -15.743 10.139 659 HD3 LYS 93 1HD LYS 93 5.122 -14.785 9.793 660 HE2 LYS 93 2HE LYS 93 5.010 -15.026 12.605 661 HE3 LYS 93 1HE LYS 93 4.659 -16.631 11.965 662 HZ1 LYS 93 1HZ LYS 93 6.924 -14.991 10.993 663 HZ2 LYS 93 2HZ LYS 93 6.654 -16.652 10.754 664 HZ3 LYS 93 3HZ LYS 93 7.075 -16.069 12.294 665 H VAL 94 H VAL 94 0.239 -11.231 10.841 666 HA VAL 94 HA VAL 94 0.946 -11.310 13.706 667 HB VAL 94 HB VAL 94 -0.956 -9.279 12.538 668 HG11 VAL 94 1HG1 VAL 94 -0.924 -8.320 14.682 669 HG12 VAL 94 2HG1 VAL 94 0.580 -9.126 15.124 670 HG13 VAL 94 3HG1 VAL 94 -0.920 -10.049 15.030 671 HG21 VAL 94 1HG2 VAL 94 2.024 -9.123 13.036 672 HG22 VAL 94 2HG2 VAL 94 1.006 -7.683 13.009 673 HG23 VAL 94 3HG2 VAL 94 1.142 -8.694 11.570 674 H SER 95 H SER 95 -1.859 -10.965 11.518 675 HA SER 95 HA SER 95 -3.364 -12.788 13.274 676 HB2 SER 95 2HB SER 95 -4.049 -10.389 11.901 677 HB3 SER 95 1HB SER 95 -4.995 -11.700 11.201 678 HG SER 95 HG SER 95 -6.118 -11.736 12.966 679 HA PRO 96 HA PRO 96 -3.367 -16.003 10.271 680 HB2 PRO 96 2HB PRO 96 -5.897 -17.012 10.441 681 HB3 PRO 96 1HB PRO 96 -4.680 -17.228 11.714 682 HG2 PRO 96 2HG PRO 96 -6.952 -15.309 11.573 683 HG3 PRO 96 1HG PRO 96 -6.335 -16.231 12.956 684 HD2 PRO 96 2HD PRO 96 -5.759 -13.581 12.549 685 HD3 PRO 96 1HD PRO 96 -4.677 -14.696 13.414 686 H GLU 97 H GLU 97 -6.413 -14.141 10.027 687 HA GLU 97 HA GLU 97 -6.395 -14.539 7.114 688 HB2 GLU 97 2HB GLU 97 -8.443 -14.846 8.790 689 HB3 GLU 97 1HB GLU 97 -8.618 -13.115 8.494 690 HG2 GLU 97 2HG GLU 97 -8.598 -13.553 6.049 691 HG3 GLU 97 1HG GLU 97 -8.499 -15.283 6.377 692 H VAL 98 H VAL 98 -5.215 -12.343 9.271 693 HA VAL 98 HA VAL 98 -5.375 -10.174 7.274 694 HB VAL 98 HB VAL 98 -5.332 -9.467 10.174 695 HG11 VAL 98 1HG1 VAL 98 -6.391 -7.473 9.380 696 HG12 VAL 98 2HG1 VAL 98 -6.794 -8.221 7.835 697 HG13 VAL 98 3HG1 VAL 98 -5.115 -7.841 8.221 698 HG21 VAL 98 1HG2 VAL 98 -7.159 -11.005 10.204 699 HG22 VAL 98 2HG2 VAL 98 -7.725 -10.474 8.620 700 HG23 VAL 98 3HG2 VAL 98 -7.891 -9.411 10.019 701 H LYS 99 H LYS 99 -3.534 -8.992 6.990 702 HA LYS 99 HA LYS 99 -1.168 -9.820 8.572 703 HB2 LYS 99 2HB LYS 99 -1.636 -9.719 5.690 704 HB3 LYS 99 1HB LYS 99 -0.196 -8.823 6.180 705 HG2 LYS 99 2HG LYS 99 0.323 -11.203 5.713 706 HG3 LYS 99 1HG LYS 99 0.637 -10.785 7.397 707 HD2 LYS 99 2HD LYS 99 -1.004 -12.155 8.170 708 HD3 LYS 99 1HD LYS 99 -2.114 -11.706 6.874 709 HE2 LYS 99 2HE LYS 99 -1.349 -14.119 6.815 710 HE3 LYS 99 1HE LYS 99 -1.044 -13.214 5.331 711 HZ1 LYS 99 1HZ LYS 99 1.162 -13.312 5.625 712 HZ2 LYS 99 2HZ LYS 99 0.812 -14.624 6.647 713 HZ3 LYS 99 3HZ LYS 99 1.068 -13.077 7.303 714 H LEU 100 H LEU 100 0.426 -8.214 8.972 715 HA LEU 100 HA LEU 100 -0.665 -5.469 8.945 716 HB2 LEU 100 2HB LEU 100 0.002 -6.686 11.135 717 HB3 LEU 100 1HB LEU 100 1.661 -6.376 10.621 718 HG LEU 100 HG LEU 100 0.716 -3.924 10.228 719 HD11 LEU 100 1HD1 LEU 100 -0.908 -4.639 12.640 720 HD12 LEU 100 2HD1 LEU 100 -1.590 -4.959 11.045 721 HD13 LEU 100 3HD1 LEU 100 -1.129 -3.317 11.494 722 HD21 LEU 100 1HD2 LEU 100 2.552 -4.420 11.735 723 HD22 LEU 100 2HD2 LEU 100 1.448 -5.139 12.908 724 HD23 LEU 100 3HD2 LEU 100 1.395 -3.404 12.597 725 H VAL 101 H VAL 101 0.596 -3.744 8.245 726 HA VAL 101 HA VAL 101 3.194 -4.379 7.013 727 HB VAL 101 HB VAL 101 1.309 -4.462 5.306 728 HG11 VAL 101 1HG1 VAL 101 0.360 -2.271 6.543 729 HG12 VAL 101 2HG1 VAL 101 0.051 -2.594 4.836 730 HG13 VAL 101 3HG1 VAL 101 1.337 -1.482 5.304 731 HG21 VAL 101 1HG2 VAL 101 3.703 -4.057 4.738 732 HG22 VAL 101 2HG2 VAL 101 3.433 -2.324 4.937 733 HG23 VAL 101 3HG2 VAL 101 2.606 -3.204 3.652 734 H VAL 102 H VAL 102 4.612 -2.613 6.835 735 HA VAL 102 HA VAL 102 3.764 -0.028 7.869 736 HB VAL 102 HB VAL 102 5.585 0.054 9.507 737 HG11 VAL 102 1HG1 VAL 102 4.594 -1.362 11.164 738 HG12 VAL 102 2HG1 VAL 102 4.007 -2.491 9.942 739 HG13 VAL 102 3HG1 VAL 102 3.286 -0.887 10.081 740 HG21 VAL 102 1HG2 VAL 102 6.236 -2.549 8.220 741 HG22 VAL 102 2HG2 VAL 102 6.477 -2.457 9.964 742 HG23 VAL 102 3HG2 VAL 102 7.315 -1.329 8.898 743 H GLU 103 H GLU 103 4.354 1.213 6.244 744 HA GLU 103 HA GLU 103 7.114 1.012 5.223 745 HB2 GLU 103 2HB GLU 103 6.382 1.320 2.956 746 HB3 GLU 103 1HB GLU 103 5.468 -0.030 3.631 747 HG2 GLU 103 2HG GLU 103 3.653 1.101 2.863 748 HG3 GLU 103 1HG GLU 103 3.870 2.084 4.310 749 H TYR 104 H TYR 104 8.002 2.959 4.413 750 HA TYR 104 HA TYR 104 6.533 5.413 5.167 751 HB2 TYR 104 2HB TYR 104 8.488 6.353 6.129 752 HB3 TYR 104 1HB TYR 104 8.393 4.715 6.777 753 HD1 TYR 104 1HD TYR 104 10.354 7.046 4.843 754 HD2 TYR 104 2HD TYR 104 9.739 2.870 5.639 755 HE1 TYR 104 1HE TYR 104 12.584 6.535 3.886 756 HE2 TYR 104 2HE TYR 104 11.970 2.358 4.683 757 HH TYR 104 HH TYR 104 14.324 4.565 4.234 758 H GLY 105 H GLY 105 6.527 6.999 3.675 759 HA2 GLY 105 2HA GLY 105 7.974 6.496 1.162 760 HA3 GLY 105 1HA GLY 105 6.580 7.553 1.353 761 H TRP 106 H TRP 106 9.134 8.178 0.116 762 HA TRP 106 HA TRP 106 9.645 10.674 1.478 763 HB2 TRP 106 2HB TRP 106 12.037 10.314 1.813 764 HB3 TRP 106 1HB TRP 106 11.116 9.117 2.724 765 HD1 TRP 106 HD TRP 106 11.111 6.613 1.831 766 HE1 TRP 106 1HE TRP 106 12.710 5.348 0.251 767 HE3 TRP 106 3HE TRP 106 13.576 10.559 -0.274 768 HZ2 TRP 106 2HZ TRP 106 14.760 5.934 -1.656 769 HZ3 TRP 106 3HZ TRP 106 15.345 10.178 -1.967 770 HH2 TRP 106 HH TRP 106 15.938 7.873 -2.660 771 H ASN 107 H ASN 107 11.154 12.048 0.240 772 HA ASN 107 HA ASN 107 11.518 11.205 -2.558 773 HB2 ASN 107 2HB ASN 107 9.462 12.431 -2.640 774 HB3 ASN 107 1HB ASN 107 10.112 13.708 -1.613 775 HD21 ASN 107 1HD2 ASN 107 10.349 12.272 -4.873 776 HD22 ASN 107 2HD2 ASN 107 11.084 13.625 -5.589 777 H ASN 108 H ASN 108 12.960 12.723 -3.754 778 HA ASN 108 HA ASN 108 15.435 13.003 -2.650 779 HB2 ASN 108 2HB ASN 108 14.048 14.146 -4.947 780 HB3 ASN 108 1HB ASN 108 15.292 15.221 -4.311 781 HD21 ASN 108 1HD2 ASN 108 14.834 12.655 -6.435 782 HD22 ASN 108 2HD2 ASN 108 16.428 12.072 -6.484 783 H SER 109 H SER 109 15.858 13.880 -0.713 784 HA SER 109 HA SER 109 15.785 15.353 1.074 785 HB2 SER 109 2HB SER 109 17.316 16.379 -0.728 786 HB3 SER 109 1HB SER 109 15.981 17.480 -1.052 787 HG SER 109 HG SER 109 17.649 18.078 0.601 788 H SER 110 H SER 110 13.612 15.032 1.727 789 HA SER 110 HA SER 110 12.029 17.398 1.748 790 HB2 SER 110 2HB SER 110 11.354 16.802 -0.471 791 HB3 SER 110 1HB SER 110 11.120 15.117 -0.014 792 HG SER 110 HG SER 110 9.666 17.369 0.934 793 H LEU 111 H LEU 111 10.115 17.171 3.070 794 HA LEU 111 HA LEU 111 10.428 15.756 5.398 795 HB2 LEU 111 2HB LEU 111 7.658 16.150 4.315 796 HB3 LEU 111 1HB LEU 111 8.257 16.377 5.958 797 HG LEU 111 HG LEU 111 9.774 18.212 4.693 798 HD11 LEU 111 1HD1 LEU 111 8.729 19.208 2.855 799 HD12 LEU 111 2HD1 LEU 111 7.155 18.519 3.249 800 HD13 LEU 111 3HD1 LEU 111 8.416 17.499 2.556 801 HD21 LEU 111 1HD2 LEU 111 7.794 19.825 5.253 802 HD22 LEU 111 2HD2 LEU 111 8.527 18.897 6.562 803 HD23 LEU 111 3HD2 LEU 111 6.999 18.369 5.854 804 H GLN 112 H GLN 112 9.679 13.805 6.231 805 HA GLN 112 HA GLN 112 9.008 11.768 4.198 806 HB2 GLN 112 2HB GLN 112 9.839 10.153 5.958 807 HB3 GLN 112 1HB GLN 112 11.070 11.225 5.286 808 HG2 GLN 112 2HG GLN 112 9.753 12.468 7.549 809 HG3 GLN 112 1HG GLN 112 10.425 10.904 8.001 810 HE21 GLN 112 1HE2 GLN 112 12.508 11.163 8.803 811 HE22 GLN 112 2HE2 GLN 112 13.651 12.269 8.211 812 H PHE 113 H PHE 113 7.696 9.907 5.115 813 HA PHE 113 HA PHE 113 5.812 10.686 7.213 814 HB2 PHE 113 2HB PHE 113 4.274 9.612 5.048 815 HB3 PHE 113 1HB PHE 113 4.113 11.180 5.842 816 HD1 PHE 113 1HD PHE 113 5.004 13.181 4.859 817 HD2 PHE 113 2HD PHE 113 5.815 9.346 3.102 818 HE1 PHE 113 1HE PHE 113 5.915 14.300 2.840 819 HE2 PHE 113 2HE PHE 113 6.724 10.464 1.083 820 HZ PHE 113 HZ PHE 113 6.775 12.940 0.952 821 H LEU 114 H LEU 114 4.409 8.891 7.862 822 HA LEU 114 HA LEU 114 5.397 6.233 7.049 823 HB2 LEU 114 2HB LEU 114 6.587 6.828 9.110 824 HB3 LEU 114 1HB LEU 114 5.052 7.173 9.908 825 HG LEU 114 HG LEU 114 5.120 4.527 8.641 826 HD11 LEU 114 1HD1 LEU 114 6.576 3.581 10.488 827 HD12 LEU 114 2HD1 LEU 114 7.084 5.234 10.837 828 HD13 LEU 114 3HD1 LEU 114 7.444 4.514 9.269 829 HD21 LEU 114 1HD2 LEU 114 4.037 3.893 10.676 830 HD22 LEU 114 2HD2 LEU 114 3.438 5.510 10.303 831 HD23 LEU 114 3HD2 LEU 114 4.679 5.292 11.536 832 H GLN 115 H GLN 115 3.861 4.611 7.081 833 HA GLN 115 HA GLN 115 1.178 5.295 8.080 834 HB2 GLN 115 2HB GLN 115 0.572 3.919 5.800 835 HB3 GLN 115 1HB GLN 115 0.550 5.678 5.939 836 HG2 GLN 115 2HG GLN 115 2.791 5.851 5.072 837 HG3 GLN 115 1HG GLN 115 3.008 4.103 5.142 838 HE21 GLN 115 1HE2 GLN 115 3.435 5.224 2.666 839 HE22 GLN 115 2HE2 GLN 115 2.132 4.899 1.625 840 H ALA 116 H ALA 116 0.041 3.619 8.906 841 HA ALA 116 HA ALA 116 1.207 0.912 8.682 842 HB1 ALA 116 1HB ALA 116 -0.136 1.583 11.227 843 HB2 ALA 116 2HB ALA 116 1.406 2.395 10.955 844 HB3 ALA 116 3HB ALA 116 1.322 0.633 10.936 845 H GLY 117 H GLY 117 -0.236 -0.669 8.255 846 HA2 GLY 117 2HA GLY 117 -3.033 -0.424 8.928 847 HA3 GLY 117 1HA GLY 117 -2.713 -0.257 7.207 848 H LEU 118 H LEU 118 -4.070 -2.202 7.058 849 HA LEU 118 HA LEU 118 -2.394 -4.605 7.199 850 HB2 LEU 118 2HB LEU 118 -4.938 -5.521 7.914 851 HB3 LEU 118 1HB LEU 118 -3.520 -5.431 8.956 852 HG LEU 118 HG LEU 118 -4.134 -3.129 9.606 853 HD11 LEU 118 1HD1 LEU 118 -6.812 -2.949 8.755 854 HD12 LEU 118 2HD1 LEU 118 -5.903 -3.428 7.323 855 HD13 LEU 118 3HD1 LEU 118 -5.459 -1.964 8.200 856 HD21 LEU 118 1HD2 LEU 118 -5.114 -5.295 10.684 857 HD22 LEU 118 2HD2 LEU 118 -6.621 -4.803 9.913 858 HD23 LEU 118 3HD2 LEU 118 -5.849 -3.745 11.093 859 H SER 119 H SER 119 -3.484 -6.459 6.031 860 HA SER 119 HA SER 119 -5.077 -5.449 3.747 861 HB2 SER 119 2HB SER 119 -3.854 -7.350 2.483 862 HB3 SER 119 1HB SER 119 -2.976 -5.856 2.793 863 HG SER 119 HG SER 119 -1.675 -6.914 4.059 864 H TYR 120 H TYR 120 -6.654 -6.817 2.917 865 HA TYR 120 HA TYR 120 -7.139 -9.346 4.348 866 HB2 TYR 120 2HB TYR 120 -8.498 -7.384 5.291 867 HB3 TYR 120 1HB TYR 120 -9.370 -7.406 3.759 868 HD1 TYR 120 1HD TYR 120 -10.775 -9.313 3.128 869 HD2 TYR 120 2HD TYR 120 -8.689 -9.224 6.881 870 HE1 TYR 120 1HE TYR 120 -12.166 -11.197 3.948 871 HE2 TYR 120 2HE TYR 120 -10.079 -11.105 7.701 872 HH TYR 120 HH TYR 120 -12.571 -11.982 7.015 873 H ARG 121 H ARG 121 -8.285 -10.900 3.162 874 HA ARG 121 HA ARG 121 -8.253 -10.435 0.261 875 HB2 ARG 121 2HB ARG 121 -8.599 -13.025 1.789 876 HB3 ARG 121 1HB ARG 121 -8.334 -12.855 0.053 877 HG2 ARG 121 2HG ARG 121 -6.173 -11.613 0.665 878 HG3 ARG 121 1HG ARG 121 -6.411 -12.236 2.299 879 HD2 ARG 121 2HD ARG 121 -6.785 -14.503 0.834 880 HD3 ARG 121 1HD ARG 121 -5.605 -13.658 -0.167 881 HE ARG 121 HE ARG 121 -4.019 -13.968 1.516 882 HH11 ARG 121 1HH1 ARG 121 -3.320 -14.882 3.475 883 HH12 ARG 121 2HH1 ARG 121 -4.484 -15.498 4.600 884 HH21 ARG 121 1HH2 ARG 121 -7.217 -14.695 2.622 885 HH22 ARG 121 2HH2 ARG 121 -6.690 -15.393 4.118 886 H ILE 122 H ILE 122 -10.055 -10.494 -0.987 887 HA ILE 122 HA ILE 122 -12.619 -10.337 0.359 888 HB ILE 122 HB ILE 122 -11.805 -10.072 -2.542 889 HG12 ILE 122 2HG1 ILE 122 -12.967 -7.971 -0.712 890 HG13 ILE 122 1HG1 ILE 122 -11.233 -8.294 -0.740 891 HG21 ILE 122 1HG2 ILE 122 -14.265 -9.014 -2.484 892 HG22 ILE 122 2HG2 ILE 122 -14.473 -10.214 -1.209 893 HG23 ILE 122 3HG2 ILE 122 -13.999 -10.723 -2.830 894 HD11 ILE 122 1HD1 ILE 122 -12.386 -6.499 -2.383 895 HD12 ILE 122 2HD1 ILE 122 -12.572 -7.944 -3.376 896 HD13 ILE 122 3HD1 ILE 122 -10.966 -7.433 -2.854 897 H GLN 123 H GLN 123 -11.355 -12.270 -2.367 898 HA GLN 123 HA GLN 123 -13.313 -14.372 -1.679 899 HB2 GLN 123 2HB GLN 123 -12.266 -13.302 -4.229 900 HB3 GLN 123 1HB GLN 123 -12.437 -15.056 -4.157 901 HG2 GLN 123 2HG GLN 123 -14.761 -14.913 -3.667 902 HG3 GLN 123 1HG GLN 123 -14.652 -13.196 -3.283 903 HE21 GLN 123 1HE2 GLN 123 -13.151 -12.275 -5.516 904 HE22 GLN 123 2HE2 GLN 123 -14.073 -12.501 -6.923 905 HA PRO 124 HA PRO 124 -9.992 -17.089 -0.634 906 HB2 PRO 124 2HB PRO 124 -10.921 -19.509 -1.529 907 HB3 PRO 124 1HB PRO 124 -11.533 -18.701 -0.074 908 HG2 PRO 124 2HG PRO 124 -12.707 -18.831 -2.802 909 HG3 PRO 124 1HG PRO 124 -13.506 -18.893 -1.221 910 HD2 PRO 124 2HD PRO 124 -13.452 -16.638 -2.775 911 HD3 PRO 124 1HD PRO 124 -13.552 -16.595 -1.001 Start of MODEL 18 1 H1 MET 1 1HT MET 1 -0.738 -22.522 -6.961 2 H2 MET 1 2HT MET 1 -0.372 -24.146 -7.296 3 H3 MET 1 3HT MET 1 -1.145 -23.729 -5.841 4 HA MET 1 HA MET 1 -2.320 -23.337 -8.538 5 HB2 MET 1 2HB MET 1 -2.150 -25.706 -8.141 6 HB3 MET 1 1HB MET 1 -2.690 -25.522 -6.471 7 HG2 MET 1 2HG MET 1 -4.892 -25.277 -7.065 8 HG3 MET 1 1HG MET 1 -4.502 -24.463 -8.580 9 HE1 MET 1 1HE MET 1 -6.530 -27.021 -7.645 10 HE2 MET 1 2HE MET 1 -5.192 -27.653 -6.690 11 HE3 MET 1 3HE MET 1 -5.853 -28.612 -8.011 12 H GLN 2 H GLN 2 -2.380 -22.968 -5.073 13 HA GLN 2 HA GLN 2 -5.121 -22.116 -4.898 14 HB2 GLN 2 2HB GLN 2 -3.170 -21.274 -2.824 15 HB3 GLN 2 1HB GLN 2 -4.762 -22.012 -2.643 16 HG2 GLN 2 2HG GLN 2 -3.698 -24.142 -3.612 17 HG3 GLN 2 1HG GLN 2 -2.146 -23.363 -3.315 18 HE21 GLN 2 1HE2 GLN 2 -2.771 -25.723 -1.905 19 HE22 GLN 2 2HE2 GLN 2 -3.044 -25.344 -0.272 20 H ASP 3 H ASP 3 -5.892 -20.009 -4.561 21 HA ASP 3 HA ASP 3 -6.057 -17.811 -5.272 22 HB2 ASP 3 2HB ASP 3 -5.162 -17.304 -3.164 23 HB3 ASP 3 1HB ASP 3 -3.575 -17.948 -3.581 24 H GLY 4 H GLY 4 -5.887 -18.044 -7.523 25 HA2 GLY 4 2HA GLY 4 -3.200 -17.737 -8.694 26 HA3 GLY 4 1HA GLY 4 -4.637 -18.281 -9.555 27 HA PRO 5 HA PRO 5 -3.615 -13.746 -10.498 28 HB2 PRO 5 2HB PRO 5 -4.606 -14.793 -13.112 29 HB3 PRO 5 1HB PRO 5 -3.243 -13.710 -12.772 30 HG2 PRO 5 2HG PRO 5 -2.882 -16.279 -13.410 31 HG3 PRO 5 1HG PRO 5 -1.822 -15.431 -12.272 32 HD2 PRO 5 2HD PRO 5 -3.904 -17.487 -11.722 33 HD3 PRO 5 1HD PRO 5 -2.429 -17.099 -10.810 34 H GLY 6 H GLY 6 -5.141 -12.090 -10.824 35 HA2 GLY 6 2HA GLY 6 -7.265 -11.175 -11.270 36 HA3 GLY 6 1HA GLY 6 -7.928 -12.805 -11.347 37 H THR 7 H THR 7 -5.880 -12.313 -8.684 38 HA THR 7 HA THR 7 -8.017 -12.668 -6.814 39 HB THR 7 HB THR 7 -5.412 -11.701 -5.805 40 HG1 THR 7 1HG THR 7 -5.129 -13.046 -7.825 41 HG21 THR 7 1HG2 THR 7 -5.752 -13.412 -4.204 42 HG22 THR 7 2HG2 THR 7 -6.847 -14.299 -5.264 43 HG23 THR 7 3HG2 THR 7 -7.368 -12.784 -4.528 44 H LEU 8 H LEU 8 -8.530 -11.220 -5.048 45 HA LEU 8 HA LEU 8 -7.883 -8.390 -5.464 46 HB2 LEU 8 2HB LEU 8 -10.041 -9.008 -6.694 47 HB3 LEU 8 1HB LEU 8 -10.748 -9.263 -5.099 48 HG LEU 8 HG LEU 8 -9.661 -6.865 -4.646 49 HD11 LEU 8 1HD1 LEU 8 -9.455 -5.493 -6.520 50 HD12 LEU 8 2HD1 LEU 8 -10.490 -6.522 -7.513 51 HD13 LEU 8 3HD1 LEU 8 -8.840 -7.023 -7.146 52 HD21 LEU 8 1HD2 LEU 8 -12.275 -7.651 -5.906 53 HD22 LEU 8 2HD2 LEU 8 -11.922 -5.943 -5.641 54 HD23 LEU 8 3HD2 LEU 8 -11.959 -7.057 -4.275 55 H ASP 9 H ASP 9 -7.375 -7.490 -3.577 56 HA ASP 9 HA ASP 9 -8.663 -8.488 -1.120 57 HB2 ASP 9 2HB ASP 9 -5.979 -7.749 -0.512 58 HB3 ASP 9 1HB ASP 9 -6.746 -9.325 -0.332 59 H VAL 10 H VAL 10 -8.910 -6.968 0.518 60 HA VAL 10 HA VAL 10 -8.525 -4.170 -0.338 61 HB VAL 10 HB VAL 10 -10.413 -5.398 1.683 62 HG11 VAL 10 1HG1 VAL 10 -10.135 -3.337 2.657 63 HG12 VAL 10 2HG1 VAL 10 -11.267 -2.856 1.394 64 HG13 VAL 10 3HG1 VAL 10 -9.537 -2.601 1.171 65 HG21 VAL 10 1HG2 VAL 10 -10.637 -5.271 -1.045 66 HG22 VAL 10 2HG2 VAL 10 -11.388 -3.749 -0.566 67 HG23 VAL 10 3HG2 VAL 10 -12.011 -5.274 0.061 68 H PHE 11 H PHE 11 -7.466 -2.708 0.970 69 HA PHE 11 HA PHE 11 -6.539 -3.529 3.607 70 HB2 PHE 11 2HB PHE 11 -4.254 -3.525 3.172 71 HB3 PHE 11 1HB PHE 11 -4.894 -4.320 1.733 72 HD1 PHE 11 1HD PHE 11 -2.999 -1.541 2.986 73 HD2 PHE 11 2HD PHE 11 -5.412 -2.847 -0.320 74 HE1 PHE 11 1HE PHE 11 -2.023 0.244 1.567 75 HE2 PHE 11 2HE PHE 11 -4.435 -1.062 -1.737 76 HZ PHE 11 HZ PHE 11 -2.742 0.483 -0.794 77 H VAL 12 H VAL 12 -6.082 -1.833 4.936 78 HA VAL 12 HA VAL 12 -6.523 0.867 3.811 79 HB VAL 12 HB VAL 12 -6.957 -0.201 6.611 80 HG11 VAL 12 1HG1 VAL 12 -7.985 2.140 6.897 81 HG12 VAL 12 2HG1 VAL 12 -7.091 2.583 5.442 82 HG13 VAL 12 3HG1 VAL 12 -6.224 2.045 6.881 83 HG21 VAL 12 1HG2 VAL 12 -9.301 0.179 6.149 84 HG22 VAL 12 2HG2 VAL 12 -8.646 -0.787 4.827 85 HG23 VAL 12 3HG2 VAL 12 -8.923 0.940 4.604 86 H ALA 13 H ALA 13 -5.201 2.598 4.611 87 HA ALA 13 HA ALA 13 -2.892 1.977 6.229 88 HB1 ALA 13 1HB ALA 13 -1.761 3.247 3.979 89 HB2 ALA 13 2HB ALA 13 -2.732 1.916 3.351 90 HB3 ALA 13 3HB ALA 13 -1.468 1.600 4.538 91 H ALA 14 H ALA 14 -2.966 3.599 7.586 92 HA ALA 14 HA ALA 14 -3.759 6.277 6.660 93 HB1 ALA 14 1HB ALA 14 -3.390 5.321 9.507 94 HB2 ALA 14 2HB ALA 14 -4.923 5.237 8.638 95 HB3 ALA 14 3HB ALA 14 -4.182 6.802 8.970 96 H GLY 15 H GLY 15 -2.270 7.808 6.375 97 HA2 GLY 15 2HA GLY 15 0.476 7.296 7.285 98 HA3 GLY 15 1HA GLY 15 -0.008 8.460 6.056 99 H TRP 16 H TRP 16 1.737 9.202 8.040 100 HA TRP 16 HA TRP 16 0.193 11.287 9.387 101 HB2 TRP 16 2HB TRP 16 1.548 9.038 10.761 102 HB3 TRP 16 1HB TRP 16 1.836 10.643 11.435 103 HD1 TRP 16 HD TRP 16 -0.531 12.137 11.799 104 HE1 TRP 16 1HE TRP 16 -2.764 11.306 12.785 105 HE3 TRP 16 3HE TRP 16 0.028 7.104 11.132 106 HZ2 TRP 16 2HZ TRP 16 -4.132 8.834 13.231 107 HZ3 TRP 16 3HZ TRP 16 -1.754 5.536 11.846 108 HH2 TRP 16 HH TRP 16 -3.830 6.394 12.894 109 H ASN 17 H ASN 17 1.199 13.158 9.043 110 HA ASN 17 HA ASN 17 4.009 13.139 8.215 111 HB2 ASN 17 2HB ASN 17 2.339 15.620 8.351 112 HB3 ASN 17 1HB ASN 17 3.611 15.188 7.210 113 HD21 ASN 17 1HD2 ASN 17 3.020 13.247 5.721 114 HD22 ASN 17 2HD2 ASN 17 1.408 13.153 5.194 115 H THR 18 H THR 18 5.626 14.281 9.257 116 HA THR 18 HA THR 18 5.618 14.382 12.035 117 HB THR 18 HB THR 18 7.504 16.237 11.441 118 HG1 THR 18 1HG THR 18 7.372 16.393 9.327 119 HG21 THR 18 1HG2 THR 18 7.927 14.114 12.556 120 HG22 THR 18 2HG2 THR 18 9.055 14.294 11.213 121 HG23 THR 18 3HG2 THR 18 7.652 13.237 11.050 122 H ASP 19 H ASP 19 4.136 16.499 9.822 123 HA ASP 19 HA ASP 19 4.224 18.879 11.438 124 HB2 ASP 19 2HB ASP 19 2.462 18.114 9.099 125 HB3 ASP 19 1HB ASP 19 2.521 19.715 9.834 126 H ASN 20 H ASN 20 2.927 16.075 12.195 127 HA ASN 20 HA ASN 20 1.325 15.444 13.722 128 HB2 ASN 20 2HB ASN 20 0.367 18.255 14.046 129 HB3 ASN 20 1HB ASN 20 0.574 16.993 15.260 130 HD21 ASN 20 1HD2 ASN 20 1.761 19.894 14.806 131 HD22 ASN 20 2HD2 ASN 20 3.412 19.660 15.125 132 H THR 21 H THR 21 0.814 15.752 10.844 133 HA THR 21 HA THR 21 -2.088 16.309 10.853 134 HB THR 21 HB THR 21 -0.106 16.189 8.570 135 HG1 THR 21 1HG THR 21 0.099 18.180 9.180 136 HG21 THR 21 1HG2 THR 21 -3.090 16.256 8.685 137 HG22 THR 21 2HG2 THR 21 -2.029 15.477 7.511 138 HG23 THR 21 3HG2 THR 21 -2.288 17.220 7.444 139 H ILE 22 H ILE 22 -3.536 14.778 10.146 140 HA ILE 22 HA ILE 22 -2.477 12.036 9.939 141 HB ILE 22 HB ILE 22 -4.154 12.477 11.707 142 HG12 ILE 22 2HG1 ILE 22 -5.284 10.778 9.463 143 HG13 ILE 22 1HG1 ILE 22 -3.977 10.255 10.526 144 HG21 ILE 22 1HG2 ILE 22 -6.323 12.745 9.694 145 HG22 ILE 22 2HG2 ILE 22 -5.311 14.168 9.939 146 HG23 ILE 22 3HG2 ILE 22 -6.181 13.462 11.300 147 HD11 ILE 22 1HD1 ILE 22 -5.520 10.732 12.482 148 HD12 ILE 22 2HD1 ILE 22 -6.018 9.387 11.455 149 HD13 ILE 22 3HD1 ILE 22 -6.818 10.951 11.307 150 H GLU 23 H GLU 23 -3.005 10.696 8.231 151 HA GLU 23 HA GLU 23 -4.584 11.854 6.029 152 HB2 GLU 23 2HB GLU 23 -1.720 11.292 6.032 153 HB3 GLU 23 1HB GLU 23 -2.575 10.439 4.744 154 HG2 GLU 23 2HG GLU 23 -3.500 12.480 3.888 155 HG3 GLU 23 1HG GLU 23 -2.956 13.390 5.297 156 H ILE 24 H ILE 24 -6.090 10.474 5.365 157 HA ILE 24 HA ILE 24 -5.844 7.642 6.121 158 HB ILE 24 HB ILE 24 -8.247 9.176 5.098 159 HG12 ILE 24 2HG1 ILE 24 -8.724 8.444 7.716 160 HG13 ILE 24 1HG1 ILE 24 -7.013 8.873 7.756 161 HG21 ILE 24 1HG2 ILE 24 -9.417 7.141 6.130 162 HG22 ILE 24 2HG2 ILE 24 -7.831 6.371 6.151 163 HG23 ILE 24 3HG2 ILE 24 -8.554 6.861 4.618 164 HD11 ILE 24 1HD1 ILE 24 -9.278 10.607 6.722 165 HD12 ILE 24 2HD1 ILE 24 -7.568 11.030 6.627 166 HD13 ILE 24 3HD1 ILE 24 -8.350 10.867 8.200 167 H THR 25 H THR 25 -5.500 6.093 4.651 168 HA THR 25 HA THR 25 -6.068 6.644 1.819 169 HB THR 25 HB THR 25 -3.628 5.143 2.020 170 HG1 THR 25 1HG THR 25 -3.625 6.494 4.021 171 HG21 THR 25 1HG2 THR 25 -4.216 7.924 0.970 172 HG22 THR 25 2HG2 THR 25 -4.442 6.428 0.064 173 HG23 THR 25 3HG2 THR 25 -2.822 6.931 0.547 174 H GLY 26 H GLY 26 -7.004 4.967 0.819 175 HA2 GLY 26 2HA GLY 26 -6.543 2.234 1.734 176 HA3 GLY 26 1HA GLY 26 -8.189 2.837 1.900 177 H GLY 27 H GLY 27 -7.646 0.647 0.302 178 HA2 GLY 27 2HA GLY 27 -8.953 1.220 -2.075 179 HA3 GLY 27 1HA GLY 27 -7.232 1.305 -2.438 180 H ALA 28 H ALA 28 -7.296 -0.519 -3.785 181 HA ALA 28 HA ALA 28 -7.402 -3.073 -2.322 182 HB1 ALA 28 1HB ALA 28 -8.377 -3.302 -5.063 183 HB2 ALA 28 2HB ALA 28 -9.411 -2.284 -4.062 184 HB3 ALA 28 3HB ALA 28 -9.062 -3.941 -3.568 185 H THR 29 H THR 29 -6.456 -4.868 -3.727 186 HA THR 29 HA THR 29 -4.324 -3.852 -5.494 187 HB THR 29 HB THR 29 -2.642 -4.652 -4.216 188 HG1 THR 29 1HG THR 29 -2.705 -6.742 -4.268 189 HG21 THR 29 1HG2 THR 29 -4.078 -3.422 -2.576 190 HG22 THR 29 2HG2 THR 29 -3.092 -4.679 -1.828 191 HG23 THR 29 3HG2 THR 29 -4.809 -4.961 -2.120 192 H TYR 30 H TYR 30 -3.880 -5.121 -7.233 193 HA TYR 30 HA TYR 30 -5.560 -7.525 -7.565 194 HB2 TYR 30 2HB TYR 30 -4.772 -5.334 -9.322 195 HB3 TYR 30 1HB TYR 30 -4.470 -6.915 -10.041 196 HD1 TYR 30 1HD TYR 30 -6.910 -4.420 -9.563 197 HD2 TYR 30 2HD TYR 30 -6.428 -8.689 -9.642 198 HE1 TYR 30 1HE TYR 30 -9.332 -4.686 -10.021 199 HE2 TYR 30 2HE TYR 30 -8.850 -8.953 -10.102 200 HH TYR 30 HH TYR 30 -10.921 -7.714 -9.815 201 H GLN 31 H GLN 31 -4.579 -9.426 -7.381 202 HA GLN 31 HA GLN 31 -1.658 -9.567 -7.662 203 HB2 GLN 31 2HB GLN 31 -3.146 -10.545 -5.690 204 HB3 GLN 31 1HB GLN 31 -3.295 -11.908 -6.799 205 HG2 GLN 31 2HG GLN 31 -0.696 -10.681 -5.836 206 HG3 GLN 31 1HG GLN 31 -1.364 -12.225 -5.315 207 HE21 GLN 31 1HE2 GLN 31 0.024 -10.529 -8.133 208 HE22 GLN 31 2HE2 GLN 31 0.421 -11.941 -8.987 209 H LEU 32 H LEU 32 -1.087 -9.860 -9.739 210 HA LEU 32 HA LEU 32 -2.613 -11.773 -11.380 211 HB2 LEU 32 2HB LEU 32 -0.878 -9.419 -11.973 212 HB3 LEU 32 1HB LEU 32 -0.926 -10.728 -13.155 213 HG LEU 32 HG LEU 32 -3.375 -10.578 -13.251 214 HD11 LEU 32 1HD1 LEU 32 -4.358 -8.473 -12.085 215 HD12 LEU 32 2HD1 LEU 32 -2.911 -8.540 -11.079 216 HD13 LEU 32 3HD1 LEU 32 -4.038 -9.896 -11.094 217 HD21 LEU 32 1HD2 LEU 32 -2.230 -9.188 -14.839 218 HD22 LEU 32 2HD2 LEU 32 -1.856 -7.982 -13.608 219 HD23 LEU 32 3HD2 LEU 32 -3.519 -8.197 -14.153 220 H SER 33 H SER 33 0.788 -10.866 -10.767 221 HA SER 33 HA SER 33 1.491 -13.714 -10.749 222 HB2 SER 33 2HB SER 33 3.582 -12.389 -12.126 223 HB3 SER 33 1HB SER 33 2.496 -13.629 -12.747 224 HG SER 33 HG SER 33 1.547 -12.131 -13.859 225 HA PRO 34 HA PRO 34 4.180 -12.544 -7.472 226 HB2 PRO 34 2HB PRO 34 6.376 -14.130 -7.876 227 HB3 PRO 34 1HB PRO 34 4.824 -14.743 -7.271 228 HG2 PRO 34 2HG PRO 34 5.974 -14.873 -10.011 229 HG3 PRO 34 1HG PRO 34 5.037 -16.083 -9.119 230 HD2 PRO 34 2HD PRO 34 3.948 -14.491 -11.066 231 HD3 PRO 34 1HD PRO 34 3.010 -15.146 -9.706 232 H TYR 35 H TYR 35 5.021 -11.904 -10.675 233 HA TYR 35 HA TYR 35 7.650 -10.859 -10.353 234 HB2 TYR 35 2HB TYR 35 5.677 -11.066 -12.462 235 HB3 TYR 35 1HB TYR 35 6.438 -9.475 -12.467 236 HD1 TYR 35 1HD TYR 35 8.730 -9.189 -13.087 237 HD2 TYR 35 2HD TYR 35 7.103 -13.130 -12.562 238 HE1 TYR 35 1HE TYR 35 10.772 -10.167 -14.097 239 HE2 TYR 35 2HE TYR 35 9.146 -14.108 -13.572 240 HH TYR 35 HH TYR 35 11.269 -13.671 -14.213 241 H ILE 36 H ILE 36 4.714 -8.991 -11.123 242 HA ILE 36 HA ILE 36 5.543 -6.972 -9.134 243 HB ILE 36 HB ILE 36 4.716 -6.469 -12.001 244 HG12 ILE 36 2HG1 ILE 36 7.204 -5.602 -10.505 245 HG13 ILE 36 1HG1 ILE 36 7.128 -7.087 -11.455 246 HG21 ILE 36 1HG2 ILE 36 3.737 -4.622 -11.093 247 HG22 ILE 36 2HG2 ILE 36 5.396 -4.040 -10.956 248 HG23 ILE 36 3HG2 ILE 36 4.607 -4.791 -9.569 249 HD11 ILE 36 1HD1 ILE 36 6.411 -4.378 -12.597 250 HD12 ILE 36 2HD1 ILE 36 6.700 -5.878 -13.478 251 HD13 ILE 36 3HD1 ILE 36 8.039 -5.050 -12.684 252 H MET 37 H MET 37 3.905 -6.048 -7.995 253 HA MET 37 HA MET 37 1.203 -7.109 -8.501 254 HB2 MET 37 2HB MET 37 2.430 -7.361 -6.236 255 HB3 MET 37 1HB MET 37 2.061 -5.650 -6.013 256 HG2 MET 37 2HG MET 37 -0.355 -6.185 -6.483 257 HG3 MET 37 1HG MET 37 0.078 -7.894 -6.475 258 HE1 MET 37 1HE MET 37 2.397 -7.864 -3.879 259 HE2 MET 37 2HE MET 37 1.399 -8.950 -4.840 260 HE3 MET 37 3HE MET 37 1.126 -8.820 -3.106 261 H VAL 38 H VAL 38 -0.621 -5.717 -8.395 262 HA VAL 38 HA VAL 38 0.002 -2.926 -9.141 263 HB VAL 38 HB VAL 38 -2.521 -4.509 -9.682 264 HG11 VAL 38 1HG1 VAL 38 -2.017 -2.323 -11.469 265 HG12 VAL 38 2HG1 VAL 38 -1.901 -1.730 -9.812 266 HG13 VAL 38 3HG1 VAL 38 -3.370 -2.539 -10.359 267 HG21 VAL 38 1HG2 VAL 38 -1.568 -4.400 -12.076 268 HG22 VAL 38 2HG2 VAL 38 -0.821 -5.554 -10.971 269 HG23 VAL 38 3HG2 VAL 38 -0.024 -4.019 -11.313 270 H LYS 39 H LYS 39 -0.849 -1.253 -8.008 271 HA LYS 39 HA LYS 39 -2.891 -1.808 -5.969 272 HB2 LYS 39 2HB LYS 39 -0.109 -0.822 -5.483 273 HB3 LYS 39 1HB LYS 39 -1.420 -0.203 -4.480 274 HG2 LYS 39 2HG LYS 39 -2.006 -2.397 -3.727 275 HG3 LYS 39 1HG LYS 39 -0.981 -3.160 -4.943 276 HD2 LYS 39 2HD LYS 39 0.091 -3.179 -2.709 277 HD3 LYS 39 1HD LYS 39 1.020 -2.223 -3.864 278 HE2 LYS 39 2HE LYS 39 0.336 -0.181 -2.922 279 HE3 LYS 39 1HE LYS 39 -1.060 -0.910 -2.128 280 HZ1 LYS 39 1HZ LYS 39 0.409 -2.079 -0.639 281 HZ2 LYS 39 2HZ LYS 39 0.748 -0.416 -0.575 282 HZ3 LYS 39 3HZ LYS 39 1.775 -1.462 -1.433 283 H ALA 40 H ALA 40 -4.386 -0.241 -5.837 284 HA ALA 40 HA ALA 40 -3.746 2.477 -6.716 285 HB1 ALA 40 1HB ALA 40 -5.428 0.576 -8.209 286 HB2 ALA 40 2HB ALA 40 -4.631 2.051 -8.758 287 HB3 ALA 40 3HB ALA 40 -6.179 2.145 -7.919 288 H GLY 41 H GLY 41 -4.658 3.923 -5.399 289 HA2 GLY 41 2HA GLY 41 -7.239 3.419 -4.158 290 HA3 GLY 41 1HA GLY 41 -5.878 3.500 -3.045 291 H TYR 42 H TYR 42 -7.297 5.346 -2.268 292 HA TYR 42 HA TYR 42 -6.399 7.829 -3.583 293 HB2 TYR 42 2HB TYR 42 -8.965 8.213 -2.337 294 HB3 TYR 42 1HB TYR 42 -8.493 8.499 -4.012 295 HD1 TYR 42 1HD TYR 42 -8.361 6.448 -5.581 296 HD2 TYR 42 2HD TYR 42 -10.388 6.418 -1.793 297 HE1 TYR 42 1HE TYR 42 -9.653 4.452 -6.288 298 HE2 TYR 42 2HE TYR 42 -11.678 4.422 -2.500 299 HH TYR 42 HH TYR 42 -11.977 2.892 -4.078 300 H GLY 43 H GLY 43 -6.536 9.723 -2.115 301 HA2 GLY 43 2HA GLY 43 -6.374 8.997 0.741 302 HA3 GLY 43 1HA GLY 43 -5.068 9.910 -0.010 303 H TRP 44 H TRP 44 -7.002 10.606 2.168 304 HA TRP 44 HA TRP 44 -7.869 13.180 1.028 305 HB2 TRP 44 2HB TRP 44 -9.555 11.150 2.441 306 HB3 TRP 44 1HB TRP 44 -9.898 12.864 2.680 307 HD1 TRP 44 HD TRP 44 -9.907 14.274 0.170 308 HE1 TRP 44 1HE TRP 44 -11.205 13.577 -1.947 309 HE3 TRP 44 3HE TRP 44 -10.606 9.314 1.158 310 HZ2 TRP 44 2HZ TRP 44 -12.382 11.225 -3.071 311 HZ3 TRP 44 3HZ TRP 44 -11.818 7.871 -0.450 312 HH2 TRP 44 HH TRP 44 -12.705 8.818 -2.562 313 H ASN 45 H ASN 45 -7.541 14.907 2.340 314 HA ASN 45 HA ASN 45 -6.230 14.366 4.921 315 HB2 ASN 45 2HB ASN 45 -4.976 15.729 3.295 316 HB3 ASN 45 1HB ASN 45 -6.297 16.895 3.257 317 HD21 ASN 45 1HD2 ASN 45 -4.432 18.378 4.053 318 HD22 ASN 45 2HD2 ASN 45 -4.172 18.447 5.729 319 H ASN 46 H ASN 46 -7.192 17.537 4.744 320 HA ASN 46 HA ASN 46 -9.420 17.032 6.606 321 HB2 ASN 46 2HB ASN 46 -7.559 19.358 6.179 322 HB3 ASN 46 1HB ASN 46 -9.072 19.551 7.061 323 HD21 ASN 46 1HD2 ASN 46 -7.191 20.045 8.782 324 HD22 ASN 46 2HD2 ASN 46 -6.726 18.709 9.721 325 H SER 47 H SER 47 -9.050 20.092 5.027 326 HA SER 47 HA SER 47 -11.728 19.854 3.910 327 HB2 SER 47 2HB SER 47 -11.239 22.287 3.250 328 HB3 SER 47 1HB SER 47 -11.346 21.929 4.970 329 HG SER 47 HG SER 47 -9.448 23.183 4.079 330 H SER 48 H SER 48 -12.166 19.391 1.852 331 HA SER 48 HA SER 48 -11.752 18.665 -0.309 332 HB2 SER 48 2HB SER 48 -11.710 21.339 -0.192 333 HB3 SER 48 1HB SER 48 -10.060 21.074 -0.749 334 HG SER 48 HG SER 48 -11.945 19.525 -2.009 335 H LEU 49 H LEU 49 -9.448 19.499 -1.915 336 HA LEU 49 HA LEU 49 -7.348 18.759 -2.473 337 HB2 LEU 49 2HB LEU 49 -7.167 19.520 0.211 338 HB3 LEU 49 1HB LEU 49 -6.457 17.908 0.165 339 HG LEU 49 HG LEU 49 -4.714 19.553 -0.251 340 HD11 LEU 49 1HD1 LEU 49 -5.222 17.371 -1.828 341 HD12 LEU 49 2HD1 LEU 49 -3.750 18.340 -1.911 342 HD13 LEU 49 3HD1 LEU 49 -5.073 18.650 -3.035 343 HD21 LEU 49 1HD2 LEU 49 -5.163 21.468 -1.347 344 HD22 LEU 49 2HD2 LEU 49 -6.800 20.891 -1.657 345 HD23 LEU 49 3HD2 LEU 49 -5.514 20.560 -2.817 346 H ASN 50 H ASN 50 -7.318 16.905 -3.562 347 HA ASN 50 HA ASN 50 -7.542 14.381 -2.053 348 HB2 ASN 50 2HB ASN 50 -8.679 14.365 -4.778 349 HB3 ASN 50 1HB ASN 50 -9.240 13.559 -3.314 350 HD21 ASN 50 1HD2 ASN 50 -9.749 15.585 -1.544 351 HD22 ASN 50 2HD2 ASN 50 -10.879 16.681 -2.179 352 H ARG 51 H ARG 51 -6.390 12.630 -2.939 353 HA ARG 51 HA ARG 51 -4.678 13.198 -5.261 354 HB2 ARG 51 2HB ARG 51 -2.995 11.821 -3.538 355 HB3 ARG 51 1HB ARG 51 -2.914 13.544 -3.906 356 HG2 ARG 51 2HG ARG 51 -4.311 14.088 -2.015 357 HG3 ARG 51 1HG ARG 51 -4.649 12.383 -1.712 358 HD2 ARG 51 2HD ARG 51 -2.793 13.620 -0.309 359 HD3 ARG 51 1HD ARG 51 -2.525 11.970 -0.863 360 HE ARG 51 HE ARG 51 -0.900 12.770 -2.334 361 HH11 ARG 51 1HH1 ARG 51 0.454 14.412 -3.129 362 HH12 ARG 51 2HH1 ARG 51 0.081 16.070 -2.797 363 HH21 ARG 51 1HH2 ARG 51 -2.777 15.339 -0.975 364 HH22 ARG 51 2HH2 ARG 51 -1.750 16.595 -1.578 365 H PHE 52 H PHE 52 -3.815 11.314 -6.269 366 HA PHE 52 HA PHE 52 -5.092 8.773 -5.460 367 HB2 PHE 52 2HB PHE 52 -4.662 9.456 -8.350 368 HB3 PHE 52 1HB PHE 52 -5.791 8.307 -7.633 369 HD1 PHE 52 1HD PHE 52 -5.766 11.257 -9.348 370 HD2 PHE 52 2HD PHE 52 -7.282 9.650 -5.663 371 HE1 PHE 52 1HE PHE 52 -7.532 12.997 -9.315 372 HE2 PHE 52 2HE PHE 52 -9.048 11.390 -5.631 373 HZ PHE 52 HZ PHE 52 -9.174 13.063 -7.456 374 H GLU 53 H GLU 53 -3.658 7.204 -5.145 375 HA GLU 53 HA GLU 53 -0.938 7.541 -6.218 376 HB2 GLU 53 2HB GLU 53 -2.002 5.721 -4.044 377 HB3 GLU 53 1HB GLU 53 -0.315 5.821 -4.550 378 HG2 GLU 53 2HG GLU 53 0.009 7.857 -3.550 379 HG3 GLU 53 1HG GLU 53 -1.640 8.392 -3.869 380 H PHE 54 H PHE 54 -0.190 6.285 -7.802 381 HA PHE 54 HA PHE 54 -1.514 3.707 -8.338 382 HB2 PHE 54 2HB PHE 54 -2.549 5.108 -9.948 383 HB3 PHE 54 1HB PHE 54 -1.039 5.948 -10.302 384 HD1 PHE 54 1HD PHE 54 -2.932 2.807 -10.750 385 HD2 PHE 54 2HD PHE 54 0.651 4.962 -11.736 386 HE1 PHE 54 1HE PHE 54 -2.429 1.156 -12.531 387 HE2 PHE 54 2HE PHE 54 1.154 3.311 -13.517 388 HZ PHE 54 HZ PHE 54 -0.385 1.408 -13.915 389 H GLY 55 H GLY 55 -0.053 2.133 -8.422 390 HA2 GLY 55 2HA GLY 55 2.348 2.241 -9.909 391 HA3 GLY 55 1HA GLY 55 2.713 2.510 -8.207 392 H GLY 56 H GLY 56 3.769 0.590 -7.819 393 HA2 GLY 56 2HA GLY 56 2.053 -1.778 -7.637 394 HA3 GLY 56 1HA GLY 56 3.527 -1.922 -8.587 395 H GLY 57 H GLY 57 3.521 -3.639 -6.657 396 HA2 GLY 57 2HA GLY 57 5.282 -2.488 -4.580 397 HA3 GLY 57 1HA GLY 57 3.991 -3.605 -4.144 398 H LEU 58 H LEU 58 6.667 -4.122 -3.541 399 HA LEU 58 HA LEU 58 7.214 -6.446 -5.289 400 HB2 LEU 58 2HB LEU 58 8.942 -4.199 -4.600 401 HB3 LEU 58 1HB LEU 58 9.659 -5.753 -4.173 402 HG LEU 58 HG LEU 58 9.244 -6.582 -6.457 403 HD11 LEU 58 1HD1 LEU 58 8.699 -4.446 -8.041 404 HD12 LEU 58 2HD1 LEU 58 7.756 -4.019 -6.613 405 HD13 LEU 58 3HD1 LEU 58 7.458 -5.546 -7.443 406 HD21 LEU 58 1HD2 LEU 58 10.845 -5.068 -7.636 407 HD22 LEU 58 2HD2 LEU 58 11.386 -5.496 -6.013 408 HD23 LEU 58 3HD2 LEU 58 10.676 -3.911 -6.316 409 H GLN 59 H GLN 59 7.562 -8.342 -4.278 410 HA GLN 59 HA GLN 59 8.139 -8.381 -1.405 411 HB2 GLN 59 2HB GLN 59 6.233 -10.364 -1.624 412 HB3 GLN 59 1HB GLN 59 5.971 -8.769 -0.921 413 HG2 GLN 59 2HG GLN 59 5.139 -7.895 -2.992 414 HG3 GLN 59 1HG GLN 59 5.659 -9.329 -3.878 415 HE21 GLN 59 1HE2 GLN 59 3.552 -8.533 -1.046 416 HE22 GLN 59 2HE2 GLN 59 2.350 -9.662 -1.450 417 H TYR 60 H TYR 60 8.640 -10.614 -0.649 418 HA TYR 60 HA TYR 60 9.769 -12.275 -2.824 419 HB2 TYR 60 2HB TYR 60 11.123 -10.948 -0.682 420 HB3 TYR 60 1HB TYR 60 11.232 -12.689 -0.423 421 HD1 TYR 60 1HD TYR 60 11.768 -14.113 -2.596 422 HD2 TYR 60 2HD TYR 60 12.660 -9.937 -2.127 423 HE1 TYR 60 1HE TYR 60 13.481 -14.279 -4.380 424 HE2 TYR 60 2HE TYR 60 14.373 -10.102 -3.911 425 HH TYR 60 HH TYR 60 14.577 -12.683 -6.027 426 H LYS 61 H LYS 61 9.943 -14.545 -2.349 427 HA LYS 61 HA LYS 61 7.906 -15.454 -0.407 428 HB2 LYS 61 2HB LYS 61 8.900 -16.685 -2.984 429 HB3 LYS 61 1HB LYS 61 7.851 -17.525 -1.842 430 HG2 LYS 61 2HG LYS 61 7.016 -14.789 -2.678 431 HG3 LYS 61 1HG LYS 61 6.869 -16.073 -3.879 432 HD2 LYS 61 2HD LYS 61 5.471 -17.385 -2.422 433 HD3 LYS 61 1HD LYS 61 5.779 -16.301 -1.063 434 HE2 LYS 61 2HE LYS 61 4.602 -15.167 -3.575 435 HE3 LYS 61 1HE LYS 61 3.557 -16.065 -2.475 436 HZ1 LYS 61 1HZ LYS 61 3.559 -13.725 -1.927 437 HZ2 LYS 61 2HZ LYS 61 5.250 -13.732 -1.761 438 HZ3 LYS 61 3HZ LYS 61 4.283 -14.612 -0.675 439 H VAL 62 H VAL 62 9.061 -15.829 1.429 440 HA VAL 62 HA VAL 62 11.157 -17.898 1.256 441 HB VAL 62 HB VAL 62 12.478 -16.722 2.948 442 HG11 VAL 62 1HG1 VAL 62 12.265 -16.070 0.283 443 HG12 VAL 62 2HG1 VAL 62 13.519 -15.466 1.367 444 HG13 VAL 62 3HG1 VAL 62 12.075 -14.498 1.060 445 HG21 VAL 62 1HG2 VAL 62 11.525 -14.136 3.009 446 HG22 VAL 62 2HG2 VAL 62 11.272 -15.331 4.281 447 HG23 VAL 62 3HG2 VAL 62 10.036 -15.080 3.049 448 H THR 63 H THR 63 8.598 -16.328 3.067 449 HA THR 63 HA THR 63 8.411 -18.715 4.777 450 HB THR 63 HB THR 63 7.533 -16.635 6.389 451 HG1 THR 63 1HG THR 63 8.492 -15.192 4.873 452 HG21 THR 63 1HG2 THR 63 9.573 -17.077 7.678 453 HG22 THR 63 2HG2 THR 63 10.314 -17.841 6.272 454 HG23 THR 63 3HG2 THR 63 8.924 -18.592 7.052 455 HA PRO 64 HA PRO 64 4.085 -18.920 3.930 456 HB2 PRO 64 2HB PRO 64 3.523 -18.106 6.758 457 HB3 PRO 64 1HB PRO 64 2.856 -19.456 5.818 458 HG2 PRO 64 2HG PRO 64 4.751 -19.826 7.659 459 HG3 PRO 64 1HG PRO 64 4.685 -20.785 6.171 460 HD2 PRO 64 2HD PRO 64 6.604 -18.666 6.942 461 HD3 PRO 64 1HD PRO 64 6.800 -20.004 5.791 462 H ASP 65 H ASP 65 5.552 -16.084 5.134 463 HA ASP 65 HA ASP 65 4.327 -14.238 3.570 464 HB2 ASP 65 2HB ASP 65 2.536 -15.006 5.793 465 HB3 ASP 65 1HB ASP 65 2.763 -13.273 5.593 466 H LEU 66 H LEU 66 6.677 -13.925 4.044 467 HA LEU 66 HA LEU 66 6.974 -11.710 5.891 468 HB2 LEU 66 2HB LEU 66 7.661 -14.298 6.776 469 HB3 LEU 66 1HB LEU 66 9.183 -13.491 6.397 470 HG LEU 66 HG LEU 66 6.987 -12.347 8.150 471 HD11 LEU 66 1HD1 LEU 66 9.476 -13.910 8.694 472 HD12 LEU 66 2HD1 LEU 66 7.934 -13.917 9.553 473 HD13 LEU 66 3HD1 LEU 66 9.075 -12.593 9.797 474 HD21 LEU 66 1HD2 LEU 66 9.236 -11.168 6.778 475 HD22 LEU 66 2HD2 LEU 66 9.485 -11.062 8.520 476 HD23 LEU 66 3HD2 LEU 66 8.029 -10.380 7.793 477 H GLU 67 H GLU 67 7.737 -10.310 4.410 478 HA GLU 67 HA GLU 67 10.361 -10.725 3.320 479 HB2 GLU 67 2HB GLU 67 9.479 -10.354 0.915 480 HB3 GLU 67 1HB GLU 67 9.339 -11.971 1.600 481 HG2 GLU 67 2HG GLU 67 7.100 -9.994 1.954 482 HG3 GLU 67 1HG GLU 67 7.251 -10.880 0.438 483 HA PRO 68 HA PRO 68 10.274 -6.301 3.550 484 HB2 PRO 68 2HB PRO 68 11.886 -5.645 1.376 485 HB3 PRO 68 1HB PRO 68 12.480 -6.090 2.986 486 HG2 PRO 68 2HG PRO 68 12.277 -7.731 0.523 487 HG3 PRO 68 1HG PRO 68 13.502 -7.753 1.803 488 HD2 PRO 68 2HD PRO 68 11.571 -9.654 1.620 489 HD3 PRO 68 1HD PRO 68 12.239 -9.130 3.179 490 H TYR 69 H TYR 69 9.213 -4.516 2.628 491 HA TYR 69 HA TYR 69 7.730 -5.076 0.126 492 HB2 TYR 69 2HB TYR 69 6.469 -4.909 2.397 493 HB3 TYR 69 1HB TYR 69 6.751 -3.177 2.234 494 HD1 TYR 69 1HD TYR 69 5.474 -6.124 0.304 495 HD2 TYR 69 2HD TYR 69 5.290 -1.879 0.938 496 HE1 TYR 69 1HE TYR 69 3.585 -5.967 -1.295 497 HE2 TYR 69 2HE TYR 69 3.399 -1.723 -0.661 498 HH TYR 69 HH TYR 69 2.115 -2.818 -2.098 499 H ALA 70 H ALA 70 7.920 -3.662 -1.492 500 HA ALA 70 HA ALA 70 9.008 -0.978 -0.924 501 HB1 ALA 70 1HB ALA 70 10.941 -2.048 -1.714 502 HB2 ALA 70 2HB ALA 70 10.275 -1.291 -3.161 503 HB3 ALA 70 3HB ALA 70 10.040 -3.016 -2.882 504 H TRP 71 H TRP 71 7.727 0.540 -1.735 505 HA TRP 71 HA TRP 71 5.980 -0.146 -4.024 506 HB2 TRP 71 2HB TRP 71 4.414 0.324 -2.422 507 HB3 TRP 71 1HB TRP 71 5.505 1.366 -1.510 508 HD1 TRP 71 HD TRP 71 3.633 1.412 -4.897 509 HE1 TRP 71 1HE TRP 71 2.931 3.843 -5.390 510 HE3 TRP 71 3HE TRP 71 5.718 3.764 -0.874 511 HZ2 TRP 71 2HZ TRP 71 3.218 6.443 -4.231 512 HZ3 TRP 71 3HZ TRP 71 5.489 6.216 -0.591 513 HH2 TRP 71 HH TRP 71 4.241 7.557 -2.264 514 H ALA 72 H ALA 72 5.708 1.376 -5.665 515 HA ALA 72 HA ALA 72 7.074 3.920 -5.584 516 HB1 ALA 72 1HB ALA 72 8.807 3.522 -7.061 517 HB2 ALA 72 2HB ALA 72 8.017 2.114 -7.774 518 HB3 ALA 72 3HB ALA 72 8.775 1.991 -6.186 519 H GLY 73 H GLY 73 6.031 5.332 -6.858 520 HA2 GLY 73 2HA GLY 73 4.904 4.716 -9.387 521 HA3 GLY 73 1HA GLY 73 3.642 4.722 -8.158 522 H ALA 74 H ALA 74 2.833 6.539 -9.505 523 HA ALA 74 HA ALA 74 4.186 9.087 -8.836 524 HB1 ALA 74 1HB ALA 74 3.282 8.068 -11.337 525 HB2 ALA 74 2HB ALA 74 4.005 9.639 -10.996 526 HB3 ALA 74 3HB ALA 74 2.256 9.436 -10.907 527 H THR 75 H THR 75 2.994 10.728 -7.943 528 HA THR 75 HA THR 75 0.307 9.979 -6.981 529 HB THR 75 HB THR 75 2.294 12.021 -5.960 530 HG1 THR 75 1HG THR 75 1.577 10.307 -4.138 531 HG21 THR 75 1HG2 THR 75 0.206 12.990 -5.491 532 HG22 THR 75 2HG2 THR 75 0.548 12.059 -4.034 533 HG23 THR 75 3HG2 THR 75 -0.567 11.425 -5.244 534 H TYR 76 H TYR 76 -1.309 10.793 -8.146 535 HA TYR 76 HA TYR 76 -0.922 13.334 -9.575 536 HB2 TYR 76 2HB TYR 76 -1.779 11.268 -10.767 537 HB3 TYR 76 1HB TYR 76 -3.251 11.424 -9.809 538 HD1 TYR 76 1HD TYR 76 -4.730 13.386 -10.075 539 HD2 TYR 76 2HD TYR 76 -1.252 12.836 -12.536 540 HE1 TYR 76 1HE TYR 76 -5.580 15.094 -11.658 541 HE2 TYR 76 2HE TYR 76 -2.103 14.544 -14.119 542 HH TYR 76 HH TYR 76 -5.226 15.588 -14.193 543 H ASN 77 H ASN 77 -1.436 15.061 -8.379 544 HA ASN 77 HA ASN 77 -3.514 14.921 -6.348 545 HB2 ASN 77 2HB ASN 77 -1.288 16.213 -6.174 546 HB3 ASN 77 1HB ASN 77 -2.059 17.413 -7.210 547 HD21 ASN 77 1HD2 ASN 77 -3.574 18.833 -6.242 548 HD22 ASN 77 2HD2 ASN 77 -4.045 18.733 -4.614 549 H THR 78 H THR 78 -5.403 16.180 -6.335 550 HA THR 78 HA THR 78 -6.834 16.338 -8.726 551 HB THR 78 HB THR 78 -7.264 17.883 -6.158 552 HG1 THR 78 1HG THR 78 -8.984 16.026 -6.305 553 HG21 THR 78 1HG2 THR 78 -8.986 17.419 -8.595 554 HG22 THR 78 2HG2 THR 78 -8.558 18.956 -7.843 555 HG23 THR 78 3HG2 THR 78 -9.670 17.856 -7.029 556 H ASP 79 H ASP 79 -4.512 18.500 -7.383 557 HA ASP 79 HA ASP 79 -5.374 20.860 -8.776 558 HB2 ASP 79 2HB ASP 79 -3.959 20.840 -6.687 559 HB3 ASP 79 1HB ASP 79 -2.620 20.264 -7.681 560 H ASN 80 H ASN 80 -4.831 18.253 -10.255 561 HA ASN 80 HA ASN 80 -3.989 17.612 -12.293 562 HB2 ASN 80 2HB ASN 80 -5.022 19.980 -12.756 563 HB3 ASN 80 1HB ASN 80 -3.337 20.471 -12.914 564 HD21 ASN 80 1HD2 ASN 80 -5.879 19.500 -14.778 565 HD22 ASN 80 2HD2 ASN 80 -5.039 18.731 -16.036 566 H THR 81 H THR 81 -2.204 17.919 -9.957 567 HA THR 81 HA THR 81 0.356 18.535 -11.292 568 HB THR 81 HB THR 81 -0.117 18.091 -8.340 569 HG1 THR 81 1HG THR 81 0.012 20.525 -9.788 570 HG21 THR 81 1HG2 THR 81 2.115 19.355 -9.951 571 HG22 THR 81 2HG2 THR 81 2.199 17.850 -9.037 572 HG23 THR 81 3HG2 THR 81 2.014 19.387 -8.192 573 H LEU 82 H LEU 82 1.940 17.020 -11.497 574 HA LEU 82 HA LEU 82 1.402 14.314 -10.438 575 HB2 LEU 82 2HB LEU 82 2.802 14.301 -12.997 576 HB3 LEU 82 1HB LEU 82 1.400 13.367 -12.479 577 HG LEU 82 HG LEU 82 0.014 15.477 -12.824 578 HD11 LEU 82 1HD1 LEU 82 1.012 17.398 -13.461 579 HD12 LEU 82 2HD1 LEU 82 1.846 16.583 -14.784 580 HD13 LEU 82 3HD1 LEU 82 2.565 16.615 -13.174 581 HD21 LEU 82 1HD2 LEU 82 -0.110 15.144 -15.263 582 HD22 LEU 82 2HD2 LEU 82 0.043 13.597 -14.432 583 HD23 LEU 82 3HD2 LEU 82 1.443 14.310 -15.233 584 H VAL 83 H VAL 83 3.014 13.731 -9.151 585 HA VAL 83 HA VAL 83 5.770 14.417 -9.919 586 HB VAL 83 HB VAL 83 5.933 14.592 -7.210 587 HG11 VAL 83 1HG1 VAL 83 5.985 17.048 -7.572 588 HG12 VAL 83 2HG1 VAL 83 5.251 16.818 -9.159 589 HG13 VAL 83 3HG1 VAL 83 6.866 16.188 -8.834 590 HG21 VAL 83 1HG2 VAL 83 3.416 14.389 -7.101 591 HG22 VAL 83 2HG2 VAL 83 3.316 15.922 -7.968 592 HG23 VAL 83 3HG2 VAL 83 4.055 15.861 -6.369 593 HA PRO 84 HA PRO 84 6.566 10.201 -8.879 594 HB2 PRO 84 2HB PRO 84 9.130 10.312 -7.918 595 HB3 PRO 84 1HB PRO 84 8.721 10.461 -9.639 596 HG2 PRO 84 2HG PRO 84 9.385 12.581 -7.661 597 HG3 PRO 84 1HG PRO 84 9.834 12.446 -9.369 598 HD2 PRO 84 2HD PRO 84 7.820 14.077 -8.482 599 HD3 PRO 84 1HD PRO 84 7.841 13.354 -10.105 600 H ALA 85 H ALA 85 6.999 8.699 -7.100 601 HA ALA 85 HA ALA 85 7.307 9.667 -4.413 602 HB1 ALA 85 1HB ALA 85 5.174 9.837 -3.740 603 HB2 ALA 85 2HB ALA 85 4.771 8.270 -4.441 604 HB3 ALA 85 3HB ALA 85 4.698 9.725 -5.433 605 H ALA 86 H ALA 86 8.083 8.074 -3.138 606 HA ALA 86 HA ALA 86 7.468 5.291 -3.624 607 HB1 ALA 86 1HB ALA 86 10.358 6.114 -3.893 608 HB2 ALA 86 2HB ALA 86 9.303 5.915 -5.292 609 HB3 ALA 86 3HB ALA 86 9.634 4.542 -4.235 610 H GLY 87 H GLY 87 8.124 3.934 -1.919 611 HA2 GLY 87 2HA GLY 87 9.580 5.117 0.324 612 HA3 GLY 87 1HA GLY 87 7.911 4.640 0.626 613 H ALA 88 H ALA 88 9.521 3.370 2.203 614 HA ALA 88 HA ALA 88 9.731 0.666 1.051 615 HB1 ALA 88 1HB ALA 88 11.910 2.324 2.090 616 HB2 ALA 88 2HB ALA 88 11.976 0.859 1.110 617 HB3 ALA 88 3HB ALA 88 11.808 0.740 2.862 618 H GLY 89 H GLY 89 9.607 -1.039 2.624 619 HA2 GLY 89 2HA GLY 89 9.101 -0.504 5.391 620 HA3 GLY 89 1HA GLY 89 7.608 -0.807 4.509 621 H PHE 90 H PHE 90 7.482 -2.667 6.002 622 HA PHE 90 HA PHE 90 8.740 -5.014 4.770 623 HB2 PHE 90 2HB PHE 90 8.600 -4.892 7.759 624 HB3 PHE 90 1HB PHE 90 9.657 -5.856 6.728 625 HD1 PHE 90 1HD PHE 90 9.267 -2.749 8.534 626 HD2 PHE 90 2HD PHE 90 11.484 -4.683 5.403 627 HE1 PHE 90 1HE PHE 90 11.025 -1.008 8.704 628 HE2 PHE 90 2HE PHE 90 13.242 -2.941 5.573 629 HZ PHE 90 HZ PHE 90 13.012 -1.105 7.223 630 H ARG 91 H ARG 91 7.510 -6.875 4.874 631 HA ARG 91 HA ARG 91 4.746 -6.499 5.843 632 HB2 ARG 91 2HB ARG 91 5.961 -8.034 3.582 633 HB3 ARG 91 1HB ARG 91 4.465 -8.628 4.304 634 HG2 ARG 91 2HG ARG 91 4.639 -5.717 3.635 635 HG3 ARG 91 1HG ARG 91 4.427 -6.861 2.308 636 HD2 ARG 91 2HD ARG 91 2.450 -7.809 3.428 637 HD3 ARG 91 1HD ARG 91 2.668 -6.692 4.773 638 HE ARG 91 HE ARG 91 1.791 -4.984 3.443 639 HH11 ARG 91 1HH1 ARG 91 0.720 -4.248 1.579 640 HH12 ARG 91 2HH1 ARG 91 0.681 -5.241 0.161 641 HH21 ARG 91 1HH2 ARG 91 2.503 -7.820 1.594 642 HH22 ARG 91 2HH2 ARG 91 1.690 -7.265 0.169 643 H TYR 92 H TYR 92 4.489 -7.338 7.812 644 HA TYR 92 HA TYR 92 5.796 -9.917 8.441 645 HB2 TYR 92 2HB TYR 92 5.831 -7.509 9.850 646 HB3 TYR 92 1HB TYR 92 4.674 -8.515 10.721 647 HD1 TYR 92 1HD TYR 92 5.467 -11.102 10.886 648 HD2 TYR 92 2HD TYR 92 8.065 -7.701 10.505 649 HE1 TYR 92 1HE TYR 92 7.329 -12.414 11.868 650 HE2 TYR 92 2HE TYR 92 9.925 -9.013 11.487 651 HH TYR 92 HH TYR 92 9.520 -11.802 13.168 652 H LYS 93 H LYS 93 4.583 -11.577 9.330 653 HA LYS 93 HA LYS 93 1.714 -11.418 8.802 654 HB2 LYS 93 2HB LYS 93 2.826 -13.373 7.938 655 HB3 LYS 93 1HB LYS 93 3.536 -13.725 9.514 656 HG2 LYS 93 2HG LYS 93 1.500 -14.418 10.426 657 HG3 LYS 93 1HG LYS 93 0.551 -13.516 9.245 658 HD2 LYS 93 2HD LYS 93 0.752 -15.145 7.629 659 HD3 LYS 93 1HD LYS 93 2.332 -15.674 8.210 660 HE2 LYS 93 2HE LYS 93 -0.263 -16.158 9.696 661 HE3 LYS 93 1HE LYS 93 0.496 -17.339 8.631 662 HZ1 LYS 93 1HZ LYS 93 2.562 -16.792 10.122 663 HZ2 LYS 93 2HZ LYS 93 1.405 -17.936 10.612 664 HZ3 LYS 93 3HZ LYS 93 1.370 -16.361 11.248 665 H VAL 94 H VAL 94 0.122 -11.781 10.331 666 HA VAL 94 HA VAL 94 0.973 -11.930 13.153 667 HB VAL 94 HB VAL 94 -0.846 -9.919 11.858 668 HG11 VAL 94 1HG1 VAL 94 -0.977 -11.058 14.642 669 HG12 VAL 94 2HG1 VAL 94 -2.300 -10.683 13.538 670 HG13 VAL 94 3HG1 VAL 94 -1.427 -9.380 14.346 671 HG21 VAL 94 1HG2 VAL 94 0.442 -8.386 13.306 672 HG22 VAL 94 2HG2 VAL 94 1.519 -9.336 12.282 673 HG23 VAL 94 3HG2 VAL 94 1.318 -9.760 13.983 674 H SER 95 H SER 95 -1.570 -12.370 10.748 675 HA SER 95 HA SER 95 -2.563 -14.668 12.235 676 HB2 SER 95 2HB SER 95 -3.862 -12.136 12.409 677 HB3 SER 95 1HB SER 95 -4.882 -13.207 11.451 678 HG SER 95 HG SER 95 -5.381 -14.119 13.266 679 HA PRO 96 HA PRO 96 -3.333 -16.191 8.180 680 HB2 PRO 96 2HB PRO 96 -5.586 -17.702 8.502 681 HB3 PRO 96 1HB PRO 96 -3.998 -18.180 9.132 682 HG2 PRO 96 2HG PRO 96 -6.307 -16.955 10.553 683 HG3 PRO 96 1HG PRO 96 -5.188 -18.218 11.092 684 HD2 PRO 96 2HD PRO 96 -4.981 -15.598 11.882 685 HD3 PRO 96 1HD PRO 96 -3.590 -16.702 11.776 686 H GLU 97 H GLU 97 -5.571 -14.094 9.647 687 HA GLU 97 HA GLU 97 -6.964 -13.671 7.068 688 HB2 GLU 97 2HB GLU 97 -8.077 -13.393 9.868 689 HB3 GLU 97 1HB GLU 97 -8.928 -12.938 8.391 690 HG2 GLU 97 2HG GLU 97 -9.215 -15.133 7.711 691 HG3 GLU 97 1HG GLU 97 -7.788 -15.698 8.578 692 H VAL 98 H VAL 98 -5.361 -12.278 9.831 693 HA VAL 98 HA VAL 98 -5.731 -9.574 8.685 694 HB VAL 98 HB VAL 98 -4.849 -10.212 11.499 695 HG11 VAL 98 1HG1 VAL 98 -4.359 -7.951 10.702 696 HG12 VAL 98 2HG1 VAL 98 -5.673 -7.893 11.879 697 HG13 VAL 98 3HG1 VAL 98 -6.025 -7.761 10.155 698 HG21 VAL 98 1HG2 VAL 98 -6.956 -10.967 11.850 699 HG22 VAL 98 2HG2 VAL 98 -7.491 -10.434 10.257 700 HG23 VAL 98 3HG2 VAL 98 -7.473 -9.298 11.606 701 H LYS 99 H LYS 99 -4.013 -8.551 7.891 702 HA LYS 99 HA LYS 99 -1.328 -9.663 8.453 703 HB2 LYS 99 2HB LYS 99 -2.317 -8.221 5.981 704 HB3 LYS 99 1HB LYS 99 -0.674 -8.809 6.237 705 HG2 LYS 99 2HG LYS 99 -1.525 -11.114 6.444 706 HG3 LYS 99 1HG LYS 99 -3.171 -10.531 6.194 707 HD2 LYS 99 2HD LYS 99 -2.761 -9.955 3.951 708 HD3 LYS 99 1HD LYS 99 -1.012 -9.933 4.181 709 HE2 LYS 99 2HE LYS 99 -2.594 -12.472 4.547 710 HE3 LYS 99 1HE LYS 99 -2.035 -11.971 2.952 711 HZ1 LYS 99 1HZ LYS 99 -0.341 -12.423 5.348 712 HZ2 LYS 99 2HZ LYS 99 0.225 -11.847 3.853 713 HZ3 LYS 99 3HZ LYS 99 -0.423 -13.413 3.973 714 H LEU 100 H LEU 100 0.367 -8.235 8.843 715 HA LEU 100 HA LEU 100 -0.447 -5.454 9.456 716 HB2 LEU 100 2HB LEU 100 0.536 -7.337 11.205 717 HB3 LEU 100 1HB LEU 100 1.991 -6.448 10.751 718 HG LEU 100 HG LEU 100 -0.587 -5.216 11.778 719 HD11 LEU 100 1HD1 LEU 100 0.391 -6.071 13.698 720 HD12 LEU 100 2HD1 LEU 100 1.204 -4.509 13.602 721 HD13 LEU 100 3HD1 LEU 100 2.025 -5.966 13.041 722 HD21 LEU 100 1HD2 LEU 100 1.251 -3.257 11.959 723 HD22 LEU 100 2HD2 LEU 100 0.263 -3.485 10.516 724 HD23 LEU 100 3HD2 LEU 100 1.909 -4.117 10.566 725 H VAL 101 H VAL 101 0.715 -3.808 8.617 726 HA VAL 101 HA VAL 101 3.267 -4.405 7.279 727 HB VAL 101 HB VAL 101 1.661 -4.503 5.486 728 HG11 VAL 101 1HG1 VAL 101 -0.299 -3.420 5.718 729 HG12 VAL 101 2HG1 VAL 101 0.549 -1.898 5.439 730 HG13 VAL 101 3HG1 VAL 101 0.335 -2.499 7.083 731 HG21 VAL 101 1HG2 VAL 101 2.709 -1.681 5.336 732 HG22 VAL 101 2HG2 VAL 101 2.611 -2.892 4.059 733 HG23 VAL 101 3HG2 VAL 101 3.826 -3.045 5.328 734 H VAL 102 H VAL 102 4.670 -2.612 7.088 735 HA VAL 102 HA VAL 102 3.836 -0.079 8.255 736 HB VAL 102 HB VAL 102 6.063 -0.174 9.610 737 HG11 VAL 102 1HG1 VAL 102 4.848 -1.150 11.525 738 HG12 VAL 102 2HG1 VAL 102 3.641 -1.813 10.424 739 HG13 VAL 102 3HG1 VAL 102 3.805 -0.066 10.603 740 HG21 VAL 102 1HG2 VAL 102 6.989 -2.248 10.058 741 HG22 VAL 102 2HG2 VAL 102 6.429 -2.529 8.408 742 HG23 VAL 102 3HG2 VAL 102 5.473 -3.103 9.775 743 H GLU 103 H GLU 103 4.329 1.230 6.656 744 HA GLU 103 HA GLU 103 7.066 1.199 5.582 745 HB2 GLU 103 2HB GLU 103 6.333 1.377 3.316 746 HB3 GLU 103 1HB GLU 103 5.468 0.008 4.015 747 HG2 GLU 103 2HG GLU 103 3.640 1.061 3.144 748 HG3 GLU 103 1HG GLU 103 3.746 2.012 4.625 749 H TYR 104 H TYR 104 7.826 3.203 4.849 750 HA TYR 104 HA TYR 104 6.184 5.527 5.668 751 HB2 TYR 104 2HB TYR 104 8.707 6.495 5.734 752 HB3 TYR 104 1HB TYR 104 7.909 5.778 7.133 753 HD1 TYR 104 1HD TYR 104 8.506 3.568 7.936 754 HD2 TYR 104 2HD TYR 104 10.339 5.203 4.412 755 HE1 TYR 104 1HE TYR 104 10.219 1.777 7.996 756 HE2 TYR 104 2HE TYR 104 12.054 3.410 4.473 757 HH TYR 104 HH TYR 104 11.800 0.702 6.664 758 H GLY 105 H GLY 105 5.988 7.214 4.268 759 HA2 GLY 105 2HA GLY 105 6.829 6.742 1.516 760 HA3 GLY 105 1HA GLY 105 5.737 8.004 2.075 761 H TRP 106 H TRP 106 8.252 7.992 0.365 762 HA TRP 106 HA TRP 106 9.508 10.290 1.702 763 HB2 TRP 106 2HB TRP 106 10.995 8.490 2.274 764 HB3 TRP 106 1HB TRP 106 10.982 7.882 0.619 765 HD1 TRP 106 HD TRP 106 12.332 10.745 2.758 766 HE1 TRP 106 1HE TRP 106 14.230 11.921 1.467 767 HE3 TRP 106 3HE TRP 106 11.942 8.366 -1.744 768 HZ2 TRP 106 2HZ TRP 106 15.424 11.860 -1.131 769 HZ3 TRP 106 3HZ TRP 106 13.471 8.943 -3.608 770 HH2 TRP 106 HH TRP 106 15.210 10.685 -3.308 771 H ASN 107 H ASN 107 10.526 11.758 0.276 772 HA ASN 107 HA ASN 107 10.167 11.274 -2.602 773 HB2 ASN 107 2HB ASN 107 8.157 12.491 -1.746 774 HB3 ASN 107 1HB ASN 107 9.223 13.794 -1.222 775 HD21 ASN 107 1HD2 ASN 107 10.312 15.069 -2.909 776 HD22 ASN 107 2HD2 ASN 107 9.759 15.037 -4.513 777 H ASN 108 H ASN 108 11.308 12.925 -3.923 778 HA ASN 108 HA ASN 108 13.976 13.138 -3.373 779 HB2 ASN 108 2HB ASN 108 12.321 14.022 -5.395 780 HB3 ASN 108 1HB ASN 108 12.974 15.524 -4.742 781 HD21 ASN 108 1HD2 ASN 108 15.560 14.589 -3.940 782 HD22 ASN 108 2HD2 ASN 108 16.425 14.158 -5.333 783 H SER 109 H SER 109 14.732 13.812 -1.440 784 HA SER 109 HA SER 109 15.031 15.134 0.436 785 HB2 SER 109 2HB SER 109 14.943 17.389 -1.565 786 HB3 SER 109 1HB SER 109 15.895 17.285 -0.087 787 HG SER 109 HG SER 109 17.355 16.235 -1.163 788 H SER 110 H SER 110 13.130 14.946 1.600 789 HA SER 110 HA SER 110 11.611 17.303 1.985 790 HB2 SER 110 2HB SER 110 10.545 15.313 0.069 791 HB3 SER 110 1HB SER 110 9.410 15.895 1.286 792 HG SER 110 HG SER 110 9.586 17.897 0.513 793 H LEU 111 H LEU 111 9.949 17.033 3.634 794 HA LEU 111 HA LEU 111 10.705 15.568 5.826 795 HB2 LEU 111 2HB LEU 111 7.947 16.466 4.979 796 HB3 LEU 111 1HB LEU 111 8.290 15.769 6.563 797 HG LEU 111 HG LEU 111 10.051 17.991 5.636 798 HD11 LEU 111 1HD1 LEU 111 8.065 19.097 5.085 799 HD12 LEU 111 2HD1 LEU 111 8.255 19.525 6.785 800 HD13 LEU 111 3HD1 LEU 111 7.134 18.247 6.318 801 HD21 LEU 111 1HD2 LEU 111 10.174 16.654 7.844 802 HD22 LEU 111 2HD2 LEU 111 8.734 17.553 8.320 803 HD23 LEU 111 3HD2 LEU 111 10.233 18.412 7.965 804 H GLN 112 H GLN 112 9.951 13.635 6.807 805 HA GLN 112 HA GLN 112 9.062 11.604 4.854 806 HB2 GLN 112 2HB GLN 112 11.222 11.055 5.745 807 HB3 GLN 112 1HB GLN 112 10.681 11.366 7.395 808 HG2 GLN 112 2HG GLN 112 9.389 9.422 7.481 809 HG3 GLN 112 1HG GLN 112 9.248 9.320 5.728 810 HE21 GLN 112 1HE2 GLN 112 10.371 7.496 5.037 811 HE22 GLN 112 2HE2 GLN 112 11.893 7.016 5.614 812 H PHE 113 H PHE 113 7.552 9.999 5.552 813 HA PHE 113 HA PHE 113 6.011 10.662 7.972 814 HB2 PHE 113 2HB PHE 113 4.284 9.812 5.799 815 HB3 PHE 113 1HB PHE 113 4.149 11.221 6.850 816 HD1 PHE 113 1HD PHE 113 5.325 13.333 6.282 817 HD2 PHE 113 2HD PHE 113 5.321 9.959 3.625 818 HE1 PHE 113 1HE PHE 113 6.086 14.793 4.428 819 HE2 PHE 113 2HE PHE 113 6.082 11.418 1.771 820 HZ PHE 113 HZ PHE 113 6.464 13.834 2.172 821 H LEU 114 H LEU 114 4.826 8.920 8.849 822 HA LEU 114 HA LEU 114 5.759 6.270 7.933 823 HB2 LEU 114 2HB LEU 114 6.442 6.868 10.217 824 HB3 LEU 114 1HB LEU 114 4.755 7.142 10.653 825 HG LEU 114 HG LEU 114 5.206 4.528 9.400 826 HD11 LEU 114 1HD1 LEU 114 7.324 4.542 10.519 827 HD12 LEU 114 2HD1 LEU 114 6.233 3.612 11.548 828 HD13 LEU 114 3HD1 LEU 114 6.630 5.279 11.963 829 HD21 LEU 114 1HD2 LEU 114 3.840 3.811 11.324 830 HD22 LEU 114 2HD2 LEU 114 3.124 5.225 10.550 831 HD23 LEU 114 3HD2 LEU 114 4.024 5.406 12.057 832 H GLN 115 H GLN 115 4.293 4.588 7.680 833 HA GLN 115 HA GLN 115 1.432 5.255 7.945 834 HB2 GLN 115 2HB GLN 115 2.435 3.713 5.572 835 HB3 GLN 115 1HB GLN 115 0.913 4.583 5.768 836 HG2 GLN 115 2HG GLN 115 2.397 6.699 5.992 837 HG3 GLN 115 1HG GLN 115 3.668 5.704 5.284 838 HE21 GLN 115 1HE2 GLN 115 1.645 8.007 4.304 839 HE22 GLN 115 2HE2 GLN 115 1.216 7.437 2.764 840 H ALA 116 H ALA 116 0.281 3.715 8.905 841 HA ALA 116 HA ALA 116 1.339 0.957 8.952 842 HB1 ALA 116 1HB ALA 116 0.829 0.734 11.278 843 HB2 ALA 116 2HB ALA 116 0.009 2.295 11.312 844 HB3 ALA 116 3HB ALA 116 1.759 2.223 11.111 845 H GLY 117 H GLY 117 -0.154 -0.616 8.615 846 HA2 GLY 117 2HA GLY 117 -2.962 -0.232 9.060 847 HA3 GLY 117 1HA GLY 117 -2.545 -0.145 7.353 848 H LEU 118 H LEU 118 -3.960 -2.056 7.209 849 HA LEU 118 HA LEU 118 -2.369 -4.495 7.438 850 HB2 LEU 118 2HB LEU 118 -4.432 -5.669 8.421 851 HB3 LEU 118 1HB LEU 118 -3.476 -4.672 9.517 852 HG LEU 118 HG LEU 118 -5.571 -3.181 8.089 853 HD11 LEU 118 1HD1 LEU 118 -6.317 -5.346 10.079 854 HD12 LEU 118 2HD1 LEU 118 -6.766 -5.309 8.373 855 HD13 LEU 118 3HD1 LEU 118 -7.409 -4.096 9.483 856 HD21 LEU 118 1HD2 LEU 118 -5.827 -2.145 10.229 857 HD22 LEU 118 2HD2 LEU 118 -4.100 -2.455 10.056 858 HD23 LEU 118 3HD2 LEU 118 -5.091 -3.516 11.059 859 H SER 119 H SER 119 -3.552 -6.365 6.384 860 HA SER 119 HA SER 119 -5.243 -5.406 4.153 861 HB2 SER 119 2HB SER 119 -3.795 -7.725 3.359 862 HB3 SER 119 1HB SER 119 -3.697 -6.097 2.695 863 HG SER 119 HG SER 119 -1.919 -7.409 4.189 864 H TYR 120 H TYR 120 -6.666 -7.008 3.230 865 HA TYR 120 HA TYR 120 -7.176 -9.367 4.913 866 HB2 TYR 120 2HB TYR 120 -8.653 -7.151 5.330 867 HB3 TYR 120 1HB TYR 120 -9.569 -7.867 4.005 868 HD1 TYR 120 1HD TYR 120 -8.641 -8.138 7.513 869 HD2 TYR 120 2HD TYR 120 -10.453 -10.204 4.211 870 HE1 TYR 120 1HE TYR 120 -9.644 -9.771 9.086 871 HE2 TYR 120 2HE TYR 120 -11.455 -11.838 5.785 872 HH TYR 120 HH TYR 120 -10.482 -12.121 9.007 873 H ARG 121 H ARG 121 -8.193 -11.076 3.840 874 HA ARG 121 HA ARG 121 -8.164 -10.847 0.899 875 HB2 ARG 121 2HB ARG 121 -6.692 -12.562 1.980 876 HB3 ARG 121 1HB ARG 121 -8.146 -13.354 2.593 877 HG2 ARG 121 2HG ARG 121 -8.972 -13.636 0.287 878 HG3 ARG 121 1HG ARG 121 -7.522 -12.844 -0.331 879 HD2 ARG 121 2HD ARG 121 -7.292 -15.243 1.470 880 HD3 ARG 121 1HD ARG 121 -7.587 -15.451 -0.254 881 HE ARG 121 HE ARG 121 -5.361 -13.700 0.387 882 HH11 ARG 121 1HH1 ARG 121 -3.327 -14.455 -0.283 883 HH12 ARG 121 2HH1 ARG 121 -3.142 -16.104 -0.779 884 HH21 ARG 121 1HH2 ARG 121 -6.472 -16.915 -0.250 885 HH22 ARG 121 2HH2 ARG 121 -4.922 -17.497 -0.761 886 H ILE 122 H ILE 122 -9.984 -11.087 -0.258 887 HA ILE 122 HA ILE 122 -12.495 -11.460 1.191 888 HB ILE 122 HB ILE 122 -12.192 -10.935 -1.761 889 HG12 ILE 122 2HG1 ILE 122 -10.852 -9.228 -0.724 890 HG13 ILE 122 1HG1 ILE 122 -12.413 -8.492 -1.089 891 HG21 ILE 122 1HG2 ILE 122 -14.424 -11.549 -0.767 892 HG22 ILE 122 2HG2 ILE 122 -14.390 -9.953 -1.518 893 HG23 ILE 122 3HG2 ILE 122 -14.313 -10.104 0.237 894 HD11 ILE 122 1HD1 ILE 122 -11.949 -7.829 1.141 895 HD12 ILE 122 2HD1 ILE 122 -11.371 -9.436 1.585 896 HD13 ILE 122 3HD1 ILE 122 -13.091 -9.162 1.304 897 H GLN 123 H GLN 123 -11.402 -12.619 -1.997 898 HA GLN 123 HA GLN 123 -12.673 -15.217 -1.394 899 HB2 GLN 123 2HB GLN 123 -12.529 -13.519 -3.809 900 HB3 GLN 123 1HB GLN 123 -12.314 -15.246 -4.089 901 HG2 GLN 123 2HG GLN 123 -14.414 -15.753 -3.005 902 HG3 GLN 123 1HG GLN 123 -14.594 -14.083 -2.471 903 HE21 GLN 123 1HE2 GLN 123 -15.982 -12.890 -3.772 904 HE22 GLN 123 2HE2 GLN 123 -16.255 -13.174 -5.423 905 HA PRO 124 HA PRO 124 -8.991 -17.636 -1.469 906 HB2 PRO 124 2HB PRO 124 -9.941 -18.741 -4.087 907 HB3 PRO 124 1HB PRO 124 -9.329 -19.598 -2.659 908 HG2 PRO 124 2HG PRO 124 -11.953 -19.422 -3.247 909 HG3 PRO 124 1HG PRO 124 -11.337 -19.530 -1.591 910 HD2 PRO 124 2HD PRO 124 -12.615 -17.251 -2.932 911 HD3 PRO 124 1HD PRO 124 -12.304 -17.505 -1.202 Start of MODEL 19 1 H1 MET 1 1HT MET 1 2.025 -20.237 -6.785 2 H2 MET 1 2HT MET 1 0.780 -19.225 -6.227 3 H3 MET 1 3HT MET 1 0.409 -20.608 -7.145 4 HA MET 1 HA MET 1 1.305 -22.018 -5.369 5 HB2 MET 1 2HB MET 1 2.780 -20.090 -4.519 6 HB3 MET 1 1HB MET 1 1.332 -19.494 -3.707 7 HG2 MET 1 2HG MET 1 1.101 -21.799 -2.663 8 HG3 MET 1 1HG MET 1 2.710 -22.156 -3.291 9 HE1 MET 1 1HE MET 1 1.244 -21.824 -0.258 10 HE2 MET 1 2HE MET 1 0.529 -20.299 -0.777 11 HE3 MET 1 3HE MET 1 1.669 -20.316 0.567 12 H GLN 2 H GLN 2 -0.433 -19.130 -4.198 13 HA GLN 2 HA GLN 2 -2.650 -20.805 -3.331 14 HB2 GLN 2 2HB GLN 2 -3.547 -18.558 -2.515 15 HB3 GLN 2 1HB GLN 2 -2.044 -19.113 -1.777 16 HG2 GLN 2 2HG GLN 2 -0.813 -17.447 -2.721 17 HG3 GLN 2 1HG GLN 2 -1.702 -17.521 -4.242 18 HE21 GLN 2 1HE2 GLN 2 -1.323 -15.721 -1.340 19 HE22 GLN 2 2HE2 GLN 2 -2.677 -14.714 -1.524 20 H ASP 3 H ASP 3 -3.740 -17.749 -4.145 21 HA ASP 3 HA ASP 3 -5.450 -18.807 -6.224 22 HB2 ASP 3 2HB ASP 3 -5.646 -16.746 -4.357 23 HB3 ASP 3 1HB ASP 3 -5.516 -15.918 -5.908 24 H GLY 4 H GLY 4 -5.325 -18.446 -8.382 25 HA2 GLY 4 2HA GLY 4 -2.823 -17.559 -9.475 26 HA3 GLY 4 1HA GLY 4 -4.236 -18.078 -10.390 27 HA PRO 5 HA PRO 5 -3.393 -13.436 -10.904 28 HB2 PRO 5 2HB PRO 5 -4.354 -14.278 -13.602 29 HB3 PRO 5 1HB PRO 5 -3.035 -13.176 -13.167 30 HG2 PRO 5 2HG PRO 5 -2.575 -15.661 -14.036 31 HG3 PRO 5 1HG PRO 5 -1.544 -14.876 -12.828 32 HD2 PRO 5 2HD PRO 5 -3.534 -17.059 -12.464 33 HD3 PRO 5 1HD PRO 5 -2.074 -16.690 -11.520 34 H GLY 6 H GLY 6 -4.980 -11.839 -10.958 35 HA2 GLY 6 2HA GLY 6 -7.159 -10.990 -11.426 36 HA3 GLY 6 1HA GLY 6 -7.753 -12.644 -11.521 37 H THR 7 H THR 7 -5.641 -12.125 -8.911 38 HA THR 7 HA THR 7 -7.667 -12.655 -6.978 39 HB THR 7 HB THR 7 -5.057 -11.475 -6.153 40 HG1 THR 7 1HG THR 7 -4.770 -14.078 -6.645 41 HG21 THR 7 1HG2 THR 7 -5.201 -13.268 -4.490 42 HG22 THR 7 2HG2 THR 7 -6.616 -13.931 -5.305 43 HG23 THR 7 3HG2 THR 7 -6.708 -12.354 -4.523 44 H LEU 8 H LEU 8 -8.503 -11.310 -5.365 45 HA LEU 8 HA LEU 8 -8.081 -8.410 -5.719 46 HB2 LEU 8 2HB LEU 8 -10.499 -9.905 -6.240 47 HB3 LEU 8 1HB LEU 8 -10.757 -8.752 -4.932 48 HG LEU 8 HG LEU 8 -9.813 -6.949 -6.339 49 HD11 LEU 8 1HD1 LEU 8 -8.378 -7.712 -7.937 50 HD12 LEU 8 2HD1 LEU 8 -9.839 -7.863 -8.913 51 HD13 LEU 8 3HD1 LEU 8 -9.197 -9.269 -8.067 52 HD21 LEU 8 1HD2 LEU 8 -12.265 -8.411 -6.819 53 HD22 LEU 8 2HD2 LEU 8 -11.700 -7.661 -8.313 54 HD23 LEU 8 3HD2 LEU 8 -11.984 -6.671 -6.881 55 H ASP 9 H ASP 9 -7.633 -7.406 -3.865 56 HA ASP 9 HA ASP 9 -8.664 -8.511 -1.343 57 HB2 ASP 9 2HB ASP 9 -5.820 -7.583 -1.431 58 HB3 ASP 9 1HB ASP 9 -6.596 -8.714 -0.323 59 H VAL 10 H VAL 10 -8.789 -6.998 0.364 60 HA VAL 10 HA VAL 10 -8.658 -4.178 -0.525 61 HB VAL 10 HB VAL 10 -10.286 -5.044 1.829 62 HG11 VAL 10 1HG1 VAL 10 -11.615 -3.150 1.216 63 HG12 VAL 10 2HG1 VAL 10 -10.868 -3.060 -0.379 64 HG13 VAL 10 3HG1 VAL 10 -9.935 -2.639 1.056 65 HG21 VAL 10 1HG2 VAL 10 -12.194 -5.397 0.175 66 HG22 VAL 10 2HG2 VAL 10 -10.983 -6.678 0.215 67 HG23 VAL 10 3HG2 VAL 10 -10.968 -5.490 -1.088 68 H PHE 11 H PHE 11 -7.456 -2.756 0.625 69 HA PHE 11 HA PHE 11 -6.567 -3.427 3.321 70 HB2 PHE 11 2HB PHE 11 -4.244 -3.385 2.866 71 HB3 PHE 11 1HB PHE 11 -4.929 -4.433 1.624 72 HD1 PHE 11 1HD PHE 11 -5.338 -3.539 -0.681 73 HD2 PHE 11 2HD PHE 11 -3.225 -1.291 2.306 74 HE1 PHE 11 1HE PHE 11 -4.437 -2.044 -2.443 75 HE2 PHE 11 2HE PHE 11 -2.325 0.205 0.546 76 HZ PHE 11 HZ PHE 11 -2.932 -0.171 -1.830 77 H VAL 12 H VAL 12 -6.056 -1.661 4.541 78 HA VAL 12 HA VAL 12 -6.434 0.971 3.249 79 HB VAL 12 HB VAL 12 -6.880 0.106 6.116 80 HG11 VAL 12 1HG1 VAL 12 -7.873 2.464 6.251 81 HG12 VAL 12 2HG1 VAL 12 -7.021 2.797 4.743 82 HG13 VAL 12 3HG1 VAL 12 -6.113 2.364 6.191 83 HG21 VAL 12 1HG2 VAL 12 -8.861 1.147 4.074 84 HG22 VAL 12 2HG2 VAL 12 -9.213 0.416 5.640 85 HG23 VAL 12 3HG2 VAL 12 -8.567 -0.574 4.330 86 H ALA 13 H ALA 13 -5.094 2.728 3.972 87 HA ALA 13 HA ALA 13 -2.787 2.157 5.611 88 HB1 ALA 13 1HB ALA 13 -1.279 1.834 3.984 89 HB2 ALA 13 2HB ALA 13 -1.783 3.321 3.180 90 HB3 ALA 13 3HB ALA 13 -2.596 1.801 2.811 91 H ALA 14 H ALA 14 -2.841 3.841 6.891 92 HA ALA 14 HA ALA 14 -3.611 6.479 5.842 93 HB1 ALA 14 1HB ALA 14 -4.891 5.874 7.766 94 HB2 ALA 14 2HB ALA 14 -3.718 7.076 8.304 95 HB3 ALA 14 3HB ALA 14 -3.449 5.366 8.646 96 H GLY 15 H GLY 15 -2.153 8.059 5.595 97 HA2 GLY 15 2HA GLY 15 0.624 7.522 6.361 98 HA3 GLY 15 1HA GLY 15 0.073 8.771 5.247 99 H TRP 16 H TRP 16 1.920 9.338 7.233 100 HA TRP 16 HA TRP 16 0.436 11.324 8.786 101 HB2 TRP 16 2HB TRP 16 1.209 8.937 9.979 102 HB3 TRP 16 1HB TRP 16 2.493 10.061 10.422 103 HD1 TRP 16 HD TRP 16 1.247 12.668 11.039 104 HE1 TRP 16 1HE TRP 16 -0.583 13.004 12.825 105 HE3 TRP 16 3HE TRP 16 -0.548 7.898 11.374 106 HZ2 TRP 16 2HZ TRP 16 -2.549 11.454 14.211 107 HZ3 TRP 16 3HZ TRP 16 -2.397 7.356 12.932 108 HH2 TRP 16 HH TRP 16 -3.398 9.126 14.350 109 H ASN 17 H ASN 17 1.428 13.217 8.542 110 HA ASN 17 HA ASN 17 4.271 13.237 7.763 111 HB2 ASN 17 2HB ASN 17 1.957 14.706 6.899 112 HB3 ASN 17 1HB ASN 17 3.156 15.826 7.546 113 HD21 ASN 17 1HD2 ASN 17 5.190 16.028 6.412 114 HD22 ASN 17 2HD2 ASN 17 5.449 15.314 4.894 115 H THR 18 H THR 18 5.769 14.496 8.849 116 HA THR 18 HA THR 18 5.463 14.800 11.625 117 HB THR 18 HB THR 18 7.490 16.546 10.982 118 HG1 THR 18 1HG THR 18 6.998 15.931 8.742 119 HG21 THR 18 1HG2 THR 18 7.628 14.655 12.538 120 HG22 THR 18 2HG2 THR 18 8.966 14.598 11.391 121 HG23 THR 18 3HG2 THR 18 7.581 13.523 11.188 122 H ASP 19 H ASP 19 4.445 16.788 9.030 123 HA ASP 19 HA ASP 19 4.476 19.310 10.368 124 HB2 ASP 19 2HB ASP 19 2.860 18.310 8.015 125 HB3 ASP 19 1HB ASP 19 2.885 19.985 8.563 126 H ASN 20 H ASN 20 3.023 16.708 11.424 127 HA ASN 20 HA ASN 20 1.274 16.316 12.861 128 HB2 ASN 20 2HB ASN 20 2.042 18.685 13.634 129 HB3 ASN 20 1HB ASN 20 0.579 19.236 12.818 130 HD21 ASN 20 1HD2 ASN 20 1.792 17.395 15.576 131 HD22 ASN 20 2HD2 ASN 20 0.285 17.205 16.337 132 H THR 21 H THR 21 0.694 15.685 10.361 133 HA THR 21 HA THR 21 -2.106 16.546 10.073 134 HB THR 21 HB THR 21 -1.508 16.293 7.482 135 HG1 THR 21 1HG THR 21 0.558 17.302 7.194 136 HG21 THR 21 1HG2 THR 21 -0.962 18.852 7.621 137 HG22 THR 21 2HG2 THR 21 -1.294 18.642 9.341 138 HG23 THR 21 3HG2 THR 21 -2.543 18.275 8.151 139 H ILE 22 H ILE 22 -3.498 14.945 9.466 140 HA ILE 22 HA ILE 22 -2.350 12.239 9.280 141 HB ILE 22 HB ILE 22 -5.179 13.139 9.877 142 HG12 ILE 22 2HG1 ILE 22 -3.917 11.679 11.988 143 HG13 ILE 22 1HG1 ILE 22 -2.828 12.977 11.499 144 HG21 ILE 22 1HG2 ILE 22 -5.275 10.660 10.643 145 HG22 ILE 22 2HG2 ILE 22 -3.857 10.442 9.619 146 HG23 ILE 22 3HG2 ILE 22 -5.377 10.995 8.915 147 HD11 ILE 22 1HD1 ILE 22 -5.758 13.317 12.207 148 HD12 ILE 22 2HD1 ILE 22 -4.660 14.611 11.729 149 HD13 ILE 22 3HD1 ILE 22 -4.398 13.748 13.244 150 H GLU 23 H GLU 23 -2.919 10.827 7.628 151 HA GLU 23 HA GLU 23 -4.523 11.921 5.411 152 HB2 GLU 23 2HB GLU 23 -1.934 12.140 5.135 153 HB3 GLU 23 1HB GLU 23 -1.998 10.403 4.835 154 HG2 GLU 23 2HG GLU 23 -3.911 10.992 3.170 155 HG3 GLU 23 1HG GLU 23 -3.268 12.632 3.260 156 H ILE 24 H ILE 24 -6.049 10.522 4.834 157 HA ILE 24 HA ILE 24 -5.705 7.677 5.551 158 HB ILE 24 HB ILE 24 -8.244 9.197 4.914 159 HG12 ILE 24 2HG1 ILE 24 -8.386 8.448 7.542 160 HG13 ILE 24 1HG1 ILE 24 -6.667 8.810 7.386 161 HG21 ILE 24 1HG2 ILE 24 -7.697 6.401 5.952 162 HG22 ILE 24 2HG2 ILE 24 -8.461 6.832 4.422 163 HG23 ILE 24 3HG2 ILE 24 -9.291 7.156 5.943 164 HD11 ILE 24 1HD1 ILE 24 -7.391 10.992 6.246 165 HD12 ILE 24 2HD1 ILE 24 -7.683 10.879 7.982 166 HD13 ILE 24 3HD1 ILE 24 -9.010 10.640 6.846 167 H THR 25 H THR 25 -5.655 6.148 4.010 168 HA THR 25 HA THR 25 -6.616 6.762 1.311 169 HB THR 25 HB THR 25 -3.784 5.882 1.919 170 HG1 THR 25 1HG THR 25 -4.959 8.253 1.514 171 HG21 THR 25 1HG2 THR 25 -3.850 6.326 -0.747 172 HG22 THR 25 2HG2 THR 25 -5.491 5.724 -0.505 173 HG23 THR 25 3HG2 THR 25 -4.108 4.734 -0.031 174 H GLY 26 H GLY 26 -7.571 5.046 0.385 175 HA2 GLY 26 2HA GLY 26 -6.911 2.340 1.330 176 HA3 GLY 26 1HA GLY 26 -8.584 2.879 1.425 177 H GLY 27 H GLY 27 -7.574 0.664 -0.120 178 HA2 GLY 27 2HA GLY 27 -8.887 1.181 -2.594 179 HA3 GLY 27 1HA GLY 27 -7.141 1.140 -2.818 180 H ALA 28 H ALA 28 -7.288 -0.749 -4.096 181 HA ALA 28 HA ALA 28 -7.633 -3.205 -2.502 182 HB1 ALA 28 1HB ALA 28 -8.549 -4.148 -4.796 183 HB2 ALA 28 2HB ALA 28 -9.012 -2.466 -5.049 184 HB3 ALA 28 3HB ALA 28 -9.630 -3.350 -3.653 185 H THR 29 H THR 29 -6.320 -4.934 -3.126 186 HA THR 29 HA THR 29 -4.051 -4.164 -4.841 187 HB THR 29 HB THR 29 -3.965 -6.645 -3.205 188 HG1 THR 29 1HG THR 29 -4.962 -5.090 -1.845 189 HG21 THR 29 1HG2 THR 29 -1.949 -4.416 -3.320 190 HG22 THR 29 2HG2 THR 29 -2.125 -5.523 -4.682 191 HG23 THR 29 3HG2 THR 29 -1.681 -6.146 -3.093 192 H TYR 30 H TYR 30 -3.887 -5.014 -6.805 193 HA TYR 30 HA TYR 30 -5.503 -7.393 -7.460 194 HB2 TYR 30 2HB TYR 30 -4.162 -5.547 -9.433 195 HB3 TYR 30 1HB TYR 30 -5.499 -6.661 -9.714 196 HD1 TYR 30 1HD TYR 30 -7.745 -5.981 -9.389 197 HD2 TYR 30 2HD TYR 30 -4.535 -3.562 -7.872 198 HE1 TYR 30 1HE TYR 30 -9.362 -4.184 -8.834 199 HE2 TYR 30 2HE TYR 30 -6.150 -1.765 -7.318 200 HH TYR 30 HH TYR 30 -9.642 -2.183 -7.921 201 H GLN 31 H GLN 31 -4.396 -9.241 -7.350 202 HA GLN 31 HA GLN 31 -1.509 -9.249 -7.838 203 HB2 GLN 31 2HB GLN 31 -2.923 -10.519 -5.948 204 HB3 GLN 31 1HB GLN 31 -2.971 -11.759 -7.202 205 HG2 GLN 31 2HG GLN 31 -0.407 -11.285 -7.409 206 HG3 GLN 31 1HG GLN 31 -0.584 -10.581 -5.803 207 HE21 GLN 31 1HE2 GLN 31 0.717 -13.211 -6.798 208 HE22 GLN 31 2HE2 GLN 31 0.033 -14.395 -5.791 209 H LEU 32 H LEU 32 -0.967 -9.350 -9.931 210 HA LEU 32 HA LEU 32 -2.579 -10.961 -11.778 211 HB2 LEU 32 2HB LEU 32 -0.274 -9.064 -12.292 212 HB3 LEU 32 1HB LEU 32 -1.216 -9.888 -13.535 213 HG LEU 32 HG LEU 32 -3.066 -8.645 -11.769 214 HD11 LEU 32 1HD1 LEU 32 -2.401 -6.306 -11.890 215 HD12 LEU 32 2HD1 LEU 32 -0.944 -6.733 -12.789 216 HD13 LEU 32 3HD1 LEU 32 -1.114 -7.220 -11.102 217 HD21 LEU 32 1HD2 LEU 32 -2.139 -7.993 -14.585 218 HD22 LEU 32 2HD2 LEU 32 -3.600 -7.342 -13.841 219 HD23 LEU 32 3HD2 LEU 32 -3.459 -9.074 -14.139 220 H SER 33 H SER 33 0.648 -10.768 -10.376 221 HA SER 33 HA SER 33 1.111 -13.553 -11.090 222 HB2 SER 33 2HB SER 33 2.263 -11.406 -12.600 223 HB3 SER 33 1HB SER 33 3.542 -12.241 -11.722 224 HG SER 33 HG SER 33 2.216 -13.032 -13.890 225 HA PRO 34 HA PRO 34 3.238 -13.571 -7.240 226 HB2 PRO 34 2HB PRO 34 5.293 -15.326 -7.675 227 HB3 PRO 34 1HB PRO 34 3.600 -15.828 -7.510 228 HG2 PRO 34 2HG PRO 34 5.239 -15.480 -9.967 229 HG3 PRO 34 1HG PRO 34 4.032 -16.717 -9.579 230 HD2 PRO 34 2HD PRO 34 3.506 -14.570 -11.202 231 HD3 PRO 34 1HD PRO 34 2.262 -15.386 -10.229 232 H TYR 35 H TYR 35 4.747 -12.347 -10.006 233 HA TYR 35 HA TYR 35 7.304 -11.720 -8.818 234 HB2 TYR 35 2HB TYR 35 6.015 -11.412 -11.443 235 HB3 TYR 35 1HB TYR 35 7.093 -10.087 -11.006 236 HD1 TYR 35 1HD TYR 35 6.931 -13.831 -11.046 237 HD2 TYR 35 2HD TYR 35 9.409 -10.330 -11.286 238 HE1 TYR 35 1HE TYR 35 8.895 -15.255 -11.559 239 HE2 TYR 35 2HE TYR 35 11.373 -11.755 -11.798 240 HH TYR 35 HH TYR 35 11.266 -14.700 -12.902 241 H ILE 36 H ILE 36 5.255 -9.350 -10.437 242 HA ILE 36 HA ILE 36 5.602 -7.559 -8.110 243 HB ILE 36 HB ILE 36 6.615 -6.843 -10.290 244 HG12 ILE 36 2HG1 ILE 36 4.304 -5.099 -9.389 245 HG13 ILE 36 1HG1 ILE 36 5.817 -5.253 -8.497 246 HG21 ILE 36 1HG2 ILE 36 4.563 -7.878 -11.550 247 HG22 ILE 36 2HG2 ILE 36 5.294 -6.398 -12.173 248 HG23 ILE 36 3HG2 ILE 36 3.806 -6.316 -11.229 249 HD11 ILE 36 1HD1 ILE 36 7.073 -4.436 -10.441 250 HD12 ILE 36 2HD1 ILE 36 5.829 -3.269 -9.990 251 HD13 ILE 36 3HD1 ILE 36 5.581 -4.331 -11.376 252 H MET 37 H MET 37 3.859 -6.416 -7.302 253 HA MET 37 HA MET 37 1.209 -7.437 -8.112 254 HB2 MET 37 2HB MET 37 0.455 -6.834 -5.883 255 HB3 MET 37 1HB MET 37 1.907 -7.827 -5.752 256 HG2 MET 37 2HG MET 37 2.969 -5.298 -5.922 257 HG3 MET 37 1HG MET 37 1.491 -5.012 -5.006 258 HE1 MET 37 1HE MET 37 1.332 -5.845 -2.204 259 HE2 MET 37 2HE MET 37 1.582 -7.588 -2.260 260 HE3 MET 37 3HE MET 37 0.647 -6.800 -3.528 261 H VAL 38 H VAL 38 -0.597 -5.808 -7.702 262 HA VAL 38 HA VAL 38 0.241 -3.075 -8.445 263 HB VAL 38 HB VAL 38 -1.974 -4.696 -9.720 264 HG11 VAL 38 1HG1 VAL 38 -2.775 -2.454 -9.524 265 HG12 VAL 38 2HG1 VAL 38 -2.145 -2.592 -11.165 266 HG13 VAL 38 3HG1 VAL 38 -1.195 -1.780 -9.920 267 HG21 VAL 38 1HG2 VAL 38 -0.594 -4.165 -11.790 268 HG22 VAL 38 2HG2 VAL 38 0.157 -5.290 -10.661 269 HG23 VAL 38 3HG2 VAL 38 0.675 -3.604 -10.702 270 H LYS 39 H LYS 39 -1.048 -1.417 -7.661 271 HA LYS 39 HA LYS 39 -3.445 -2.081 -6.129 272 HB2 LYS 39 2HB LYS 39 -2.529 -0.715 -4.178 273 HB3 LYS 39 1HB LYS 39 -1.847 -2.329 -4.389 274 HG2 LYS 39 2HG LYS 39 0.155 -1.488 -5.330 275 HG3 LYS 39 1HG LYS 39 -0.562 0.093 -5.649 276 HD2 LYS 39 2HD LYS 39 -0.756 0.476 -3.201 277 HD3 LYS 39 1HD LYS 39 0.034 -1.075 -2.915 278 HE2 LYS 39 2HE LYS 39 1.867 0.343 -2.816 279 HE3 LYS 39 1HE LYS 39 1.874 -0.060 -4.533 280 HZ1 LYS 39 1HZ LYS 39 0.262 1.985 -4.634 281 HZ2 LYS 39 2HZ LYS 39 1.949 2.195 -4.647 282 HZ3 LYS 39 3HZ LYS 39 1.073 2.425 -3.209 283 H ALA 40 H ALA 40 -4.819 -0.316 -5.793 284 HA ALA 40 HA ALA 40 -4.010 2.342 -6.635 285 HB1 ALA 40 1HB ALA 40 -4.548 1.325 -8.790 286 HB2 ALA 40 2HB ALA 40 -5.776 2.517 -8.361 287 HB3 ALA 40 3HB ALA 40 -6.113 0.798 -8.171 288 H GLY 41 H GLY 41 -5.124 3.855 -5.539 289 HA2 GLY 41 2HA GLY 41 -7.828 3.370 -4.603 290 HA3 GLY 41 1HA GLY 41 -6.615 3.460 -3.328 291 H TYR 42 H TYR 42 -8.032 5.329 -2.705 292 HA TYR 42 HA TYR 42 -7.026 7.784 -4.000 293 HB2 TYR 42 2HB TYR 42 -9.537 8.474 -3.045 294 HB3 TYR 42 1HB TYR 42 -9.113 8.193 -4.734 295 HD1 TYR 42 1HD TYR 42 -10.073 6.317 -1.632 296 HD2 TYR 42 2HD TYR 42 -10.216 6.502 -5.922 297 HE1 TYR 42 1HE TYR 42 -11.549 4.325 -1.669 298 HE2 TYR 42 2HE TYR 42 -11.693 4.510 -5.958 299 HH TYR 42 HH TYR 42 -12.297 2.620 -3.095 300 H GLY 43 H GLY 43 -6.596 9.484 -2.630 301 HA2 GLY 43 2HA GLY 43 -6.694 8.854 0.258 302 HA3 GLY 43 1HA GLY 43 -5.481 9.879 -0.505 303 H TRP 44 H TRP 44 -7.452 10.375 1.707 304 HA TRP 44 HA TRP 44 -8.568 12.872 0.603 305 HB2 TRP 44 2HB TRP 44 -10.485 11.477 0.712 306 HB3 TRP 44 1HB TRP 44 -10.001 10.805 2.269 307 HD1 TRP 44 HD TRP 44 -10.496 14.430 0.978 308 HE1 TRP 44 1HE TRP 44 -11.906 15.707 2.718 309 HE3 TRP 44 3HE TRP 44 -11.264 10.713 4.394 310 HZ2 TRP 44 2HZ TRP 44 -13.189 15.218 5.228 311 HZ3 TRP 44 3HZ TRP 44 -12.581 11.145 6.448 312 HH2 TRP 44 HH TRP 44 -13.544 13.391 6.869 313 H ASN 45 H ASN 45 -8.669 14.600 2.054 314 HA ASN 45 HA ASN 45 -7.966 14.314 4.824 315 HB2 ASN 45 2HB ASN 45 -5.750 14.051 3.622 316 HB3 ASN 45 1HB ASN 45 -5.940 15.716 3.075 317 HD21 ASN 45 1HD2 ASN 45 -4.012 16.301 4.389 318 HD22 ASN 45 2HD2 ASN 45 -4.157 16.473 6.071 319 H ASN 46 H ASN 46 -9.953 15.578 2.979 320 HA ASN 46 HA ASN 46 -11.184 17.514 2.854 321 HB2 ASN 46 2HB ASN 46 -11.074 17.211 5.352 322 HB3 ASN 46 1HB ASN 46 -9.697 18.312 5.362 323 HD21 ASN 46 1HD2 ASN 46 -12.565 18.628 6.432 324 HD22 ASN 46 2HD2 ASN 46 -13.096 20.087 5.747 325 H SER 47 H SER 47 -10.225 18.309 0.965 326 HA SER 47 HA SER 47 -8.608 20.709 1.368 327 HB2 SER 47 2HB SER 47 -6.908 19.001 1.026 328 HB3 SER 47 1HB SER 47 -7.741 18.421 -0.414 329 HG SER 47 HG SER 47 -7.385 21.055 -0.619 330 H SER 48 H SER 48 -8.126 20.089 -1.723 331 HA SER 48 HA SER 48 -10.540 21.543 -2.556 332 HB2 SER 48 2HB SER 48 -8.473 22.592 -3.223 333 HB3 SER 48 1HB SER 48 -7.872 21.085 -3.907 334 HG SER 48 HG SER 48 -9.122 22.895 -5.202 335 H LEU 49 H LEU 49 -8.589 19.545 -4.673 336 HA LEU 49 HA LEU 49 -10.976 18.175 -5.600 337 HB2 LEU 49 2HB LEU 49 -8.250 18.633 -6.582 338 HB3 LEU 49 1HB LEU 49 -8.868 17.018 -6.925 339 HG LEU 49 HG LEU 49 -10.862 17.960 -7.968 340 HD11 LEU 49 1HD1 LEU 49 -10.408 20.659 -8.281 341 HD12 LEU 49 2HD1 LEU 49 -9.881 20.384 -6.620 342 HD13 LEU 49 3HD1 LEU 49 -11.520 19.955 -7.109 343 HD21 LEU 49 1HD2 LEU 49 -9.818 18.472 -9.946 344 HD22 LEU 49 2HD2 LEU 49 -8.383 17.962 -9.059 345 HD23 LEU 49 3HD2 LEU 49 -8.769 19.677 -9.197 346 H ASN 50 H ASN 50 -7.790 16.690 -5.167 347 HA ASN 50 HA ASN 50 -8.227 15.126 -2.932 348 HB2 ASN 50 2HB ASN 50 -9.753 14.208 -5.266 349 HB3 ASN 50 1HB ASN 50 -8.741 12.961 -4.539 350 HD21 ASN 50 1HD2 ASN 50 -8.855 13.447 -1.846 351 HD22 ASN 50 2HD2 ASN 50 -10.457 13.414 -1.287 352 H ARG 51 H ARG 51 -7.016 12.882 -3.176 353 HA ARG 51 HA ARG 51 -4.607 13.334 -4.836 354 HB2 ARG 51 2HB ARG 51 -4.804 13.221 -2.009 355 HB3 ARG 51 1HB ARG 51 -4.020 11.731 -2.533 356 HG2 ARG 51 2HG ARG 51 -2.456 13.106 -3.927 357 HG3 ARG 51 1HG ARG 51 -3.180 14.558 -3.235 358 HD2 ARG 51 2HD ARG 51 -2.649 13.337 -0.947 359 HD3 ARG 51 1HD ARG 51 -1.454 12.490 -1.925 360 HE ARG 51 HE ARG 51 -1.332 15.331 -2.309 361 HH11 ARG 51 1HH1 ARG 51 0.476 16.392 -1.432 362 HH12 ARG 51 2HH1 ARG 51 1.443 15.599 -0.235 363 HH21 ARG 51 1HH2 ARG 51 -0.473 12.708 -0.221 364 HH22 ARG 51 2HH2 ARG 51 0.906 13.512 0.450 365 H PHE 52 H PHE 52 -4.335 11.787 -6.300 366 HA PHE 52 HA PHE 52 -5.619 9.171 -5.873 367 HB2 PHE 52 2HB PHE 52 -5.617 10.823 -8.068 368 HB3 PHE 52 1HB PHE 52 -4.341 9.673 -8.469 369 HD1 PHE 52 1HD PHE 52 -4.873 7.497 -9.204 370 HD2 PHE 52 2HD PHE 52 -7.875 9.879 -7.267 371 HE1 PHE 52 1HE PHE 52 -6.584 5.789 -9.757 372 HE2 PHE 52 2HE PHE 52 -9.586 8.171 -7.817 373 HZ PHE 52 HZ PHE 52 -8.942 6.127 -9.063 374 H GLU 53 H GLU 53 -4.454 7.227 -6.240 375 HA GLU 53 HA GLU 53 -1.524 7.457 -6.361 376 HB2 GLU 53 2HB GLU 53 -1.867 7.314 -4.013 377 HB3 GLU 53 1HB GLU 53 -3.115 6.082 -4.196 378 HG2 GLU 53 2HG GLU 53 -1.592 4.394 -4.586 379 HG3 GLU 53 1HG GLU 53 -0.410 5.485 -5.307 380 H PHE 54 H PHE 54 -0.594 5.920 -7.597 381 HA PHE 54 HA PHE 54 -1.874 3.358 -8.045 382 HB2 PHE 54 2HB PHE 54 -3.065 4.185 -9.804 383 HB3 PHE 54 1HB PHE 54 -1.976 5.552 -10.038 384 HD1 PHE 54 1HD PHE 54 -1.904 1.801 -10.240 385 HD2 PHE 54 2HD PHE 54 -0.623 5.534 -11.941 386 HE1 PHE 54 1HE PHE 54 -0.771 0.577 -12.074 387 HE2 PHE 54 2HE PHE 54 0.509 4.309 -13.775 388 HZ PHE 54 HZ PHE 54 0.435 1.831 -13.843 389 H GLY 55 H GLY 55 -0.232 1.985 -7.864 390 HA2 GLY 55 2HA GLY 55 2.117 2.239 -9.520 391 HA3 GLY 55 1HA GLY 55 2.447 2.472 -7.805 392 H GLY 56 H GLY 56 3.688 0.596 -7.615 393 HA2 GLY 56 2HA GLY 56 2.113 -1.891 -7.536 394 HA3 GLY 56 1HA GLY 56 3.646 -1.876 -8.402 395 H GLY 57 H GLY 57 3.553 -3.671 -6.481 396 HA2 GLY 57 2HA GLY 57 5.185 -2.502 -4.310 397 HA3 GLY 57 1HA GLY 57 3.903 -3.653 -3.948 398 H LEU 58 H LEU 58 6.420 -4.252 -3.128 399 HA LEU 58 HA LEU 58 7.131 -6.504 -4.897 400 HB2 LEU 58 2HB LEU 58 8.726 -4.240 -4.546 401 HB3 LEU 58 1HB LEU 58 9.434 -5.452 -3.476 402 HG LEU 58 HG LEU 58 8.803 -5.839 -6.418 403 HD11 LEU 58 1HD1 LEU 58 10.745 -4.474 -6.261 404 HD12 LEU 58 2HD1 LEU 58 11.359 -6.114 -6.469 405 HD13 LEU 58 3HD1 LEU 58 11.358 -5.369 -4.870 406 HD21 LEU 58 1HD2 LEU 58 8.721 -8.021 -5.786 407 HD22 LEU 58 2HD2 LEU 58 9.421 -7.682 -4.203 408 HD23 LEU 58 3HD2 LEU 58 10.470 -7.879 -5.608 409 H GLN 59 H GLN 59 7.320 -8.394 -3.863 410 HA GLN 59 HA GLN 59 7.969 -8.478 -1.017 411 HB2 GLN 59 2HB GLN 59 5.942 -10.118 -0.776 412 HB3 GLN 59 1HB GLN 59 5.668 -8.378 -0.674 413 HG2 GLN 59 2HG GLN 59 4.026 -9.502 -2.167 414 HG3 GLN 59 1HG GLN 59 4.999 -8.311 -3.026 415 HE21 GLN 59 1HE2 GLN 59 4.954 -11.844 -2.300 416 HE22 GLN 59 2HE2 GLN 59 5.647 -12.302 -3.781 417 H TYR 60 H TYR 60 8.273 -10.751 -0.265 418 HA TYR 60 HA TYR 60 8.963 -12.588 -2.475 419 HB2 TYR 60 2HB TYR 60 10.749 -11.347 -0.535 420 HB3 TYR 60 1HB TYR 60 10.838 -13.109 -0.496 421 HD1 TYR 60 1HD TYR 60 12.115 -14.242 -2.104 422 HD2 TYR 60 2HD TYR 60 10.784 -10.237 -2.903 423 HE1 TYR 60 1HE TYR 60 13.437 -14.221 -4.200 424 HE2 TYR 60 2HE TYR 60 12.108 -10.216 -5.000 425 HH TYR 60 HH TYR 60 14.431 -12.645 -5.730 426 H LYS 61 H LYS 61 9.094 -14.835 -1.836 427 HA LYS 61 HA LYS 61 7.481 -15.448 0.572 428 HB2 LYS 61 2HB LYS 61 7.513 -17.033 -2.002 429 HB3 LYS 61 1HB LYS 61 6.434 -17.247 -0.623 430 HG2 LYS 61 2HG LYS 61 5.464 -15.026 -1.010 431 HG3 LYS 61 1HG LYS 61 6.571 -14.765 -2.360 432 HD2 LYS 61 2HD LYS 61 5.595 -16.690 -3.545 433 HD3 LYS 61 1HD LYS 61 4.494 -16.969 -2.195 434 HE2 LYS 61 2HE LYS 61 3.251 -15.042 -2.635 435 HE3 LYS 61 1HE LYS 61 4.574 -14.267 -3.507 436 HZ1 LYS 61 1HZ LYS 61 4.223 -16.336 -5.070 437 HZ2 LYS 61 2HZ LYS 61 3.299 -14.920 -5.247 438 HZ3 LYS 61 3HZ LYS 61 2.652 -16.265 -4.434 439 H VAL 62 H VAL 62 9.205 -15.904 1.917 440 HA VAL 62 HA VAL 62 10.738 -18.334 1.216 441 HB VAL 62 HB VAL 62 11.933 -16.176 2.927 442 HG11 VAL 62 1HG1 VAL 62 13.910 -17.316 2.555 443 HG12 VAL 62 2HG1 VAL 62 13.402 -17.892 0.967 444 HG13 VAL 62 3HG1 VAL 62 12.772 -18.659 2.426 445 HG21 VAL 62 1HG2 VAL 62 13.043 -15.341 0.815 446 HG22 VAL 62 2HG2 VAL 62 11.319 -14.985 0.911 447 HG23 VAL 62 3HG2 VAL 62 11.890 -16.311 -0.103 448 H THR 63 H THR 63 8.575 -16.859 3.274 449 HA THR 63 HA THR 63 8.894 -18.969 5.260 450 HB THR 63 HB THR 63 8.398 -16.746 6.847 451 HG1 THR 63 1HG THR 63 9.047 -15.521 4.947 452 HG21 THR 63 1HG2 THR 63 11.083 -18.017 6.231 453 HG22 THR 63 2HG2 THR 63 9.892 -18.678 7.350 454 HG23 THR 63 3HG2 THR 63 10.665 -17.133 7.698 455 HA PRO 64 HA PRO 64 4.490 -19.168 5.395 456 HB2 PRO 64 2HB PRO 64 4.568 -18.046 8.173 457 HB3 PRO 64 1HB PRO 64 3.686 -19.455 7.552 458 HG2 PRO 64 2HG PRO 64 5.937 -19.721 8.956 459 HG3 PRO 64 1HG PRO 64 5.530 -20.812 7.622 460 HD2 PRO 64 2HD PRO 64 7.605 -18.706 7.744 461 HD3 PRO 64 1HD PRO 64 7.519 -20.143 6.706 462 H ASP 65 H ASP 65 6.176 -16.254 6.035 463 HA ASP 65 HA ASP 65 4.813 -14.502 4.528 464 HB2 ASP 65 2HB ASP 65 3.227 -15.046 6.976 465 HB3 ASP 65 1HB ASP 65 3.427 -13.352 6.552 466 H LEU 66 H LEU 66 7.143 -14.055 4.713 467 HA LEU 66 HA LEU 66 7.584 -11.788 6.468 468 HB2 LEU 66 2HB LEU 66 8.301 -14.127 7.581 469 HB3 LEU 66 1HB LEU 66 9.755 -13.811 6.637 470 HG LEU 66 HG LEU 66 9.566 -11.399 7.655 471 HD11 LEU 66 1HD1 LEU 66 8.404 -12.807 10.012 472 HD12 LEU 66 2HD1 LEU 66 7.286 -12.338 8.731 473 HD13 LEU 66 3HD1 LEU 66 8.271 -11.114 9.535 474 HD21 LEU 66 1HD2 LEU 66 10.459 -13.880 9.147 475 HD22 LEU 66 2HD2 LEU 66 10.821 -12.247 9.704 476 HD23 LEU 66 3HD2 LEU 66 11.445 -12.810 8.152 477 H GLU 67 H GLU 67 8.132 -10.392 4.890 478 HA GLU 67 HA GLU 67 10.602 -10.818 3.463 479 HB2 GLU 67 2HB GLU 67 9.357 -10.351 1.218 480 HB3 GLU 67 1HB GLU 67 9.372 -11.993 1.855 481 HG2 GLU 67 2HG GLU 67 7.161 -10.088 2.601 482 HG3 GLU 67 1HG GLU 67 7.100 -10.960 1.073 483 HA PRO 68 HA PRO 68 10.624 -6.402 3.761 484 HB2 PRO 68 2HB PRO 68 12.002 -5.730 1.450 485 HB3 PRO 68 1HB PRO 68 12.764 -6.264 2.958 486 HG2 PRO 68 2HG PRO 68 12.194 -7.795 0.479 487 HG3 PRO 68 1HG PRO 68 13.574 -7.902 1.585 488 HD2 PRO 68 2HD PRO 68 11.563 -9.733 1.592 489 HD3 PRO 68 1HD PRO 68 12.457 -9.296 3.064 490 H TYR 69 H TYR 69 9.662 -4.494 2.861 491 HA TYR 69 HA TYR 69 7.774 -5.031 0.643 492 HB2 TYR 69 2HB TYR 69 6.922 -4.608 3.087 493 HB3 TYR 69 1HB TYR 69 7.269 -2.922 2.706 494 HD1 TYR 69 1HD TYR 69 5.616 -5.930 1.187 495 HD2 TYR 69 2HD TYR 69 5.610 -1.658 1.645 496 HE1 TYR 69 1HE TYR 69 3.507 -5.792 -0.110 497 HE2 TYR 69 2HE TYR 69 3.501 -1.522 0.349 498 HH TYR 69 HH TYR 69 2.263 -2.829 -1.288 499 H ALA 70 H ALA 70 7.845 -3.730 -1.071 500 HA ALA 70 HA ALA 70 9.116 -1.091 -0.840 501 HB1 ALA 70 1HB ALA 70 10.340 -1.566 -3.003 502 HB2 ALA 70 2HB ALA 70 9.924 -3.264 -2.778 503 HB3 ALA 70 3HB ALA 70 10.944 -2.443 -1.597 504 H TRP 71 H TRP 71 7.822 0.384 -1.723 505 HA TRP 71 HA TRP 71 6.181 -0.374 -4.056 506 HB2 TRP 71 2HB TRP 71 4.203 0.366 -3.127 507 HB3 TRP 71 1HB TRP 71 4.993 -0.289 -1.693 508 HD1 TRP 71 HD TRP 71 5.952 1.414 0.087 509 HE1 TRP 71 1HE TRP 71 5.529 3.924 0.492 510 HE3 TRP 71 3HE TRP 71 3.690 2.648 -4.322 511 HZ2 TRP 71 2HZ TRP 71 4.383 6.160 -0.876 512 HZ3 TRP 71 3HZ TRP 71 2.943 4.972 -4.744 513 HH2 TRP 71 HH TRP 71 3.286 6.729 -3.028 514 H ALA 72 H ALA 72 5.753 1.273 -5.511 515 HA ALA 72 HA ALA 72 6.539 3.999 -5.000 516 HB1 ALA 72 1HB ALA 72 8.253 2.182 -6.678 517 HB2 ALA 72 2HB ALA 72 8.749 3.341 -5.444 518 HB3 ALA 72 3HB ALA 72 8.174 3.912 -7.012 519 H GLY 73 H GLY 73 5.650 5.411 -6.488 520 HA2 GLY 73 2HA GLY 73 4.734 4.659 -9.069 521 HA3 GLY 73 1HA GLY 73 3.398 4.617 -7.924 522 H ALA 74 H ALA 74 2.491 6.331 -9.264 523 HA ALA 74 HA ALA 74 3.690 8.981 -8.711 524 HB1 ALA 74 1HB ALA 74 3.626 8.572 -11.086 525 HB2 ALA 74 2HB ALA 74 2.366 9.743 -10.699 526 HB3 ALA 74 3HB ALA 74 1.942 8.058 -10.999 527 H THR 75 H THR 75 2.246 10.708 -8.201 528 HA THR 75 HA THR 75 -0.460 9.906 -7.370 529 HB THR 75 HB THR 75 1.689 11.099 -5.644 530 HG1 THR 75 1HG THR 75 -0.273 9.413 -4.693 531 HG21 THR 75 1HG2 THR 75 -0.317 11.523 -4.038 532 HG22 THR 75 2HG2 THR 75 -1.281 11.555 -5.514 533 HG23 THR 75 3HG2 THR 75 0.026 12.716 -5.291 534 H TYR 76 H TYR 76 -1.973 11.348 -7.927 535 HA TYR 76 HA TYR 76 -1.084 13.897 -9.080 536 HB2 TYR 76 2HB TYR 76 -3.683 12.365 -9.243 537 HB3 TYR 76 1HB TYR 76 -3.477 13.987 -9.903 538 HD1 TYR 76 1HD TYR 76 -3.098 10.502 -10.544 539 HD2 TYR 76 2HD TYR 76 -1.437 14.347 -11.495 540 HE1 TYR 76 1HE TYR 76 -2.052 9.545 -12.579 541 HE2 TYR 76 2HE TYR 76 -0.391 13.391 -13.530 542 HH TYR 76 HH TYR 76 0.335 10.643 -14.106 543 H ASN 77 H ASN 77 -0.935 15.485 -7.615 544 HA ASN 77 HA ASN 77 -2.421 15.595 -5.198 545 HB2 ASN 77 2HB ASN 77 -0.192 16.852 -6.125 546 HB3 ASN 77 1HB ASN 77 -1.386 18.142 -6.268 547 HD21 ASN 77 1HD2 ASN 77 -3.045 17.552 -4.040 548 HD22 ASN 77 2HD2 ASN 77 -2.138 17.747 -2.617 549 H THR 78 H THR 78 -4.101 17.007 -4.590 550 HA THR 78 HA THR 78 -6.293 17.212 -6.231 551 HB THR 78 HB THR 78 -7.261 18.277 -4.479 552 HG1 THR 78 1HG THR 78 -5.013 19.980 -4.624 553 HG21 THR 78 1HG2 THR 78 -6.141 17.912 -2.403 554 HG22 THR 78 2HG2 THR 78 -4.552 18.048 -3.157 555 HG23 THR 78 3HG2 THR 78 -5.568 16.645 -3.489 556 H ASP 79 H ASP 79 -3.523 19.322 -6.048 557 HA ASP 79 HA ASP 79 -4.665 21.471 -7.569 558 HB2 ASP 79 2HB ASP 79 -2.203 20.932 -6.193 559 HB3 ASP 79 1HB ASP 79 -1.846 21.499 -7.824 560 H ASN 80 H ASN 80 -4.531 18.546 -8.574 561 HA ASN 80 HA ASN 80 -4.282 17.472 -10.590 562 HB2 ASN 80 2HB ASN 80 -4.134 20.236 -11.799 563 HB3 ASN 80 1HB ASN 80 -4.708 18.751 -12.557 564 HD21 ASN 80 1HD2 ASN 80 -6.704 20.284 -12.877 565 HD22 ASN 80 2HD2 ASN 80 -7.857 20.281 -11.633 566 H THR 81 H THR 81 -1.916 18.297 -9.020 567 HA THR 81 HA THR 81 0.092 18.567 -11.171 568 HB THR 81 HB THR 81 0.369 19.007 -8.188 569 HG1 THR 81 1HG THR 81 -0.846 20.537 -9.607 570 HG21 THR 81 1HG2 THR 81 2.505 18.370 -8.926 571 HG22 THR 81 2HG2 THR 81 2.544 20.127 -9.076 572 HG23 THR 81 3HG2 THR 81 2.286 19.125 -10.505 573 H LEU 82 H LEU 82 2.029 17.260 -11.020 574 HA LEU 82 HA LEU 82 1.406 14.526 -10.243 575 HB2 LEU 82 2HB LEU 82 3.665 14.071 -11.303 576 HB3 LEU 82 1HB LEU 82 2.449 14.762 -12.379 577 HG LEU 82 HG LEU 82 3.925 16.846 -10.992 578 HD11 LEU 82 1HD1 LEU 82 5.791 15.324 -10.954 579 HD12 LEU 82 2HD1 LEU 82 6.061 16.441 -12.291 580 HD13 LEU 82 3HD1 LEU 82 5.476 14.809 -12.611 581 HD21 LEU 82 1HD2 LEU 82 3.669 16.097 -13.924 582 HD22 LEU 82 2HD2 LEU 82 4.205 17.657 -13.301 583 HD23 LEU 82 3HD2 LEU 82 2.544 17.127 -13.037 584 H VAL 83 H VAL 83 2.619 13.278 -8.800 585 HA VAL 83 HA VAL 83 4.659 14.609 -7.175 586 HB VAL 83 HB VAL 83 2.177 13.373 -5.967 587 HG11 VAL 83 1HG1 VAL 83 4.119 12.998 -4.567 588 HG12 VAL 83 2HG1 VAL 83 3.179 14.311 -3.857 589 HG13 VAL 83 3HG1 VAL 83 4.643 14.669 -4.771 590 HG21 VAL 83 1HG2 VAL 83 1.866 15.760 -5.137 591 HG22 VAL 83 2HG2 VAL 83 1.596 15.524 -6.864 592 HG23 VAL 83 3HG2 VAL 83 3.106 16.237 -6.296 593 HA PRO 84 HA PRO 84 5.529 10.136 -7.834 594 HB2 PRO 84 2HB PRO 84 8.074 10.393 -8.739 595 HB3 PRO 84 1HB PRO 84 6.660 10.583 -9.794 596 HG2 PRO 84 2HG PRO 84 8.454 12.634 -8.650 597 HG3 PRO 84 1HG PRO 84 7.560 12.633 -10.178 598 HD2 PRO 84 2HD PRO 84 6.804 13.979 -7.819 599 HD3 PRO 84 1HD PRO 84 5.773 13.695 -9.236 600 H ALA 85 H ALA 85 6.259 8.860 -6.216 601 HA ALA 85 HA ALA 85 8.551 9.668 -4.605 602 HB1 ALA 85 1HB ALA 85 6.077 8.912 -3.097 603 HB2 ALA 85 2HB ALA 85 6.276 10.578 -3.641 604 HB3 ALA 85 3HB ALA 85 7.469 9.853 -2.564 605 H ALA 86 H ALA 86 8.885 7.907 -2.826 606 HA ALA 86 HA ALA 86 7.930 5.264 -3.546 607 HB1 ALA 86 1HB ALA 86 9.717 5.476 -5.165 608 HB2 ALA 86 2HB ALA 86 10.243 4.376 -3.891 609 HB3 ALA 86 3HB ALA 86 10.831 6.038 -3.920 610 H GLY 87 H GLY 87 8.056 3.857 -1.852 611 HA2 GLY 87 2HA GLY 87 9.666 4.638 0.492 612 HA3 GLY 87 1HA GLY 87 7.946 4.315 0.689 613 H ALA 88 H ALA 88 10.020 2.884 2.004 614 HA ALA 88 HA ALA 88 9.351 0.188 1.110 615 HB1 ALA 88 1HB ALA 88 11.914 -0.329 1.506 616 HB2 ALA 88 2HB ALA 88 12.098 1.358 1.028 617 HB3 ALA 88 3HB ALA 88 11.334 0.208 -0.070 618 H GLY 89 H GLY 89 9.342 -1.303 2.757 619 HA2 GLY 89 2HA GLY 89 10.491 -0.633 5.350 620 HA3 GLY 89 1HA GLY 89 8.733 -0.722 5.298 621 H PHE 90 H PHE 90 8.064 -2.597 6.119 622 HA PHE 90 HA PHE 90 9.229 -5.085 5.099 623 HB2 PHE 90 2HB PHE 90 8.705 -5.108 8.005 624 HB3 PHE 90 1HB PHE 90 10.002 -5.869 7.084 625 HD1 PHE 90 1HD PHE 90 12.079 -4.713 6.632 626 HD2 PHE 90 2HD PHE 90 8.858 -2.729 8.665 627 HE1 PHE 90 1HE PHE 90 13.614 -2.870 7.264 628 HE2 PHE 90 2HE PHE 90 10.393 -0.885 9.298 629 HZ PHE 90 HZ PHE 90 12.770 -0.956 8.597 630 H ARG 91 H ARG 91 7.892 -6.986 5.677 631 HA ARG 91 HA ARG 91 5.082 -6.296 6.255 632 HB2 ARG 91 2HB ARG 91 5.974 -6.876 3.712 633 HB3 ARG 91 1HB ARG 91 5.406 -8.443 4.291 634 HG2 ARG 91 2HG ARG 91 3.290 -7.233 5.066 635 HG3 ARG 91 1HG ARG 91 3.851 -5.855 4.117 636 HD2 ARG 91 2HD ARG 91 3.938 -7.286 2.102 637 HD3 ARG 91 1HD ARG 91 3.358 -8.651 3.052 638 HE ARG 91 HE ARG 91 1.455 -6.735 3.459 639 HH11 ARG 91 1HH1 ARG 91 -0.360 -6.476 2.118 640 HH12 ARG 91 2HH1 ARG 91 -0.296 -7.003 0.469 641 HH21 ARG 91 1HH2 ARG 91 2.972 -8.143 0.686 642 HH22 ARG 91 2HH2 ARG 91 1.591 -7.948 -0.341 643 H TYR 92 H TYR 92 4.406 -7.441 7.929 644 HA TYR 92 HA TYR 92 5.311 -10.234 8.218 645 HB2 TYR 92 2HB TYR 92 4.970 -9.325 10.822 646 HB3 TYR 92 1HB TYR 92 6.512 -9.626 10.019 647 HD1 TYR 92 1HD TYR 92 3.860 -6.972 9.813 648 HD2 TYR 92 2HD TYR 92 8.035 -7.876 10.274 649 HE1 TYR 92 1HE TYR 92 4.375 -4.549 9.902 650 HE2 TYR 92 2HE TYR 92 8.549 -5.453 10.363 651 HH TYR 92 HH TYR 92 6.841 -3.239 11.110 652 H LYS 93 H LYS 93 3.839 -11.608 9.314 653 HA LYS 93 HA LYS 93 1.063 -10.728 9.066 654 HB2 LYS 93 2HB LYS 93 0.517 -13.103 9.365 655 HB3 LYS 93 1HB LYS 93 1.721 -12.891 8.095 656 HG2 LYS 93 2HG LYS 93 2.944 -14.429 9.221 657 HG3 LYS 93 1HG LYS 93 3.274 -13.134 10.371 658 HD2 LYS 93 2HD LYS 93 2.441 -14.927 11.690 659 HD3 LYS 93 1HD LYS 93 1.082 -13.817 11.521 660 HE2 LYS 93 2HE LYS 93 -0.081 -15.619 10.790 661 HE3 LYS 93 1HE LYS 93 0.823 -15.424 9.289 662 HZ1 LYS 93 1HZ LYS 93 2.541 -16.763 10.916 663 HZ2 LYS 93 2HZ LYS 93 1.591 -17.457 9.689 664 HZ3 LYS 93 3HZ LYS 93 1.040 -17.455 11.296 665 H VAL 94 H VAL 94 -0.292 -10.378 10.730 666 HA VAL 94 HA VAL 94 0.800 -10.688 13.457 667 HB VAL 94 HB VAL 94 0.198 -8.390 12.810 668 HG11 VAL 94 1HG1 VAL 94 -1.882 -7.793 11.975 669 HG12 VAL 94 2HG1 VAL 94 -2.696 -9.158 12.740 670 HG13 VAL 94 3HG1 VAL 94 -1.728 -9.409 11.287 671 HG21 VAL 94 1HG2 VAL 94 -1.097 -7.885 14.766 672 HG22 VAL 94 2HG2 VAL 94 -0.150 -9.317 15.164 673 HG23 VAL 94 3HG2 VAL 94 -1.856 -9.476 14.753 674 H SER 95 H SER 95 -1.936 -11.406 11.371 675 HA SER 95 HA SER 95 -2.832 -13.411 13.316 676 HB2 SER 95 2HB SER 95 -4.710 -12.305 13.833 677 HB3 SER 95 1HB SER 95 -4.200 -10.959 12.820 678 HG SER 95 HG SER 95 -5.295 -11.799 11.138 679 HA PRO 96 HA PRO 96 -3.408 -15.906 9.737 680 HB2 PRO 96 2HB PRO 96 -5.615 -17.385 10.360 681 HB3 PRO 96 1HB PRO 96 -4.039 -17.623 11.139 682 HG2 PRO 96 2HG PRO 96 -6.444 -16.178 12.133 683 HG3 PRO 96 1HG PRO 96 -5.314 -17.224 13.008 684 HD2 PRO 96 2HD PRO 96 -5.213 -14.486 13.128 685 HD3 PRO 96 1HD PRO 96 -3.788 -15.526 13.343 686 H GLU 97 H GLU 97 -5.861 -13.688 10.637 687 HA GLU 97 HA GLU 97 -7.156 -13.953 7.986 688 HB2 GLU 97 2HB GLU 97 -8.261 -13.610 10.698 689 HB3 GLU 97 1HB GLU 97 -8.966 -12.562 9.466 690 HG2 GLU 97 2HG GLU 97 -9.563 -14.437 8.092 691 HG3 GLU 97 1HG GLU 97 -8.623 -15.544 9.089 692 H VAL 98 H VAL 98 -5.165 -12.043 9.880 693 HA VAL 98 HA VAL 98 -5.735 -9.692 8.188 694 HB VAL 98 HB VAL 98 -5.061 -9.571 11.135 695 HG11 VAL 98 1HG1 VAL 98 -4.234 -7.630 9.981 696 HG12 VAL 98 2HG1 VAL 98 -5.743 -7.154 10.761 697 HG13 VAL 98 3HG1 VAL 98 -5.714 -7.492 9.031 698 HG21 VAL 98 1HG2 VAL 98 -7.414 -8.712 11.331 699 HG22 VAL 98 2HG2 VAL 98 -7.328 -10.408 10.856 700 HG23 VAL 98 3HG2 VAL 98 -7.676 -9.171 9.649 701 H LYS 99 H LYS 99 -3.940 -8.346 7.760 702 HA LYS 99 HA LYS 99 -1.302 -9.486 8.450 703 HB2 LYS 99 2HB LYS 99 -2.470 -9.518 5.902 704 HB3 LYS 99 1HB LYS 99 -1.310 -8.188 5.861 705 HG2 LYS 99 2HG LYS 99 0.453 -9.684 6.710 706 HG3 LYS 99 1HG LYS 99 -0.703 -11.015 6.776 707 HD2 LYS 99 2HD LYS 99 -0.536 -9.616 4.172 708 HD3 LYS 99 1HD LYS 99 0.901 -10.530 4.634 709 HE2 LYS 99 2HE LYS 99 -1.848 -11.748 4.853 710 HE3 LYS 99 1HE LYS 99 -0.957 -11.782 3.331 711 HZ1 LYS 99 1HZ LYS 99 -0.116 -13.657 4.207 712 HZ2 LYS 99 2HZ LYS 99 -0.450 -13.204 5.811 713 HZ3 LYS 99 3HZ LYS 99 0.925 -12.593 5.020 714 H LEU 100 H LEU 100 0.199 -8.034 9.086 715 HA LEU 100 HA LEU 100 -0.615 -5.204 9.130 716 HB2 LEU 100 2HB LEU 100 0.155 -6.677 11.209 717 HB3 LEU 100 1HB LEU 100 1.755 -6.190 10.646 718 HG LEU 100 HG LEU 100 0.654 -3.796 10.523 719 HD11 LEU 100 1HD1 LEU 100 -1.243 -3.428 11.781 720 HD12 LEU 100 2HD1 LEU 100 -0.904 -4.770 12.875 721 HD13 LEU 100 3HD1 LEU 100 -1.571 -5.086 11.273 722 HD21 LEU 100 1HD2 LEU 100 2.500 -4.169 11.979 723 HD22 LEU 100 2HD2 LEU 100 1.571 -5.266 13.001 724 HD23 LEU 100 3HD2 LEU 100 1.225 -3.537 13.022 725 H VAL 101 H VAL 101 0.601 -3.620 8.213 726 HA VAL 101 HA VAL 101 3.186 -4.345 7.008 727 HB VAL 101 HB VAL 101 1.657 -4.600 5.177 728 HG11 VAL 101 1HG1 VAL 101 0.257 -2.472 6.554 729 HG12 VAL 101 2HG1 VAL 101 -0.335 -3.557 5.297 730 HG13 VAL 101 3HG1 VAL 101 0.482 -2.058 4.855 731 HG21 VAL 101 1HG2 VAL 101 2.616 -1.777 4.788 732 HG22 VAL 101 2HG2 VAL 101 2.655 -3.132 3.658 733 HG23 VAL 101 3HG2 VAL 101 3.795 -3.071 5.002 734 H VAL 102 H VAL 102 4.616 -2.599 6.741 735 HA VAL 102 HA VAL 102 3.763 0.044 7.613 736 HB VAL 102 HB VAL 102 6.028 -1.468 8.940 737 HG11 VAL 102 1HG1 VAL 102 5.429 1.356 8.637 738 HG12 VAL 102 2HG1 VAL 102 6.839 0.590 9.371 739 HG13 VAL 102 3HG1 VAL 102 5.394 0.886 10.337 740 HG21 VAL 102 1HG2 VAL 102 3.907 -2.231 9.811 741 HG22 VAL 102 2HG2 VAL 102 3.291 -0.582 9.898 742 HG23 VAL 102 3HG2 VAL 102 4.579 -1.100 10.986 743 H GLU 103 H GLU 103 4.351 1.183 5.924 744 HA GLU 103 HA GLU 103 6.960 0.667 4.640 745 HB2 GLU 103 2HB GLU 103 5.214 2.494 3.209 746 HB3 GLU 103 1HB GLU 103 5.957 0.993 2.659 747 HG2 GLU 103 2HG GLU 103 4.181 -0.284 3.855 748 HG3 GLU 103 1HG GLU 103 3.412 1.242 4.286 749 H TYR 104 H TYR 104 8.299 2.435 4.084 750 HA TYR 104 HA TYR 104 7.888 4.812 5.793 751 HB2 TYR 104 2HB TYR 104 10.075 3.084 5.573 752 HB3 TYR 104 1HB TYR 104 10.555 4.531 4.687 753 HD1 TYR 104 1HD TYR 104 9.869 3.099 7.951 754 HD2 TYR 104 2HD TYR 104 10.423 6.782 5.810 755 HE1 TYR 104 1HE TYR 104 10.260 4.287 10.094 756 HE2 TYR 104 2HE TYR 104 10.812 7.968 7.951 757 HH TYR 104 HH TYR 104 10.282 6.411 11.039 758 H GLY 105 H GLY 105 7.330 6.621 4.768 759 HA2 GLY 105 2HA GLY 105 7.463 6.825 1.892 760 HA3 GLY 105 1HA GLY 105 6.851 8.048 3.001 761 H TRP 106 H TRP 106 9.011 7.755 0.695 762 HA TRP 106 HA TRP 106 10.913 9.597 1.995 763 HB2 TRP 106 2HB TRP 106 12.151 7.580 1.994 764 HB3 TRP 106 1HB TRP 106 11.565 7.125 0.395 765 HD1 TRP 106 HD TRP 106 12.863 7.987 -1.662 766 HE1 TRP 106 1HE TRP 106 14.966 9.443 -1.985 767 HE3 TRP 106 3HE TRP 106 13.500 9.687 3.112 768 HZ2 TRP 106 2HZ TRP 106 16.690 11.110 -0.423 769 HZ3 TRP 106 3HZ TRP 106 15.377 11.205 3.666 770 HH2 TRP 106 HH TRP 106 16.972 11.919 1.906 771 H ASN 107 H ASN 107 11.710 11.215 0.682 772 HA ASN 107 HA ASN 107 10.892 11.233 -2.143 773 HB2 ASN 107 2HB ASN 107 10.477 13.659 -0.405 774 HB3 ASN 107 1HB ASN 107 9.837 13.338 -2.016 775 HD21 ASN 107 1HD2 ASN 107 7.983 11.894 -2.196 776 HD22 ASN 107 2HD2 ASN 107 7.082 11.437 -0.831 777 H ASN 108 H ASN 108 11.991 12.953 -3.381 778 HA ASN 108 HA ASN 108 14.780 13.062 -2.680 779 HB2 ASN 108 2HB ASN 108 13.737 14.755 -4.883 780 HB3 ASN 108 1HB ASN 108 15.126 13.670 -4.853 781 HD21 ASN 108 1HD2 ASN 108 13.839 11.267 -4.006 782 HD22 ASN 108 2HD2 ASN 108 12.759 10.780 -5.222 783 H SER 109 H SER 109 15.471 14.437 -1.167 784 HA SER 109 HA SER 109 15.632 16.325 0.153 785 HB2 SER 109 2HB SER 109 15.506 17.351 -2.670 786 HB3 SER 109 1HB SER 109 15.660 18.465 -1.314 787 HG SER 109 HG SER 109 17.509 17.256 -0.670 788 H SER 110 H SER 110 13.269 15.474 0.717 789 HA SER 110 HA SER 110 11.658 17.865 0.972 790 HB2 SER 110 2HB SER 110 11.103 16.047 -1.146 791 HB3 SER 110 1HB SER 110 9.830 15.873 0.057 792 HG SER 110 HG SER 110 9.779 17.649 -1.673 793 H LEU 111 H LEU 111 9.650 17.384 2.286 794 HA LEU 111 HA LEU 111 10.334 16.101 4.677 795 HB2 LEU 111 2HB LEU 111 7.929 17.334 3.518 796 HB3 LEU 111 1HB LEU 111 7.581 16.066 4.693 797 HG LEU 111 HG LEU 111 7.804 18.363 5.702 798 HD11 LEU 111 1HD1 LEU 111 10.041 17.198 7.052 799 HD12 LEU 111 2HD1 LEU 111 8.959 15.895 6.560 800 HD13 LEU 111 3HD1 LEU 111 8.351 17.218 7.555 801 HD21 LEU 111 1HD2 LEU 111 10.750 18.248 5.536 802 HD22 LEU 111 2HD2 LEU 111 9.670 19.637 5.417 803 HD23 LEU 111 3HD2 LEU 111 9.946 18.611 4.008 804 H GLN 112 H GLN 112 9.595 14.164 5.633 805 HA GLN 112 HA GLN 112 8.830 12.069 3.683 806 HB2 GLN 112 2HB GLN 112 9.950 10.499 5.319 807 HB3 GLN 112 1HB GLN 112 11.039 11.609 4.487 808 HG2 GLN 112 2HG GLN 112 10.990 13.124 6.430 809 HG3 GLN 112 1HG GLN 112 9.894 12.024 7.264 810 HE21 GLN 112 1HE2 GLN 112 11.420 11.527 8.974 811 HE22 GLN 112 2HE2 GLN 112 12.823 10.616 8.681 812 H PHE 113 H PHE 113 7.876 10.093 4.979 813 HA PHE 113 HA PHE 113 6.298 10.754 7.293 814 HB2 PHE 113 2HB PHE 113 4.132 10.157 5.919 815 HB3 PHE 113 1HB PHE 113 4.738 11.814 5.945 816 HD1 PHE 113 1HD PHE 113 4.423 8.737 3.943 817 HD2 PHE 113 2HD PHE 113 5.859 12.785 4.005 818 HE1 PHE 113 1HE PHE 113 4.703 8.675 1.480 819 HE2 PHE 113 2HE PHE 113 6.138 12.724 1.542 820 HZ PHE 113 HZ PHE 113 5.560 10.668 0.279 821 H LEU 114 H LEU 114 4.935 8.928 7.973 822 HA LEU 114 HA LEU 114 6.086 6.366 7.054 823 HB2 LEU 114 2HB LEU 114 4.719 6.984 9.683 824 HB3 LEU 114 1HB LEU 114 5.556 5.492 9.252 825 HG LEU 114 HG LEU 114 7.491 7.347 8.723 826 HD11 LEU 114 1HD1 LEU 114 7.525 8.938 10.590 827 HD12 LEU 114 2HD1 LEU 114 5.992 8.300 11.183 828 HD13 LEU 114 3HD1 LEU 114 6.053 9.156 9.642 829 HD21 LEU 114 1HD2 LEU 114 8.436 6.658 10.940 830 HD22 LEU 114 2HD2 LEU 114 7.823 5.296 10.001 831 HD23 LEU 114 3HD2 LEU 114 6.875 5.941 11.341 832 H GLN 115 H GLN 115 4.663 4.508 7.002 833 HA GLN 115 HA GLN 115 1.810 5.181 6.629 834 HB2 GLN 115 2HB GLN 115 3.681 3.775 4.755 835 HB3 GLN 115 1HB GLN 115 1.973 3.335 4.775 836 HG2 GLN 115 2HG GLN 115 1.297 5.568 4.236 837 HG3 GLN 115 1HG GLN 115 2.918 6.197 4.521 838 HE21 GLN 115 1HE2 GLN 115 2.857 7.033 2.248 839 HE22 GLN 115 2HE2 GLN 115 3.155 5.967 0.962 840 H ALA 116 H ALA 116 0.535 3.953 7.840 841 HA ALA 116 HA ALA 116 1.389 1.207 8.497 842 HB1 ALA 116 1HB ALA 116 0.245 1.715 10.790 843 HB2 ALA 116 2HB ALA 116 0.575 3.398 10.380 844 HB3 ALA 116 3HB ALA 116 1.904 2.247 10.520 845 H GLY 117 H GLY 117 -0.176 -0.276 8.238 846 HA2 GLY 117 2HA GLY 117 -2.958 0.268 8.613 847 HA3 GLY 117 1HA GLY 117 -2.544 0.207 6.904 848 H LEU 118 H LEU 118 -4.039 -1.652 6.914 849 HA LEU 118 HA LEU 118 -2.550 -4.129 7.430 850 HB2 LEU 118 2HB LEU 118 -4.621 -5.174 8.371 851 HB3 LEU 118 1HB LEU 118 -3.932 -3.920 9.402 852 HG LEU 118 HG LEU 118 -5.742 -2.694 7.542 853 HD11 LEU 118 1HD1 LEU 118 -7.840 -3.784 8.316 854 HD12 LEU 118 2HD1 LEU 118 -6.878 -5.009 9.142 855 HD13 LEU 118 3HD1 LEU 118 -6.828 -4.887 7.384 856 HD21 LEU 118 1HD2 LEU 118 -5.966 -3.158 10.534 857 HD22 LEU 118 2HD2 LEU 118 -6.786 -1.902 9.607 858 HD23 LEU 118 3HD2 LEU 118 -5.033 -1.860 9.787 859 H SER 119 H SER 119 -3.709 -6.031 6.407 860 HA SER 119 HA SER 119 -5.199 -5.209 3.990 861 HB2 SER 119 2HB SER 119 -3.232 -5.668 2.920 862 HB3 SER 119 1HB SER 119 -2.650 -6.715 4.211 863 HG SER 119 HG SER 119 -4.900 -7.597 2.865 864 H TYR 120 H TYR 120 -6.585 -6.813 3.102 865 HA TYR 120 HA TYR 120 -7.096 -9.162 4.805 866 HB2 TYR 120 2HB TYR 120 -8.673 -6.918 4.963 867 HB3 TYR 120 1HB TYR 120 -9.524 -7.883 3.757 868 HD1 TYR 120 1HD TYR 120 -9.721 -10.471 4.345 869 HD2 TYR 120 2HD TYR 120 -9.109 -7.339 7.221 870 HE1 TYR 120 1HE TYR 120 -10.606 -11.939 6.136 871 HE2 TYR 120 2HE TYR 120 -9.994 -8.808 9.011 872 HH TYR 120 HH TYR 120 -11.682 -11.656 8.382 873 H ARG 121 H ARG 121 -7.640 -10.973 3.696 874 HA ARG 121 HA ARG 121 -7.693 -10.758 0.763 875 HB2 ARG 121 2HB ARG 121 -6.102 -12.315 2.149 876 HB3 ARG 121 1HB ARG 121 -7.521 -13.356 2.249 877 HG2 ARG 121 2HG ARG 121 -6.670 -14.151 0.266 878 HG3 ARG 121 1HG ARG 121 -7.605 -12.803 -0.380 879 HD2 ARG 121 2HD ARG 121 -5.409 -12.639 -1.336 880 HD3 ARG 121 1HD ARG 121 -5.531 -11.371 -0.120 881 HE ARG 121 HE ARG 121 -3.892 -12.467 1.109 882 HH11 ARG 121 1HH1 ARG 121 -2.382 -14.130 1.449 883 HH12 ARG 121 2HH1 ARG 121 -2.470 -15.580 0.504 884 HH21 ARG 121 1HH2 ARG 121 -5.237 -14.542 -1.311 885 HH22 ARG 121 2HH2 ARG 121 -4.087 -15.812 -1.059 886 H ILE 122 H ILE 122 -9.401 -11.440 -0.446 887 HA ILE 122 HA ILE 122 -11.932 -11.770 0.902 888 HB ILE 122 HB ILE 122 -11.806 -10.470 -1.165 889 HG12 ILE 122 2HG1 ILE 122 -13.285 -12.991 -1.889 890 HG13 ILE 122 1HG1 ILE 122 -13.812 -12.021 -0.512 891 HG21 ILE 122 1HG2 ILE 122 -11.086 -11.354 -3.221 892 HG22 ILE 122 2HG2 ILE 122 -11.265 -13.019 -2.674 893 HG23 ILE 122 3HG2 ILE 122 -9.932 -12.035 -2.075 894 HD11 ILE 122 1HD1 ILE 122 -14.950 -11.415 -2.676 895 HD12 ILE 122 2HD1 ILE 122 -13.381 -10.900 -3.294 896 HD13 ILE 122 3HD1 ILE 122 -14.101 -10.070 -1.914 897 H GLN 123 H GLN 123 -9.926 -13.784 -1.252 898 HA GLN 123 HA GLN 123 -11.094 -16.165 0.009 899 HB2 GLN 123 2HB GLN 123 -11.380 -15.353 -2.820 900 HB3 GLN 123 1HB GLN 123 -10.921 -17.032 -2.558 901 HG2 GLN 123 2HG GLN 123 -12.851 -17.461 -1.230 902 HG3 GLN 123 1HG GLN 123 -13.206 -15.743 -1.060 903 HE21 GLN 123 1HE2 GLN 123 -14.369 -18.389 -2.606 904 HE22 GLN 123 2HE2 GLN 123 -14.966 -17.671 -4.024 905 HA PRO 124 HA PRO 124 -6.908 -17.568 -0.079 906 HB2 PRO 124 2HB PRO 124 -7.211 -20.275 -0.380 907 HB3 PRO 124 1HB PRO 124 -7.534 -19.416 1.137 908 HG2 PRO 124 2HG PRO 124 -9.437 -20.393 -0.928 909 HG3 PRO 124 1HG PRO 124 -9.592 -20.377 0.837 910 HD2 PRO 124 2HD PRO 124 -10.820 -18.543 -0.783 911 HD3 PRO 124 1HD PRO 124 -10.331 -18.191 0.888 Start of MODEL 20 1 H1 MET 1 1HT MET 1 -5.313 -25.536 -7.213 2 H2 MET 1 2HT MET 1 -6.451 -25.408 -8.468 3 H3 MET 1 3HT MET 1 -6.873 -24.955 -6.887 4 HA MET 1 HA MET 1 -4.727 -23.398 -7.325 5 HB2 MET 1 2HB MET 1 -5.417 -22.372 -9.621 6 HB3 MET 1 1HB MET 1 -4.433 -23.837 -9.618 7 HG2 MET 1 2HG MET 1 -7.380 -24.225 -9.543 8 HG3 MET 1 1HG MET 1 -6.704 -23.622 -11.057 9 HE1 MET 1 1HE MET 1 -7.757 -26.751 -9.338 10 HE2 MET 1 2HE MET 1 -7.446 -27.648 -10.821 11 HE3 MET 1 3HE MET 1 -8.268 -26.092 -10.898 12 H GLN 2 H GLN 2 -5.821 -22.418 -5.618 13 HA GLN 2 HA GLN 2 -8.461 -21.247 -6.170 14 HB2 GLN 2 2HB GLN 2 -6.880 -21.719 -3.648 15 HB3 GLN 2 1HB GLN 2 -8.286 -20.655 -3.673 16 HG2 GLN 2 2HG GLN 2 -9.674 -22.489 -4.546 17 HG3 GLN 2 1HG GLN 2 -8.272 -23.557 -4.552 18 HE21 GLN 2 1HE2 GLN 2 -7.771 -21.672 -1.894 19 HE22 GLN 2 2HE2 GLN 2 -8.550 -22.615 -0.717 20 H ASP 3 H ASP 3 -5.323 -20.265 -4.774 21 HA ASP 3 HA ASP 3 -5.926 -17.467 -4.968 22 HB2 ASP 3 2HB ASP 3 -4.350 -18.458 -3.295 23 HB3 ASP 3 1HB ASP 3 -3.227 -18.785 -4.613 24 H GLY 4 H GLY 4 -6.425 -18.533 -7.444 25 HA2 GLY 4 2HA GLY 4 -4.263 -18.429 -9.270 26 HA3 GLY 4 1HA GLY 4 -5.968 -18.265 -9.685 27 HA PRO 5 HA PRO 5 -3.737 -14.152 -10.144 28 HB2 PRO 5 2HB PRO 5 -3.948 -13.923 -12.857 29 HB3 PRO 5 1HB PRO 5 -2.578 -14.715 -12.054 30 HG2 PRO 5 2HG PRO 5 -4.937 -15.919 -13.401 31 HG3 PRO 5 1HG PRO 5 -3.251 -16.461 -13.370 32 HD2 PRO 5 2HD PRO 5 -5.245 -17.565 -11.813 33 HD3 PRO 5 1HD PRO 5 -3.519 -17.608 -11.393 34 H GLY 6 H GLY 6 -4.788 -12.170 -10.406 35 HA2 GLY 6 2HA GLY 6 -6.528 -10.737 -11.150 36 HA3 GLY 6 1HA GLY 6 -7.504 -12.155 -11.521 37 H THR 7 H THR 7 -5.923 -12.363 -8.525 38 HA THR 7 HA THR 7 -8.334 -12.464 -7.046 39 HB THR 7 HB THR 7 -5.838 -11.842 -5.581 40 HG1 THR 7 1HG THR 7 -6.154 -14.236 -7.062 41 HG21 THR 7 1HG2 THR 7 -6.634 -13.517 -4.127 42 HG22 THR 7 2HG2 THR 7 -7.601 -14.277 -5.390 43 HG23 THR 7 3HG2 THR 7 -8.105 -12.732 -4.703 44 H LEU 8 H LEU 8 -8.864 -11.065 -5.184 45 HA LEU 8 HA LEU 8 -8.033 -8.258 -5.545 46 HB2 LEU 8 2HB LEU 8 -10.518 -7.721 -5.006 47 HB3 LEU 8 1HB LEU 8 -10.095 -8.192 -6.652 48 HG LEU 8 HG LEU 8 -10.764 -10.396 -4.770 49 HD11 LEU 8 1HD1 LEU 8 -13.190 -10.059 -5.134 50 HD12 LEU 8 2HD1 LEU 8 -12.851 -8.527 -5.939 51 HD13 LEU 8 3HD1 LEU 8 -12.488 -8.722 -4.224 52 HD21 LEU 8 1HD2 LEU 8 -11.480 -11.459 -6.734 53 HD22 LEU 8 2HD2 LEU 8 -10.165 -10.439 -7.323 54 HD23 LEU 8 3HD2 LEU 8 -11.840 -9.934 -7.542 55 H ASP 9 H ASP 9 -7.682 -7.184 -3.680 56 HA ASP 9 HA ASP 9 -8.714 -8.320 -1.167 57 HB2 ASP 9 2HB ASP 9 -6.653 -9.188 -0.809 58 HB3 ASP 9 1HB ASP 9 -5.897 -8.150 -2.017 59 H VAL 10 H VAL 10 -9.010 -6.827 0.488 60 HA VAL 10 HA VAL 10 -8.892 -4.004 -0.364 61 HB VAL 10 HB VAL 10 -10.523 -5.272 1.848 62 HG11 VAL 10 1HG1 VAL 10 -10.148 -2.953 2.332 63 HG12 VAL 10 2HG1 VAL 10 -11.763 -3.059 1.629 64 HG13 VAL 10 3HG1 VAL 10 -10.410 -2.496 0.649 65 HG21 VAL 10 1HG2 VAL 10 -11.621 -6.080 -0.014 66 HG22 VAL 10 2HG2 VAL 10 -11.002 -4.803 -1.060 67 HG23 VAL 10 3HG2 VAL 10 -12.339 -4.471 0.041 68 H PHE 11 H PHE 11 -7.662 -2.566 0.722 69 HA PHE 11 HA PHE 11 -6.683 -3.204 3.400 70 HB2 PHE 11 2HB PHE 11 -4.420 -3.255 2.898 71 HB3 PHE 11 1HB PHE 11 -5.097 -4.086 1.496 72 HD1 PHE 11 1HD PHE 11 -3.354 -1.123 2.689 73 HD2 PHE 11 2HD PHE 11 -5.458 -2.829 -0.645 74 HE1 PHE 11 1HE PHE 11 -2.402 0.616 1.199 75 HE2 PHE 11 2HE PHE 11 -4.506 -1.090 -2.135 76 HZ PHE 11 HZ PHE 11 -2.978 0.633 -1.213 77 H VAL 12 H VAL 12 -5.965 -1.411 4.559 78 HA VAL 12 HA VAL 12 -6.642 1.196 3.339 79 HB VAL 12 HB VAL 12 -6.665 0.281 6.223 80 HG11 VAL 12 1HG1 VAL 12 -7.633 2.647 6.544 81 HG12 VAL 12 2HG1 VAL 12 -6.929 3.017 4.970 82 HG13 VAL 12 3HG1 VAL 12 -5.890 2.524 6.307 83 HG21 VAL 12 1HG2 VAL 12 -8.577 -0.263 4.549 84 HG22 VAL 12 2HG2 VAL 12 -8.927 1.464 4.613 85 HG23 VAL 12 3HG2 VAL 12 -9.015 0.491 6.081 86 H ALA 13 H ALA 13 -5.332 3.051 4.109 87 HA ALA 13 HA ALA 13 -2.730 2.478 5.223 88 HB1 ALA 13 1HB ALA 13 -1.986 2.013 3.077 89 HB2 ALA 13 2HB ALA 13 -1.722 3.757 3.150 90 HB3 ALA 13 3HB ALA 13 -3.143 3.111 2.325 91 H ALA 14 H ALA 14 -2.643 3.995 6.693 92 HA ALA 14 HA ALA 14 -3.645 6.703 6.083 93 HB1 ALA 14 1HB ALA 14 -4.538 6.674 8.136 94 HB2 ALA 14 2HB ALA 14 -2.955 6.361 8.846 95 HB3 ALA 14 3HB ALA 14 -3.975 5.015 8.337 96 H GLY 15 H GLY 15 -2.217 8.290 5.789 97 HA2 GLY 15 2HA GLY 15 0.612 7.782 6.361 98 HA3 GLY 15 1HA GLY 15 -0.028 9.069 5.346 99 H TRP 16 H TRP 16 1.886 9.142 7.624 100 HA TRP 16 HA TRP 16 0.507 11.235 9.172 101 HB2 TRP 16 2HB TRP 16 0.483 9.262 10.592 102 HB3 TRP 16 1HB TRP 16 2.209 9.016 10.330 103 HD1 TRP 16 HD TRP 16 -0.065 11.895 11.587 104 HE1 TRP 16 1HE TRP 16 1.138 13.059 13.549 105 HE3 TRP 16 3HE TRP 16 4.263 9.187 11.701 106 HZ2 TRP 16 2HZ TRP 16 3.608 12.866 14.978 107 HZ3 TRP 16 3HZ TRP 16 6.022 9.697 13.372 108 HH2 TRP 16 HH TRP 16 5.701 11.531 15.008 109 H ASN 17 H ASN 17 1.618 13.075 9.101 110 HA ASN 17 HA ASN 17 4.469 12.979 8.358 111 HB2 ASN 17 2HB ASN 17 2.640 14.335 7.064 112 HB3 ASN 17 1HB ASN 17 2.831 15.489 8.382 113 HD21 ASN 17 1HD2 ASN 17 3.673 15.743 5.486 114 HD22 ASN 17 2HD2 ASN 17 5.338 16.069 5.544 115 H THR 18 H THR 18 6.023 14.066 9.545 116 HA THR 18 HA THR 18 5.700 14.182 12.331 117 HB THR 18 HB THR 18 7.817 15.871 11.830 118 HG1 THR 18 1HG THR 18 8.511 15.538 9.884 119 HG21 THR 18 1HG2 THR 18 7.716 12.843 11.870 120 HG22 THR 18 2HG2 THR 18 7.889 13.907 13.265 121 HG23 THR 18 3HG2 THR 18 9.186 13.796 12.075 122 H ASP 19 H ASP 19 4.577 16.292 9.966 123 HA ASP 19 HA ASP 19 4.748 18.721 11.545 124 HB2 ASP 19 2HB ASP 19 4.683 18.410 8.919 125 HB3 ASP 19 1HB ASP 19 2.942 18.455 9.181 126 H ASN 20 H ASN 20 3.149 16.125 12.240 127 HA ASN 20 HA ASN 20 1.291 15.704 13.532 128 HB2 ASN 20 2HB ASN 20 1.927 18.136 14.337 129 HB3 ASN 20 1HB ASN 20 0.465 18.577 13.457 130 HD21 ASN 20 1HD2 ASN 20 1.432 15.893 15.687 131 HD22 ASN 20 2HD2 ASN 20 0.022 15.987 16.629 132 H THR 21 H THR 21 1.282 15.839 10.570 133 HA THR 21 HA THR 21 -1.516 16.574 10.030 134 HB THR 21 HB THR 21 0.508 15.681 7.984 135 HG1 THR 21 1HG THR 21 0.012 18.320 8.890 136 HG21 THR 21 1HG2 THR 21 -1.942 17.463 7.883 137 HG22 THR 21 2HG2 THR 21 -1.852 15.800 7.300 138 HG23 THR 21 3HG2 THR 21 -0.911 17.063 6.508 139 H ILE 22 H ILE 22 -2.900 15.097 8.910 140 HA ILE 22 HA ILE 22 -2.091 12.267 9.002 141 HB ILE 22 HB ILE 22 -3.294 12.682 11.088 142 HG12 ILE 22 2HG1 ILE 22 -5.447 11.363 9.553 143 HG13 ILE 22 1HG1 ILE 22 -3.836 10.705 9.266 144 HG21 ILE 22 1HG2 ILE 22 -5.652 13.526 9.390 145 HG22 ILE 22 2HG2 ILE 22 -4.546 14.687 10.123 146 HG23 ILE 22 3HG2 ILE 22 -5.498 13.610 11.145 147 HD11 ILE 22 1HD1 ILE 22 -5.020 11.146 12.021 148 HD12 ILE 22 2HD1 ILE 22 -3.501 10.335 11.640 149 HD13 ILE 22 3HD1 ILE 22 -5.034 9.600 11.173 150 H GLU 23 H GLU 23 -2.847 11.064 7.335 151 HA GLU 23 HA GLU 23 -4.958 12.203 5.622 152 HB2 GLU 23 2HB GLU 23 -2.238 11.239 4.718 153 HB3 GLU 23 1HB GLU 23 -3.600 11.481 3.624 154 HG2 GLU 23 2HG GLU 23 -3.761 13.845 4.404 155 HG3 GLU 23 1HG GLU 23 -2.323 13.586 5.393 156 H ILE 24 H ILE 24 -6.400 10.735 4.914 157 HA ILE 24 HA ILE 24 -5.908 7.913 5.609 158 HB ILE 24 HB ILE 24 -7.901 8.833 6.627 159 HG12 ILE 24 2HG1 ILE 24 -8.857 7.233 4.246 160 HG13 ILE 24 1HG1 ILE 24 -7.894 6.498 5.530 161 HG21 ILE 24 1HG2 ILE 24 -9.079 10.447 5.595 162 HG22 ILE 24 2HG2 ILE 24 -9.531 9.316 4.319 163 HG23 ILE 24 3HG2 ILE 24 -8.055 10.271 4.170 164 HD11 ILE 24 1HD1 ILE 24 -10.141 8.136 6.503 165 HD12 ILE 24 2HD1 ILE 24 -9.620 6.527 7.007 166 HD13 ILE 24 3HD1 ILE 24 -10.631 6.720 5.574 167 H THR 25 H THR 25 -5.949 6.323 4.094 168 HA THR 25 HA THR 25 -6.823 6.939 1.370 169 HB THR 25 HB THR 25 -4.090 5.752 1.842 170 HG1 THR 25 1HG THR 25 -4.870 8.263 2.214 171 HG21 THR 25 1HG2 THR 25 -4.708 7.249 -0.610 172 HG22 THR 25 2HG2 THR 25 -5.714 5.820 -0.380 173 HG23 THR 25 3HG2 THR 25 -3.957 5.665 -0.418 174 H GLY 26 H GLY 26 -7.599 5.181 0.287 175 HA2 GLY 26 2HA GLY 26 -7.094 2.493 1.328 176 HA3 GLY 26 1HA GLY 26 -8.760 3.058 1.357 177 H GLY 27 H GLY 27 -7.614 0.831 -0.153 178 HA2 GLY 27 2HA GLY 27 -8.874 1.332 -2.668 179 HA3 GLY 27 1HA GLY 27 -7.121 1.301 -2.831 180 H ALA 28 H ALA 28 -7.339 -0.589 -4.156 181 HA ALA 28 HA ALA 28 -7.602 -3.044 -2.549 182 HB1 ALA 28 1HB ALA 28 -9.139 -2.294 -4.989 183 HB2 ALA 28 2HB ALA 28 -9.629 -3.268 -3.604 184 HB3 ALA 28 3HB ALA 28 -8.594 -3.966 -4.849 185 H THR 29 H THR 29 -6.206 -4.680 -3.107 186 HA THR 29 HA THR 29 -4.119 -3.956 -5.061 187 HB THR 29 HB THR 29 -2.773 -5.706 -3.865 188 HG1 THR 29 1HG THR 29 -3.673 -6.276 -1.780 189 HG21 THR 29 1HG2 THR 29 -3.606 -3.104 -2.936 190 HG22 THR 29 2HG2 THR 29 -2.027 -3.874 -2.801 191 HG23 THR 29 3HG2 THR 29 -3.250 -4.148 -1.561 192 H TYR 30 H TYR 30 -3.814 -5.134 -6.855 193 HA TYR 30 HA TYR 30 -5.516 -7.513 -7.234 194 HB2 TYR 30 2HB TYR 30 -4.754 -5.285 -8.923 195 HB3 TYR 30 1HB TYR 30 -4.365 -6.826 -9.687 196 HD1 TYR 30 1HD TYR 30 -6.175 -8.613 -9.830 197 HD2 TYR 30 2HD TYR 30 -6.998 -4.536 -8.755 198 HE1 TYR 30 1HE TYR 30 -8.573 -8.958 -10.356 199 HE2 TYR 30 2HE TYR 30 -9.397 -4.881 -9.284 200 HH TYR 30 HH TYR 30 -10.966 -6.386 -9.800 201 H GLN 31 H GLN 31 -4.584 -9.443 -7.152 202 HA GLN 31 HA GLN 31 -1.659 -9.626 -7.424 203 HB2 GLN 31 2HB GLN 31 -3.113 -10.591 -5.438 204 HB3 GLN 31 1HB GLN 31 -3.359 -11.929 -6.560 205 HG2 GLN 31 2HG GLN 31 -0.733 -11.720 -6.865 206 HG3 GLN 31 1HG GLN 31 -0.831 -10.981 -5.268 207 HE21 GLN 31 1HE2 GLN 31 -1.711 -13.965 -7.058 208 HE22 GLN 31 2HE2 GLN 31 -1.714 -14.965 -5.685 209 H LEU 32 H LEU 32 -1.168 -9.846 -9.541 210 HA LEU 32 HA LEU 32 -2.720 -11.746 -11.169 211 HB2 LEU 32 2HB LEU 32 -1.643 -9.218 -11.725 212 HB3 LEU 32 1HB LEU 32 -0.610 -10.359 -12.586 213 HG LEU 32 HG LEU 32 -2.701 -11.440 -13.496 214 HD11 LEU 32 1HD1 LEU 32 -4.726 -10.800 -12.749 215 HD12 LEU 32 2HD1 LEU 32 -4.383 -9.116 -13.144 216 HD13 LEU 32 3HD1 LEU 32 -3.917 -9.766 -11.573 217 HD21 LEU 32 1HD2 LEU 32 -2.339 -8.490 -14.119 218 HD22 LEU 32 2HD2 LEU 32 -3.089 -9.686 -15.177 219 HD23 LEU 32 3HD2 LEU 32 -1.370 -9.796 -14.799 220 H SER 33 H SER 33 0.413 -11.208 -9.738 221 HA SER 33 HA SER 33 1.178 -13.926 -10.037 222 HB2 SER 33 2HB SER 33 2.145 -13.904 -12.059 223 HB3 SER 33 1HB SER 33 1.809 -12.185 -12.239 224 HG SER 33 HG SER 33 4.120 -13.472 -11.549 225 HA PRO 34 HA PRO 34 3.919 -12.729 -6.810 226 HB2 PRO 34 2HB PRO 34 6.069 -14.382 -7.180 227 HB3 PRO 34 1HB PRO 34 4.506 -14.937 -6.550 228 HG2 PRO 34 2HG PRO 34 5.636 -15.175 -9.291 229 HG3 PRO 34 1HG PRO 34 4.672 -16.335 -8.360 230 HD2 PRO 34 2HD PRO 34 3.616 -14.770 -10.347 231 HD3 PRO 34 1HD PRO 34 2.670 -15.363 -8.964 232 H TYR 35 H TYR 35 4.873 -12.341 -10.067 233 HA TYR 35 HA TYR 35 7.489 -11.340 -9.809 234 HB2 TYR 35 2HB TYR 35 5.764 -11.780 -11.899 235 HB3 TYR 35 1HB TYR 35 5.841 -10.019 -11.850 236 HD1 TYR 35 1HD TYR 35 8.065 -13.032 -11.702 237 HD2 TYR 35 2HD TYR 35 7.643 -8.919 -12.864 238 HE1 TYR 35 1HE TYR 35 10.305 -13.103 -12.762 239 HE2 TYR 35 2HE TYR 35 9.884 -8.989 -13.926 240 HH TYR 35 HH TYR 35 11.362 -11.149 -14.953 241 H ILE 36 H ILE 36 4.555 -9.380 -10.373 242 HA ILE 36 HA ILE 36 5.512 -7.432 -8.395 243 HB ILE 36 HB ILE 36 6.435 -6.489 -10.366 244 HG12 ILE 36 2HG1 ILE 36 3.747 -5.139 -10.342 245 HG13 ILE 36 1HG1 ILE 36 4.763 -5.083 -8.901 246 HG21 ILE 36 1HG2 ILE 36 4.686 -6.111 -12.330 247 HG22 ILE 36 2HG2 ILE 36 3.909 -7.519 -11.604 248 HG23 ILE 36 3HG2 ILE 36 5.570 -7.631 -12.189 249 HD11 ILE 36 1HD1 ILE 36 6.464 -3.892 -9.988 250 HD12 ILE 36 2HD1 ILE 36 5.005 -3.189 -10.687 251 HD13 ILE 36 3HD1 ILE 36 5.924 -4.394 -11.590 252 H MET 37 H MET 37 3.894 -6.293 -7.387 253 HA MET 37 HA MET 37 1.149 -7.185 -7.991 254 HB2 MET 37 2HB MET 37 2.323 -7.389 -5.649 255 HB3 MET 37 1HB MET 37 1.894 -5.684 -5.507 256 HG2 MET 37 2HG MET 37 -0.475 -6.384 -6.202 257 HG3 MET 37 1HG MET 37 0.045 -8.042 -5.900 258 HE1 MET 37 1HE MET 37 0.909 -8.961 -3.899 259 HE2 MET 37 2HE MET 37 -0.835 -9.031 -3.658 260 HE3 MET 37 3HE MET 37 0.216 -8.574 -2.318 261 H VAL 38 H VAL 38 -0.579 -5.650 -7.945 262 HA VAL 38 HA VAL 38 0.250 -2.852 -8.440 263 HB VAL 38 HB VAL 38 -0.390 -4.235 -10.521 264 HG11 VAL 38 1HG1 VAL 38 -3.202 -3.662 -9.608 265 HG12 VAL 38 2HG1 VAL 38 -2.420 -5.186 -9.185 266 HG13 VAL 38 3HG1 VAL 38 -2.652 -4.756 -10.879 267 HG21 VAL 38 1HG2 VAL 38 -1.474 -1.577 -9.661 268 HG22 VAL 38 2HG2 VAL 38 -2.028 -2.248 -11.196 269 HG23 VAL 38 3HG2 VAL 38 -0.309 -1.952 -10.931 270 H LYS 39 H LYS 39 -1.092 -1.268 -7.641 271 HA LYS 39 HA LYS 39 -3.647 -1.991 -6.439 272 HB2 LYS 39 2HB LYS 39 -3.082 -1.205 -4.224 273 HB3 LYS 39 1HB LYS 39 -1.928 -2.460 -4.679 274 HG2 LYS 39 2HG LYS 39 -0.568 -0.371 -5.617 275 HG3 LYS 39 1HG LYS 39 -1.511 0.486 -4.396 276 HD2 LYS 39 2HD LYS 39 -0.760 -1.534 -2.858 277 HD3 LYS 39 1HD LYS 39 0.547 -1.661 -4.037 278 HE2 LYS 39 2HE LYS 39 1.426 -0.176 -2.436 279 HE3 LYS 39 1HE LYS 39 0.807 0.906 -3.684 280 HZ1 LYS 39 1HZ LYS 39 -1.121 0.143 -1.670 281 HZ2 LYS 39 2HZ LYS 39 -0.798 1.667 -2.347 282 HZ3 LYS 39 3HZ LYS 39 0.173 1.072 -1.088 283 H ALA 40 H ALA 40 -4.946 -0.165 -5.918 284 HA ALA 40 HA ALA 40 -3.953 2.501 -6.490 285 HB1 ALA 40 1HB ALA 40 -4.502 1.517 -8.742 286 HB2 ALA 40 2HB ALA 40 -5.421 2.968 -8.335 287 HB3 ALA 40 3HB ALA 40 -6.177 1.379 -8.205 288 H GLY 41 H GLY 41 -5.281 4.118 -5.673 289 HA2 GLY 41 2HA GLY 41 -7.953 3.594 -4.752 290 HA3 GLY 41 1HA GLY 41 -6.787 3.662 -3.433 291 H TYR 42 H TYR 42 -7.943 5.541 -2.667 292 HA TYR 42 HA TYR 42 -7.053 7.999 -4.030 293 HB2 TYR 42 2HB TYR 42 -9.440 8.778 -2.948 294 HB3 TYR 42 1HB TYR 42 -9.208 8.333 -4.639 295 HD1 TYR 42 1HD TYR 42 -10.275 6.432 -5.553 296 HD2 TYR 42 2HD TYR 42 -10.091 6.936 -1.291 297 HE1 TYR 42 1HE TYR 42 -11.805 4.503 -5.258 298 HE2 TYR 42 2HE TYR 42 -11.623 5.008 -0.997 299 HH TYR 42 HH TYR 42 -13.123 3.668 -2.108 300 H GLY 43 H GLY 43 -6.443 9.647 -2.682 301 HA2 GLY 43 2HA GLY 43 -6.364 8.997 0.203 302 HA3 GLY 43 1HA GLY 43 -5.189 10.004 -0.636 303 H TRP 44 H TRP 44 -7.430 10.259 1.598 304 HA TRP 44 HA TRP 44 -8.651 12.744 0.575 305 HB2 TRP 44 2HB TRP 44 -9.587 10.587 2.269 306 HB3 TRP 44 1HB TRP 44 -9.764 12.147 3.071 307 HD1 TRP 44 HD TRP 44 -11.008 14.104 1.539 308 HE1 TRP 44 1HE TRP 44 -13.002 13.847 -0.074 309 HE3 TRP 44 3HE TRP 44 -10.818 9.071 0.698 310 HZ2 TRP 44 2HZ TRP 44 -14.340 11.779 -1.528 311 HZ3 TRP 44 3HZ TRP 44 -12.462 7.985 -0.804 312 HH2 TRP 44 HH TRP 44 -14.222 9.330 -1.918 313 H ASN 45 H ASN 45 -7.902 14.635 1.269 314 HA ASN 45 HA ASN 45 -5.964 14.691 3.457 315 HB2 ASN 45 2HB ASN 45 -5.511 15.867 1.298 316 HB3 ASN 45 1HB ASN 45 -6.867 16.939 1.645 317 HD21 ASN 45 1HD2 ASN 45 -5.882 18.904 2.216 318 HD22 ASN 45 2HD2 ASN 45 -4.673 19.058 3.396 319 H ASN 46 H ASN 46 -7.171 17.701 3.329 320 HA ASN 46 HA ASN 46 -8.301 17.645 5.912 321 HB2 ASN 46 2HB ASN 46 -7.392 19.703 5.091 322 HB3 ASN 46 1HB ASN 46 -8.457 19.683 3.686 323 HD21 ASN 46 1HD2 ASN 46 -9.102 19.193 7.209 324 HD22 ASN 46 2HD2 ASN 46 -10.309 20.383 7.294 325 H SER 47 H SER 47 -9.980 18.381 2.844 326 HA SER 47 HA SER 47 -12.157 16.610 3.415 327 HB2 SER 47 2HB SER 47 -13.601 18.988 3.308 328 HB3 SER 47 1HB SER 47 -13.370 17.968 4.726 329 HG SER 47 HG SER 47 -12.584 19.902 5.333 330 H SER 48 H SER 48 -11.007 19.464 1.670 331 HA SER 48 HA SER 48 -12.693 18.825 -0.632 332 HB2 SER 48 2HB SER 48 -12.240 21.200 0.229 333 HB3 SER 48 1HB SER 48 -10.634 21.021 -0.471 334 HG SER 48 HG SER 48 -13.142 20.813 -1.788 335 H LEU 49 H LEU 49 -11.165 19.530 -2.751 336 HA LEU 49 HA LEU 49 -9.708 18.622 -4.280 337 HB2 LEU 49 2HB LEU 49 -8.028 18.494 -1.769 338 HB3 LEU 49 1HB LEU 49 -7.403 18.139 -3.381 339 HG LEU 49 HG LEU 49 -8.923 20.673 -3.116 340 HD11 LEU 49 1HD1 LEU 49 -6.914 21.840 -2.191 341 HD12 LEU 49 2HD1 LEU 49 -6.184 20.265 -1.877 342 HD13 LEU 49 3HD1 LEU 49 -7.659 20.738 -1.032 343 HD21 LEU 49 1HD2 LEU 49 -7.147 21.444 -4.629 344 HD22 LEU 49 2HD2 LEU 49 -7.811 19.917 -5.211 345 HD23 LEU 49 3HD2 LEU 49 -6.258 19.942 -4.375 346 H ASN 50 H ASN 50 -8.473 16.619 -4.877 347 HA ASN 50 HA ASN 50 -9.128 14.241 -3.313 348 HB2 ASN 50 2HB ASN 50 -9.809 13.812 -6.110 349 HB3 ASN 50 1HB ASN 50 -10.729 13.421 -4.658 350 HD21 ASN 50 1HD2 ASN 50 -9.814 16.323 -6.609 351 HD22 ASN 50 2HD2 ASN 50 -11.302 17.111 -6.390 352 H ARG 51 H ARG 51 -7.406 12.956 -3.304 353 HA ARG 51 HA ARG 51 -5.384 13.288 -5.422 354 HB2 ARG 51 2HB ARG 51 -4.893 11.693 -2.940 355 HB3 ARG 51 1HB ARG 51 -3.771 12.676 -3.884 356 HG2 ARG 51 2HG ARG 51 -5.070 14.714 -3.124 357 HG3 ARG 51 1HG ARG 51 -5.940 13.655 -2.013 358 HD2 ARG 51 2HD ARG 51 -3.028 14.408 -2.008 359 HD3 ARG 51 1HD ARG 51 -4.186 14.467 -0.683 360 HE ARG 51 HE ARG 51 -4.052 11.813 -1.242 361 HH11 ARG 51 1HH1 ARG 51 -2.519 10.400 -0.339 362 HH12 ARG 51 2HH1 ARG 51 -0.989 11.013 0.191 363 HH21 ARG 51 1HH2 ARG 51 -1.691 14.288 -0.709 364 HH22 ARG 51 2HH2 ARG 51 -0.520 13.214 -0.019 365 H PHE 52 H PHE 52 -4.313 11.378 -6.254 366 HA PHE 52 HA PHE 52 -5.870 8.887 -6.029 367 HB2 PHE 52 2HB PHE 52 -5.376 10.510 -8.479 368 HB3 PHE 52 1HB PHE 52 -5.299 8.755 -8.628 369 HD1 PHE 52 1HD PHE 52 -7.457 11.621 -8.366 370 HD2 PHE 52 2HD PHE 52 -7.269 7.379 -7.718 371 HE1 PHE 52 1HE PHE 52 -9.933 11.513 -8.361 372 HE2 PHE 52 2HE PHE 52 -9.747 7.270 -7.715 373 HZ PHE 52 HZ PHE 52 -11.080 9.337 -8.036 374 H GLU 53 H GLU 53 -4.471 7.434 -5.277 375 HA GLU 53 HA GLU 53 -1.631 7.645 -5.956 376 HB2 GLU 53 2HB GLU 53 -2.106 7.271 -3.622 377 HB3 GLU 53 1HB GLU 53 -3.138 5.893 -4.005 378 HG2 GLU 53 2HG GLU 53 -0.314 5.853 -4.989 379 HG3 GLU 53 1HG GLU 53 -0.603 5.543 -3.278 380 H PHE 54 H PHE 54 -0.494 6.099 -7.079 381 HA PHE 54 HA PHE 54 -1.774 3.645 -7.945 382 HB2 PHE 54 2HB PHE 54 -2.444 5.611 -9.535 383 HB3 PHE 54 1HB PHE 54 -0.796 5.442 -10.139 384 HD1 PHE 54 1HD PHE 54 -4.137 4.104 -10.207 385 HD2 PHE 54 2HD PHE 54 -0.012 3.120 -10.893 386 HE1 PHE 54 1HE PHE 54 -4.830 2.140 -11.554 387 HE2 PHE 54 2HE PHE 54 -0.705 1.157 -12.241 388 HZ PHE 54 HZ PHE 54 -3.113 0.666 -12.571 389 H GLY 55 H GLY 55 -0.258 2.125 -7.859 390 HA2 GLY 55 2HA GLY 55 2.293 2.353 -9.083 391 HA3 GLY 55 1HA GLY 55 2.444 2.568 -7.341 392 H GLY 56 H GLY 56 3.760 0.579 -7.523 393 HA2 GLY 56 2HA GLY 56 2.040 -1.797 -7.232 394 HA3 GLY 56 1HA GLY 56 3.448 -1.873 -8.287 395 H GLY 57 H GLY 57 2.873 -3.404 -5.848 396 HA2 GLY 57 2HA GLY 57 4.971 -2.425 -4.020 397 HA3 GLY 57 1HA GLY 57 3.727 -3.601 -3.610 398 H LEU 58 H LEU 58 6.184 -4.322 -2.923 399 HA LEU 58 HA LEU 58 6.847 -6.428 -4.874 400 HB2 LEU 58 2HB LEU 58 8.448 -4.388 -4.913 401 HB3 LEU 58 1HB LEU 58 9.019 -5.003 -3.360 402 HG LEU 58 HG LEU 58 9.101 -7.300 -4.710 403 HD11 LEU 58 1HD1 LEU 58 9.846 -5.367 -6.894 404 HD12 LEU 58 2HD1 LEU 58 8.183 -5.934 -6.742 405 HD13 LEU 58 3HD1 LEU 58 9.488 -7.089 -7.014 406 HD21 LEU 58 1HD2 LEU 58 11.125 -5.045 -4.792 407 HD22 LEU 58 2HD2 LEU 58 11.496 -6.690 -5.312 408 HD23 LEU 58 3HD2 LEU 58 11.046 -6.375 -3.636 409 H GLN 59 H GLN 59 7.005 -8.383 -3.973 410 HA GLN 59 HA GLN 59 7.659 -8.616 -1.116 411 HB2 GLN 59 2HB GLN 59 5.792 -10.362 -0.966 412 HB3 GLN 59 1HB GLN 59 5.292 -8.671 -1.008 413 HG2 GLN 59 2HG GLN 59 4.343 -8.863 -3.073 414 HG3 GLN 59 1HG GLN 59 5.589 -9.969 -3.651 415 HE21 GLN 59 1HE2 GLN 59 4.267 -11.691 -4.403 416 HE22 GLN 59 2HE2 GLN 59 3.203 -12.555 -3.401 417 H TYR 60 H TYR 60 8.123 -10.899 -0.506 418 HA TYR 60 HA TYR 60 9.103 -12.498 -2.792 419 HB2 TYR 60 2HB TYR 60 10.719 -11.134 -0.958 420 HB3 TYR 60 1HB TYR 60 10.742 -12.815 -0.424 421 HD1 TYR 60 1HD TYR 60 11.632 -14.586 -1.849 422 HD2 TYR 60 2HD TYR 60 11.552 -10.500 -3.173 423 HE1 TYR 60 1HE TYR 60 13.174 -15.158 -3.705 424 HE2 TYR 60 2HE TYR 60 13.094 -11.072 -5.028 425 HH TYR 60 HH TYR 60 13.642 -14.088 -6.098 426 H LYS 61 H LYS 61 8.834 -14.683 -2.631 427 HA LYS 61 HA LYS 61 7.116 -15.617 -0.458 428 HB2 LYS 61 2HB LYS 61 8.005 -16.879 -3.059 429 HB3 LYS 61 1HB LYS 61 6.985 -17.695 -1.873 430 HG2 LYS 61 2HG LYS 61 6.087 -14.977 -2.586 431 HG3 LYS 61 1HG LYS 61 6.029 -16.137 -3.913 432 HD2 LYS 61 2HD LYS 61 4.653 -17.648 -2.634 433 HD3 LYS 61 1HD LYS 61 4.869 -16.687 -1.169 434 HE2 LYS 61 2HE LYS 61 3.202 -15.282 -1.746 435 HE3 LYS 61 1HE LYS 61 3.856 -15.071 -3.371 436 HZ1 LYS 61 1HZ LYS 61 2.002 -16.181 -3.942 437 HZ2 LYS 61 2HZ LYS 61 1.814 -16.899 -2.414 438 HZ3 LYS 61 3HZ LYS 61 2.914 -17.551 -3.533 439 H VAL 62 H VAL 62 7.761 -16.927 1.152 440 HA VAL 62 HA VAL 62 9.945 -18.739 0.975 441 HB VAL 62 HB VAL 62 11.128 -16.487 1.096 442 HG11 VAL 62 1HG1 VAL 62 11.006 -15.188 3.021 443 HG12 VAL 62 2HG1 VAL 62 10.484 -16.541 4.024 444 HG13 VAL 62 3HG1 VAL 62 9.347 -15.774 2.916 445 HG21 VAL 62 1HG2 VAL 62 12.685 -18.020 1.712 446 HG22 VAL 62 2HG2 VAL 62 11.531 -18.916 2.699 447 HG23 VAL 62 3HG2 VAL 62 12.348 -17.501 3.363 448 H THR 63 H THR 63 7.726 -16.854 2.938 449 HA THR 63 HA THR 63 7.441 -19.165 4.738 450 HB THR 63 HB THR 63 6.959 -16.968 6.359 451 HG1 THR 63 1HG THR 63 9.415 -16.265 5.548 452 HG21 THR 63 1HG2 THR 63 9.571 -18.471 6.007 453 HG22 THR 63 2HG2 THR 63 8.196 -19.048 6.948 454 HG23 THR 63 3HG2 THR 63 9.065 -17.600 7.454 455 HA PRO 64 HA PRO 64 3.063 -18.925 4.301 456 HB2 PRO 64 2HB PRO 64 2.885 -17.942 7.128 457 HB3 PRO 64 1HB PRO 64 1.965 -19.228 6.323 458 HG2 PRO 64 2HG PRO 64 3.983 -19.774 7.979 459 HG3 PRO 64 1HG PRO 64 3.649 -20.763 6.547 460 HD2 PRO 64 2HD PRO 64 5.880 -18.883 7.039 461 HD3 PRO 64 1HD PRO 64 5.790 -20.257 5.919 462 H ASP 65 H ASP 65 4.917 -16.218 5.298 463 HA ASP 65 HA ASP 65 3.886 -14.283 3.739 464 HB2 ASP 65 2HB ASP 65 2.001 -14.785 5.976 465 HB3 ASP 65 1HB ASP 65 2.398 -13.098 5.676 466 H LEU 66 H LEU 66 6.227 -14.099 4.206 467 HA LEU 66 HA LEU 66 6.674 -11.936 6.088 468 HB2 LEU 66 2HB LEU 66 7.047 -14.389 7.151 469 HB3 LEU 66 1HB LEU 66 8.628 -14.144 6.412 470 HG LEU 66 HG LEU 66 8.478 -11.774 7.547 471 HD11 LEU 66 1HD1 LEU 66 7.066 -11.569 9.390 472 HD12 LEU 66 2HD1 LEU 66 6.891 -13.314 9.580 473 HD13 LEU 66 3HD1 LEU 66 6.042 -12.477 8.280 474 HD21 LEU 66 1HD2 LEU 66 10.215 -13.250 8.197 475 HD22 LEU 66 2HD2 LEU 66 9.081 -14.419 8.876 476 HD23 LEU 66 3HD2 LEU 66 9.370 -12.888 9.703 477 H GLU 67 H GLU 67 7.531 -10.547 4.639 478 HA GLU 67 HA GLU 67 10.119 -11.114 3.529 479 HB2 GLU 67 2HB GLU 67 9.078 -10.487 1.141 480 HB3 GLU 67 1HB GLU 67 9.224 -12.156 1.691 481 HG2 GLU 67 2HG GLU 67 6.938 -11.463 0.771 482 HG3 GLU 67 1HG GLU 67 6.937 -12.243 2.350 483 HA PRO 68 HA PRO 68 10.439 -6.720 3.800 484 HB2 PRO 68 2HB PRO 68 11.882 -6.156 1.475 485 HB3 PRO 68 1HB PRO 68 12.585 -6.652 3.025 486 HG2 PRO 68 2HG PRO 68 12.043 -8.258 0.591 487 HG3 PRO 68 1HG PRO 68 13.366 -8.385 1.764 488 HD2 PRO 68 2HD PRO 68 11.291 -10.132 1.742 489 HD3 PRO 68 1HD PRO 68 12.113 -9.660 3.245 490 H TYR 69 H TYR 69 9.652 -4.735 2.846 491 HA TYR 69 HA TYR 69 7.734 -5.169 0.632 492 HB2 TYR 69 2HB TYR 69 6.992 -4.569 3.128 493 HB3 TYR 69 1HB TYR 69 7.331 -2.935 2.555 494 HD1 TYR 69 1HD TYR 69 5.875 -1.833 1.029 495 HD2 TYR 69 2HD TYR 69 5.387 -6.025 1.822 496 HE1 TYR 69 1HE TYR 69 3.722 -1.815 -0.204 497 HE2 TYR 69 2HE TYR 69 3.235 -6.008 0.589 498 HH TYR 69 HH TYR 69 2.290 -3.477 -1.421 499 H ALA 70 H ALA 70 7.900 -3.908 -1.106 500 HA ALA 70 HA ALA 70 9.305 -1.343 -0.936 501 HB1 ALA 70 1HB ALA 70 11.085 -1.910 -2.209 502 HB2 ALA 70 2HB ALA 70 10.112 -2.918 -3.280 503 HB3 ALA 70 3HB ALA 70 10.697 -3.568 -1.749 504 H TRP 71 H TRP 71 8.125 0.131 -1.970 505 HA TRP 71 HA TRP 71 6.618 -0.673 -4.371 506 HB2 TRP 71 2HB TRP 71 4.599 -0.128 -3.524 507 HB3 TRP 71 1HB TRP 71 5.374 -0.300 -1.949 508 HD1 TRP 71 HD TRP 71 6.732 2.089 -1.165 509 HE1 TRP 71 1HE TRP 71 5.781 4.485 -1.247 510 HE3 TRP 71 3HE TRP 71 2.986 1.436 -4.573 511 HZ2 TRP 71 2HZ TRP 71 3.706 5.932 -2.582 512 HZ3 TRP 71 3HZ TRP 71 1.540 3.337 -5.232 513 HH2 TRP 71 HH TRP 71 1.894 5.582 -4.241 514 H ALA 72 H ALA 72 5.885 1.211 -5.648 515 HA ALA 72 HA ALA 72 7.110 3.777 -5.171 516 HB1 ALA 72 1HB ALA 72 9.015 3.486 -6.311 517 HB2 ALA 72 2HB ALA 72 8.079 3.085 -7.751 518 HB3 ALA 72 3HB ALA 72 8.580 1.809 -6.642 519 H GLY 73 H GLY 73 6.179 5.387 -6.405 520 HA2 GLY 73 2HA GLY 73 4.831 5.096 -8.832 521 HA3 GLY 73 1HA GLY 73 3.644 4.859 -7.554 522 H ALA 74 H ALA 74 2.638 6.807 -8.443 523 HA ALA 74 HA ALA 74 3.747 9.212 -7.170 524 HB1 ALA 74 1HB ALA 74 4.009 8.831 -9.882 525 HB2 ALA 74 2HB ALA 74 3.996 10.399 -9.073 526 HB3 ALA 74 3HB ALA 74 2.510 9.756 -9.772 527 H THR 75 H THR 75 2.063 11.040 -7.319 528 HA THR 75 HA THR 75 -0.663 9.927 -7.034 529 HB THR 75 HB THR 75 0.053 12.257 -5.356 530 HG1 THR 75 1HG THR 75 0.733 10.185 -3.938 531 HG21 THR 75 1HG2 THR 75 -1.489 11.258 -3.859 532 HG22 THR 75 2HG2 THR 75 -1.295 9.667 -4.594 533 HG23 THR 75 3HG2 THR 75 -2.156 10.940 -5.461 534 H TYR 76 H TYR 76 -2.064 10.866 -8.362 535 HA TYR 76 HA TYR 76 -1.384 13.488 -9.521 536 HB2 TYR 76 2HB TYR 76 -3.483 11.518 -10.450 537 HB3 TYR 76 1HB TYR 76 -2.879 12.926 -11.323 538 HD1 TYR 76 1HD TYR 76 -0.483 12.983 -12.089 539 HD2 TYR 76 2HD TYR 76 -2.294 9.444 -10.463 540 HE1 TYR 76 1HE TYR 76 1.344 11.608 -13.049 541 HE2 TYR 76 2HE TYR 76 -0.467 8.068 -11.422 542 HH TYR 76 HH TYR 76 1.175 8.297 -13.371 543 H ASN 77 H ASN 77 -2.375 15.216 -8.719 544 HA ASN 77 HA ASN 77 -4.826 14.883 -7.149 545 HB2 ASN 77 2HB ASN 77 -2.768 16.265 -6.420 546 HB3 ASN 77 1HB ASN 77 -3.350 17.471 -7.566 547 HD21 ASN 77 1HD2 ASN 77 -4.746 15.395 -4.950 548 HD22 ASN 77 2HD2 ASN 77 -5.734 16.621 -4.318 549 H THR 78 H THR 78 -6.720 16.077 -7.556 550 HA THR 78 HA THR 78 -7.662 16.186 -10.134 551 HB THR 78 HB THR 78 -9.206 16.370 -8.316 552 HG1 THR 78 1HG THR 78 -9.283 18.967 -9.371 553 HG21 THR 78 1HG2 THR 78 -9.067 18.864 -7.220 554 HG22 THR 78 2HG2 THR 78 -7.359 18.522 -7.490 555 HG23 THR 78 3HG2 THR 78 -8.331 17.430 -6.503 556 H ASP 79 H ASP 79 -5.578 18.437 -8.527 557 HA ASP 79 HA ASP 79 -5.998 20.533 -10.512 558 HB2 ASP 79 2HB ASP 79 -4.322 20.284 -8.026 559 HB3 ASP 79 1HB ASP 79 -4.058 21.597 -9.171 560 H ASN 80 H ASN 80 -4.869 17.823 -11.181 561 HA ASN 80 HA ASN 80 -3.209 16.922 -12.492 562 HB2 ASN 80 2HB ASN 80 -3.135 19.827 -13.307 563 HB3 ASN 80 1HB ASN 80 -2.118 18.608 -14.074 564 HD21 ASN 80 1HD2 ASN 80 -5.346 17.775 -12.904 565 HD22 ASN 80 2HD2 ASN 80 -6.047 17.594 -14.439 566 H THR 81 H THR 81 -2.474 17.474 -9.827 567 HA THR 81 HA THR 81 0.240 18.581 -9.986 568 HB THR 81 HB THR 81 -0.938 17.518 -7.451 569 HG1 THR 81 1HG THR 81 -1.503 20.142 -8.116 570 HG21 THR 81 1HG2 THR 81 0.451 20.144 -7.817 571 HG22 THR 81 2HG2 THR 81 1.403 18.664 -7.934 572 HG23 THR 81 3HG2 THR 81 0.512 19.025 -6.455 573 H LEU 82 H LEU 82 1.956 17.305 -10.198 574 HA LEU 82 HA LEU 82 1.622 14.407 -9.889 575 HB2 LEU 82 2HB LEU 82 3.973 15.957 -10.999 576 HB3 LEU 82 1HB LEU 82 3.706 14.217 -11.117 577 HG LEU 82 HG LEU 82 1.365 15.148 -12.148 578 HD11 LEU 82 1HD1 LEU 82 3.533 17.092 -13.007 579 HD12 LEU 82 2HD1 LEU 82 2.146 17.494 -11.996 580 HD13 LEU 82 3HD1 LEU 82 1.901 17.005 -13.673 581 HD21 LEU 82 1HD2 LEU 82 2.789 13.453 -13.180 582 HD22 LEU 82 2HD2 LEU 82 3.991 14.675 -13.595 583 HD23 LEU 82 3HD2 LEU 82 2.409 14.693 -14.376 584 H VAL 83 H VAL 83 2.607 13.230 -8.337 585 HA VAL 83 HA VAL 83 4.637 14.531 -6.644 586 HB VAL 83 HB VAL 83 2.284 12.983 -5.547 587 HG11 VAL 83 1HG1 VAL 83 3.128 13.932 -3.394 588 HG12 VAL 83 2HG1 VAL 83 4.513 14.591 -4.263 589 HG13 VAL 83 3HG1 VAL 83 4.286 12.845 -4.160 590 HG21 VAL 83 1HG2 VAL 83 1.888 15.432 -4.587 591 HG22 VAL 83 2HG2 VAL 83 1.256 14.970 -6.168 592 HG23 VAL 83 3HG2 VAL 83 2.751 15.900 -6.053 593 HA PRO 84 HA PRO 84 5.832 10.192 -7.621 594 HB2 PRO 84 2HB PRO 84 8.332 10.696 -8.532 595 HB3 PRO 84 1HB PRO 84 6.895 10.875 -9.556 596 HG2 PRO 84 2HG PRO 84 8.563 12.945 -8.261 597 HG3 PRO 84 1HG PRO 84 7.659 13.005 -9.782 598 HD2 PRO 84 2HD PRO 84 6.834 14.101 -7.314 599 HD3 PRO 84 1HD PRO 84 5.816 13.872 -8.752 600 H ALA 85 H ALA 85 6.791 8.837 -6.172 601 HA ALA 85 HA ALA 85 9.069 9.585 -4.596 602 HB1 ALA 85 1HB ALA 85 6.776 8.967 -2.826 603 HB2 ALA 85 2HB ALA 85 6.779 10.573 -3.556 604 HB3 ALA 85 3HB ALA 85 8.143 10.050 -2.569 605 H ALA 86 H ALA 86 9.349 7.840 -2.771 606 HA ALA 86 HA ALA 86 8.288 5.236 -3.612 607 HB1 ALA 86 1HB ALA 86 11.252 5.670 -3.213 608 HB2 ALA 86 2HB ALA 86 10.485 5.688 -4.801 609 HB3 ALA 86 3HB ALA 86 10.443 4.225 -3.818 610 H GLY 87 H GLY 87 8.434 3.615 -1.999 611 HA2 GLY 87 2HA GLY 87 9.310 4.517 0.670 612 HA3 GLY 87 1HA GLY 87 7.684 3.877 0.456 613 H ALA 88 H ALA 88 10.063 2.899 2.011 614 HA ALA 88 HA ALA 88 9.973 0.131 1.014 615 HB1 ALA 88 1HB ALA 88 12.529 1.355 2.050 616 HB2 ALA 88 2HB ALA 88 12.127 1.333 0.334 617 HB3 ALA 88 3HB ALA 88 12.315 -0.182 1.214 618 H GLY 89 H GLY 89 9.611 -1.325 2.583 619 HA2 GLY 89 2HA GLY 89 10.376 -0.806 5.339 620 HA3 GLY 89 1HA GLY 89 8.641 -0.847 5.046 621 H PHE 90 H PHE 90 7.843 -2.744 5.683 622 HA PHE 90 HA PHE 90 8.823 -5.197 4.530 623 HB2 PHE 90 2HB PHE 90 8.781 -5.800 7.301 624 HB3 PHE 90 1HB PHE 90 10.156 -5.870 6.198 625 HD1 PHE 90 1HD PHE 90 11.861 -4.197 6.223 626 HD2 PHE 90 2HD PHE 90 8.260 -3.651 8.503 627 HE1 PHE 90 1HE PHE 90 12.880 -2.246 7.364 628 HE2 PHE 90 2HE PHE 90 9.279 -1.699 9.642 629 HZ PHE 90 HZ PHE 90 11.588 -0.995 9.074 630 H ARG 91 H ARG 91 7.506 -7.077 5.229 631 HA ARG 91 HA ARG 91 4.825 -6.272 6.185 632 HB2 ARG 91 2HB ARG 91 4.427 -6.556 3.900 633 HB3 ARG 91 1HB ARG 91 5.590 -7.876 3.762 634 HG2 ARG 91 2HG ARG 91 4.138 -9.430 4.759 635 HG3 ARG 91 1HG ARG 91 3.159 -8.172 5.514 636 HD2 ARG 91 2HD ARG 91 2.060 -7.644 3.517 637 HD3 ARG 91 1HD ARG 91 3.342 -8.325 2.518 638 HE ARG 91 HE ARG 91 1.920 -10.246 4.179 639 HH11 ARG 91 1HH1 ARG 91 0.778 -11.833 3.024 640 HH12 ARG 91 2HH1 ARG 91 0.520 -11.641 1.321 641 HH21 ARG 91 1HH2 ARG 91 2.188 -8.605 1.144 642 HH22 ARG 91 2HH2 ARG 91 1.319 -9.813 0.257 643 H TYR 92 H TYR 92 4.582 -7.220 8.100 644 HA TYR 92 HA TYR 92 5.616 -9.962 8.482 645 HB2 TYR 92 2HB TYR 92 5.396 -7.589 10.228 646 HB3 TYR 92 1HB TYR 92 4.964 -9.125 10.981 647 HD1 TYR 92 1HD TYR 92 6.710 -10.256 12.038 648 HD2 TYR 92 2HD TYR 92 7.562 -7.844 8.585 649 HE1 TYR 92 1HE TYR 92 9.114 -10.827 12.230 650 HE2 TYR 92 2HE TYR 92 9.966 -8.415 8.779 651 HH TYR 92 HH TYR 92 11.108 -10.761 11.175 652 H LYS 93 H LYS 93 4.290 -11.527 9.468 653 HA LYS 93 HA LYS 93 1.429 -11.097 9.000 654 HB2 LYS 93 2HB LYS 93 2.348 -13.106 8.024 655 HB3 LYS 93 1HB LYS 93 3.040 -13.593 9.571 656 HG2 LYS 93 2HG LYS 93 1.050 -14.362 10.364 657 HG3 LYS 93 1HG LYS 93 0.139 -13.037 9.636 658 HD2 LYS 93 2HD LYS 93 0.292 -14.109 7.435 659 HD3 LYS 93 1HD LYS 93 1.256 -15.417 8.123 660 HE2 LYS 93 2HE LYS 93 -1.055 -15.206 9.740 661 HE3 LYS 93 1HE LYS 93 -1.613 -15.130 8.068 662 HZ1 LYS 93 1HZ LYS 93 -0.840 -17.204 7.612 663 HZ2 LYS 93 2HZ LYS 93 -1.196 -17.410 9.261 664 HZ3 LYS 93 3HZ LYS 93 0.404 -17.133 8.764 665 H VAL 94 H VAL 94 0.345 -10.255 10.669 666 HA VAL 94 HA VAL 94 1.120 -10.999 13.408 667 HB VAL 94 HB VAL 94 -0.487 -8.740 12.239 668 HG11 VAL 94 1HG1 VAL 94 -0.536 -9.868 15.029 669 HG12 VAL 94 2HG1 VAL 94 -1.880 -9.288 14.046 670 HG13 VAL 94 3HG1 VAL 94 -0.756 -8.137 14.769 671 HG21 VAL 94 1HG2 VAL 94 1.249 -7.424 12.979 672 HG22 VAL 94 2HG2 VAL 94 2.146 -8.933 12.802 673 HG23 VAL 94 3HG2 VAL 94 1.553 -8.439 14.389 674 H SER 95 H SER 95 -1.839 -10.615 11.443 675 HA SER 95 HA SER 95 -3.215 -12.483 13.258 676 HB2 SER 95 2HB SER 95 -4.019 -10.120 11.813 677 HB3 SER 95 1HB SER 95 -5.024 -11.487 11.343 678 HG SER 95 HG SER 95 -4.619 -10.330 13.878 679 HA PRO 96 HA PRO 96 -3.310 -15.700 10.258 680 HB2 PRO 96 2HB PRO 96 -5.835 -16.718 10.524 681 HB3 PRO 96 1HB PRO 96 -4.556 -16.958 11.729 682 HG2 PRO 96 2HG PRO 96 -6.836 -15.047 11.745 683 HG3 PRO 96 1HG PRO 96 -6.134 -15.983 13.077 684 HD2 PRO 96 2HD PRO 96 -5.603 -13.324 12.679 685 HD3 PRO 96 1HD PRO 96 -4.461 -14.439 13.460 686 H GLU 97 H GLU 97 -6.283 -13.729 10.150 687 HA GLU 97 HA GLU 97 -6.452 -14.172 7.244 688 HB2 GLU 97 2HB GLU 97 -8.418 -13.148 9.291 689 HB3 GLU 97 1HB GLU 97 -8.706 -13.011 7.556 690 HG2 GLU 97 2HG GLU 97 -7.967 -15.652 8.810 691 HG3 GLU 97 1HG GLU 97 -9.640 -15.100 8.764 692 H VAL 98 H VAL 98 -5.210 -11.959 9.423 693 HA VAL 98 HA VAL 98 -5.214 -9.849 7.356 694 HB VAL 98 HB VAL 98 -5.872 -9.577 10.282 695 HG11 VAL 98 1HG1 VAL 98 -4.674 -7.560 8.388 696 HG12 VAL 98 2HG1 VAL 98 -4.221 -7.907 10.057 697 HG13 VAL 98 3HG1 VAL 98 -5.722 -7.050 9.711 698 HG21 VAL 98 1HG2 VAL 98 -7.902 -8.831 9.531 699 HG22 VAL 98 2HG2 VAL 98 -7.469 -9.758 8.093 700 HG23 VAL 98 3HG2 VAL 98 -7.197 -8.015 8.135 701 H LYS 99 H LYS 99 -3.360 -8.569 7.272 702 HA LYS 99 HA LYS 99 -1.101 -9.430 8.976 703 HB2 LYS 99 2HB LYS 99 -0.894 -8.782 6.030 704 HB3 LYS 99 1HB LYS 99 0.378 -9.407 7.081 705 HG2 LYS 99 2HG LYS 99 -0.273 -11.437 6.292 706 HG3 LYS 99 1HG LYS 99 -1.591 -11.273 7.454 707 HD2 LYS 99 2HD LYS 99 -2.988 -10.212 5.703 708 HD3 LYS 99 1HD LYS 99 -1.678 -10.430 4.542 709 HE2 LYS 99 2HE LYS 99 -2.833 -12.367 4.098 710 HE3 LYS 99 1HE LYS 99 -1.853 -12.957 5.440 711 HZ1 LYS 99 1HZ LYS 99 -3.634 -13.145 6.740 712 HZ2 LYS 99 2HZ LYS 99 -4.562 -12.993 5.324 713 HZ3 LYS 99 3HZ LYS 99 -4.250 -11.629 6.289 714 H LEU 100 H LEU 100 0.442 -7.840 9.449 715 HA LEU 100 HA LEU 100 -0.549 -5.092 9.113 716 HB2 LEU 100 2HB LEU 100 0.070 -6.152 11.396 717 HB3 LEU 100 1HB LEU 100 1.740 -5.902 10.888 718 HG LEU 100 HG LEU 100 0.783 -3.474 10.289 719 HD11 LEU 100 1HD1 LEU 100 -1.518 -4.172 11.061 720 HD12 LEU 100 2HD1 LEU 100 -0.884 -2.742 11.876 721 HD13 LEU 100 3HD1 LEU 100 -0.862 -4.304 12.694 722 HD21 LEU 100 1HD2 LEU 100 1.377 -2.923 12.798 723 HD22 LEU 100 2HD2 LEU 100 2.626 -3.550 11.721 724 HD23 LEU 100 3HD2 LEU 100 1.821 -4.628 12.860 725 H VAL 101 H VAL 101 0.704 -3.462 8.250 726 HA VAL 101 HA VAL 101 3.325 -4.201 7.126 727 HB VAL 101 HB VAL 101 2.795 -3.335 4.976 728 HG11 VAL 101 1HG1 VAL 101 0.244 -4.759 5.731 729 HG12 VAL 101 2HG1 VAL 101 1.788 -5.611 5.709 730 HG13 VAL 101 3HG1 VAL 101 1.165 -4.873 4.232 731 HG21 VAL 101 1HG2 VAL 101 1.544 -1.397 5.287 732 HG22 VAL 101 2HG2 VAL 101 0.448 -2.166 6.433 733 HG23 VAL 101 3HG2 VAL 101 0.295 -2.499 4.707 734 H VAL 102 H VAL 102 4.750 -2.442 6.812 735 HA VAL 102 HA VAL 102 3.889 0.199 7.682 736 HB VAL 102 HB VAL 102 6.227 0.057 9.041 737 HG11 VAL 102 1HG1 VAL 102 3.411 -0.608 9.925 738 HG12 VAL 102 2HG1 VAL 102 4.243 0.943 10.033 739 HG13 VAL 102 3HG1 VAL 102 4.738 -0.395 11.069 740 HG21 VAL 102 1HG2 VAL 102 6.225 -2.456 8.421 741 HG22 VAL 102 2HG2 VAL 102 4.919 -2.608 9.596 742 HG23 VAL 102 3HG2 VAL 102 6.506 -2.040 10.111 743 H GLU 103 H GLU 103 4.453 1.336 5.987 744 HA GLU 103 HA GLU 103 7.091 0.881 4.730 745 HB2 GLU 103 2HB GLU 103 4.479 1.876 3.600 746 HB3 GLU 103 1HB GLU 103 6.014 2.115 2.764 747 HG2 GLU 103 2HG GLU 103 4.876 0.061 1.989 748 HG3 GLU 103 1HG GLU 103 6.411 -0.311 2.772 749 H TYR 104 H TYR 104 8.486 2.567 4.494 750 HA TYR 104 HA TYR 104 7.740 5.078 5.849 751 HB2 TYR 104 2HB TYR 104 10.471 3.963 5.162 752 HB3 TYR 104 1HB TYR 104 10.164 5.460 6.042 753 HD1 TYR 104 1HD TYR 104 9.467 1.786 6.134 754 HD2 TYR 104 2HD TYR 104 9.859 5.430 8.375 755 HE1 TYR 104 1HE TYR 104 9.277 0.506 8.249 756 HE2 TYR 104 2HE TYR 104 9.669 4.150 10.491 757 HH TYR 104 HH TYR 104 8.426 1.487 10.921 758 H GLY 105 H GLY 105 7.207 6.728 4.578 759 HA2 GLY 105 2HA GLY 105 7.852 6.721 1.755 760 HA3 GLY 105 1HA GLY 105 6.896 7.929 2.608 761 H TRP 106 H TRP 106 9.383 7.895 0.735 762 HA TRP 106 HA TRP 106 10.673 10.153 2.015 763 HB2 TRP 106 2HB TRP 106 12.013 8.475 3.042 764 HB3 TRP 106 1HB TRP 106 12.128 7.551 1.544 765 HD1 TRP 106 HD TRP 106 13.552 10.588 3.321 766 HE1 TRP 106 1HE TRP 106 15.607 11.441 2.019 767 HE3 TRP 106 3HE TRP 106 13.210 7.687 -0.868 768 HZ2 TRP 106 2HZ TRP 106 16.931 10.956 -0.469 769 HZ3 TRP 106 3HZ TRP 106 14.880 7.901 -2.686 770 HH2 TRP 106 HH TRP 106 16.739 9.531 -2.493 771 H ASN 107 H ASN 107 12.239 11.202 0.565 772 HA ASN 107 HA ASN 107 12.414 10.383 -2.183 773 HB2 ASN 107 2HB ASN 107 10.054 11.379 -1.893 774 HB3 ASN 107 1HB ASN 107 10.876 12.929 -1.722 775 HD21 ASN 107 1HD2 ASN 107 10.975 10.073 -3.940 776 HD22 ASN 107 2HD2 ASN 107 11.153 11.003 -5.350 777 H ASN 108 H ASN 108 13.672 11.912 -3.477 778 HA ASN 108 HA ASN 108 15.986 12.793 -2.315 779 HB2 ASN 108 2HB ASN 108 14.576 14.020 -4.695 780 HB3 ASN 108 1HB ASN 108 16.271 14.268 -4.282 781 HD21 ASN 108 1HD2 ASN 108 17.742 12.414 -4.509 782 HD22 ASN 108 2HD2 ASN 108 17.297 11.063 -5.436 783 H SER 109 H SER 109 16.144 14.070 -0.577 784 HA SER 109 HA SER 109 15.779 15.816 0.884 785 HB2 SER 109 2HB SER 109 15.451 17.461 -1.623 786 HB3 SER 109 1HB SER 109 16.098 17.972 -0.067 787 HG SER 109 HG SER 109 17.677 16.147 -0.538 788 H SER 110 H SER 110 13.758 15.071 1.685 789 HA SER 110 HA SER 110 11.625 16.947 1.357 790 HB2 SER 110 2HB SER 110 11.535 15.177 -0.635 791 HB3 SER 110 1HB SER 110 10.744 14.201 0.600 792 HG SER 110 HG SER 110 9.449 15.747 -0.780 793 H LEU 111 H LEU 111 9.989 16.685 2.925 794 HA LEU 111 HA LEU 111 10.749 15.712 5.398 795 HB2 LEU 111 2HB LEU 111 8.233 16.611 4.164 796 HB3 LEU 111 1HB LEU 111 8.013 15.509 5.522 797 HG LEU 111 HG LEU 111 8.106 17.939 6.180 798 HD11 LEU 111 1HD1 LEU 111 9.449 15.704 7.342 799 HD12 LEU 111 2HD1 LEU 111 8.794 17.123 8.158 800 HD13 LEU 111 3HD1 LEU 111 10.462 17.125 7.587 801 HD21 LEU 111 1HD2 LEU 111 9.877 19.274 5.659 802 HD22 LEU 111 2HD2 LEU 111 10.156 18.092 4.381 803 HD23 LEU 111 3HD2 LEU 111 11.050 17.979 5.898 804 H GLN 112 H GLN 112 10.109 13.876 6.633 805 HA GLN 112 HA GLN 112 9.621 11.480 4.970 806 HB2 GLN 112 2HB GLN 112 10.997 11.812 7.642 807 HB3 GLN 112 1HB GLN 112 10.628 10.248 6.914 808 HG2 GLN 112 2HG GLN 112 12.406 10.390 5.542 809 HG3 GLN 112 1HG GLN 112 11.913 11.990 4.988 810 HE21 GLN 112 1HE2 GLN 112 13.579 13.453 5.346 811 HE22 GLN 112 2HE2 GLN 112 14.574 13.481 6.721 812 H PHE 113 H PHE 113 8.081 9.973 5.588 813 HA PHE 113 HA PHE 113 6.410 10.590 7.925 814 HB2 PHE 113 2HB PHE 113 4.618 9.809 5.897 815 HB3 PHE 113 1HB PHE 113 4.741 11.391 6.663 816 HD1 PHE 113 1HD PHE 113 5.443 9.424 3.681 817 HD2 PHE 113 2HD PHE 113 6.229 13.147 5.674 818 HE1 PHE 113 1HE PHE 113 6.271 10.390 1.552 819 HE2 PHE 113 2HE PHE 113 7.056 14.112 3.544 820 HZ PHE 113 HZ PHE 113 7.077 12.734 1.483 821 H LEU 114 H LEU 114 5.030 8.814 8.561 822 HA LEU 114 HA LEU 114 6.137 6.201 7.731 823 HB2 LEU 114 2HB LEU 114 5.642 7.363 10.298 824 HB3 LEU 114 1HB LEU 114 4.577 5.970 10.100 825 HG LEU 114 HG LEU 114 7.564 5.934 9.574 826 HD11 LEU 114 1HD1 LEU 114 5.895 5.252 11.983 827 HD12 LEU 114 2HD1 LEU 114 7.429 6.120 11.905 828 HD13 LEU 114 3HD1 LEU 114 7.392 4.372 11.673 829 HD21 LEU 114 1HD2 LEU 114 6.365 3.378 10.085 830 HD22 LEU 114 2HD2 LEU 114 7.167 3.934 8.615 831 HD23 LEU 114 3HD2 LEU 114 5.435 4.190 8.825 832 H GLN 115 H GLN 115 4.836 4.728 6.815 833 HA GLN 115 HA GLN 115 1.948 5.350 6.659 834 HB2 GLN 115 2HB GLN 115 3.644 3.757 4.725 835 HB3 GLN 115 1HB GLN 115 1.937 4.155 4.532 836 HG2 GLN 115 2HG GLN 115 2.830 6.632 4.886 837 HG3 GLN 115 1HG GLN 115 4.337 5.928 4.303 838 HE21 GLN 115 1HE2 GLN 115 4.548 6.089 2.075 839 HE22 GLN 115 2HE2 GLN 115 3.261 6.075 0.969 840 H ALA 116 H ALA 116 0.622 4.005 7.658 841 HA ALA 116 HA ALA 116 1.492 1.218 8.135 842 HB1 ALA 116 1HB ALA 116 -0.354 2.658 10.014 843 HB2 ALA 116 2HB ALA 116 1.391 2.867 10.162 844 HB3 ALA 116 3HB ALA 116 0.679 1.261 10.321 845 H GLY 117 H GLY 117 0.095 -0.317 7.481 846 HA2 GLY 117 2HA GLY 117 -2.738 0.339 7.135 847 HA3 GLY 117 1HA GLY 117 -1.847 -0.149 5.698 848 H LEU 118 H LEU 118 -3.682 -1.809 5.897 849 HA LEU 118 HA LEU 118 -2.509 -4.257 6.929 850 HB2 LEU 118 2HB LEU 118 -4.692 -4.839 8.115 851 HB3 LEU 118 1HB LEU 118 -3.663 -3.654 8.920 852 HG LEU 118 HG LEU 118 -5.495 -2.410 7.015 853 HD11 LEU 118 1HD1 LEU 118 -6.956 -4.275 7.660 854 HD12 LEU 118 2HD1 LEU 118 -7.530 -2.777 8.390 855 HD13 LEU 118 3HD1 LEU 118 -6.644 -3.950 9.365 856 HD21 LEU 118 1HD2 LEU 118 -5.918 -0.961 8.961 857 HD22 LEU 118 2HD2 LEU 118 -4.187 -1.231 8.765 858 HD23 LEU 118 3HD2 LEU 118 -5.080 -2.105 10.008 859 H SER 119 H SER 119 -2.990 -5.928 5.622 860 HA SER 119 HA SER 119 -4.975 -5.455 3.497 861 HB2 SER 119 2HB SER 119 -3.806 -7.297 2.317 862 HB3 SER 119 1HB SER 119 -2.726 -5.963 2.714 863 HG SER 119 HG SER 119 -1.744 -7.177 4.173 864 H TYR 120 H TYR 120 -6.493 -7.054 2.933 865 HA TYR 120 HA TYR 120 -6.804 -9.371 4.684 866 HB2 TYR 120 2HB TYR 120 -8.219 -8.211 6.025 867 HB3 TYR 120 1HB TYR 120 -8.488 -6.950 4.820 868 HD1 TYR 120 1HD TYR 120 -9.224 -10.583 5.411 869 HD2 TYR 120 2HD TYR 120 -10.558 -6.859 3.733 870 HE1 TYR 120 1HE TYR 120 -11.389 -11.630 4.806 871 HE2 TYR 120 2HE TYR 120 -12.721 -7.906 3.130 872 HH TYR 120 HH TYR 120 -13.610 -11.076 4.259 873 H ARG 121 H ARG 121 -6.944 -10.949 3.217 874 HA ARG 121 HA ARG 121 -7.966 -10.554 0.572 875 HB2 ARG 121 2HB ARG 121 -7.704 -13.284 1.754 876 HB3 ARG 121 1HB ARG 121 -7.259 -12.707 0.148 877 HG2 ARG 121 2HG ARG 121 -5.531 -11.231 1.496 878 HG3 ARG 121 1HG ARG 121 -5.750 -12.475 2.728 879 HD2 ARG 121 2HD ARG 121 -4.901 -12.927 -0.147 880 HD3 ARG 121 1HD ARG 121 -3.880 -13.082 1.279 881 HE ARG 121 HE ARG 121 -5.698 -15.050 0.284 882 HH11 ARG 121 1HH1 ARG 121 -5.982 -16.922 1.539 883 HH12 ARG 121 2HH1 ARG 121 -5.510 -16.920 3.205 884 HH21 ARG 121 1HH2 ARG 121 -4.397 -13.636 3.163 885 HH22 ARG 121 2HH2 ARG 121 -4.613 -15.060 4.125 886 H ILE 122 H ILE 122 -9.921 -11.077 -0.290 887 HA ILE 122 HA ILE 122 -12.084 -11.602 1.617 888 HB ILE 122 HB ILE 122 -12.249 -9.720 -0.028 889 HG12 ILE 122 2HG1 ILE 122 -14.296 -11.928 -0.409 890 HG13 ILE 122 1HG1 ILE 122 -14.251 -10.833 0.973 891 HG21 ILE 122 1HG2 ILE 122 -11.145 -11.326 -1.830 892 HG22 ILE 122 2HG2 ILE 122 -12.294 -10.081 -2.321 893 HG23 ILE 122 3HG2 ILE 122 -12.826 -11.755 -2.151 894 HD11 ILE 122 1HD1 ILE 122 -15.850 -9.989 -0.668 895 HD12 ILE 122 2HD1 ILE 122 -14.620 -10.044 -1.931 896 HD13 ILE 122 3HD1 ILE 122 -14.461 -8.905 -0.595 897 H GLN 123 H GLN 123 -10.253 -13.163 -0.851 898 HA GLN 123 HA GLN 123 -11.979 -15.542 -0.599 899 HB2 GLN 123 2HB GLN 123 -11.194 -14.075 -3.044 900 HB3 GLN 123 1HB GLN 123 -11.022 -15.827 -3.127 901 HG2 GLN 123 2HG GLN 123 -13.319 -16.187 -2.666 902 HG3 GLN 123 1HG GLN 123 -13.542 -14.540 -2.077 903 HE21 GLN 123 1HE2 GLN 123 -14.780 -13.395 -3.567 904 HE22 GLN 123 2HE2 GLN 123 -14.613 -13.498 -5.253 905 HA PRO 124 HA PRO 124 -8.186 -17.652 0.208 906 HB2 PRO 124 2HB PRO 124 -8.648 -20.119 -0.893 907 HB3 PRO 124 1HB PRO 124 -9.383 -19.571 0.625 908 HG2 PRO 124 2HG PRO 124 -10.548 -19.690 -2.106 909 HG3 PRO 124 1HG PRO 124 -11.299 -20.038 -0.540 910 HD2 PRO 124 2HD PRO 124 -11.698 -17.692 -1.896 911 HD3 PRO 124 1HD PRO 124 -11.781 -17.819 -0.124
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