NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
2549 | 1c2n | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 -8.407 -11.511 -11.511 2 2H GLY 1 2H GLY 1 -7.951 -10.027 -10.027 3 1HA GLY 1 1HA GLY 1 -7.760 -12.642 -12.642 4 2HA GLY 1 2HA GLY 1 -7.249 -11.097 -11.097 5 H ASP 2 HN ASP 2 -9.000 -12.625 -12.625 6 HA ASP 2 HA ASP 2 -11.772 -12.045 -12.045 7 1HB ASP 2 1HB ASP 2 -11.000 -14.117 -14.117 8 2HB ASP 2 2HB ASP 2 -10.602 -13.173 -13.173 9 H ALA 3 H ALA 3 -11.574 -9.753 -9.753 10 HA ALA 3 HA ALA 3 -10.903 -7.890 -7.890 11 1HB ALA 3 1HB ALA 3 -11.705 -7.344 -7.344 12 2HB ALA 3 2HB ALA 3 -13.358 -7.830 -7.830 13 3HB ALA 3 3HB ALA 3 -12.609 -6.414 -6.414 14 H ALA 4 H ALA 4 -13.842 -9.925 -9.925 15 HA ALA 4 HA ALA 4 -15.146 -8.370 -8.370 16 1HB ALA 4 1HB ALA 4 -16.385 -9.942 -9.942 17 2HB ALA 4 2HB ALA 4 -15.508 -11.311 -11.311 18 3HB ALA 4 3HB ALA 4 -16.578 -10.320 -10.320 19 H LYS 5 HN LYS 5 -13.087 -11.343 -11.343 20 HA LYS 5 HA LYS 5 -12.980 -11.544 -11.544 21 1HB LYS 5 1HB LYS 5 -11.005 -12.428 -12.428 22 2HB LYS 5 2HB LYS 5 -10.795 -12.690 -12.690 23 1HG LYS 5 1HG LYS 5 -12.815 -14.004 -14.004 24 2HG LYS 5 2HG LYS 5 -13.221 -13.681 -13.681 25 1HD LYS 5 2HD LYS 5 -12.304 -15.927 -15.927 26 2HD LYS 5 1HD LYS 5 -11.292 -14.989 -14.989 27 1HE LYS 5 1HE LYS 5 -10.620 -15.178 -15.178 28 2HE LYS 5 2HE LYS 5 -10.187 -16.476 -16.476 29 1HZ LYS 5 1HZ LYS 5 -8.952 -14.938 -14.938 30 2HZ LYS 5 2HZ LYS 5 -9.315 -13.693 -13.693 31 3HZ LYS 5 3HZ LYS 5 -8.407 -14.947 -14.947 32 H GLY 6 H GLY 6 -10.999 -9.786 -9.786 33 1HA GLY 6 1HA GLY 6 -9.067 -8.669 -8.669 34 2HA GLY 6 2HA GLY 6 -9.718 -7.895 -7.895 35 H GLU 7 HN GLU 7 -12.324 -7.337 -7.337 36 HA GLU 7 HA GLU 7 -12.191 -5.047 -5.047 37 1HB GLU 7 1HB GLU 7 -13.951 -5.505 -5.505 38 2HB GLU 7 2HB GLU 7 -14.667 -6.724 -6.724 39 1HG GLU 7 2HG GLU 7 -15.327 -5.131 -5.131 40 2HG GLU 7 1HG GLU 7 -14.227 -3.898 -3.898 41 H LYS 8 HN LYS 8 -13.411 -8.323 -8.323 42 HA LYS 8 HA LYS 8 -14.129 -7.666 -7.666 43 1HB LYS 8 2HB LYS 8 -13.248 -10.322 -10.322 44 2HB LYS 8 1HB LYS 8 -13.990 -10.118 -10.118 45 1HG LYS 8 2HG LYS 8 -16.021 -9.188 -9.188 46 2HG LYS 8 1HG LYS 8 -15.310 -9.306 -9.306 47 1HD LYS 8 2HD LYS 8 -15.045 -11.790 -11.790 48 2HD LYS 8 1HD LYS 8 -15.946 -11.640 -11.640 49 1HE LYS 8 1HE LYS 8 -16.960 -10.907 -10.907 50 2HE LYS 8 2HE LYS 8 -17.395 -12.361 -12.361 51 1HZ LYS 8 2HZ LYS 8 -18.364 -10.945 -10.945 52 2HZ LYS 8 3HZ LYS 8 -17.989 -9.598 -9.598 53 3HZ LYS 8 1HZ LYS 8 -19.062 -10.694 -10.694 54 H GLU 9 HN GLU 9 -11.163 -9.070 -9.070 55 HA GLU 9 HA GLU 9 -9.645 -9.363 -9.363 56 1HB GLU 9 2HB GLU 9 -9.231 -10.289 -10.289 57 2HB GLU 9 1HB GLU 9 -8.624 -8.687 -8.687 58 1HG GLU 9 1HG GLU 9 -6.702 -9.868 -9.868 59 2HG GLU 9 2HG GLU 9 -6.962 -9.057 -9.057 60 H PHE 10 H PHE 10 -10.183 -6.551 -6.551 61 HA PHE 10 HA PHE 10 -8.272 -4.835 -4.835 62 1HB PHE 10 1HB PHE 10 -10.170 -4.532 -4.532 63 2HB PHE 10 2HB PHE 10 -11.045 -3.764 -3.764 64 HD1 PHE 10 HD1 PHE 10 -8.006 -3.646 -3.646 65 HD2 PHE 10 HD2 PHE 10 -10.252 -1.606 -1.606 66 HE1 PHE 10 HE1 PHE 10 -6.547 -1.662 -1.662 67 HE2 PHE 10 HE2 PHE 10 -8.783 0.394 0.394 68 HZ PHE 10 HZ PHE 10 -7.010 0.406 0.406 69 H ASN 11 H ASN 11 -10.953 -6.090 -6.090 70 HA ASN 11 HA ASN 11 -11.276 -4.122 -4.122 71 1HB ASN 11 2HB ASN 11 -12.110 -5.722 -5.722 72 2HB ASN 11 1HB ASN 11 -12.496 -6.381 -6.381 73 1HD2 ASN 11 2HD2 ASN 11 -10.310 -9.225 -9.225 74 2HD2 ASN 11 1HD2 ASN 11 -11.181 -8.247 -8.247 75 H LYS 12 HN LYS 12 -8.555 -6.360 -6.360 76 HA LYS 12 HA LYS 12 -7.209 -5.613 -5.613 77 1HB LYS 12 1HB LYS 12 -6.313 -7.184 -7.184 78 2HB LYS 12 2HB LYS 12 -5.325 -6.914 -6.914 79 1HG LYS 12 1HG LYS 12 -7.067 -7.945 -7.945 80 2HG LYS 12 2HG LYS 12 -8.069 -8.264 -8.264 81 1HD LYS 12 1HD LYS 12 -5.270 -9.411 -9.411 82 2HD LYS 12 2HD LYS 12 -6.783 -10.233 -10.233 83 1HE LYS 12 2HE LYS 12 -7.510 -10.015 -10.015 84 2HE LYS 12 1HE LYS 12 -5.891 -9.406 -9.406 85 1HZ LYS 12 3HZ LYS 12 -5.003 -11.467 -11.467 86 2HZ LYS 12 2HZ LYS 12 -6.523 -12.026 -12.026 87 3HZ LYS 12 1HZ LYS 12 -6.057 -11.731 -11.731 88 H CYS 13 H CYS 13 -6.777 -4.925 -4.925 89 HA CYS 13 HA CYS 13 -4.558 -3.354 -3.354 90 1HB CYS 13 1HB CYS 13 -7.087 -2.893 -2.893 91 2HB CYS 13 2HB CYS 13 -5.523 -2.116 -2.116 92 H LYS 14 HN LYS 14 -7.942 -2.289 -2.289 93 HA LYS 14 HA LYS 14 -7.391 0.423 0.423 94 1HB LYS 14 2HB LYS 14 -9.617 0.747 0.747 95 2HB LYS 14 1HB LYS 14 -9.584 -0.489 -0.489 96 1HG LYS 14 2HG LYS 14 -9.917 -2.233 -2.233 97 2HG LYS 14 1HG LYS 14 -9.830 -1.109 -1.109 98 1HD LYS 14 1HD LYS 14 -11.978 -1.090 -1.090 99 2HD LYS 14 2HD LYS 14 -12.146 -1.763 -1.763 100 1HE LYS 14 1HE LYS 14 -11.624 0.526 0.526 101 2HE LYS 14 2HE LYS 14 -11.698 1.173 1.173 102 1HZ LYS 14 3HZ LYS 14 -13.942 0.429 0.429 103 2HZ LYS 14 2HZ LYS 14 -13.889 -0.143 -0.143 104 3HZ LYS 14 1HZ LYS 14 -13.716 1.472 1.472 105 H THR 15 H THR 15 -6.600 -1.954 -1.954 106 HA THR 15 HA THR 15 -7.095 -0.598 -0.598 107 HB THR 15 HB THR 15 -4.734 -2.396 -2.396 108 HG1 THR 15 HG1 THR 15 -6.596 -3.484 -3.484 109 1HG2 THR 15 2HG2 THR 15 -6.078 -1.761 -1.761 110 2HG2 THR 15 3HG2 THR 15 -4.827 -2.993 -2.993 111 3HG2 THR 15 1HG2 THR 15 -4.435 -1.281 -1.281 112 H CYS 16 H CYS 16 -4.667 -0.191 -0.191 113 HA CYS 16 HA CYS 16 -3.527 2.174 2.174 114 1HB CYS 16 1HB CYS 16 -2.280 0.277 0.277 115 2HB CYS 16 2HB CYS 16 -1.612 1.864 1.864 116 H HIS 17 HN HIS 17 -4.739 0.851 0.851 117 HA HIS 17 HA HIS 17 -4.372 3.479 3.479 118 1HB HIS 17 2HB HIS 17 -5.217 0.755 0.755 119 2HB HIS 17 1HB HIS 17 -4.861 2.156 2.156 120 HD1 HIS 17 HD1 HIS 17 -2.470 3.108 3.108 121 HD2 HIS 17 HD2 HIS 17 -2.755 -0.639 -0.639 122 HE1 HIS 17 HE1 HIS 17 -0.184 2.070 2.070 123 H SER 18 H SER 18 -6.135 3.605 3.605 124 HA SER 18 HA SER 18 -8.890 3.119 3.119 125 1HB SER 18 1HB SER 18 -7.683 5.922 5.922 126 2HB SER 18 2HB SER 18 -9.390 5.647 5.647 127 HG SER 18 HG SER 18 -8.009 4.786 4.786 128 H ILE 19 H ILE 19 -10.203 4.316 4.316 129 HA ILE 19 HA ILE 19 -8.834 4.515 4.515 130 HB ILE 19 HB ILE 19 -10.854 2.444 2.444 131 1HG1 ILE 19 1HG1 ILE 19 -8.993 2.415 2.415 132 2HG1 ILE 19 2HG1 ILE 19 -8.373 2.155 2.155 133 1HG2 ILE 19 2HG2 ILE 19 -11.031 3.839 3.839 134 2HG2 ILE 19 3HG2 ILE 19 -11.809 2.305 2.305 135 3HG2 ILE 19 1HG2 ILE 19 -12.282 3.772 3.772 136 1HD1 ILE 19 3HD1 ILE 19 -9.995 0.282 0.282 137 2HD1 ILE 19 2HD1 ILE 19 -10.532 0.475 0.475 138 3HD1 ILE 19 1HD1 ILE 19 -8.863 0.000 0.000 139 H ILE 20 H ILE 20 -9.773 6.167 6.167 140 HA ILE 20 HA ILE 20 -11.771 7.836 7.836 141 HB ILE 20 HB ILE 20 -9.159 8.459 8.459 142 1HG1 ILE 20 1HG1 ILE 20 -9.894 10.953 10.953 143 2HG1 ILE 20 2HG1 ILE 20 -11.526 10.272 10.272 144 1HG2 ILE 20 2HG2 ILE 20 -8.855 8.192 8.192 145 2HG2 ILE 20 3HG2 ILE 20 -9.890 9.614 9.614 146 3HG2 ILE 20 1HG2 ILE 20 -8.373 9.765 9.765 147 1HD1 ILE 20 1HD1 ILE 20 -11.057 9.177 9.177 148 2HD1 ILE 20 3HD1 ILE 20 -9.488 9.994 9.994 149 3HD1 ILE 20 2HD1 ILE 20 -10.978 10.955 10.955 150 H ALA 21 H ALA 21 -13.305 8.857 8.857 151 HA ALA 21 HA ALA 21 -13.562 7.693 7.693 152 1HB ALA 21 3HB ALA 21 -15.537 8.321 8.321 153 2HB ALA 21 1HB ALA 21 -15.051 10.020 10.020 154 3HB ALA 21 2HB ALA 21 -15.548 9.115 9.115 155 HA PRO 22 HA PRO 22 -11.253 10.767 10.767 156 1HB PRO 22 2HB PRO 22 -13.850 11.302 11.302 157 2HB PRO 22 1HB PRO 22 -12.200 11.143 11.143 158 1HG PRO 22 2HG PRO 22 -13.888 9.025 9.025 159 2HG PRO 22 1HG PRO 22 -12.200 8.791 8.791 160 1HD PRO 22 2HD PRO 22 -14.665 8.971 8.971 161 2HD PRO 22 1HD PRO 22 -13.265 7.862 7.862 162 H ASP 23 HN ASP 23 -14.551 11.757 11.757 163 HA ASP 23 HA ASP 23 -14.052 14.593 14.593 164 1HB ASP 23 1HB ASP 23 -16.334 14.625 14.625 165 2HB ASP 23 2HB ASP 23 -16.261 13.713 13.713 166 H GLY 24 H GLY 24 -13.080 12.186 12.186 167 1HA GLY 24 1HA GLY 24 -11.791 12.759 12.759 168 2HA GLY 24 2HA GLY 24 -12.759 14.198 14.198 169 H THR 25 H THR 25 -15.232 12.132 12.132 170 HA THR 25 HA THR 25 -15.837 11.841 11.841 171 HB THR 25 HB THR 25 -16.901 10.190 10.190 172 HG1 THR 25 HG1 THR 25 -17.289 12.368 12.368 173 1HG2 THR 25 1HG2 THR 25 -18.043 10.707 10.707 174 2HG2 THR 25 2HG2 THR 25 -18.891 9.908 9.908 175 3HG2 THR 25 3HG2 THR 25 -17.475 9.135 9.135 176 H GLU 26 HN GLU 26 -15.102 10.560 10.560 177 HA GLU 26 HA GLU 26 -13.131 8.543 8.543 178 1HB GLU 26 2HB GLU 26 -14.734 9.110 9.110 179 2HB GLU 26 1HB GLU 26 -13.178 8.278 8.278 180 1HG GLU 26 1HG GLU 26 -12.241 10.451 10.451 181 2HG GLU 26 2HG GLU 26 -13.762 11.236 11.236 182 H ILE 27 H ILE 27 -14.279 7.134 7.134 183 HA ILE 27 HA ILE 27 -16.583 5.647 5.647 184 HB ILE 27 HB ILE 27 -14.193 4.731 4.731 185 1HG1 ILE 27 2HG1 ILE 27 -14.982 6.756 6.756 186 2HG1 ILE 27 1HG1 ILE 27 -15.516 5.425 5.425 187 1HG2 ILE 27 3HG2 ILE 27 -17.040 3.661 3.661 188 2HG2 ILE 27 2HG2 ILE 27 -15.858 3.240 3.240 189 3HG2 ILE 27 1HG2 ILE 27 -15.549 2.806 2.806 190 1HD1 ILE 27 1HD1 ILE 27 -17.801 5.576 5.576 191 2HD1 ILE 27 3HD1 ILE 27 -17.230 7.034 7.034 192 3HD1 ILE 27 2HD1 ILE 27 -17.333 7.009 7.009 193 H VAL 28 H VAL 28 -13.126 4.614 4.614 194 HA VAL 28 HA VAL 28 -14.182 2.590 2.590 195 HB VAL 28 HB VAL 28 -11.448 2.781 2.781 196 1HG1 VAL 28 3HG1 VAL 28 -12.638 0.846 0.846 197 2HG1 VAL 28 2HG1 VAL 28 -11.117 0.592 0.592 198 3HG1 VAL 28 1HG1 VAL 28 -11.260 1.942 1.942 199 1HG2 VAL 28 1HG2 VAL 28 -13.728 0.774 0.774 200 2HG2 VAL 28 2HG2 VAL 28 -13.190 1.922 1.922 201 3HG2 VAL 28 3HG2 VAL 28 -12.113 0.613 0.613 202 H LYS 29 HN LYS 29 -14.648 3.824 3.824 203 HA LYS 29 HA LYS 29 -12.971 5.970 5.970 204 1HB LYS 29 1HB LYS 29 -15.277 4.472 4.472 205 2HB LYS 29 2HB LYS 29 -14.560 6.005 6.005 206 1HG LYS 29 1HG LYS 29 -15.187 7.006 7.006 207 2HG LYS 29 2HG LYS 29 -16.032 5.505 5.505 208 1HD LYS 29 2HD LYS 29 -17.397 5.803 5.803 209 2HD LYS 29 1HD LYS 29 -16.687 7.421 7.421 210 1HE LYS 29 2HE LYS 29 -18.390 6.338 6.338 211 2HE LYS 29 1HE LYS 29 -18.878 7.547 7.547 212 1HZ LYS 29 1HZ LYS 29 -17.141 8.976 8.976 213 2HZ LYS 29 2HZ LYS 29 -16.785 7.847 7.847 214 3HZ LYS 29 3HZ LYS 29 -18.260 8.577 8.577 215 H GLY 30 H GLY 30 -11.008 4.520 4.520 216 1HA GLY 30 1HA GLY 30 -10.608 2.703 2.703 217 2HA GLY 30 2HA GLY 30 -9.637 2.819 2.819 218 H ALA 31 H ALA 31 -7.837 2.958 2.958 219 HA ALA 31 HA ALA 31 -7.559 5.547 5.547 220 1HB ALA 31 1HB ALA 31 -6.755 3.440 3.440 221 2HB ALA 31 3HB ALA 31 -5.635 3.232 3.232 222 3HB ALA 31 2HB ALA 31 -5.447 4.609 4.609 223 H LYS 32 HN LYS 32 -5.201 6.509 6.509 224 HA LYS 32 HA LYS 32 -4.551 6.521 6.521 225 1HB LYS 32 2HB LYS 32 -4.887 9.053 9.053 226 2HB LYS 32 1HB LYS 32 -4.388 8.931 8.931 227 1HG LYS 32 1HG LYS 32 -6.605 7.751 7.751 228 2HG LYS 32 2HG LYS 32 -7.101 8.199 8.199 229 1HD LYS 32 2HD LYS 32 -6.620 10.621 10.621 230 2HD LYS 32 1HD LYS 32 -6.405 10.084 10.084 231 1HE LYS 32 1HE LYS 32 -8.923 9.805 9.805 232 2HE LYS 32 2HE LYS 32 -8.701 10.898 10.898 233 1HZ LYS 32 2HZ LYS 32 -8.490 8.962 8.962 234 2HZ LYS 32 1HZ LYS 32 -8.735 7.960 7.960 235 3HZ LYS 32 3HZ LYS 32 -9.930 8.987 8.987 236 H THR 33 H THR 33 -3.461 5.058 5.058 237 HA THR 33 HA THR 33 -1.055 6.332 6.332 238 HB THR 33 HB THR 33 -1.541 3.364 3.364 239 HG1 THR 33 HG1 THR 33 -2.854 3.553 3.553 240 1HG2 THR 33 1HG2 THR 33 0.561 4.206 4.206 241 2HG2 THR 33 2HG2 THR 33 -0.392 5.147 5.147 242 3HG2 THR 33 3HG2 THR 33 -0.456 3.372 3.372 243 H GLY 34 H GLY 34 -2.129 4.317 4.317 244 1HA GLY 34 1HA GLY 34 0.616 4.487 4.487 245 2HA GLY 34 2HA GLY 34 -0.552 3.194 3.194 246 HA PRO 35 HA PRO 35 -1.108 7.139 7.139 247 1HB PRO 35 2HB PRO 35 -0.254 6.083 6.083 248 2HB PRO 35 1HB PRO 35 0.831 6.901 6.901 249 1HG PRO 35 2HG PRO 35 0.291 3.919 3.919 250 2HG PRO 35 1HG PRO 35 1.885 4.722 4.722 251 1HD PRO 35 1HD PRO 35 0.992 3.742 3.742 252 2HD PRO 35 2HD PRO 35 1.645 5.391 5.391 253 H ASN 36 H ASN 36 -3.213 7.283 7.283 254 HA ASN 36 HA ASN 36 -5.075 5.236 5.236 255 1HB ASN 36 1HB ASN 36 -5.559 7.628 7.628 256 2HB ASN 36 2HB ASN 36 -5.066 7.909 7.909 257 1HD2 ASN 36 2HD2 ASN 36 -8.111 6.848 6.848 258 2HD2 ASN 36 1HD2 ASN 36 -6.427 7.187 7.187 259 H LEU 37 H LEU 37 -5.255 3.566 3.566 260 HA LEU 37 HA LEU 37 -3.398 3.280 3.280 261 1HB LEU 37 2HB LEU 37 -5.545 1.393 1.393 262 2HB LEU 37 1HB LEU 37 -4.287 0.971 0.971 263 HG LEU 37 HG LEU 37 -3.718 1.907 1.907 264 1HD1 LEU 37 3HD1 LEU 37 -3.733 -0.897 -0.897 265 2HD1 LEU 37 1HD1 LEU 37 -3.125 -0.477 -0.477 266 3HD1 LEU 37 2HD1 LEU 37 -4.834 -0.272 -0.272 267 1HD2 LEU 37 3HD2 LEU 37 -1.907 0.676 0.676 268 2HD2 LEU 37 2HD2 LEU 37 -1.799 2.342 2.342 269 3HD2 LEU 37 1HD2 LEU 37 -1.453 0.968 0.968 270 H TYR 38 H TYR 38 -6.616 4.485 4.485 271 HA TYR 38 HA TYR 38 -7.477 3.382 3.382 272 1HB TYR 38 1HB TYR 38 -9.004 4.721 4.721 273 2HB TYR 38 2HB TYR 38 -7.891 6.092 6.092 274 HD1 TYR 38 HD1 TYR 38 -7.537 7.526 7.526 275 HD2 TYR 38 HD2 TYR 38 -10.527 4.425 4.425 276 HE1 TYR 38 HE1 TYR 38 -8.303 8.258 8.258 277 HE2 TYR 38 HE2 TYR 38 -11.411 5.278 5.278 278 HH TYR 38 HH TYR 38 -11.098 6.824 6.824 279 H GLY 39 H GLY 39 -6.434 3.437 3.437 280 1HA GLY 39 1HA GLY 39 -5.410 4.409 4.409 281 2HA GLY 39 2HA GLY 39 -5.134 5.900 5.900 282 H VAL 40 H VAL 40 -3.989 3.119 3.119 283 HA VAL 40 HA VAL 40 -1.252 3.807 3.807 284 HB VAL 40 HB VAL 40 -2.769 1.638 1.638 285 1HG1 VAL 40 3HG2 VAL 40 0.034 0.980 0.980 286 2HG1 VAL 40 2HG2 VAL 40 -0.887 0.118 0.118 287 3HG1 VAL 40 1HG2 VAL 40 -1.482 0.129 0.129 288 1HG2 VAL 40 3HG1 VAL 40 -1.716 3.555 3.555 289 2HG2 VAL 40 1HG1 VAL 40 -1.044 2.002 2.002 290 3HG2 VAL 40 2HG1 VAL 40 -0.118 3.018 3.018 291 H VAL 41 H VAL 41 -3.305 1.472 1.472 292 HA VAL 41 HA VAL 41 -1.301 0.115 0.115 293 HB VAL 41 HB VAL 41 -4.158 0.756 0.756 294 1HG1 VAL 41 2HG1 VAL 41 -2.200 -1.317 -1.317 295 2HG1 VAL 41 1HG1 VAL 41 -3.936 -1.254 -1.254 296 3HG1 VAL 41 3HG1 VAL 41 -2.880 0.063 0.063 297 1HG2 VAL 41 3HG2 VAL 41 -3.958 -0.534 -0.534 298 2HG2 VAL 41 1HG2 VAL 41 -4.630 -1.520 -1.520 299 3HG2 VAL 41 2HG2 VAL 41 -2.939 -1.723 -1.723 300 H GLY 42 H GLY 42 0.197 0.805 0.805 301 1HA GLY 42 1HA GLY 42 1.061 1.763 1.763 302 2HA GLY 42 2HA GLY 42 -0.385 2.757 2.757 303 H ARG 43 HN ARG 43 0.208 3.386 3.386 304 HA ARG 43 HA ARG 43 1.407 5.927 5.927 305 1HB ARG 43 1HB ARG 43 -0.313 5.539 5.539 306 2HB ARG 43 2HB ARG 43 0.972 4.769 4.769 307 1HG ARG 43 1HG ARG 43 2.271 6.883 6.883 308 2HG ARG 43 2HG ARG 43 1.076 7.594 7.594 309 1HD ARG 43 1HD ARG 43 -0.654 7.182 7.182 310 2HD ARG 43 2HD ARG 43 0.729 6.769 6.769 311 HE ARG 43 HE ARG 43 1.337 8.975 8.975 312 1HH1 ARG 43 1HH1 ARG 43 -1.033 8.634 8.634 313 2HH1 ARG 43 2HH1 ARG 43 -1.148 10.342 10.342 314 1HH2 ARG 43 2HH2 ARG 43 1.267 11.223 11.223 315 2HH2 ARG 43 1HH2 ARG 43 0.194 11.828 11.828 316 H THR 44 H THR 44 3.470 6.703 6.703 317 HA THR 44 HA THR 44 5.621 4.846 4.846 318 HB THR 44 HB THR 44 5.664 7.865 7.865 319 HG1 THR 44 HG1 THR 44 5.695 6.221 6.221 320 1HG2 THR 44 3HG2 THR 44 7.774 5.815 5.815 321 2HG2 THR 44 1HG2 THR 44 7.940 7.572 7.572 322 3HG2 THR 44 2HG2 THR 44 7.804 6.905 6.905 323 H ALA 45 H ALA 45 4.441 3.973 3.973 324 HA ALA 45 HA ALA 45 4.110 3.873 3.873 325 1HB ALA 45 1HB ALA 45 6.069 2.563 2.563 326 2HB ALA 45 3HB ALA 45 7.131 3.927 3.927 327 3HB ALA 45 2HB ALA 45 6.195 3.101 3.101 328 H GLY 46 H GLY 46 6.631 5.029 5.029 329 1HA GLY 46 1HA GLY 46 5.464 6.780 6.780 330 2HA GLY 46 2HA GLY 46 7.169 6.827 6.827 331 H THR 47 H THR 47 4.064 8.032 8.032 332 HA THR 47 HA THR 47 5.089 10.787 10.787 333 HB THR 47 HB THR 47 6.053 9.864 9.864 334 HG1 THR 47 HG1 THR 47 4.070 11.862 11.862 335 1HG2 THR 47 1HG2 THR 47 4.196 8.272 8.272 336 2HG2 THR 47 2HG2 THR 47 3.175 9.665 9.665 337 3HG2 THR 47 3HG2 THR 47 4.656 9.363 9.363 338 H TYR 48 H TYR 48 2.596 8.951 8.951 339 HA TYR 48 HA TYR 48 0.331 10.238 10.238 340 1HB TYR 48 1HB TYR 48 0.565 8.004 8.004 341 2HB TYR 48 2HB TYR 48 0.345 9.016 9.016 342 HD1 TYR 48 HD1 TYR 48 -1.080 7.544 7.544 343 HD2 TYR 48 HD2 TYR 48 -1.950 10.048 10.048 344 HE1 TYR 48 HE1 TYR 48 -3.456 7.164 7.164 345 HE2 TYR 48 HE2 TYR 48 -4.376 9.673 9.673 346 HH TYR 48 HH TYR 48 -5.516 7.304 7.304 347 HA PRO 49 HA PRO 49 0.922 14.085 14.085 348 1HB PRO 49 1HB PRO 49 -1.569 15.228 15.228 349 2HB PRO 49 2HB PRO 49 -0.512 15.062 15.062 350 1HG PRO 49 2HG PRO 49 -2.738 13.189 13.189 351 2HG PRO 49 1HG PRO 49 -2.496 13.919 13.919 352 1HD PRO 49 2HD PRO 49 -1.634 11.417 11.417 353 2HD PRO 49 1HD PRO 49 -0.605 12.519 12.519 354 H GLU 50 HN GLU 50 0.398 15.154 15.154 355 HA GLU 50 HA GLU 50 0.188 15.137 15.137 356 1HB GLU 50 2HB GLU 50 -2.601 14.199 14.199 357 2HB GLU 50 1HB GLU 50 -2.144 14.966 14.966 358 1HG GLU 50 2HG GLU 50 -1.428 17.010 17.010 359 2HG GLU 50 1HG GLU 50 -1.947 16.266 16.266 360 H PHE 51 H PHE 51 1.737 13.040 13.040 361 HA PHE 51 HA PHE 51 0.819 11.334 11.334 362 1HB PHE 51 1HB PHE 51 -0.109 10.166 10.166 363 2HB PHE 51 2HB PHE 51 1.521 10.048 10.048 364 HD1 PHE 51 HD1 PHE 51 -0.662 9.081 9.081 365 HD2 PHE 51 HD2 PHE 51 3.157 8.543 8.543 366 HE1 PHE 51 HE1 PHE 51 0.026 7.565 7.565 367 HE2 PHE 51 HE2 PHE 51 3.841 6.983 6.983 368 HZ PHE 51 HZ PHE 51 2.286 6.511 6.511 369 H LYS 52 HN LYS 52 2.435 11.226 11.226 370 HA LYS 52 HA LYS 52 5.099 12.096 12.096 371 1HB LYS 52 1HB LYS 52 3.911 12.513 12.513 372 2HB LYS 52 2HB LYS 52 4.088 10.793 10.793 373 1HG LYS 52 2HG LYS 52 6.677 11.243 11.243 374 2HG LYS 52 1HG LYS 52 6.229 12.938 12.938 375 1HD LYS 52 2HD LYS 52 7.060 12.147 12.147 376 2HD LYS 52 1HD LYS 52 5.370 12.640 12.640 377 1HE LYS 52 2HE LYS 52 6.013 10.503 10.503 378 2HE LYS 52 1HE LYS 52 4.619 10.352 10.352 379 1HZ LYS 52 1HZ LYS 52 7.362 9.552 9.552 380 2HZ LYS 52 3HZ LYS 52 6.147 8.533 8.533 381 3HZ LYS 52 2HZ LYS 52 6.032 9.371 9.371 382 H TYR 53 H TYR 53 5.442 10.440 10.440 383 HA TYR 53 HA TYR 53 6.067 7.694 7.694 384 1HB TYR 53 1HB TYR 53 7.120 9.452 9.452 385 2HB TYR 53 2HB TYR 53 7.318 7.709 7.709 386 HD1 TYR 53 HD1 TYR 53 5.292 6.156 6.156 387 HD2 TYR 53 HD2 TYR 53 5.175 10.339 10.339 388 HE1 TYR 53 HE1 TYR 53 3.675 5.663 5.663 389 HE2 TYR 53 HE2 TYR 53 3.427 9.858 9.858 390 HH TYR 53 HH TYR 53 2.674 6.481 6.481 391 H LYS 54 HN LYS 54 8.502 7.052 7.052 392 HA LYS 54 HA LYS 54 10.402 8.620 8.620 393 1HB LYS 54 2HB LYS 54 10.777 5.710 5.710 394 2HB LYS 54 1HB LYS 54 11.522 6.687 6.687 395 1HG LYS 54 1HG LYS 54 9.359 6.885 6.885 396 2HG LYS 54 2HG LYS 54 8.596 5.819 5.819 397 1HD LYS 54 1HD LYS 54 10.141 4.003 4.003 398 2HD LYS 54 2HD LYS 54 10.986 5.007 5.007 399 1HE LYS 54 1HE LYS 54 8.027 4.268 4.268 400 2HE LYS 54 2HE LYS 54 9.317 3.413 3.413 401 1HZ LYS 54 1HZ LYS 54 9.820 5.460 5.460 402 2HZ LYS 54 3HZ LYS 54 8.595 6.236 6.236 403 3HZ LYS 54 2HZ LYS 54 8.258 5.008 5.008 404 H ASP 55 HN ASP 55 12.632 8.008 8.008 405 HA ASP 55 HA ASP 55 13.108 9.133 9.133 406 1HB ASP 55 2HB ASP 55 14.700 9.402 9.402 407 2HB ASP 55 1HB ASP 55 14.901 7.648 7.648 408 H SER 56 H SER 56 13.008 5.729 5.729 409 HA SER 56 HA SER 56 14.464 4.545 4.545 410 1HB SER 56 2HB SER 56 13.209 2.526 2.526 411 2HB SER 56 1HB SER 56 14.208 3.519 3.519 412 HG SER 56 HG SER 56 12.015 3.081 3.081 413 H ILE 57 H ILE 57 11.063 4.398 4.398 414 HA ILE 57 HA ILE 57 10.191 3.239 3.239 415 HB ILE 57 HB ILE 57 9.181 3.580 3.580 416 1HG1 ILE 57 1HG1 ILE 57 8.359 1.929 1.929 417 2HG1 ILE 57 2HG1 ILE 57 7.028 2.748 2.748 418 1HG2 ILE 57 2HG2 ILE 57 8.766 5.949 5.949 419 2HG2 ILE 57 3HG2 ILE 57 7.609 5.710 5.710 420 3HG2 ILE 57 1HG2 ILE 57 7.281 5.036 5.036 421 1HD1 ILE 57 3HD1 ILE 57 6.603 4.081 4.081 422 2HD1 ILE 57 2HD1 ILE 57 7.919 3.190 3.190 423 3HD1 ILE 57 1HD1 ILE 57 6.475 2.335 2.335 424 H VAL 58 H VAL 58 10.432 6.722 6.722 425 HA VAL 58 HA VAL 58 9.286 7.758 7.758 426 HB VAL 58 HB VAL 58 11.252 8.790 8.790 427 1HG1 VAL 58 1HG1 VAL 58 10.005 10.281 10.281 428 2HG1 VAL 58 2HG1 VAL 58 10.791 11.040 11.040 429 3HG1 VAL 58 3HG1 VAL 58 11.748 10.029 10.029 430 1HG2 VAL 58 3HG2 VAL 58 8.811 8.365 8.365 431 2HG2 VAL 58 2HG2 VAL 58 9.331 10.049 10.049 432 3HG2 VAL 58 1HG2 VAL 58 8.356 9.560 9.560 433 H ALA 59 H ALA 59 12.730 7.012 7.012 434 HA ALA 59 HA ALA 59 13.813 7.799 7.799 435 1HB ALA 59 2HB ALA 59 15.189 7.414 7.414 436 2HB ALA 59 1HB ALA 59 14.813 5.677 5.677 437 3HB ALA 59 3HB ALA 59 15.760 6.420 6.420 438 H LEU 60 H LEU 60 12.518 4.622 4.622 439 HA LEU 60 HA LEU 60 13.213 3.183 3.183 440 1HB LEU 60 2HB LEU 60 12.240 2.222 2.222 441 2HB LEU 60 1HB LEU 60 10.680 2.923 2.923 442 HG LEU 60 HG LEU 60 10.574 1.590 1.590 443 1HD1 LEU 60 2HD2 LEU 60 13.133 0.266 0.266 444 2HD1 LEU 60 3HD2 LEU 60 12.097 -0.336 -0.336 445 3HD1 LEU 60 1HD2 LEU 60 12.944 1.194 1.194 446 1HD2 LEU 60 3HD1 LEU 60 9.555 0.769 0.769 447 2HD2 LEU 60 2HD1 LEU 60 10.121 -0.561 -0.561 448 3HD2 LEU 60 1HD1 LEU 60 11.073 -0.076 -0.076 449 H GLY 61 H GLY 61 10.231 5.051 5.051 450 1HA GLY 61 1HA GLY 61 8.903 4.762 4.762 451 2HA GLY 61 2HA GLY 61 8.771 6.147 6.147 452 H ALA 62 H ALA 62 11.088 7.381 7.381 453 HA ALA 62 HA ALA 62 11.269 8.847 8.847 454 1HB ALA 62 1HB ALA 62 12.097 9.576 9.576 455 2HB ALA 62 2HB ALA 62 13.472 8.459 8.459 456 3HB ALA 62 3HB ALA 62 13.292 9.815 9.815 457 H SER 63 H SER 63 12.996 5.841 5.841 458 HA SER 63 HA SER 63 14.877 6.022 6.022 459 1HB SER 63 1HB SER 63 13.907 3.532 3.532 460 2HB SER 63 2HB SER 63 15.379 3.712 3.712 461 HG SER 63 HG SER 63 14.777 5.194 5.194 462 H GLY 64 H GLY 64 11.559 5.817 5.817 463 1HA GLY 64 1HA GLY 64 10.394 5.657 5.657 464 2HA GLY 64 2HA GLY 64 11.715 4.756 4.756 465 H PHE 65 H PHE 65 10.236 4.091 4.091 466 HA PHE 65 HA PHE 65 9.514 1.353 1.353 467 1HB PHE 65 2HB PHE 65 10.946 1.445 1.445 468 2HB PHE 65 1HB PHE 65 9.814 2.557 2.557 469 HD1 PHE 65 HD2 PHE 65 9.802 -0.869 -0.869 470 HD2 PHE 65 HD1 PHE 65 8.181 1.758 1.758 471 HE1 PHE 65 HE2 PHE 65 8.092 -2.564 -2.564 472 HE2 PHE 65 HE1 PHE 65 6.539 0.026 0.026 473 HZ PHE 65 HZ PHE 65 6.416 -2.077 -2.077 474 H ALA 66 H ALA 66 7.438 1.030 1.030 475 HA ALA 66 HA ALA 66 5.278 2.766 2.766 476 1HB ALA 66 3HB ALA 66 5.590 2.979 2.979 477 2HB ALA 66 2HB ALA 66 5.401 1.220 1.220 478 3HB ALA 66 1HB ALA 66 4.041 2.206 2.206 479 H TRP 67 H TRP 67 3.589 1.815 1.815 480 HA TRP 67 HA TRP 67 3.873 -0.936 -0.936 481 1HB TRP 67 2HB TRP 67 1.825 1.243 1.243 482 2HB TRP 67 1HB TRP 67 1.493 -0.398 -0.398 483 HD1 TRP 67 HD1 TRP 67 2.350 2.529 2.529 484 HE1 TRP 67 HE1 TRP 67 3.844 2.208 2.208 485 HE3 TRP 67 HE3 TRP 67 3.762 -2.328 -2.328 486 HZ2 TRP 67 HZ2 TRP 67 5.509 0.215 0.215 487 HZ3 TRP 67 HZ3 TRP 67 5.342 -3.401 -3.401 488 HH2 TRP 67 HH2 TRP 67 6.217 -2.175 -2.175 489 H THR 68 H THR 68 3.693 -2.402 -2.402 490 HA THR 68 HA THR 68 1.257 -2.374 -2.374 491 HB THR 68 HB THR 68 2.069 -4.483 -4.483 492 HG1 THR 68 HG1 THR 68 4.375 -4.415 -4.415 493 1HG2 THR 68 3HG2 THR 68 3.088 -2.442 -2.442 494 2HG2 THR 68 1HG2 THR 68 4.404 -2.546 -2.546 495 3HG2 THR 68 2HG2 THR 68 4.207 -3.822 -3.822 496 H GLU 69 HN GLU 69 -0.204 -4.360 -4.360 497 HA GLU 69 HA GLU 69 -1.286 -4.887 -4.887 498 1HB GLU 69 1HB GLU 69 -1.307 -6.786 -6.786 499 2HB GLU 69 2HB GLU 69 -2.437 -6.724 -6.724 500 1HG GLU 69 2HG GLU 69 -2.650 -4.181 -4.181 501 2HG GLU 69 1HG GLU 69 -2.106 -4.812 -4.812 502 H GLU 70 HN GLU 70 1.113 -6.574 -6.574 503 HA GLU 70 HA GLU 70 1.487 -8.883 -8.883 504 1HB GLU 70 2HB GLU 70 3.545 -7.534 -7.534 505 2HB GLU 70 1HB GLU 70 3.429 -9.245 -9.245 506 1HG GLU 70 2HG GLU 70 1.446 -7.663 -7.663 507 2HG GLU 70 1HG GLU 70 2.611 -8.829 -8.829 508 H ASP 71 HN ASP 71 3.323 -5.781 -5.781 509 HA ASP 71 HA ASP 71 5.185 -6.395 -6.395 510 1HB ASP 71 1HB ASP 71 4.084 -3.756 -3.756 511 2HB ASP 71 2HB ASP 71 5.331 -3.911 -3.911 512 H ILE 72 H ILE 72 2.035 -4.647 -4.647 513 HA ILE 72 HA ILE 72 2.071 -4.039 -4.039 514 HB ILE 72 HB ILE 72 -0.267 -4.693 -4.693 515 1HG1 ILE 72 2HG1 ILE 72 0.526 -1.939 -1.939 516 2HG1 ILE 72 1HG1 ILE 72 1.311 -2.631 -2.631 517 1HG2 ILE 72 2HG2 ILE 72 -0.265 -3.458 -3.458 518 2HG2 ILE 72 1HG2 ILE 72 -1.663 -3.463 -3.463 519 3HG2 ILE 72 3HG2 ILE 72 -1.031 -4.986 -4.986 520 1HD1 ILE 72 2HD1 ILE 72 -0.899 -2.993 -2.993 521 2HD1 ILE 72 3HD1 ILE 72 -1.689 -2.187 -2.187 522 3HD1 ILE 72 1HD1 ILE 72 -0.558 -1.299 -1.299 523 H ALA 73 H ALA 73 0.655 -6.864 -6.864 524 HA ALA 73 HA ALA 73 -0.221 -8.228 -8.228 525 1HB ALA 73 2HB ALA 73 -0.875 -8.838 -8.838 526 2HB ALA 73 1HB ALA 73 0.783 -9.372 -9.372 527 3HB ALA 73 3HB ALA 73 -0.196 -10.250 -10.250 528 H THR 74 H THR 74 2.987 -8.317 -8.317 529 HA THR 74 HA THR 74 4.052 -10.354 -10.354 530 HB THR 74 HB THR 74 5.512 -8.160 -8.160 531 HG1 THR 74 HG1 THR 74 4.201 -9.373 -9.373 532 1HG2 THR 74 3HG2 THR 74 6.424 -10.908 -10.908 533 2HG2 THR 74 1HG2 THR 74 7.365 -9.799 -9.799 534 3HG2 THR 74 2HG2 THR 74 6.978 -9.352 -9.352 535 H TYR 75 H TYR 75 4.282 -6.768 -6.768 536 HA TYR 75 HA TYR 75 6.017 -6.360 -6.360 537 1HB TYR 75 1HB TYR 75 5.097 -4.599 -4.599 538 2HB TYR 75 2HB TYR 75 3.487 -4.804 -4.804 539 HD1 TYR 75 HD1 TYR 75 7.002 -4.268 -4.268 540 HD2 TYR 75 HD2 TYR 75 2.875 -3.144 -3.144 541 HE1 TYR 75 HE1 TYR 75 7.628 -2.572 -2.572 542 HE2 TYR 75 HE2 TYR 75 3.487 -1.507 -1.507 543 HH TYR 75 HH TYR 75 5.158 -0.565 -0.565 544 H VAL 76 H VAL 76 2.468 -6.630 -6.630 545 HA VAL 76 HA VAL 76 2.566 -6.414 -6.414 546 HB VAL 76 HB VAL 76 0.516 -7.841 -7.841 547 1HG1 VAL 76 1HG1 VAL 76 0.413 -5.369 -5.369 548 2HG1 VAL 76 2HG1 VAL 76 0.557 -5.474 -5.474 549 3HG1 VAL 76 3HG1 VAL 76 -0.882 -6.114 -6.114 550 1HG2 VAL 76 3HG2 VAL 76 0.971 -9.221 -9.221 551 2HG2 VAL 76 2HG2 VAL 76 -0.616 -8.447 -8.447 552 3HG2 VAL 76 1HG2 VAL 76 0.660 -7.784 -7.784 553 H LYS 77 HN LYS 77 3.475 -9.228 -9.228 554 HA LYS 77 HA LYS 77 3.395 -11.079 -11.079 555 1HB LYS 77 1HB LYS 77 4.974 -11.435 -11.435 556 2HB LYS 77 2HB LYS 77 4.369 -12.664 -12.664 557 1HG LYS 77 1HG LYS 77 1.993 -11.745 -11.745 558 2HG LYS 77 2HG LYS 77 2.808 -10.912 -10.912 559 1HD LYS 77 2HD LYS 77 3.718 -13.072 -13.072 560 2HD LYS 77 1HD LYS 77 2.821 -13.932 -13.932 561 1HE LYS 77 1HE LYS 77 1.599 -12.199 -12.199 562 2HE LYS 77 2HE LYS 77 1.627 -13.969 -13.969 563 1HZ LYS 77 1HZ LYS 77 0.307 -13.902 -13.902 564 2HZ LYS 77 3HZ LYS 77 0.265 -12.253 -12.253 565 3HZ LYS 77 2HZ LYS 77 -0.458 -13.117 -13.117 566 H ASP 78 HN ASP 78 5.710 -8.717 -8.717 567 HA ASP 78 HA ASP 78 7.645 -9.398 -9.398 568 1HB ASP 78 1HB ASP 78 8.242 -9.820 -9.820 569 2HB ASP 78 2HB ASP 78 9.486 -9.432 -9.432 570 HA PRO 79 HA PRO 79 7.506 -5.000 -5.000 571 1HB PRO 79 2HB PRO 79 6.467 -3.717 -3.717 572 2HB PRO 79 1HB PRO 79 5.441 -4.549 -4.549 573 1HG PRO 79 2HG PRO 79 6.421 -5.690 -5.690 574 2HG PRO 79 1HG PRO 79 4.750 -5.571 -5.571 575 1HD PRO 79 1HD PRO 79 6.236 -7.872 -7.872 576 2HD PRO 79 2HD PRO 79 5.097 -7.268 -7.268 577 H GLY 80 H GLY 80 8.847 -3.406 -3.406 578 1HA GLY 80 1HA GLY 80 10.844 -2.632 -2.632 579 2HA GLY 80 2HA GLY 80 10.767 -3.989 -3.989 580 H ALA 81 H ALA 81 10.973 -6.219 -6.219 581 HA ALA 81 HA ALA 81 13.560 -6.530 -6.530 582 1HB ALA 81 2HB ALA 81 11.103 -8.278 -8.278 583 2HB ALA 81 1HB ALA 81 12.741 -8.781 -8.781 584 3HB ALA 81 3HB ALA 81 12.384 -8.375 -8.375 585 H PHE 82 H PHE 82 10.376 -6.348 -6.348 586 HA PHE 82 HA PHE 82 11.177 -6.429 -6.429 587 1HB PHE 82 2HB PHE 82 8.827 -6.159 -6.159 588 2HB PHE 82 1HB PHE 82 9.195 -4.466 -4.466 589 HD1 PHE 82 HD1 PHE 82 9.629 -2.971 -2.971 590 HD2 PHE 82 HD2 PHE 82 8.096 -6.997 -6.997 591 HE1 PHE 82 HE1 PHE 82 8.658 -2.439 -2.439 592 HE2 PHE 82 HE2 PHE 82 7.152 -6.450 -6.450 593 HZ PHE 82 HZ PHE 82 7.494 -4.197 -4.197 594 H LEU 83 H LEU 83 11.356 -3.627 -3.627 595 HA LEU 83 HA LEU 83 12.072 -1.662 -1.662 596 1HB LEU 83 1HB LEU 83 12.633 -1.509 -1.509 597 2HB LEU 83 2HB LEU 83 12.552 -0.226 -0.226 598 HG LEU 83 HG LEU 83 10.254 -1.883 -1.883 599 1HD1 LEU 83 1HD1 LEU 83 10.986 1.085 1.085 600 2HD1 LEU 83 3HD1 LEU 83 9.513 0.367 0.367 601 3HD1 LEU 83 2HD1 LEU 83 11.100 -0.091 -0.091 602 1HD2 LEU 83 3HD2 LEU 83 10.257 0.231 0.231 603 2HD2 LEU 83 1HD2 LEU 83 9.836 -1.489 -1.489 604 3HD2 LEU 83 2HD2 LEU 83 8.800 -0.444 -0.444 605 H LYS 84 HN LYS 84 13.736 -3.216 -3.216 606 HA LYS 84 HA LYS 84 16.371 -2.453 -2.453 607 1HB LYS 84 2HB LYS 84 15.324 -5.166 -5.166 608 2HB LYS 84 1HB LYS 84 17.005 -4.648 -4.648 609 1HG LYS 84 2HG LYS 84 16.416 -2.857 -2.857 610 2HG LYS 84 1HG LYS 84 14.676 -3.090 -3.090 611 1HD LYS 84 2HD LYS 84 14.750 -5.302 -5.302 612 2HD LYS 84 1HD LYS 84 16.502 -5.163 -5.163 613 1HE LYS 84 2HE LYS 84 15.383 -4.704 -4.704 614 2HE LYS 84 1HE LYS 84 16.133 -3.214 -3.214 615 1HZ LYS 84 3HZ LYS 84 13.298 -3.932 -3.932 616 2HZ LYS 84 2HZ LYS 84 13.920 -2.854 -2.854 617 3HZ LYS 84 1HZ LYS 84 13.984 -2.530 -2.530 618 H GLU 85 HN GLU 85 14.761 -5.261 -5.261 619 HA GLU 85 HA GLU 85 16.881 -6.139 -6.139 620 1HB GLU 85 1HB GLU 85 14.851 -7.450 -7.450 621 2HB GLU 85 2HB GLU 85 13.858 -6.314 -6.314 622 1HG GLU 85 1HG GLU 85 15.306 -6.932 -6.932 623 2HG GLU 85 2HG GLU 85 15.932 -8.255 -8.255 624 H LYS 86 HN LYS 86 13.954 -4.305 -4.305 625 HA LYS 86 HA LYS 86 15.153 -3.960 -3.960 626 1HB LYS 86 1HB LYS 86 12.745 -2.554 -2.554 627 2HB LYS 86 2HB LYS 86 13.219 -2.569 -2.569 628 1HG LYS 86 2HG LYS 86 13.207 -5.155 -5.155 629 2HG LYS 86 1HG LYS 86 12.325 -4.919 -4.919 630 1HD LYS 86 2HD LYS 86 10.627 -3.557 -3.557 631 2HD LYS 86 1HD LYS 86 11.463 -4.011 -4.011 632 1HE LYS 86 1HE LYS 86 10.182 -5.915 -5.915 633 2HE LYS 86 2HE LYS 86 9.546 -5.505 -5.505 634 1HZ LYS 86 1HZ LYS 86 11.563 -6.498 -6.498 635 2HZ LYS 86 3HZ LYS 86 12.019 -6.968 -6.968 636 3HZ LYS 86 2HZ LYS 86 10.644 -7.571 -7.571 637 H LEU 87 H LEU 87 15.258 -1.874 -1.874 638 HA LEU 87 HA LEU 87 16.431 0.327 0.327 639 1HB LEU 87 2HB LEU 87 14.859 0.619 0.619 640 2HB LEU 87 1HB LEU 87 16.115 -0.061 -0.061 641 HG LEU 87 HG LEU 87 17.581 1.855 1.855 642 1HD1 LEU 87 2HD1 LEU 87 15.289 2.856 2.856 643 2HD1 LEU 87 3HD1 LEU 87 16.653 3.850 3.850 644 3HD1 LEU 87 1HD1 LEU 87 16.945 2.488 2.488 645 1HD2 LEU 87 1HD2 LEU 87 15.969 1.940 1.940 646 2HD2 LEU 87 2HD2 LEU 87 16.250 3.547 3.547 647 3HD2 LEU 87 3HD2 LEU 87 14.757 2.666 2.666 648 H ASP 88 HN ASP 88 17.587 -2.619 -2.619 649 HA ASP 88 HA ASP 88 19.544 -3.461 -3.461 650 1HB ASP 88 1HB ASP 88 20.045 -2.969 -2.969 651 2HB ASP 88 2HB ASP 88 20.614 -1.353 -1.353 652 H ASP 89 HN ASP 89 18.667 -2.222 -2.222 653 HA ASP 89 HA ASP 89 20.859 -0.600 -0.600 654 1HB ASP 89 2HB ASP 89 19.361 1.061 1.061 655 2HB ASP 89 1HB ASP 89 17.955 0.233 0.233 656 H LYS 90 HN LYS 90 20.778 -0.551 -0.551 657 HA LYS 90 HA LYS 90 19.781 -3.075 -3.075 658 1HB LYS 90 1HB LYS 90 22.258 -1.635 -1.635 659 2HB LYS 90 2HB LYS 90 21.521 -1.269 -1.269 660 1HG LYS 90 1HG LYS 90 22.725 -3.172 -3.172 661 2HG LYS 90 2HG LYS 90 21.155 -3.899 -3.899 662 1HD LYS 90 2HD LYS 90 23.572 -3.716 -3.716 663 2HD LYS 90 1HD LYS 90 23.028 -5.158 -5.158 664 1HE LYS 90 1HE LYS 90 20.885 -5.108 -5.108 665 2HE LYS 90 2HE LYS 90 21.522 -3.730 -3.730 666 1HZ LYS 90 2HZ LYS 90 23.312 -5.097 -5.097 667 2HZ LYS 90 1HZ LYS 90 22.729 -6.389 -6.389 668 3HZ LYS 90 3HZ LYS 90 21.863 -5.760 -5.760 669 H LYS 91 HN LYS 91 20.010 0.448 0.448 670 HA LYS 91 HA LYS 91 18.211 0.388 0.388 671 1HB LYS 91 2HB LYS 91 18.553 2.772 2.772 672 2HB LYS 91 1HB LYS 91 20.085 1.909 1.909 673 1HG LYS 91 2HG LYS 91 20.576 2.598 2.598 674 2HG LYS 91 1HG LYS 91 18.909 2.981 2.981 675 1HD LYS 91 1HD LYS 91 20.667 4.566 4.566 676 2HD LYS 91 2HD LYS 91 20.306 4.984 4.984 677 1HE LYS 91 1HE LYS 91 18.364 4.980 4.980 678 2HE LYS 91 2HE LYS 91 18.889 6.337 6.337 679 1HZ LYS 91 3HZ LYS 91 17.769 5.288 5.288 680 2HZ LYS 91 1HZ LYS 91 17.219 4.086 4.086 681 3HZ LYS 91 2HZ LYS 91 16.737 5.642 5.642 682 H ALA 92 H ALA 92 17.008 -0.563 -0.563 683 HA ALA 92 HA ALA 92 15.191 1.633 1.633 684 1HB ALA 92 3HB ALA 92 16.186 0.188 0.188 685 2HB ALA 92 2HB ALA 92 15.243 -1.156 -1.156 686 3HB ALA 92 1HB ALA 92 14.422 0.263 0.263 687 H LYS 93 HN LYS 93 14.504 1.646 1.646 688 HA LYS 93 HA LYS 93 12.880 -0.564 -0.564 689 1HB LYS 93 2HB LYS 93 13.137 2.320 2.320 690 2HB LYS 93 1HB LYS 93 12.367 0.991 0.991 691 1HG LYS 93 2HG LYS 93 14.552 -0.235 -0.235 692 2HG LYS 93 1HG LYS 93 15.319 1.154 1.154 693 1HD LYS 93 2HD LYS 93 14.660 2.611 2.611 694 2HD LYS 93 1HD LYS 93 13.919 1.215 1.215 695 1HE LYS 93 1HE LYS 93 16.133 0.068 0.068 696 2HE LYS 93 2HE LYS 93 16.870 1.472 1.472 697 1HZ LYS 93 2HZ LYS 93 16.246 2.792 2.792 698 2HZ LYS 93 3HZ LYS 93 15.562 1.488 1.488 699 3HZ LYS 93 1HZ LYS 93 17.185 1.522 1.522 700 H THR 94 H THR 94 10.528 -0.384 -0.384 701 HA THR 94 HA THR 94 9.053 1.451 1.451 702 HB THR 94 HB THR 94 8.994 -0.799 -0.799 703 HG1 THR 94 HG1 THR 94 6.858 -0.743 -0.743 704 1HG2 THR 94 1HG2 THR 94 9.412 -2.174 -2.174 705 2HG2 THR 94 2HG2 THR 94 7.796 -1.754 -1.754 706 3HG2 THR 94 3HG2 THR 94 7.971 -2.697 -2.697 707 H GLY 95 H GLY 95 7.140 2.202 2.202 708 1HA GLY 95 1HA GLY 95 6.908 2.233 2.233 709 2HA GLY 95 2HA GLY 95 5.746 2.869 2.869 710 H MET 96 H MET 96 5.709 0.188 0.188 711 HA MET 96 HA MET 96 3.473 -0.849 -0.849 712 1HB MET 96 1HB MET 96 3.858 -0.866 -0.866 713 2HB MET 96 2HB MET 96 4.966 -2.196 -2.196 714 1HG MET 96 1HG MET 96 3.285 -3.658 -3.658 715 2HG MET 96 2HG MET 96 2.264 -2.398 -2.398 716 1HE MET 96 3HE MET 96 3.740 -3.097 -3.097 717 2HE MET 96 2HE MET 96 2.996 -4.646 -4.646 718 3HE MET 96 1HE MET 96 2.289 -3.697 -3.697 719 H ALA 97 H ALA 97 4.497 -1.250 -1.250 720 HA ALA 97 HA ALA 97 6.143 -3.633 -3.633 721 1HB ALA 97 2HB ALA 97 6.211 -1.756 -1.756 722 2HB ALA 97 3HB ALA 97 4.506 -2.032 -2.032 723 3HB ALA 97 1HB ALA 97 5.730 -3.263 -3.263 724 H PHE 98 H PHE 98 4.371 -4.624 -4.624 725 HA PHE 98 HA PHE 98 2.817 -6.585 -6.585 726 1HB PHE 98 1HB PHE 98 1.073 -4.998 -4.998 727 2HB PHE 98 2HB PHE 98 1.609 -4.197 -4.197 728 HD1 PHE 98 HD2 PHE 98 -0.332 -7.091 -7.091 729 HD2 PHE 98 HD1 PHE 98 1.037 -4.958 -4.958 730 HE1 PHE 98 HE2 PHE 98 -1.893 -8.391 -8.391 731 HE2 PHE 98 HE1 PHE 98 -0.442 -6.314 -6.314 732 HZ PHE 98 HZ PHE 98 -1.991 -7.979 -7.979 733 H LYS 99 HN LYS 99 2.308 -8.326 -8.326 734 HA LYS 99 HA LYS 99 3.102 -8.022 -8.022 735 1HB LYS 99 2HB LYS 99 4.288 -10.363 -10.363 736 2HB LYS 99 1HB LYS 99 4.663 -9.777 -9.777 737 1HG LYS 99 2HG LYS 99 5.669 -7.707 -7.707 738 2HG LYS 99 1HG LYS 99 5.501 -8.540 -8.540 739 1HD LYS 99 2HD LYS 99 7.087 -9.530 -9.530 740 2HD LYS 99 1HD LYS 99 7.779 -8.801 -8.801 741 1HE LYS 99 1HE LYS 99 6.317 -11.479 -11.479 742 2HE LYS 99 2HE LYS 99 8.042 -11.221 -11.221 743 1HZ LYS 99 1HZ LYS 99 7.508 -10.179 -10.179 744 2HZ LYS 99 3HZ LYS 99 5.900 -10.456 -10.456 745 3HZ LYS 99 2HZ LYS 99 6.937 -11.724 -11.724 746 H LEU 100 H LEU 100 2.211 -9.855 -9.855 747 HA LEU 100 HA LEU 100 0.702 -11.931 -11.931 748 1HB LEU 100 2HB LEU 100 -0.857 -10.037 -10.037 749 2HB LEU 100 1HB LEU 100 -0.668 -9.769 -9.769 750 HG LEU 100 HG LEU 100 -1.650 -12.091 -12.091 751 1HD1 LEU 100 1HD2 LEU 100 -2.247 -11.877 -11.877 752 2HD1 LEU 100 3HD2 LEU 100 -2.968 -13.059 -13.059 753 3HD1 LEU 100 2HD2 LEU 100 -1.233 -13.107 -13.107 754 1HD2 LEU 100 2HD1 LEU 100 -2.958 -10.011 -10.011 755 2HD2 LEU 100 1HD1 LEU 100 -3.932 -11.361 -11.361 756 3HD2 LEU 100 3HD1 LEU 100 -3.387 -10.094 -10.094 757 H ALA 101 H ALA 101 1.441 -13.652 -13.652 758 HA ALA 101 HA ALA 101 2.274 -13.380 -13.380 759 1HB ALA 101 1HB ALA 101 3.465 -14.799 -14.799 760 2HB ALA 101 3HB ALA 101 2.036 -15.852 -15.852 761 3HB ALA 101 2HB ALA 101 2.924 -15.720 -15.720 762 H LYS 102 HN LYS 102 -0.468 -12.718 -12.718 763 HA LYS 102 HA LYS 102 -1.783 -14.379 -14.379 764 1HB LYS 102 2HB LYS 102 -2.754 -14.361 -14.361 765 2HB LYS 102 1HB LYS 102 -3.817 -14.758 -14.758 766 1HG LYS 102 1HG LYS 102 -1.385 -16.343 -16.343 767 2HG LYS 102 2HG LYS 102 -3.076 -16.758 -16.758 768 1HD LYS 102 2HD LYS 102 -1.598 -16.631 -16.631 769 2HD LYS 102 1HD LYS 102 -2.122 -18.070 -18.070 770 1HE LYS 102 1HE LYS 102 -4.510 -17.347 -17.347 771 2HE LYS 102 2HE LYS 102 -3.966 -15.954 -15.954 772 1HZ LYS 102 3HZ LYS 102 -3.015 -17.451 -17.451 773 2HZ LYS 102 2HZ LYS 102 -3.524 -18.758 -18.758 774 3HZ LYS 102 1HZ LYS 102 -4.626 -17.740 -17.740 775 H GLY 103 H GLY 103 -4.174 -13.380 -13.380 776 1HA GLY 103 1HA GLY 103 -5.597 -11.574 -11.574 777 2HA GLY 103 2HA GLY 103 -4.468 -10.699 -10.699 778 H GLY 104 H GLY 104 -2.222 -10.447 -10.447 779 1HA GLY 104 1HA GLY 104 -2.142 -8.308 -8.308 780 2HA GLY 104 2HA GLY 104 -1.081 -9.687 -9.687 781 H GLU 105 HN GLU 105 -2.455 -11.490 -11.490 782 HA GLU 105 HA GLU 105 -2.748 -10.562 -10.562 783 1HB GLU 105 1HB GLU 105 -3.718 -12.785 -12.785 784 2HB GLU 105 2HB GLU 105 -2.217 -12.810 -12.810 785 1HG GLU 105 1HG GLU 105 -5.014 -13.339 -13.339 786 2HG GLU 105 2HG GLU 105 -3.731 -14.478 -14.478 787 H ASP 106 HN ASP 106 -5.446 -11.360 -11.360 788 HA ASP 106 HA ASP 106 -7.466 -10.547 -10.547 789 1HB ASP 106 2HB ASP 106 -8.991 -10.814 -10.814 790 2HB ASP 106 1HB ASP 106 -8.146 -12.253 -12.253 791 H VAL 107 H VAL 107 -5.909 -9.061 -9.061 792 HA VAL 107 HA VAL 107 -7.534 -6.723 -6.723 793 HB VAL 107 HB VAL 107 -4.696 -7.204 -7.204 794 1HG1 VAL 107 2HG1 VAL 107 -6.577 -4.826 -4.826 795 2HG1 VAL 107 1HG1 VAL 107 -5.252 -5.154 -5.154 796 3HG1 VAL 107 3HG1 VAL 107 -4.896 -4.814 -4.814 797 1HG2 VAL 107 2HG2 VAL 107 -6.553 -8.536 -8.536 798 2HG2 VAL 107 3HG2 VAL 107 -5.777 -7.382 -7.382 799 3HG2 VAL 107 1HG2 VAL 107 -7.358 -7.004 -7.004 800 H ALA 108 H ALA 108 -4.500 -7.455 -7.455 801 HA ALA 108 HA ALA 108 -4.136 -4.880 -4.880 802 1HB ALA 108 2HB ALA 108 -3.478 -7.612 -7.612 803 2HB ALA 108 1HB ALA 108 -2.868 -6.049 -6.049 804 3HB ALA 108 3HB ALA 108 -2.428 -6.624 -6.624 805 H ALA 109 H ALA 109 -6.016 -7.696 -7.696 806 HA ALA 109 HA ALA 109 -7.023 -6.416 -6.416 807 1HB ALA 109 1HB ALA 109 -7.144 -8.818 -8.818 808 2HB ALA 109 2HB ALA 109 -8.336 -8.584 -8.584 809 3HB ALA 109 3HB ALA 109 -8.747 -8.147 -8.147 810 H TYR 110 H TYR 110 -8.336 -6.554 -6.554 811 HA TYR 110 HA TYR 110 -10.680 -5.062 -5.062 812 1HB TYR 110 2HB TYR 110 -10.387 -6.226 -6.226 813 2HB TYR 110 1HB TYR 110 -8.994 -5.243 -5.243 814 HD1 TYR 110 HD1 TYR 110 -12.565 -4.689 -4.689 815 HD2 TYR 110 HD2 TYR 110 -9.405 -3.612 -3.612 816 HE1 TYR 110 HE1 TYR 110 -14.068 -3.077 -3.077 817 HE2 TYR 110 HE2 TYR 110 -10.955 -2.075 -2.075 818 HH TYR 110 HH TYR 110 -14.404 -1.876 -1.876 819 H LEU 111 H LEU 111 -7.418 -3.869 -3.869 820 HA LEU 111 HA LEU 111 -8.082 -1.121 -1.121 821 1HB LEU 111 1HB LEU 111 -5.464 -2.563 -2.563 822 2HB LEU 111 2HB LEU 111 -5.591 -0.802 -0.802 823 HG LEU 111 HG LEU 111 -6.576 -2.572 -2.572 824 1HD1 LEU 111 3HD1 LEU 111 -3.852 -1.243 -1.243 825 2HD1 LEU 111 1HD1 LEU 111 -4.447 -2.057 -2.057 826 3HD1 LEU 111 2HD1 LEU 111 -4.175 -2.993 -2.993 827 1HD2 LEU 111 2HD2 LEU 111 -5.836 0.384 0.384 828 2HD2 LEU 111 1HD2 LEU 111 -7.471 -0.262 -0.262 829 3HD2 LEU 111 3HD2 LEU 111 -6.268 -0.455 -0.455 830 H ALA 112 H ALA 112 -6.843 -3.200 -3.200 831 HA ALA 112 HA ALA 112 -6.755 -1.216 -1.216 832 1HB ALA 112 2HB ALA 112 -5.760 -3.446 -3.446 833 2HB ALA 112 3HB ALA 112 -7.377 -4.179 -4.179 834 3HB ALA 112 1HB ALA 112 -6.838 -3.075 -3.075 835 H SER 113 H SER 113 -9.483 -3.211 -3.211 836 HA SER 113 HA SER 113 -11.366 -2.261 -2.261 837 1HB SER 113 2HB SER 113 -11.959 -3.372 -3.372 838 2HB SER 113 1HB SER 113 -13.041 -3.306 -3.306 839 HG SER 113 HG SER 113 -10.597 -4.779 -4.779 840 H VAL 114 H VAL 114 -10.418 -1.180 -1.180 841 HA VAL 114 HA VAL 114 -12.533 0.666 0.666 842 HB VAL 114 HB VAL 114 -9.915 -0.078 -0.078 843 1HG1 VAL 114 3HG2 VAL 114 -11.536 2.315 2.315 844 2HG1 VAL 114 2HG2 VAL 114 -10.277 1.511 1.511 845 3HG1 VAL 114 1HG2 VAL 114 -9.826 2.284 2.284 846 1HG2 VAL 114 3HG1 VAL 114 -12.037 -1.366 -1.366 847 2HG2 VAL 114 1HG1 VAL 114 -11.342 -0.649 -0.649 848 3HG2 VAL 114 2HG1 VAL 114 -12.751 0.105 0.105 849 H VAL 115 H VAL 115 -9.225 1.081 1.081 850 HA VAL 115 HA VAL 115 -9.381 3.943 3.943 851 HB VAL 115 HB VAL 115 -7.296 2.854 2.854 852 1HG1 VAL 115 1HG2 VAL 115 -7.716 0.930 0.930 853 2HG1 VAL 115 3HG2 VAL 115 -7.837 1.966 1.966 854 3HG1 VAL 115 2HG2 VAL 115 -6.314 1.848 1.848 855 1HG2 VAL 115 1HG1 VAL 115 -7.502 5.169 5.169 856 2HG2 VAL 115 3HG1 VAL 115 -6.189 4.289 4.289 857 3HG2 VAL 115 2HG1 VAL 115 -7.719 4.555 4.555 858 H LYS 116 HN LYS 116 -11.482 4.377 4.377 859 HA LYS 116 HA LYS 116 -11.986 4.753 4.753 860 1HB LYS 116 1HB LYS 116 -14.239 3.903 3.903 861 2HB LYS 116 2HB LYS 116 -13.133 2.671 2.671 862 1HG LYS 116 1HG LYS 116 -13.555 4.018 4.018 863 2HG LYS 116 2HG LYS 116 -15.010 4.535 4.535 864 1HD LYS 116 1HD LYS 116 -15.771 2.207 2.207 865 2HD LYS 116 2HD LYS 116 -14.172 1.611 1.611 866 1HE LYS 116 2HE LYS 116 -15.661 1.464 1.464 867 2HE LYS 116 1HE LYS 116 -14.393 2.659 2.659 868 1HZ LYS 116 1HZ LYS 116 -17.134 3.277 3.277 869 2HZ LYS 116 3HZ LYS 116 -16.544 3.444 3.444 870 3HZ LYS 116 2HZ LYS 116 -15.947 4.377 4.377 871 HHA HEC 117 HHA HEM 117 3.110 2.188 2.188 872 HHB HEC 117 HHB HEM 117 -0.910 -1.947 -1.947 873 HHC HEC 117 HHC HEM 117 -2.509 -4.089 -4.089 874 HHD HEC 117 HHD HEM 117 1.189 0.456 0.456 875 1HMA HEC 117 1HMA HEM 117 0.245 -0.307 -0.307 876 2HMA HEC 117 2HMA HEM 117 1.068 -1.852 -1.852 877 3HMA HEC 117 3HMA HEM 117 2.011 -0.436 -0.436 878 1HAA HEC 117 1HAA HEM 117 3.530 1.085 1.085 879 2HAA HEC 117 2HAA HEM 117 3.433 2.249 2.249 880 1HBA HEC 117 1HBA HEM 117 1.112 2.884 2.884 881 2HBA HEC 117 2HBA HEM 117 1.571 1.983 1.983 882 1HMB HEC 117 1HMB HEM 117 -2.015 -3.826 -3.826 883 2HMB HEC 117 2HMB HEM 117 -3.057 -4.975 -4.975 884 3HMB HEC 117 3HMB HEM 117 -3.647 -3.328 -3.328 885 HAB HEC 117 HAB HEM 117 -3.558 -5.625 -5.625 886 1HBB HEC 117 1HBB HEM 117 -4.092 -5.418 -5.418 887 2HBB HEC 117 2HBB HEM 117 -2.741 -6.247 -6.247 888 3HBB HEC 117 3HBB HEM 117 -4.409 -6.703 -6.703 889 1HMC HEC 117 1HMC HEM 117 -1.952 -3.766 -3.766 890 2HMC HEC 117 2HMC HEM 117 -3.285 -3.306 -3.306 891 3HMC HEC 117 3HMC HEM 117 -2.167 -4.616 -4.616 892 HAC HEC 117 HAC HEM 117 -1.485 -1.735 -1.735 893 1HBC HEC 117 1HBC HEM 117 1.406 -0.789 -0.789 894 2HBC HEC 117 2HBC HEM 117 0.422 -1.078 -1.078 895 3HBC HEC 117 3HBC HEM 117 0.865 -2.433 -2.433 896 1HMD HEC 117 1HMD HEM 117 3.378 3.424 3.424 897 2HMD HEC 117 2HMD HEM 117 2.977 1.909 1.909 898 3HMD HEC 117 3HMD HEM 117 1.698 3.052 3.052 899 1HAD HEC 117 1HAD HEM 117 3.455 3.985 3.985 900 2HAD HEC 117 2HAD HEM 117 4.036 3.993 3.993 901 1HBD HEC 117 1HBD HEM 117 5.523 1.970 1.970 902 2HBD HEC 117 2HBD HEM 117 5.227 2.572 2.572 Start of MODEL 2 1 1H GLY 1 1H GLY 1 -7.548 -12.975 -12.975 2 2H GLY 1 2H GLY 1 -7.810 -14.107 -14.107 3 1HA GLY 1 1HA GLY 1 -7.105 -11.271 -11.271 4 2HA GLY 1 2HA GLY 1 -7.402 -12.476 -12.476 5 H ASP 2 HN ASP 2 -9.494 -12.757 -12.757 6 HA ASP 2 HA ASP 2 -11.815 -12.025 -12.025 7 1HB ASP 2 2HB ASP 2 -11.629 -13.395 -13.395 8 2HB ASP 2 1HB ASP 2 -13.136 -13.013 -13.013 9 H ALA 3 H ALA 3 -11.372 -9.783 -9.783 10 HA ALA 3 HA ALA 3 -10.995 -7.974 -7.974 11 1HB ALA 3 1HB ALA 3 -11.415 -7.384 -7.384 12 2HB ALA 3 2HB ALA 3 -13.144 -7.754 -7.754 13 3HB ALA 3 3HB ALA 3 -12.428 -6.389 -6.389 14 H ALA 4 H ALA 4 -14.177 -9.529 -9.529 15 HA ALA 4 HA ALA 4 -15.684 -8.094 -8.094 16 1HB ALA 4 1HB ALA 4 -16.664 -9.669 -9.669 17 2HB ALA 4 2HB ALA 4 -15.895 -11.036 -11.036 18 3HB ALA 4 3HB ALA 4 -17.151 -10.082 -10.082 19 H LYS 5 HN LYS 5 -13.603 -11.005 -11.005 20 HA LYS 5 HA LYS 5 -14.186 -11.130 -11.130 21 1HB LYS 5 2HB LYS 5 -11.940 -12.427 -12.427 22 2HB LYS 5 1HB LYS 5 -12.487 -12.818 -12.818 23 1HG LYS 5 2HG LYS 5 -14.827 -12.978 -12.978 24 2HG LYS 5 1HG LYS 5 -13.626 -13.566 -13.566 25 1HD LYS 5 1HD LYS 5 -14.040 -14.631 -14.631 26 2HD LYS 5 2HD LYS 5 -14.654 -15.401 -15.401 27 1HE LYS 5 1HE LYS 5 -11.680 -14.928 -14.928 28 2HE LYS 5 2HE LYS 5 -12.546 -16.432 -16.432 29 1HZ LYS 5 3HZ LYS 5 -13.059 -16.599 -16.599 30 2HZ LYS 5 2HZ LYS 5 -12.224 -15.220 -15.220 31 3HZ LYS 5 1HZ LYS 5 -11.434 -16.535 -16.535 32 H GLY 6 H GLY 6 -11.687 -9.842 -9.842 33 1HA GLY 6 1HA GLY 6 -9.770 -8.889 -8.889 34 2HA GLY 6 2HA GLY 6 -10.254 -8.061 -8.061 35 H GLU 7 HN GLU 7 -12.844 -7.230 -7.230 36 HA GLU 7 HA GLU 7 -12.634 -4.893 -4.893 37 1HB GLU 7 1HB GLU 7 -15.044 -6.699 -6.699 38 2HB GLU 7 2HB GLU 7 -15.156 -5.093 -5.093 39 1HG GLU 7 2HG GLU 7 -14.529 -3.998 -3.998 40 2HG GLU 7 1HG GLU 7 -13.841 -5.454 -5.454 41 H LYS 8 HN LYS 8 -13.551 -8.158 -8.158 42 HA LYS 8 HA LYS 8 -14.302 -7.283 -7.283 43 1HB LYS 8 2HB LYS 8 -13.754 -10.108 -10.108 44 2HB LYS 8 1HB LYS 8 -14.658 -9.615 -9.615 45 1HG LYS 8 2HG LYS 8 -16.346 -8.499 -8.499 46 2HG LYS 8 1HG LYS 8 -15.449 -9.074 -9.074 47 1HD LYS 8 1HD LYS 8 -15.761 -11.444 -11.444 48 2HD LYS 8 2HD LYS 8 -16.777 -10.804 -10.804 49 1HE LYS 8 1HE LYS 8 -18.237 -11.541 -11.541 50 2HE LYS 8 2HE LYS 8 -18.283 -9.771 -9.771 51 1HZ LYS 8 2HZ LYS 8 -16.704 -9.798 -9.798 52 2HZ LYS 8 1HZ LYS 8 -16.712 -11.442 -11.442 53 3HZ LYS 8 3HZ LYS 8 -18.085 -10.613 -10.613 54 H GLU 9 HN GLU 9 -11.600 -8.996 -8.996 55 HA GLU 9 HA GLU 9 -9.996 -9.433 -9.433 56 1HB GLU 9 2HB GLU 9 -9.740 -10.350 -10.350 57 2HB GLU 9 1HB GLU 9 -9.035 -8.790 -8.790 58 1HG GLU 9 1HG GLU 9 -7.206 -10.201 -10.201 59 2HG GLU 9 2HG GLU 9 -7.274 -9.261 -9.261 60 H PHE 10 H PHE 10 -10.306 -6.567 -6.567 61 HA PHE 10 HA PHE 10 -8.257 -4.996 -4.996 62 1HB PHE 10 2HB PHE 10 -9.872 -4.544 -4.544 63 2HB PHE 10 1HB PHE 10 -10.971 -3.874 -3.874 64 HD1 PHE 10 HD2 PHE 10 -7.726 -3.486 -3.486 65 HD2 PHE 10 HD1 PHE 10 -10.380 -1.756 -1.756 66 HE1 PHE 10 HE2 PHE 10 -6.362 -1.431 -1.431 67 HE2 PHE 10 HE1 PHE 10 -8.953 0.281 0.281 68 HZ PHE 10 HZ PHE 10 -7.026 0.498 0.498 69 H ASN 11 H ASN 11 -11.064 -6.071 -6.071 70 HA ASN 11 HA ASN 11 -11.391 -4.035 -4.035 71 1HB ASN 11 1HB ASN 11 -12.825 -6.011 -6.011 72 2HB ASN 11 2HB ASN 11 -11.467 -7.053 -7.053 73 1HD2 ASN 11 1HD2 ASN 11 -11.972 -6.457 -6.457 74 2HD2 ASN 11 2HD2 ASN 11 -11.254 -7.461 -7.461 75 H LYS 12 HN LYS 12 -8.690 -6.310 -6.310 76 HA LYS 12 HA LYS 12 -7.483 -5.701 -5.701 77 1HB LYS 12 1HB LYS 12 -6.435 -7.044 -7.044 78 2HB LYS 12 2HB LYS 12 -5.491 -6.825 -6.825 79 1HG LYS 12 1HG LYS 12 -7.193 -8.021 -8.021 80 2HG LYS 12 2HG LYS 12 -8.189 -8.268 -8.268 81 1HD LYS 12 2HD LYS 12 -5.353 -9.357 -9.357 82 2HD LYS 12 1HD LYS 12 -6.826 -10.240 -10.240 83 1HE LYS 12 2HE LYS 12 -7.645 -9.931 -9.931 84 2HE LYS 12 1HE LYS 12 -6.044 -9.288 -9.288 85 1HZ LYS 12 1HZ LYS 12 -5.115 -11.374 -11.374 86 2HZ LYS 12 2HZ LYS 12 -6.617 -11.952 -11.952 87 3HZ LYS 12 3HZ LYS 12 -6.214 -11.617 -11.617 88 H CYS 13 H CYS 13 -6.790 -4.767 -4.767 89 HA CYS 13 HA CYS 13 -4.728 -2.961 -2.961 90 1HB CYS 13 1HB CYS 13 -6.929 -2.637 -2.637 91 2HB CYS 13 2HB CYS 13 -5.307 -1.933 -1.933 92 H LYS 14 HN LYS 14 -8.245 -2.215 -2.215 93 HA LYS 14 HA LYS 14 -8.017 0.534 0.534 94 1HB LYS 14 2HB LYS 14 -10.296 0.627 0.627 95 2HB LYS 14 1HB LYS 14 -10.083 -0.742 -0.742 96 1HG LYS 14 2HG LYS 14 -11.368 -1.774 -1.774 97 2HG LYS 14 1HG LYS 14 -9.781 -2.058 -2.058 98 1HD LYS 14 1HD LYS 14 -10.203 0.018 0.018 99 2HD LYS 14 2HD LYS 14 -11.792 0.135 0.135 100 1HE LYS 14 2HE LYS 14 -11.973 -0.966 -0.966 101 2HE LYS 14 1HE LYS 14 -12.361 -2.133 -2.133 102 1HZ LYS 14 2HZ LYS 14 -9.744 -1.915 -1.915 103 2HZ LYS 14 1HZ LYS 14 -10.914 -3.018 -3.018 104 3HZ LYS 14 3HZ LYS 14 -10.185 -3.046 -3.046 105 H THR 15 H THR 15 -7.219 -1.782 -1.782 106 HA THR 15 HA THR 15 -7.684 -0.209 -0.209 107 HB THR 15 HB THR 15 -5.490 -2.279 -2.279 108 HG1 THR 15 HG1 THR 15 -7.311 -3.287 -3.287 109 1HG2 THR 15 1HG2 THR 15 -7.088 -1.433 -1.433 110 2HG2 THR 15 3HG2 THR 15 -5.930 -2.776 -2.776 111 3HG2 THR 15 2HG2 THR 15 -5.362 -1.112 -1.112 112 H CYS 16 H CYS 16 -5.247 -0.023 -0.023 113 HA CYS 16 HA CYS 16 -3.849 2.157 2.157 114 1HB CYS 16 1HB CYS 16 -2.735 0.198 0.198 115 2HB CYS 16 2HB CYS 16 -1.883 1.639 1.639 116 H HIS 17 HN HIS 17 -5.030 1.007 1.007 117 HA HIS 17 HA HIS 17 -4.443 3.663 3.663 118 1HB HIS 17 2HB HIS 17 -5.207 0.961 0.961 119 2HB HIS 17 1HB HIS 17 -4.898 2.387 2.387 120 HD1 HIS 17 HD1 HIS 17 -2.605 3.331 3.331 121 HD2 HIS 17 HD2 HIS 17 -2.683 -0.296 -0.296 122 HE1 HIS 17 HE1 HIS 17 -0.314 2.315 2.315 123 H SER 18 H SER 18 -6.087 3.860 3.860 124 HA SER 18 HA SER 18 -8.914 3.417 3.417 125 1HB SER 18 2HB SER 18 -8.626 5.470 5.470 126 2HB SER 18 1HB SER 18 -7.575 6.146 6.146 127 HG SER 18 HG SER 18 -10.376 5.655 5.655 128 H ILE 19 H ILE 19 -10.276 4.321 4.321 129 HA ILE 19 HA ILE 19 -8.955 4.373 4.373 130 HB ILE 19 HB ILE 19 -11.404 2.663 2.663 131 1HG1 ILE 19 2HG1 ILE 19 -8.543 1.808 1.808 132 2HG1 ILE 19 1HG1 ILE 19 -9.382 1.573 1.573 133 1HG2 ILE 19 3HG2 ILE 19 -11.186 3.821 3.821 134 2HG2 ILE 19 1HG2 ILE 19 -9.759 2.791 2.791 135 3HG2 ILE 19 2HG2 ILE 19 -11.362 2.074 2.074 136 1HD1 ILE 19 1HD1 ILE 19 -11.099 0.186 0.186 137 2HD1 ILE 19 3HD1 ILE 19 -10.148 0.289 0.289 138 3HD1 ILE 19 2HD1 ILE 19 -9.467 -0.496 -0.496 139 H ILE 20 H ILE 20 -9.683 6.223 6.223 140 HA ILE 20 HA ILE 20 -12.356 7.264 7.264 141 HB ILE 20 HB ILE 20 -10.614 8.105 8.105 142 1HG1 ILE 20 1HG1 ILE 20 -11.521 10.595 10.595 143 2HG1 ILE 20 2HG1 ILE 20 -12.797 9.417 9.417 144 1HG2 ILE 20 2HG2 ILE 20 -8.744 8.387 8.387 145 2HG2 ILE 20 1HG2 ILE 20 -9.591 9.796 9.796 146 3HG2 ILE 20 3HG2 ILE 20 -9.036 9.805 9.805 147 1HD1 ILE 20 3HD1 ILE 20 -12.156 9.226 9.226 148 2HD1 ILE 20 1HD1 ILE 20 -10.871 10.425 10.425 149 3HD1 ILE 20 2HD1 ILE 20 -12.577 10.894 10.894 150 H ALA 21 H ALA 21 -13.244 8.285 8.285 151 HA ALA 21 HA ALA 21 -11.880 7.985 7.985 152 1HB ALA 21 2HB ALA 21 -14.360 7.810 7.810 153 2HB ALA 21 1HB ALA 21 -14.406 9.540 9.540 154 3HB ALA 21 3HB ALA 21 -13.925 9.025 9.025 155 HA PRO 22 HA PRO 22 -9.807 11.924 11.924 156 1HB PRO 22 2HB PRO 22 -11.420 12.498 12.498 157 2HB PRO 22 1HB PRO 22 -9.658 12.660 12.660 158 1HG PRO 22 1HG PRO 22 -10.626 10.507 10.507 159 2HG PRO 22 2HG PRO 22 -9.381 10.261 10.261 160 1HD PRO 22 1HD PRO 22 -12.382 9.947 9.947 161 2HD PRO 22 2HD PRO 22 -11.089 8.831 8.831 162 H ASP 23 HN ASP 23 -13.262 12.013 12.013 163 HA ASP 23 HA ASP 23 -13.856 14.644 14.644 164 1HB ASP 23 1HB ASP 23 -15.706 12.230 12.230 165 2HB ASP 23 2HB ASP 23 -16.164 13.915 13.915 166 H GLY 24 H GLY 24 -12.689 12.384 12.384 167 1HA GLY 24 1HA GLY 24 -12.599 12.641 12.641 168 2HA GLY 24 2HA GLY 24 -13.886 13.845 13.845 169 H THR 25 H THR 25 -15.248 11.442 11.442 170 HA THR 25 HA THR 25 -16.973 10.544 10.544 171 HB THR 25 HB THR 25 -16.469 9.052 9.052 172 HG1 THR 25 HG1 THR 25 -17.663 11.601 11.601 173 1HG2 THR 25 3HG2 THR 25 -18.264 8.239 8.239 174 2HG2 THR 25 2HG2 THR 25 -19.016 9.851 9.851 175 3HG2 THR 25 1HG2 THR 25 -18.916 8.892 8.892 176 H GLU 26 HN GLU 26 -16.103 9.445 9.445 177 HA GLU 26 HA GLU 26 -13.857 7.712 7.712 178 1HB GLU 26 1HB GLU 26 -14.187 7.278 7.278 179 2HB GLU 26 2HB GLU 26 -14.478 8.974 8.974 180 1HG GLU 26 2HG GLU 26 -16.184 8.538 8.538 181 2HG GLU 26 1HG GLU 26 -17.017 8.371 8.371 182 H ILE 27 H ILE 27 -13.666 5.648 5.648 183 HA ILE 27 HA ILE 27 -16.091 4.009 4.009 184 HB ILE 27 HB ILE 27 -13.120 3.656 3.656 185 1HG1 ILE 27 2HG1 ILE 27 -13.698 3.345 3.345 186 2HG1 ILE 27 1HG1 ILE 27 -15.434 3.451 3.451 187 1HG2 ILE 27 3HG2 ILE 27 -15.307 1.557 1.557 188 2HG2 ILE 27 1HG2 ILE 27 -13.695 1.403 1.403 189 3HG2 ILE 27 2HG2 ILE 27 -13.863 1.471 1.471 190 1HD1 ILE 27 3HD1 ILE 27 -13.442 5.713 5.713 191 2HD1 ILE 27 1HD1 ILE 27 -14.397 5.494 5.494 192 3HD1 ILE 27 2HD1 ILE 27 -15.227 5.812 5.812 193 H VAL 28 H VAL 28 -13.161 4.279 4.279 194 HA VAL 28 HA VAL 28 -14.686 3.229 3.229 195 HB VAL 28 HB VAL 28 -13.830 1.136 1.136 196 1HG1 VAL 28 2HG2 VAL 28 -11.493 2.045 2.045 197 2HG1 VAL 28 3HG2 VAL 28 -11.131 1.824 1.824 198 3HG1 VAL 28 1HG2 VAL 28 -11.592 0.434 0.434 199 1HG2 VAL 28 2HG1 VAL 28 -14.588 1.225 1.225 200 2HG2 VAL 28 3HG1 VAL 28 -13.216 0.117 0.117 201 3HG2 VAL 28 1HG1 VAL 28 -12.969 1.728 1.728 202 H LYS 29 HN LYS 29 -14.423 4.962 4.962 203 HA LYS 29 HA LYS 29 -12.027 6.531 6.531 204 1HB LYS 29 2HB LYS 29 -13.246 7.701 7.701 205 2HB LYS 29 1HB LYS 29 -14.129 7.587 7.587 206 1HG LYS 29 1HG LYS 29 -15.553 5.771 5.771 207 2HG LYS 29 2HG LYS 29 -14.638 5.832 5.832 208 1HD LYS 29 2HD LYS 29 -15.365 8.153 8.153 209 2HD LYS 29 1HD LYS 29 -16.157 8.186 8.186 210 1HE LYS 29 1HE LYS 29 -17.823 7.843 7.843 211 2HE LYS 29 2HE LYS 29 -17.728 6.415 6.415 212 1HZ LYS 29 3HZ LYS 29 -16.439 6.705 6.705 213 2HZ LYS 29 2HZ LYS 29 -17.816 5.854 5.854 214 3HZ LYS 29 1HZ LYS 29 -16.385 5.363 5.363 215 H GLY 30 H GLY 30 -10.887 4.257 4.257 216 1HA GLY 30 1HA GLY 30 -10.776 3.238 3.238 217 2HA GLY 30 2HA GLY 30 -9.672 2.885 2.885 218 H ALA 31 H ALA 31 -8.115 3.098 3.098 219 HA ALA 31 HA ALA 31 -7.698 5.740 5.740 220 1HB ALA 31 2HB ALA 31 -7.048 3.657 3.657 221 2HB ALA 31 3HB ALA 31 -5.852 3.342 3.342 222 3HB ALA 31 1HB ALA 31 -5.663 4.749 4.749 223 H LYS 32 HN LYS 32 -5.483 6.801 6.801 224 HA LYS 32 HA LYS 32 -4.569 6.885 6.885 225 1HB LYS 32 2HB LYS 32 -4.723 9.203 9.203 226 2HB LYS 32 1HB LYS 32 -4.220 9.268 9.268 227 1HG LYS 32 1HG LYS 32 -7.019 8.609 8.609 228 2HG LYS 32 2HG LYS 32 -6.491 10.140 10.140 229 1HD LYS 32 2HD LYS 32 -5.962 8.959 8.959 230 2HD LYS 32 1HD LYS 32 -6.604 7.461 7.461 231 1HE LYS 32 1HE LYS 32 -8.171 10.036 10.036 232 2HE LYS 32 2HE LYS 32 -8.275 8.555 8.555 233 1HZ LYS 32 3HZ LYS 32 -9.029 7.418 7.418 234 2HZ LYS 32 2HZ LYS 32 -9.038 8.851 8.851 235 3HZ LYS 32 1HZ LYS 32 -10.043 8.626 8.626 236 H THR 33 H THR 33 -3.611 5.127 5.127 237 HA THR 33 HA THR 33 -1.166 6.210 6.210 238 HB THR 33 HB THR 33 -1.808 3.286 3.286 239 HG1 THR 33 HG1 THR 33 -2.998 3.380 3.380 240 1HG2 THR 33 1HG2 THR 33 0.403 3.881 3.881 241 2HG2 THR 33 2HG2 THR 33 -0.415 4.750 4.750 242 3HG2 THR 33 3HG2 THR 33 -0.606 2.991 2.991 243 H GLY 34 H GLY 34 -2.246 4.259 4.259 244 1HA GLY 34 1HA GLY 34 0.365 4.730 4.730 245 2HA GLY 34 2HA GLY 34 -0.773 3.415 3.415 246 HA PRO 35 HA PRO 35 -1.778 7.421 7.421 247 1HB PRO 35 2HB PRO 35 -1.183 6.445 6.445 248 2HB PRO 35 1HB PRO 35 -0.007 7.264 7.264 249 1HG PRO 35 2HG PRO 35 -0.458 4.292 4.292 250 2HG PRO 35 1HG PRO 35 1.081 5.197 5.197 251 1HD PRO 35 1HD PRO 35 0.504 4.073 4.073 252 2HD PRO 35 2HD PRO 35 1.044 5.752 5.752 253 H ASN 36 H ASN 36 -3.330 7.463 7.463 254 HA ASN 36 HA ASN 36 -5.581 5.676 5.676 255 1HB ASN 36 1HB ASN 36 -5.169 8.372 8.372 256 2HB ASN 36 2HB ASN 36 -6.141 7.396 7.396 257 1HD2 ASN 36 1HD2 ASN 36 -8.759 6.898 6.898 258 2HD2 ASN 36 2HD2 ASN 36 -7.993 6.145 6.145 259 H LEU 37 H LEU 37 -5.574 3.732 3.732 260 HA LEU 37 HA LEU 37 -3.613 3.238 3.238 261 1HB LEU 37 2HB LEU 37 -5.780 1.473 1.473 262 2HB LEU 37 1HB LEU 37 -4.564 0.921 0.921 263 HG LEU 37 HG LEU 37 -3.915 2.138 2.138 264 1HD1 LEU 37 3HD1 LEU 37 -3.914 -0.758 -0.758 265 2HD1 LEU 37 1HD1 LEU 37 -3.172 -0.200 -0.200 266 3HD1 LEU 37 2HD1 LEU 37 -4.902 -0.045 -0.045 267 1HD2 LEU 37 3HD2 LEU 37 -2.164 0.868 0.868 268 2HD2 LEU 37 2HD2 LEU 37 -2.034 2.528 2.528 269 3HD2 LEU 37 1HD2 LEU 37 -1.641 1.143 1.143 270 H TYR 38 H TYR 38 -6.784 4.428 4.428 271 HA TYR 38 HA TYR 38 -7.672 3.273 3.273 272 1HB TYR 38 1HB TYR 38 -9.004 4.837 4.837 273 2HB TYR 38 2HB TYR 38 -7.908 6.149 6.149 274 HD1 TYR 38 HD1 TYR 38 -7.797 7.053 7.053 275 HD2 TYR 38 HD2 TYR 38 -10.831 4.265 4.265 276 HE1 TYR 38 HE1 TYR 38 -9.020 7.429 7.429 277 HE2 TYR 38 HE2 TYR 38 -12.153 4.808 4.808 278 HH TYR 38 HH TYR 38 -10.894 6.793 6.793 279 H GLY 39 H GLY 39 -6.475 3.156 3.156 280 1HA GLY 39 1HA GLY 39 -5.452 4.061 4.061 281 2HA GLY 39 2HA GLY 39 -5.365 5.633 5.633 282 H VAL 40 H VAL 40 -3.920 3.045 3.045 283 HA VAL 40 HA VAL 40 -1.286 4.087 4.087 284 HB VAL 40 HB VAL 40 -2.207 1.390 1.390 285 1HG1 VAL 40 3HG2 VAL 40 0.604 2.572 2.572 286 2HG1 VAL 40 1HG2 VAL 40 0.147 1.152 1.152 287 3HG1 VAL 40 2HG2 VAL 40 0.082 1.081 1.081 288 1HG2 VAL 40 3HG1 VAL 40 -2.567 3.567 3.567 289 2HG2 VAL 40 1HG1 VAL 40 -1.610 2.294 2.294 290 3HG2 VAL 40 2HG1 VAL 40 -0.807 3.703 3.703 291 H VAL 41 H VAL 41 -3.036 1.388 1.388 292 HA VAL 41 HA VAL 41 -0.891 0.370 0.370 293 HB VAL 41 HB VAL 41 -3.906 0.411 0.411 294 1HG1 VAL 41 1HG1 VAL 41 -1.764 -1.275 -1.275 295 2HG1 VAL 41 3HG1 VAL 41 -3.515 -1.528 -1.528 296 3HG1 VAL 41 2HG1 VAL 41 -2.792 -0.047 -0.047 297 1HG2 VAL 41 1HG2 VAL 41 -3.190 -0.794 -0.794 298 2HG2 VAL 41 3HG2 VAL 41 -3.835 -1.898 -1.898 299 3HG2 VAL 41 2HG2 VAL 41 -2.083 -1.773 -1.773 300 H GLY 42 H GLY 42 0.313 1.487 1.487 301 1HA GLY 42 1HA GLY 42 0.630 2.556 2.556 302 2HA GLY 42 2HA GLY 42 -0.938 3.357 3.357 303 H ARG 43 HN ARG 43 0.111 3.832 3.832 304 HA ARG 43 HA ARG 43 1.148 6.517 6.517 305 1HB ARG 43 2HB ARG 43 -0.768 6.272 6.272 306 2HB ARG 43 1HB ARG 43 0.232 5.290 5.290 307 1HG ARG 43 2HG ARG 43 0.065 7.468 7.468 308 2HG ARG 43 1HG ARG 43 1.725 7.245 7.245 309 1HD ARG 43 2HD ARG 43 1.199 8.597 8.597 310 2HD ARG 43 1HD ARG 43 -0.461 8.791 8.791 311 HE ARG 43 HE ARG 43 1.487 9.609 9.609 312 1HH1 ARG 43 2HH2 ARG 43 0.058 10.665 10.665 313 2HH1 ARG 43 1HH2 ARG 43 0.333 12.361 12.361 314 1HH2 ARG 43 1HH1 ARG 43 1.842 11.791 11.791 315 2HH2 ARG 43 2HH1 ARG 43 1.383 13.019 13.019 316 H THR 44 H THR 44 3.137 7.292 7.292 317 HA THR 44 HA THR 44 5.352 5.632 5.632 318 HB THR 44 HB THR 44 4.987 8.511 8.511 319 HG1 THR 44 HG1 THR 44 5.605 8.924 8.924 320 1HG2 THR 44 3HG2 THR 44 7.433 6.928 6.928 321 2HG2 THR 44 1HG2 THR 44 7.407 8.671 8.671 322 3HG2 THR 44 2HG2 THR 44 7.155 7.513 7.513 323 H ALA 45 H ALA 45 6.272 4.668 4.668 324 HA ALA 45 HA ALA 45 4.679 4.549 4.549 325 1HB ALA 45 2HB ALA 45 6.225 2.768 2.768 326 2HB ALA 45 3HB ALA 45 7.616 3.847 3.847 327 3HB ALA 45 1HB ALA 45 6.565 3.342 3.342 328 H GLY 46 H GLY 46 5.299 5.173 5.173 329 1HA GLY 46 1HA GLY 46 5.743 6.707 6.707 330 2HA GLY 46 2HA GLY 46 7.274 6.933 6.933 331 H THR 47 H THR 47 4.359 7.812 7.812 332 HA THR 47 HA THR 47 4.672 10.674 10.674 333 HB THR 47 HB THR 47 4.852 11.174 11.174 334 HG1 THR 47 HG1 THR 47 5.658 8.439 8.439 335 1HG2 THR 47 3HG2 THR 47 6.809 11.308 11.308 336 2HG2 THR 47 2HG2 THR 47 7.238 9.647 9.647 337 3HG2 THR 47 1HG2 THR 47 7.231 10.923 10.923 338 H TYR 48 H TYR 48 2.444 8.590 8.590 339 HA TYR 48 HA TYR 48 0.345 9.537 9.537 340 1HB TYR 48 2HB TYR 48 0.320 7.381 7.381 341 2HB TYR 48 1HB TYR 48 0.070 8.327 8.327 342 HD1 TYR 48 HD2 TYR 48 -1.424 7.184 7.184 343 HD2 TYR 48 HD1 TYR 48 -2.107 9.406 9.406 344 HE1 TYR 48 HE2 TYR 48 -3.817 7.270 7.270 345 HE2 TYR 48 HE1 TYR 48 -4.525 9.495 9.495 346 HH TYR 48 HH TYR 48 -5.884 7.500 7.500 347 HA PRO 49 HA PRO 49 0.050 13.572 13.572 348 1HB PRO 49 2HB PRO 49 -2.940 13.200 13.200 349 2HB PRO 49 1HB PRO 49 -1.951 14.645 14.645 350 1HG PRO 49 2HG PRO 49 -2.706 12.977 12.977 351 2HG PRO 49 1HG PRO 49 -1.017 13.565 13.565 352 1HD PRO 49 2HD PRO 49 -2.092 10.884 10.884 353 2HD PRO 49 1HD PRO 49 -0.615 11.281 11.281 354 H GLU 50 HN GLU 50 -0.588 14.728 14.728 355 HA GLU 50 HA GLU 50 -0.660 14.924 14.924 356 1HB GLU 50 1HB GLU 50 -3.386 13.780 13.780 357 2HB GLU 50 2HB GLU 50 -2.992 14.525 14.525 358 1HG GLU 50 2HG GLU 50 -4.063 16.190 16.190 359 2HG GLU 50 1HG GLU 50 -2.368 16.645 16.645 360 H PHE 51 H PHE 51 1.036 12.961 12.961 361 HA PHE 51 HA PHE 51 0.420 11.582 11.582 362 1HB PHE 51 2HB PHE 51 -0.617 10.046 10.046 363 2HB PHE 51 1HB PHE 51 0.957 9.880 9.880 364 HD1 PHE 51 HD1 PHE 51 -0.983 9.252 9.252 365 HD2 PHE 51 HD2 PHE 51 2.762 8.642 8.642 366 HE1 PHE 51 HE1 PHE 51 -0.212 7.803 7.803 367 HE2 PHE 51 HE2 PHE 51 3.522 7.161 7.161 368 HZ PHE 51 HZ PHE 51 2.038 6.750 6.750 369 H LYS 52 HN LYS 52 2.205 11.789 11.789 370 HA LYS 52 HA LYS 52 4.778 12.438 12.438 371 1HB LYS 52 1HB LYS 52 3.956 13.714 13.714 372 2HB LYS 52 2HB LYS 52 3.963 12.248 12.248 373 1HG LYS 52 2HG LYS 52 6.415 12.044 12.044 374 2HG LYS 52 1HG LYS 52 6.407 13.460 13.460 375 1HD LYS 52 2HD LYS 52 5.630 14.890 14.890 376 2HD LYS 52 1HD LYS 52 5.481 13.472 13.472 377 1HE LYS 52 2HE LYS 52 7.543 14.687 14.687 378 2HE LYS 52 1HE LYS 52 7.916 13.077 13.077 379 1HZ LYS 52 2HZ LYS 52 7.976 15.576 15.576 380 2HZ LYS 52 1HZ LYS 52 9.291 14.781 14.781 381 3HZ LYS 52 3HZ LYS 52 8.364 14.077 14.077 382 H TYR 53 H TYR 53 5.597 10.590 10.590 383 HA TYR 53 HA TYR 53 5.689 8.021 8.021 384 1HB TYR 53 2HB TYR 53 7.085 8.890 8.890 385 2HB TYR 53 1HB TYR 53 6.879 7.264 7.264 386 HD1 TYR 53 HD2 TYR 53 5.045 10.069 10.069 387 HD2 TYR 53 HD1 TYR 53 4.985 5.923 5.923 388 HE1 TYR 53 HE2 TYR 53 3.150 9.646 9.646 389 HE2 TYR 53 HE1 TYR 53 3.288 5.456 5.456 390 HH TYR 53 HH TYR 53 2.251 6.306 6.306 391 H LYS 54 HN LYS 54 8.031 7.004 7.004 392 HA LYS 54 HA LYS 54 10.049 8.532 8.532 393 1HB LYS 54 2HB LYS 54 10.222 5.638 5.638 394 2HB LYS 54 1HB LYS 54 11.154 6.478 6.478 395 1HG LYS 54 2HG LYS 54 9.212 6.651 6.651 396 2HG LYS 54 1HG LYS 54 8.163 5.957 5.957 397 1HD LYS 54 2HD LYS 54 8.641 4.203 4.203 398 2HD LYS 54 1HD LYS 54 9.510 3.869 3.869 399 1HE LYS 54 1HE LYS 54 11.618 4.718 4.718 400 2HE LYS 54 2HE LYS 54 10.718 4.994 4.994 401 1HZ LYS 54 2HZ LYS 54 10.229 2.620 2.620 402 2HZ LYS 54 1HZ LYS 54 11.131 2.440 2.440 403 3HZ LYS 54 3HZ LYS 54 11.853 2.914 2.914 404 H ASP 55 HN ASP 55 12.317 7.669 7.669 405 HA ASP 55 HA ASP 55 12.698 8.907 8.907 406 1HB ASP 55 2HB ASP 55 14.292 9.151 9.151 407 2HB ASP 55 1HB ASP 55 14.600 7.401 7.401 408 H SER 56 H SER 56 12.383 5.501 5.501 409 HA SER 56 HA SER 56 14.092 4.299 4.299 410 1HB SER 56 2HB SER 56 12.699 2.297 2.297 411 2HB SER 56 1HB SER 56 13.594 3.242 3.242 412 HG SER 56 HG SER 56 11.519 3.044 3.044 413 H ILE 57 H ILE 57 10.638 4.126 4.126 414 HA ILE 57 HA ILE 57 9.857 3.277 3.277 415 HB ILE 57 HB ILE 57 8.637 3.383 3.383 416 1HG1 ILE 57 1HG1 ILE 57 6.318 3.860 3.860 417 2HG1 ILE 57 2HG1 ILE 57 7.161 4.300 4.300 418 1HG2 ILE 57 2HG2 ILE 57 8.975 5.728 5.728 419 2HG2 ILE 57 3HG2 ILE 57 7.855 6.196 6.196 420 3HG2 ILE 57 1HG2 ILE 57 7.288 5.214 5.214 421 1HD1 ILE 57 3HD1 ILE 57 7.307 1.592 1.592 422 2HD1 ILE 57 2HD1 ILE 57 6.307 1.994 1.994 423 3HD1 ILE 57 1HD1 ILE 57 8.070 1.997 1.997 424 H VAL 58 H VAL 58 10.298 6.667 6.667 425 HA VAL 58 HA VAL 58 9.407 7.942 7.942 426 HB VAL 58 HB VAL 58 11.365 8.715 8.715 427 1HG1 VAL 58 1HG2 VAL 58 10.514 10.395 10.395 428 2HG1 VAL 58 3HG2 VAL 58 11.265 11.040 11.040 429 3HG1 VAL 58 2HG2 VAL 58 12.174 9.932 9.932 430 1HG2 VAL 58 2HG1 VAL 58 8.816 8.603 8.603 431 2HG2 VAL 58 1HG1 VAL 58 9.585 10.166 10.166 432 3HG2 VAL 58 3HG1 VAL 58 8.687 9.933 9.933 433 H ALA 59 H ALA 59 12.731 6.847 6.847 434 HA ALA 59 HA ALA 59 13.942 7.610 7.610 435 1HB ALA 59 3HB ALA 59 14.715 5.422 5.422 436 2HB ALA 59 2HB ALA 59 15.760 6.068 6.068 437 3HB ALA 59 1HB ALA 59 15.230 7.118 7.118 438 H LEU 60 H LEU 60 12.427 4.528 4.528 439 HA LEU 60 HA LEU 60 12.997 3.008 3.008 440 1HB LEU 60 1HB LEU 60 11.823 2.363 2.363 441 2HB LEU 60 2HB LEU 60 10.352 2.992 2.992 442 HG LEU 60 HG LEU 60 11.683 0.385 0.385 443 1HD1 LEU 60 2HD1 LEU 60 9.464 0.717 0.717 444 2HD1 LEU 60 1HD1 LEU 60 8.889 1.407 1.407 445 3HD1 LEU 60 3HD1 LEU 60 9.399 -0.292 -0.292 446 1HD2 LEU 60 3HD2 LEU 60 10.631 1.675 1.675 447 2HD2 LEU 60 2HD2 LEU 60 12.306 1.148 1.148 448 3HD2 LEU 60 1HD2 LEU 60 10.998 -0.038 -0.038 449 H GLY 61 H GLY 61 10.167 5.169 5.169 450 1HA GLY 61 1HA GLY 61 8.937 4.956 4.956 451 2HA GLY 61 2HA GLY 61 8.774 6.293 6.293 452 H ALA 62 H ALA 62 11.176 7.417 7.417 453 HA ALA 62 HA ALA 62 11.384 9.083 9.083 454 1HB ALA 62 3HB ALA 62 12.194 9.632 9.632 455 2HB ALA 62 2HB ALA 62 13.529 8.473 8.473 456 3HB ALA 62 1HB ALA 62 13.432 9.911 9.911 457 H SER 63 H SER 63 12.939 5.942 5.942 458 HA SER 63 HA SER 63 14.886 6.214 6.214 459 1HB SER 63 1HB SER 63 13.658 3.662 3.662 460 2HB SER 63 2HB SER 63 15.172 3.829 3.829 461 HG SER 63 HG SER 63 14.610 5.041 5.041 462 H GLY 64 H GLY 64 11.556 6.305 6.305 463 1HA GLY 64 1HA GLY 64 10.416 6.552 6.552 464 2HA GLY 64 2HA GLY 64 11.640 5.614 5.614 465 H PHE 65 H PHE 65 9.982 4.794 4.794 466 HA PHE 65 HA PHE 65 9.033 2.266 2.266 467 1HB PHE 65 2HB PHE 65 10.613 1.931 1.931 468 2HB PHE 65 1HB PHE 65 9.691 2.982 2.982 469 HD1 PHE 65 HD2 PHE 65 9.416 -0.284 -0.284 470 HD2 PHE 65 HD1 PHE 65 7.985 2.186 2.186 471 HE1 PHE 65 HE2 PHE 65 8.124 -2.205 -2.205 472 HE2 PHE 65 HE1 PHE 65 6.757 0.250 0.250 473 HZ PHE 65 HZ PHE 65 6.880 -1.940 -1.940 474 H ALA 66 H ALA 66 7.029 2.377 2.377 475 HA ALA 66 HA ALA 66 4.916 3.766 3.766 476 1HB ALA 66 3HB ALA 66 4.922 2.658 2.658 477 2HB ALA 66 2HB ALA 66 3.556 3.454 3.454 478 3HB ALA 66 1HB ALA 66 5.031 4.376 4.376 479 H TRP 67 H TRP 67 3.499 2.509 2.509 480 HA TRP 67 HA TRP 67 4.118 -0.262 -0.262 481 1HB TRP 67 2HB TRP 67 1.839 1.566 1.566 482 2HB TRP 67 1HB TRP 67 1.777 -0.158 -0.158 483 HD1 TRP 67 HD1 TRP 67 2.863 2.946 2.946 484 HE1 TRP 67 HE1 TRP 67 4.172 2.424 2.424 485 HE3 TRP 67 HE3 TRP 67 3.822 -2.021 -2.021 486 HZ2 TRP 67 HZ2 TRP 67 5.464 0.190 0.190 487 HZ3 TRP 67 HZ3 TRP 67 5.274 -3.263 -3.263 488 HH2 TRP 67 HH2 TRP 67 6.199 -2.121 -2.121 489 H THR 68 H THR 68 2.855 -2.034 -2.034 490 HA THR 68 HA THR 68 0.757 -1.899 -1.899 491 HB THR 68 HB THR 68 1.591 -3.935 -3.935 492 HG1 THR 68 HG1 THR 68 4.021 -3.885 -3.885 493 1HG2 THR 68 1HG2 THR 68 2.492 -1.821 -1.821 494 2HG2 THR 68 2HG2 THR 68 3.903 -1.961 -1.961 495 3HG2 THR 68 3HG2 THR 68 3.621 -3.183 -3.183 496 H GLU 69 HN GLU 69 -0.672 -3.838 -3.838 497 HA GLU 69 HA GLU 69 -1.346 -4.447 -4.447 498 1HB GLU 69 2HB GLU 69 -2.874 -6.072 -6.072 499 2HB GLU 69 1HB GLU 69 -2.820 -4.576 -4.576 500 1HG GLU 69 1HG GLU 69 -1.339 -5.694 -5.694 501 2HG GLU 69 2HG GLU 69 -1.519 -7.207 -7.207 502 H GLU 70 HN GLU 70 0.712 -6.075 -6.075 503 HA GLU 70 HA GLU 70 1.228 -8.488 -8.488 504 1HB GLU 70 2HB GLU 70 3.020 -7.031 -7.031 505 2HB GLU 70 1HB GLU 70 3.171 -8.715 -8.715 506 1HG GLU 70 1HG GLU 70 0.878 -9.171 -9.171 507 2HG GLU 70 2HG GLU 70 0.808 -7.515 -7.515 508 H ASP 71 HN ASP 71 3.105 -5.406 -5.406 509 HA ASP 71 HA ASP 71 5.110 -6.200 -6.200 510 1HB ASP 71 1HB ASP 71 4.116 -3.485 -3.485 511 2HB ASP 71 2HB ASP 71 5.468 -3.719 -3.719 512 H ILE 72 H ILE 72 2.007 -4.407 -4.407 513 HA ILE 72 HA ILE 72 2.346 -3.919 -3.919 514 HB ILE 72 HB ILE 72 -0.153 -4.393 -4.393 515 1HG1 ILE 72 2HG1 ILE 72 0.959 -1.790 -1.790 516 2HG1 ILE 72 1HG1 ILE 72 1.310 -2.351 -2.351 517 1HG2 ILE 72 3HG2 ILE 72 0.081 -3.456 -3.456 518 2HG2 ILE 72 1HG2 ILE 72 -1.394 -3.329 -3.329 519 3HG2 ILE 72 2HG2 ILE 72 -0.751 -4.912 -4.912 520 1HD1 ILE 72 3HD1 ILE 72 -1.276 -2.537 -2.537 521 2HD1 ILE 72 1HD1 ILE 72 -1.351 -1.451 -1.451 522 3HD1 ILE 72 2HD1 ILE 72 -0.510 -0.949 -0.949 523 H ALA 73 H ALA 73 0.727 -6.658 -6.658 524 HA ALA 73 HA ALA 73 0.004 -8.181 -8.181 525 1HB ALA 73 3HB ALA 73 -0.692 -8.686 -8.686 526 2HB ALA 73 2HB ALA 73 0.961 -9.183 -9.183 527 3HB ALA 73 1HB ALA 73 0.028 -10.108 -10.108 528 H THR 74 H THR 74 3.115 -8.180 -8.180 529 HA THR 74 HA THR 74 4.377 -10.183 -10.183 530 HB THR 74 HB THR 74 5.726 -7.881 -7.881 531 HG1 THR 74 HG1 THR 74 4.323 -8.946 -8.946 532 1HG2 THR 74 1HG2 THR 74 7.215 -9.284 -9.284 533 2HG2 THR 74 3HG2 THR 74 6.629 -10.733 -10.733 534 3HG2 THR 74 2HG2 THR 74 7.555 -9.509 -9.509 535 H TYR 75 H TYR 75 4.572 -6.596 -6.596 536 HA TYR 75 HA TYR 75 6.249 -6.319 -6.319 537 1HB TYR 75 1HB TYR 75 5.641 -4.483 -4.483 538 2HB TYR 75 2HB TYR 75 3.936 -4.651 -4.651 539 HD1 TYR 75 HD1 TYR 75 6.802 -4.617 -4.617 540 HD2 TYR 75 HD2 TYR 75 3.407 -2.531 -2.531 541 HE1 TYR 75 HE1 TYR 75 7.120 -2.779 -2.779 542 HE2 TYR 75 HE2 TYR 75 3.822 -0.666 -0.666 543 HH TYR 75 HH TYR 75 5.004 0.102 0.102 544 H VAL 76 H VAL 76 2.624 -6.593 -6.593 545 HA VAL 76 HA VAL 76 2.665 -6.320 -6.320 546 HB VAL 76 HB VAL 76 0.544 -7.531 -7.531 547 1HG1 VAL 76 1HG1 VAL 76 0.614 -5.069 -5.069 548 2HG1 VAL 76 2HG1 VAL 76 0.776 -5.187 -5.187 549 3HG1 VAL 76 3HG1 VAL 76 -0.722 -5.700 -5.700 550 1HG2 VAL 76 2HG2 VAL 76 0.784 -8.992 -8.992 551 2HG2 VAL 76 1HG2 VAL 76 -0.679 -7.991 -7.991 552 3HG2 VAL 76 3HG2 VAL 76 0.699 -7.572 -7.572 553 H LYS 77 HN LYS 77 3.444 -9.095 -9.095 554 HA LYS 77 HA LYS 77 3.523 -10.942 -10.942 555 1HB LYS 77 2HB LYS 77 4.494 -11.325 -11.325 556 2HB LYS 77 1HB LYS 77 4.408 -12.559 -12.559 557 1HG LYS 77 1HG LYS 77 1.934 -12.156 -12.156 558 2HG LYS 77 2HG LYS 77 2.040 -11.128 -11.128 559 1HD LYS 77 1HD LYS 77 2.851 -14.071 -14.071 560 2HD LYS 77 2HD LYS 77 1.339 -13.479 -13.479 561 1HE LYS 77 1HE LYS 77 4.130 -12.862 -12.862 562 2HE LYS 77 2HE LYS 77 3.037 -14.096 -14.096 563 1HZ LYS 77 2HZ LYS 77 2.446 -11.228 -11.228 564 2HZ LYS 77 3HZ LYS 77 2.900 -12.078 -12.078 565 3HZ LYS 77 1HZ LYS 77 1.457 -12.400 -12.400 566 H ASP 78 HN ASP 78 5.560 -8.516 -8.516 567 HA ASP 78 HA ASP 78 8.016 -9.593 -9.593 568 1HB ASP 78 1HB ASP 78 7.741 -8.630 -8.630 569 2HB ASP 78 2HB ASP 78 9.283 -8.873 -8.873 570 HA PRO 79 HA PRO 79 7.084 -4.977 -4.977 571 1HB PRO 79 2HB PRO 79 7.086 -4.960 -4.960 572 2HB PRO 79 1HB PRO 79 5.638 -5.180 -5.180 573 1HG PRO 79 1HG PRO 79 7.395 -7.341 -7.341 574 2HG PRO 79 2HG PRO 79 5.619 -7.195 -7.195 575 1HD PRO 79 1HD PRO 79 6.712 -8.825 -8.825 576 2HD PRO 79 2HD PRO 79 5.375 -7.737 -7.737 577 H GLY 80 H GLY 80 8.785 -3.610 -3.610 578 1HA GLY 80 1HA GLY 80 10.965 -2.870 -2.870 579 2HA GLY 80 2HA GLY 80 11.194 -4.256 -4.256 580 H ALA 81 H ALA 81 11.157 -6.420 -6.420 581 HA ALA 81 HA ALA 81 13.490 -6.779 -6.779 582 1HB ALA 81 3HB ALA 81 10.909 -8.383 -8.383 583 2HB ALA 81 1HB ALA 81 12.487 -8.939 -8.939 584 3HB ALA 81 2HB ALA 81 12.256 -8.607 -8.607 585 H PHE 82 H PHE 82 10.193 -6.260 -6.260 586 HA PHE 82 HA PHE 82 10.819 -6.428 -6.428 587 1HB PHE 82 2HB PHE 82 8.563 -6.287 -6.287 588 2HB PHE 82 1HB PHE 82 8.831 -4.597 -4.597 589 HD1 PHE 82 HD2 PHE 82 9.019 -2.869 -2.869 590 HD2 PHE 82 HD1 PHE 82 8.027 -6.986 -6.986 591 HE1 PHE 82 HE2 PHE 82 8.561 -2.289 -2.289 592 HE2 PHE 82 HE1 PHE 82 7.454 -6.359 -6.359 593 HZ PHE 82 HZ PHE 82 7.858 -4.048 -4.048 594 H LEU 83 H LEU 83 10.913 -3.416 -3.416 595 HA LEU 83 HA LEU 83 11.723 -1.645 -1.645 596 1HB LEU 83 2HB LEU 83 12.164 -1.656 -1.656 597 2HB LEU 83 1HB LEU 83 12.517 -0.369 -0.369 598 HG LEU 83 HG LEU 83 10.051 -0.395 -0.395 599 1HD1 LEU 83 2HD2 LEU 83 9.871 -1.838 -1.838 600 2HD1 LEU 83 3HD2 LEU 83 8.539 -0.963 -0.963 601 3HD1 LEU 83 1HD2 LEU 83 9.227 -2.385 -2.385 602 1HD2 LEU 83 1HD1 LEU 83 11.066 0.440 0.440 603 2HD2 LEU 83 2HD1 LEU 83 11.227 1.396 1.396 604 3HD2 LEU 83 3HD1 LEU 83 9.629 1.134 1.134 605 H LYS 84 HN LYS 84 13.465 -3.461 -3.461 606 HA LYS 84 HA LYS 84 16.032 -2.517 -2.517 607 1HB LYS 84 2HB LYS 84 15.151 -5.226 -5.226 608 2HB LYS 84 1HB LYS 84 16.802 -4.592 -4.592 609 1HG LYS 84 1HG LYS 84 16.110 -2.753 -2.753 610 2HG LYS 84 2HG LYS 84 14.400 -3.100 -3.100 611 1HD LYS 84 2HD LYS 84 14.743 -5.341 -5.341 612 2HD LYS 84 1HD LYS 84 16.402 -4.841 -4.841 613 1HE LYS 84 2HE LYS 84 13.824 -3.499 -3.499 614 2HE LYS 84 1HE LYS 84 14.928 -4.478 -4.478 615 1HZ LYS 84 3HZ LYS 84 16.626 -2.806 -2.806 616 2HZ LYS 84 2HZ LYS 84 15.531 -1.898 -1.898 617 3HZ LYS 84 1HZ LYS 84 15.316 -2.177 -2.177 618 H GLU 85 HN GLU 85 14.360 -5.310 -5.310 619 HA GLU 85 HA GLU 85 16.476 -6.123 -6.123 620 1HB GLU 85 2HB GLU 85 14.567 -7.546 -7.546 621 2HB GLU 85 1HB GLU 85 13.446 -6.443 -6.443 622 1HG GLU 85 2HG GLU 85 14.583 -6.880 -6.880 623 2HG GLU 85 1HG GLU 85 15.708 -7.966 -7.966 624 H LYS 86 HN LYS 86 13.458 -4.332 -4.332 625 HA LYS 86 HA LYS 86 14.317 -3.819 -3.819 626 1HB LYS 86 2HB LYS 86 12.405 -2.181 -2.181 627 2HB LYS 86 1HB LYS 86 12.544 -2.106 -2.106 628 1HG LYS 86 1HG LYS 86 11.618 -4.510 -4.510 629 2HG LYS 86 2HG LYS 86 10.641 -3.439 -3.439 630 1HD LYS 86 1HD LYS 86 11.981 -4.178 -4.178 631 2HD LYS 86 2HD LYS 86 12.771 -5.388 -5.388 632 1HE LYS 86 1HE LYS 86 9.780 -5.204 -5.204 633 2HE LYS 86 2HE LYS 86 10.911 -6.385 -6.385 634 1HZ LYS 86 3HZ LYS 86 11.313 -7.185 -7.185 635 2HZ LYS 86 2HZ LYS 86 10.233 -6.099 -6.099 636 3HZ LYS 86 1HZ LYS 86 9.718 -7.290 -7.290 637 H LEU 87 H LEU 87 14.849 -1.759 -1.759 638 HA LEU 87 HA LEU 87 16.186 0.263 0.263 639 1HB LEU 87 2HB LEU 87 14.644 0.810 0.810 640 2HB LEU 87 1HB LEU 87 15.788 0.056 0.056 641 HG LEU 87 HG LEU 87 17.455 1.796 1.796 642 1HD1 LEU 87 1HD1 LEU 87 15.373 2.909 2.909 643 2HD1 LEU 87 3HD1 LEU 87 16.792 3.802 3.802 644 3HD1 LEU 87 2HD1 LEU 87 17.012 2.356 2.356 645 1HD2 LEU 87 3HD2 LEU 87 15.746 2.134 2.134 646 2HD2 LEU 87 2HD2 LEU 87 16.294 3.652 3.652 647 3HD2 LEU 87 1HD2 LEU 87 14.714 2.971 2.971 648 H ASP 88 HN ASP 88 17.153 -2.711 -2.711 649 HA ASP 88 HA ASP 88 19.022 -3.653 -3.653 650 1HB ASP 88 1HB ASP 88 19.595 -3.238 -3.238 651 2HB ASP 88 2HB ASP 88 20.299 -1.675 -1.675 652 H ASP 89 HN ASP 89 18.069 -2.001 -2.001 653 HA ASP 89 HA ASP 89 20.469 -0.790 -0.790 654 1HB ASP 89 1HB ASP 89 19.321 1.020 1.020 655 2HB ASP 89 2HB ASP 89 17.755 0.497 0.497 656 H LYS 90 HN LYS 90 20.847 -1.988 -1.988 657 HA LYS 90 HA LYS 90 19.235 -3.735 -3.735 658 1HB LYS 90 1HB LYS 90 21.870 -2.209 -2.209 659 2HB LYS 90 2HB LYS 90 21.272 -3.214 -3.214 660 1HG LYS 90 1HG LYS 90 22.829 -4.502 -4.502 661 2HG LYS 90 2HG LYS 90 21.212 -5.193 -5.193 662 1HD LYS 90 1HD LYS 90 22.170 -5.338 -5.338 663 2HD LYS 90 2HD LYS 90 20.874 -4.165 -4.165 664 1HE LYS 90 1HE LYS 90 22.728 -2.340 -2.340 665 2HE LYS 90 2HE LYS 90 23.889 -3.665 -3.665 666 1HZ LYS 90 1HZ LYS 90 22.895 -4.199 -4.199 667 2HZ LYS 90 2HZ LYS 90 21.921 -2.875 -2.875 668 3HZ LYS 90 3HZ LYS 90 23.547 -2.690 -2.690 669 H LYS 91 HN LYS 91 19.602 -0.203 -0.203 670 HA LYS 91 HA LYS 91 18.301 -0.239 -0.239 671 1HB LYS 91 1HB LYS 91 19.521 2.074 2.074 672 2HB LYS 91 2HB LYS 91 18.978 2.111 2.111 673 1HG LYS 91 2HG LYS 91 20.705 0.407 0.407 674 2HG LYS 91 1HG LYS 91 21.287 0.438 0.438 675 1HD LYS 91 2HD LYS 91 21.757 2.865 2.865 676 2HD LYS 91 1HD LYS 91 21.216 2.833 2.833 677 1HE LYS 91 2HE LYS 91 23.012 1.201 1.201 678 2HE LYS 91 1HE LYS 91 23.544 1.214 1.214 679 1HZ LYS 91 3HZ LYS 91 24.031 3.536 3.536 680 2HZ LYS 91 2HZ LYS 91 23.538 3.528 3.528 681 3HZ LYS 91 1HZ LYS 91 24.860 2.655 2.655 682 H ALA 92 H ALA 92 17.085 -0.483 -0.483 683 HA ALA 92 HA ALA 92 15.163 1.696 1.696 684 1HB ALA 92 3HB ALA 92 15.963 0.641 0.641 685 2HB ALA 92 1HB ALA 92 15.029 -0.811 -0.811 686 3HB ALA 92 2HB ALA 92 14.207 0.744 0.744 687 H LYS 93 HN LYS 93 14.508 1.281 1.281 688 HA LYS 93 HA LYS 93 12.794 -1.082 -1.082 689 1HB LYS 93 1HB LYS 93 14.465 -0.438 -0.438 690 2HB LYS 93 2HB LYS 93 13.694 1.144 1.144 691 1HG LYS 93 2HG LYS 93 13.002 -0.221 -0.221 692 2HG LYS 93 1HG LYS 93 11.602 0.031 0.031 693 1HD LYS 93 1HD LYS 93 12.031 -2.304 -2.304 694 2HD LYS 93 2HD LYS 93 13.362 -2.461 -2.461 695 1HE LYS 93 1HE LYS 93 11.470 -3.573 -3.573 696 2HE LYS 93 2HE LYS 93 11.661 -2.064 -2.064 697 1HZ LYS 93 3HZ LYS 93 9.912 -1.134 -1.134 698 2HZ LYS 93 2HZ LYS 93 9.740 -2.593 -2.593 699 3HZ LYS 93 1HZ LYS 93 9.396 -2.437 -2.437 700 H THR 94 H THR 94 10.612 -0.999 -0.999 701 HA THR 94 HA THR 94 9.264 1.526 1.526 702 HB THR 94 HB THR 94 8.623 -0.490 -0.490 703 HG1 THR 94 HG1 THR 94 6.487 -0.183 -0.183 704 1HG2 THR 94 2HG2 THR 94 9.047 -2.231 -2.231 705 2HG2 THR 94 1HG2 THR 94 7.668 -1.612 -1.612 706 3HG2 THR 94 3HG2 THR 94 7.414 -2.342 -2.342 707 H GLY 95 H GLY 95 7.354 2.191 2.191 708 1HA GLY 95 1HA GLY 95 7.494 2.062 2.062 709 2HA GLY 95 2HA GLY 95 6.293 2.909 2.909 710 H MET 96 H MET 96 5.933 0.334 0.334 711 HA MET 96 HA MET 96 3.709 -0.639 -0.639 712 1HB MET 96 1HB MET 96 3.884 -0.526 -0.526 713 2HB MET 96 2HB MET 96 4.969 -1.902 -1.902 714 1HG MET 96 1HG MET 96 3.333 -3.375 -3.375 715 2HG MET 96 2HG MET 96 2.354 -2.109 -2.109 716 1HE MET 96 3HE MET 96 3.661 -2.612 -2.612 717 2HE MET 96 2HE MET 96 3.096 -4.209 -4.209 718 3HE MET 96 1HE MET 96 2.186 -3.320 -3.320 719 H ALA 97 H ALA 97 4.812 -1.240 -1.240 720 HA ALA 97 HA ALA 97 6.266 -3.770 -3.770 721 1HB ALA 97 3HB ALA 97 6.585 -2.013 -2.013 722 2HB ALA 97 1HB ALA 97 4.887 -2.168 -2.168 723 3HB ALA 97 2HB ALA 97 6.014 -3.521 -3.521 724 H PHE 98 H PHE 98 4.330 -4.507 -4.507 725 HA PHE 98 HA PHE 98 2.669 -6.389 -6.389 726 1HB PHE 98 1HB PHE 98 1.070 -4.675 -4.675 727 2HB PHE 98 2HB PHE 98 1.612 -3.848 -3.848 728 HD1 PHE 98 HD2 PHE 98 0.941 -4.502 -4.502 729 HD2 PHE 98 HD1 PHE 98 -0.532 -6.627 -6.627 730 HE1 PHE 98 HE2 PHE 98 -0.648 -5.695 -5.695 731 HE2 PHE 98 HE1 PHE 98 -2.184 -7.784 -7.784 732 HZ PHE 98 HZ PHE 98 -2.291 -7.297 -7.297 733 H LYS 99 HN LYS 99 1.872 -7.999 -7.999 734 HA LYS 99 HA LYS 99 2.417 -7.655 -7.655 735 1HB LYS 99 2HB LYS 99 3.210 -10.270 -10.270 736 2HB LYS 99 1HB LYS 99 4.274 -8.935 -8.935 737 1HG LYS 99 1HG LYS 99 4.737 -8.670 -8.670 738 2HG LYS 99 2HG LYS 99 3.740 -10.122 -10.122 739 1HD LYS 99 2HD LYS 99 5.241 -11.332 -11.332 740 2HD LYS 99 1HD LYS 99 6.267 -9.903 -9.903 741 1HE LYS 99 1HE LYS 99 5.671 -11.568 -11.568 742 2HE LYS 99 2HE LYS 99 7.161 -11.627 -11.627 743 1HZ LYS 99 2HZ LYS 99 7.534 -9.329 -9.329 744 2HZ LYS 99 1HZ LYS 99 6.165 -9.285 -9.285 745 3HZ LYS 99 3HZ LYS 99 7.422 -10.250 -10.250 746 H LEU 100 H LEU 100 1.303 -9.331 -9.331 747 HA LEU 100 HA LEU 100 -1.052 -10.484 -10.484 748 1HB LEU 100 1HB LEU 100 -1.597 -8.653 -8.653 749 2HB LEU 100 2HB LEU 100 -0.727 -9.443 -9.443 750 HG LEU 100 HG LEU 100 -2.270 -11.215 -11.215 751 1HD1 LEU 100 3HD2 LEU 100 -3.544 -10.232 -10.232 752 2HD1 LEU 100 1HD2 LEU 100 -4.263 -11.441 -11.441 753 3HD1 LEU 100 2HD2 LEU 100 -2.752 -11.807 -11.807 754 1HD2 LEU 100 3HD1 LEU 100 -3.022 -8.996 -8.996 755 2HD2 LEU 100 2HD1 LEU 100 -4.370 -10.081 -10.081 756 3HD2 LEU 100 1HD1 LEU 100 -3.948 -8.752 -8.752 757 H ALA 101 H ALA 101 -0.403 -12.537 -12.537 758 HA ALA 101 HA ALA 101 1.477 -13.962 -13.962 759 1HB ALA 101 1HB ALA 101 1.492 -14.200 -14.200 760 2HB ALA 101 2HB ALA 101 -0.168 -14.837 -14.837 761 3HB ALA 101 3HB ALA 101 1.156 -15.754 -15.754 762 H LYS 102 HN LYS 102 -0.117 -13.354 -13.354 763 HA LYS 102 HA LYS 102 -0.928 -14.359 -14.359 764 1HB LYS 102 2HB LYS 102 -2.248 -16.535 -16.535 765 2HB LYS 102 1HB LYS 102 -2.299 -16.382 -16.382 766 1HG LYS 102 1HG LYS 102 0.171 -16.963 -16.963 767 2HG LYS 102 2HG LYS 102 -0.694 -18.080 -18.080 768 1HD LYS 102 2HD LYS 102 0.939 -15.658 -15.658 769 2HD LYS 102 1HD LYS 102 1.350 -17.358 -17.358 770 1HE LYS 102 1HE LYS 102 -0.641 -17.658 -17.658 771 2HE LYS 102 2HE LYS 102 -0.990 -15.925 -15.925 772 1HZ LYS 102 3HZ LYS 102 1.158 -15.480 -15.480 773 2HZ LYS 102 2HZ LYS 102 1.436 -17.095 -17.095 774 3HZ LYS 102 1HZ LYS 102 0.205 -16.356 -16.356 775 H GLY 103 H GLY 103 -2.777 -13.735 -13.735 776 1HA GLY 103 1HA GLY 103 -5.183 -13.157 -13.157 777 2HA GLY 103 2HA GLY 103 -4.836 -12.349 -12.349 778 H GLY 104 H GLY 104 -2.110 -11.547 -11.547 779 1HA GLY 104 1HA GLY 104 -2.511 -8.947 -8.947 780 2HA GLY 104 2HA GLY 104 -1.103 -9.921 -9.921 781 H GLU 105 HN GLU 105 -2.429 -11.758 -11.758 782 HA GLU 105 HA GLU 105 -2.541 -10.302 -10.302 783 1HB GLU 105 1HB GLU 105 -3.542 -12.461 -12.461 784 2HB GLU 105 2HB GLU 105 -1.915 -12.546 -12.546 785 1HG GLU 105 2HG GLU 105 -4.300 -13.290 -13.290 786 2HG GLU 105 1HG GLU 105 -3.681 -14.393 -14.393 787 H ASP 106 HN ASP 106 -5.043 -11.545 -11.545 788 HA ASP 106 HA ASP 106 -7.338 -10.939 -10.939 789 1HB ASP 106 1HB ASP 106 -7.037 -12.549 -12.549 790 2HB ASP 106 2HB ASP 106 -7.250 -11.122 -11.122 791 H VAL 107 H VAL 107 -5.747 -9.285 -9.285 792 HA VAL 107 HA VAL 107 -7.445 -6.982 -6.982 793 HB VAL 107 HB VAL 107 -4.579 -7.302 -7.302 794 1HG1 VAL 107 2HG1 VAL 107 -6.667 -5.122 -5.122 795 2HG1 VAL 107 1HG1 VAL 107 -5.261 -5.338 -5.338 796 3HG1 VAL 107 3HG1 VAL 107 -5.024 -4.927 -4.927 797 1HG2 VAL 107 2HG2 VAL 107 -6.223 -8.816 -8.816 798 2HG2 VAL 107 3HG2 VAL 107 -5.668 -7.556 -7.556 799 3HG2 VAL 107 1HG2 VAL 107 -7.266 -7.421 -7.421 800 H ALA 108 H ALA 108 -4.292 -7.625 -7.625 801 HA ALA 108 HA ALA 108 -3.957 -5.065 -5.065 802 1HB ALA 108 1HB ALA 108 -2.175 -6.743 -6.743 803 2HB ALA 108 2HB ALA 108 -3.047 -7.768 -7.768 804 3HB ALA 108 3HB ALA 108 -2.446 -6.168 -6.168 805 H ALA 109 H ALA 109 -5.648 -7.991 -7.991 806 HA ALA 109 HA ALA 109 -6.449 -6.837 -6.837 807 1HB ALA 109 3HB ALA 109 -6.638 -9.225 -9.225 808 2HB ALA 109 1HB ALA 109 -7.898 -8.911 -8.911 809 3HB ALA 109 2HB ALA 109 -8.206 -8.555 -8.555 810 H TYR 110 H TYR 110 -8.059 -6.808 -6.808 811 HA TYR 110 HA TYR 110 -10.322 -5.307 -5.307 812 1HB TYR 110 2HB TYR 110 -10.363 -6.333 -6.333 813 2HB TYR 110 1HB TYR 110 -8.877 -5.567 -5.567 814 HD1 TYR 110 HD1 TYR 110 -12.075 -4.198 -4.198 815 HD2 TYR 110 HD2 TYR 110 -9.354 -4.257 -4.257 816 HE1 TYR 110 HE1 TYR 110 -13.382 -2.412 -2.412 817 HE2 TYR 110 HE2 TYR 110 -10.716 -2.535 -2.535 818 HH TYR 110 HH TYR 110 -12.606 -1.223 -1.223 819 H LEU 111 H LEU 111 -7.144 -4.083 -4.083 820 HA LEU 111 HA LEU 111 -7.787 -1.340 -1.340 821 1HB LEU 111 1HB LEU 111 -5.100 -2.733 -2.733 822 2HB LEU 111 2HB LEU 111 -5.311 -0.980 -0.980 823 HG LEU 111 HG LEU 111 -6.230 -2.891 -2.891 824 1HD1 LEU 111 3HD2 LEU 111 -3.779 -2.794 -2.794 825 2HD1 LEU 111 1HD2 LEU 111 -3.831 -1.018 -1.018 826 3HD1 LEU 111 2HD2 LEU 111 -4.331 -1.986 -1.986 827 1HD2 LEU 111 3HD1 LEU 111 -6.188 0.154 0.154 828 2HD2 LEU 111 2HD1 LEU 111 -7.611 -0.887 -0.887 829 3HD2 LEU 111 1HD1 LEU 111 -6.398 -0.759 -0.759 830 H ALA 112 H ALA 112 -6.333 -3.592 -3.592 831 HA ALA 112 HA ALA 112 -6.056 -1.774 -1.774 832 1HB ALA 112 1HB ALA 112 -5.115 -4.063 -4.063 833 2HB ALA 112 3HB ALA 112 -6.744 -4.733 -4.733 834 3HB ALA 112 2HB ALA 112 -6.020 -3.728 -3.728 835 H SER 113 H SER 113 -8.921 -3.549 -3.549 836 HA SER 113 HA SER 113 -10.619 -2.793 -2.793 837 1HB SER 113 1HB SER 113 -11.463 -3.643 -3.643 838 2HB SER 113 2HB SER 113 -12.420 -3.685 -3.685 839 HG SER 113 HG SER 113 -10.014 -5.158 -5.158 840 H VAL 114 H VAL 114 -9.873 -1.395 -1.395 841 HA VAL 114 HA VAL 114 -11.963 0.526 0.526 842 HB VAL 114 HB VAL 114 -9.399 0.003 0.003 843 1HG1 VAL 114 3HG2 VAL 114 -11.315 2.276 2.276 844 2HG1 VAL 114 2HG2 VAL 114 -10.094 1.695 1.695 845 3HG1 VAL 114 1HG2 VAL 114 -9.565 2.385 2.385 846 1HG2 VAL 114 2HG1 VAL 114 -11.457 -1.436 -1.436 847 2HG2 VAL 114 3HG1 VAL 114 -10.909 -0.572 -0.572 848 3HG2 VAL 114 1HG1 VAL 114 -12.315 0.016 0.016 849 H VAL 115 H VAL 115 -8.455 0.827 0.827 850 HA VAL 115 HA VAL 115 -8.371 3.534 3.534 851 HB VAL 115 HB VAL 115 -6.397 2.252 2.252 852 1HG1 VAL 115 1HG2 VAL 115 -7.184 1.195 1.195 853 2HG1 VAL 115 2HG2 VAL 115 -5.609 1.003 1.003 854 3HG1 VAL 115 3HG2 VAL 115 -7.049 0.290 0.290 855 1HG2 VAL 115 3HG1 VAL 115 -6.463 4.523 4.523 856 2HG2 VAL 115 2HG1 VAL 115 -5.162 3.448 3.448 857 3HG2 VAL 115 1HG1 VAL 115 -6.607 3.666 3.666 858 H LYS 116 HN LYS 116 -9.376 4.870 4.870 859 HA LYS 116 HA LYS 116 -9.713 5.122 5.122 860 1HB LYS 116 2HB LYS 116 -12.141 5.275 5.275 861 2HB LYS 116 1HB LYS 116 -11.654 3.661 3.661 862 1HG LYS 116 2HG LYS 116 -12.052 4.542 4.542 863 2HG LYS 116 1HG LYS 116 -12.805 5.924 5.924 864 1HD LYS 116 2HD LYS 116 -14.666 4.636 4.636 865 2HD LYS 116 1HD LYS 116 -14.227 4.045 4.045 866 1HE LYS 116 2HE LYS 116 -13.580 2.755 2.755 867 2HE LYS 116 1HE LYS 116 -14.776 2.178 2.178 868 1HZ LYS 116 3HZ LYS 116 -12.941 1.812 1.812 869 2HZ LYS 116 1HZ LYS 116 -11.872 2.281 2.281 870 3HZ LYS 116 2HZ LYS 116 -12.769 0.925 0.925 871 HHA HEC 117 HHA HEM 117 2.905 2.674 2.674 872 HHB HEC 117 HHB HEM 117 -0.989 -1.639 -1.639 873 HHC HEC 117 HHC HEM 117 -2.472 -3.657 -3.657 874 HHD HEC 117 HHD HEM 117 1.502 0.758 0.758 875 1HMA HEC 117 1HMA HEM 117 -0.010 -0.275 -0.275 876 2HMA HEC 117 2HMA HEM 117 1.703 0.098 0.098 877 3HMA HEC 117 3HMA HEM 117 1.242 -1.511 -1.511 878 1HAA HEC 117 1HAA HEM 117 3.346 1.302 1.302 879 2HAA HEC 117 2HAA HEM 117 3.597 2.313 2.313 880 1HBA HEC 117 1HBA HEM 117 1.509 3.592 3.592 881 2HBA HEC 117 2HBA HEM 117 1.382 2.605 2.605 882 1HMB HEC 117 1HMB HEM 117 -2.663 -2.914 -2.914 883 2HMB HEC 117 2HMB HEM 117 -2.721 -4.566 -4.566 884 3HMB HEC 117 3HMB HEM 117 -4.053 -3.430 -3.430 885 HAB HEC 117 HAB HEM 117 -3.603 -4.824 -4.824 886 1HBB HEC 117 1HBB HEM 117 -2.255 -6.336 -6.336 887 2HBB HEC 117 2HBB HEM 117 -3.961 -6.780 -6.780 888 3HBB HEC 117 3HBB HEM 117 -3.445 -6.052 -6.052 889 1HMC HEC 117 1HMC HEM 117 -2.293 -2.950 -2.950 890 2HMC HEC 117 2HMC HEM 117 -2.172 -4.083 -4.083 891 3HMC HEC 117 3HMC HEM 117 -3.342 -2.749 -2.749 892 HAC HEC 117 HAC HEM 117 -0.614 -1.797 -1.797 893 1HBC HEC 117 1HBC HEM 117 1.656 -0.678 -0.678 894 2HBC HEC 117 2HBC HEM 117 0.744 0.866 0.866 895 3HBC HEC 117 3HBC HEM 117 0.701 -0.339 -0.339 896 1HMD HEC 117 1HMD HEM 117 3.300 2.076 2.076 897 2HMD HEC 117 2HMD HEM 117 2.212 3.447 3.447 898 3HMD HEC 117 3HMD HEM 117 3.902 3.501 3.501 899 1HAD HEC 117 1HAD HEM 117 3.471 4.350 4.350 900 2HAD HEC 117 2HAD HEM 117 3.999 4.430 4.430 901 1HBD HEC 117 1HBD HEM 117 5.464 2.318 2.318 902 2HBD HEC 117 2HBD HEM 117 5.286 2.979 2.979 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -6.798 -13.745 -13.745 2 2H GLY 1 2H GLY 1 -6.731 -12.181 -12.181 3 1HA GLY 1 1HA GLY 1 -6.474 -12.920 -12.920 4 2HA GLY 1 2HA GLY 1 -6.381 -11.280 -11.280 5 H ASP 2 HN ASP 2 -8.404 -13.253 -13.253 6 HA ASP 2 HA ASP 2 -10.918 -12.780 -12.780 7 1HB ASP 2 2HB ASP 2 -10.398 -13.884 -13.884 8 2HB ASP 2 1HB ASP 2 -11.951 -13.857 -13.857 9 H ALA 3 H ALA 3 -10.622 -10.493 -10.493 10 HA ALA 3 HA ALA 3 -10.372 -8.525 -8.525 11 1HB ALA 3 2HB ALA 3 -10.993 -8.179 -8.179 12 2HB ALA 3 3HB ALA 3 -12.666 -8.677 -8.677 13 3HB ALA 3 1HB ALA 3 -12.013 -7.189 -7.189 14 H ALA 4 H ALA 4 -13.411 -10.442 -10.442 15 HA ALA 4 HA ALA 4 -14.851 -8.917 -8.917 16 1HB ALA 4 3HB ALA 4 -14.948 -11.914 -11.914 17 2HB ALA 4 1HB ALA 4 -16.160 -10.985 -10.985 18 3HB ALA 4 2HB ALA 4 -15.898 -10.652 -10.652 19 H LYS 5 HN LYS 5 -12.759 -11.832 -11.832 20 HA LYS 5 HA LYS 5 -12.869 -11.856 -11.856 21 1HB LYS 5 2HB LYS 5 -10.565 -12.821 -12.821 22 2HB LYS 5 1HB LYS 5 -11.034 -13.352 -13.352 23 1HG LYS 5 2HG LYS 5 -13.319 -13.987 -13.987 24 2HG LYS 5 1HG LYS 5 -12.484 -13.786 -13.786 25 1HD LYS 5 2HD LYS 5 -12.357 -16.089 -16.089 26 2HD LYS 5 1HD LYS 5 -10.737 -15.445 -15.445 27 1HE LYS 5 1HE LYS 5 -11.134 -15.513 -15.513 28 2HE LYS 5 2HE LYS 5 -12.798 -16.064 -16.064 29 1HZ LYS 5 1HZ LYS 5 -10.354 -17.496 -17.496 30 2HZ LYS 5 2HZ LYS 5 -11.322 -17.856 -17.856 31 3HZ LYS 5 3HZ LYS 5 -11.895 -18.022 -18.022 32 H GLY 6 H GLY 6 -10.807 -10.238 -10.238 33 1HA GLY 6 1HA GLY 6 -8.874 -9.039 -9.039 34 2HA GLY 6 2HA GLY 6 -9.529 -8.327 -8.327 35 H GLU 7 HN GLU 7 -12.072 -7.731 -7.731 36 HA GLU 7 HA GLU 7 -12.042 -5.367 -5.367 37 1HB GLU 7 2HB GLU 7 -13.629 -5.926 -5.926 38 2HB GLU 7 1HB GLU 7 -14.456 -7.064 -7.064 39 1HG GLU 7 2HG GLU 7 -15.021 -5.211 -5.211 40 2HG GLU 7 1HG GLU 7 -14.187 -4.067 -4.067 41 H LYS 8 HN LYS 8 -13.412 -8.604 -8.604 42 HA LYS 8 HA LYS 8 -14.372 -7.922 -7.922 43 1HB LYS 8 2HB LYS 8 -13.351 -10.580 -10.580 44 2HB LYS 8 1HB LYS 8 -14.187 -10.376 -10.376 45 1HG LYS 8 1HG LYS 8 -16.163 -9.463 -9.463 46 2HG LYS 8 2HG LYS 8 -15.370 -9.608 -9.608 47 1HD LYS 8 1HD LYS 8 -15.133 -12.081 -12.081 48 2HD LYS 8 2HD LYS 8 -16.064 -11.915 -11.915 49 1HE LYS 8 1HE LYS 8 -17.038 -11.215 -11.215 50 2HE LYS 8 2HE LYS 8 -17.470 -12.669 -12.669 51 1HZ LYS 8 3HZ LYS 8 -18.479 -11.255 -11.255 52 2HZ LYS 8 2HZ LYS 8 -18.108 -9.910 -9.910 53 3HZ LYS 8 1HZ LYS 8 -19.159 -11.023 -11.023 54 H GLU 9 HN GLU 9 -11.208 -9.343 -9.343 55 HA GLU 9 HA GLU 9 -10.030 -9.363 -9.363 56 1HB GLU 9 2HB GLU 9 -9.130 -10.480 -10.480 57 2HB GLU 9 1HB GLU 9 -8.715 -8.895 -8.895 58 1HG GLU 9 2HG GLU 9 -6.732 -9.922 -9.922 59 2HG GLU 9 1HG GLU 9 -7.143 -8.526 -8.526 60 H PHE 10 H PHE 10 -10.277 -6.771 -6.771 61 HA PHE 10 HA PHE 10 -8.646 -4.942 -4.942 62 1HB PHE 10 2HB PHE 10 -9.906 -4.835 -4.835 63 2HB PHE 10 1HB PHE 10 -11.129 -3.959 -3.959 64 HD1 PHE 10 HD1 PHE 10 -10.361 -1.828 -1.828 65 HD2 PHE 10 HD2 PHE 10 -7.898 -3.811 -3.811 66 HE1 PHE 10 HE1 PHE 10 -8.893 0.188 0.188 67 HE2 PHE 10 HE2 PHE 10 -6.519 -1.767 -1.767 68 HZ PHE 10 HZ PHE 10 -7.022 0.236 0.236 69 H ASN 11 H ASN 11 -11.897 -5.879 -5.879 70 HA ASN 11 HA ASN 11 -12.561 -3.677 -3.677 71 1HB ASN 11 1HB ASN 11 -13.958 -5.733 -5.733 72 2HB ASN 11 2HB ASN 11 -13.230 -6.562 -6.562 73 1HD2 ASN 11 2HD2 ASN 11 -14.978 -4.031 -4.031 74 2HD2 ASN 11 1HD2 ASN 11 -13.273 -4.327 -4.327 75 H LYS 12 HN LYS 12 -10.282 -6.360 -6.360 76 HA LYS 12 HA LYS 12 -9.815 -5.712 -5.712 77 1HB LYS 12 2HB LYS 12 -8.453 -7.758 -7.758 78 2HB LYS 12 1HB LYS 12 -8.386 -7.650 -7.650 79 1HG LYS 12 2HG LYS 12 -10.859 -8.382 -8.382 80 2HG LYS 12 1HG LYS 12 -9.761 -9.486 -9.486 81 1HD LYS 12 1HD LYS 12 -11.396 -9.436 -9.436 82 2HD LYS 12 2HD LYS 12 -10.369 -8.143 -8.143 83 1HE LYS 12 1HE LYS 12 -11.901 -6.460 -6.460 84 2HE LYS 12 2HE LYS 12 -12.850 -7.771 -7.771 85 1HZ LYS 12 3HZ LYS 12 -13.385 -8.501 -8.501 86 2HZ LYS 12 1HZ LYS 12 -12.491 -7.286 -7.286 87 3HZ LYS 12 2HZ LYS 12 -13.834 -6.931 -6.931 88 H CYS 13 H CYS 13 -8.196 -5.807 -5.807 89 HA CYS 13 HA CYS 13 -5.586 -4.907 -4.907 90 1HB CYS 13 1HB CYS 13 -6.818 -5.808 -5.808 91 2HB CYS 13 2HB CYS 13 -7.042 -4.060 -4.060 92 H LYS 14 HN LYS 14 -8.532 -2.918 -2.918 93 HA LYS 14 HA LYS 14 -7.222 -0.430 -0.430 94 1HB LYS 14 2HB LYS 14 -9.417 0.516 0.516 95 2HB LYS 14 1HB LYS 14 -9.400 -0.872 -0.872 96 1HG LYS 14 2HG LYS 14 -11.260 -1.518 -1.518 97 2HG LYS 14 1HG LYS 14 -10.156 -2.106 -2.106 98 1HD LYS 14 1HD LYS 14 -10.401 0.067 0.067 99 2HD LYS 14 2HD LYS 14 -11.489 0.642 0.642 100 1HE LYS 14 1HE LYS 14 -13.065 -1.216 -1.216 101 2HE LYS 14 2HE LYS 14 -11.980 -1.747 -1.747 102 1HZ LYS 14 1HZ LYS 14 -13.285 0.883 0.883 103 2HZ LYS 14 2HZ LYS 14 -13.748 -0.365 -0.365 104 3HZ LYS 14 3HZ LYS 14 -12.294 0.372 0.372 105 H THR 15 H THR 15 -7.120 -2.487 -2.487 106 HA THR 15 HA THR 15 -7.798 -0.864 -0.864 107 HB THR 15 HB THR 15 -5.589 -2.940 -2.940 108 HG1 THR 15 HG1 THR 15 -7.693 -3.730 -3.730 109 1HG2 THR 15 3HG2 THR 15 -6.746 -1.688 -1.688 110 2HG2 THR 15 2HG2 THR 15 -5.737 -3.147 -3.147 111 3HG2 THR 15 1HG2 THR 15 -5.055 -1.593 -1.593 112 H CYS 16 H CYS 16 -5.047 -0.712 -0.712 113 HA CYS 16 HA CYS 16 -3.890 1.586 1.586 114 1HB CYS 16 1HB CYS 16 -2.676 -0.224 -0.224 115 2HB CYS 16 2HB CYS 16 -1.873 1.183 1.183 116 H HIS 17 HN HIS 17 -5.173 0.633 0.633 117 HA HIS 17 HA HIS 17 -4.453 3.325 3.325 118 1HB HIS 17 2HB HIS 17 -5.100 0.701 0.701 119 2HB HIS 17 1HB HIS 17 -4.770 2.211 2.211 120 HD1 HIS 17 HD1 HIS 17 -2.591 2.923 2.923 121 HD2 HIS 17 HD2 HIS 17 -2.480 -0.315 -0.315 122 HE1 HIS 17 HE1 HIS 17 -0.292 1.920 1.920 123 H SER 18 H SER 18 -6.050 3.630 3.630 124 HA SER 18 HA SER 18 -8.862 3.022 3.022 125 1HB SER 18 1HB SER 18 -7.641 5.821 5.821 126 2HB SER 18 2HB SER 18 -9.362 5.541 5.541 127 HG SER 18 HG SER 18 -7.854 4.724 4.724 128 H ILE 19 H ILE 19 -10.214 4.104 4.104 129 HA ILE 19 HA ILE 19 -8.816 4.465 4.465 130 HB ILE 19 HB ILE 19 -10.667 2.198 2.198 131 1HG1 ILE 19 1HG1 ILE 19 -8.766 2.693 2.693 132 2HG1 ILE 19 2HG1 ILE 19 -8.237 2.089 2.089 133 1HG2 ILE 19 2HG2 ILE 19 -11.018 3.864 3.864 134 2HG2 ILE 19 3HG2 ILE 19 -11.659 2.225 2.225 135 3HG2 ILE 19 1HG2 ILE 19 -12.239 3.525 3.525 136 1HD1 ILE 19 3HD1 ILE 19 -9.869 0.173 0.173 137 2HD1 ILE 19 2HD1 ILE 19 -10.137 0.691 0.691 138 3HD1 ILE 19 1HD1 ILE 19 -8.527 0.186 0.186 139 H ILE 20 H ILE 20 -9.778 6.070 6.070 140 HA ILE 20 HA ILE 20 -11.973 7.566 7.566 141 HB ILE 20 HB ILE 20 -9.459 8.397 8.397 142 1HG1 ILE 20 2HG1 ILE 20 -10.398 10.844 10.844 143 2HG1 ILE 20 1HG1 ILE 20 -11.946 9.983 9.983 144 1HG2 ILE 20 3HG2 ILE 20 -8.976 8.182 8.182 145 2HG2 ILE 20 2HG2 ILE 20 -10.089 9.531 9.531 146 3HG2 ILE 20 1HG2 ILE 20 -8.644 9.772 9.772 147 1HD1 ILE 20 2HD1 ILE 20 -11.260 8.970 8.970 148 2HD1 ILE 20 1HD1 ILE 20 -9.849 10.037 10.037 149 3HD1 ILE 20 3HD1 ILE 20 -11.477 10.740 10.740 150 H ALA 21 H ALA 21 -13.532 8.481 8.481 151 HA ALA 21 HA ALA 21 -13.528 7.432 7.432 152 1HB ALA 21 3HB ALA 21 -15.669 7.748 7.748 153 2HB ALA 21 2HB ALA 21 -15.332 9.485 9.485 154 3HB ALA 21 1HB ALA 21 -15.589 8.740 8.740 155 HA PRO 22 HA PRO 22 -11.207 10.788 10.788 156 1HB PRO 22 2HB PRO 22 -13.603 11.167 11.167 157 2HB PRO 22 1HB PRO 22 -11.868 11.191 11.191 158 1HG PRO 22 2HG PRO 22 -13.307 8.936 8.936 159 2HG PRO 22 1HG PRO 22 -11.696 8.812 8.812 160 1HD PRO 22 2HD PRO 22 -14.409 8.739 8.739 161 2HD PRO 22 1HD PRO 22 -12.960 7.730 7.730 162 H ASP 23 HN ASP 23 -14.647 11.484 11.484 163 HA ASP 23 HA ASP 23 -14.393 14.344 14.344 164 1HB ASP 23 1HB ASP 23 -16.704 14.181 14.181 165 2HB ASP 23 2HB ASP 23 -16.508 13.312 13.312 166 H GLY 24 H GLY 24 -13.431 11.953 11.953 167 1HA GLY 24 1HA GLY 24 -12.207 12.639 12.639 168 2HA GLY 24 2HA GLY 24 -13.319 13.974 13.974 169 H THR 25 H THR 25 -15.547 11.672 11.672 170 HA THR 25 HA THR 25 -16.202 11.269 11.269 171 HB THR 25 HB THR 25 -17.082 9.600 9.600 172 HG1 THR 25 HG1 THR 25 -17.587 11.753 11.753 173 1HG2 THR 25 1HG2 THR 25 -18.365 10.050 10.050 174 2HG2 THR 25 2HG2 THR 25 -19.095 9.181 9.181 175 3HG2 THR 25 3HG2 THR 25 -17.659 8.519 8.519 176 H GLU 26 HN GLU 26 -15.374 9.971 9.971 177 HA GLU 26 HA GLU 26 -13.262 8.092 8.092 178 1HB GLU 26 2HB GLU 26 -14.850 8.567 8.567 179 2HB GLU 26 1HB GLU 26 -13.351 7.642 7.642 180 1HG GLU 26 2HG GLU 26 -12.172 9.696 9.696 181 2HG GLU 26 1HG GLU 26 -13.647 10.639 10.639 182 H ILE 27 H ILE 27 -14.503 6.789 6.789 183 HA ILE 27 HA ILE 27 -16.640 5.102 5.102 184 HB ILE 27 HB ILE 27 -14.240 4.405 4.405 185 1HG1 ILE 27 1HG1 ILE 27 -15.167 6.442 6.442 186 2HG1 ILE 27 2HG1 ILE 27 -15.616 5.145 5.145 187 1HG2 ILE 27 2HG2 ILE 27 -17.027 3.183 3.183 188 2HG2 ILE 27 3HG2 ILE 27 -15.852 2.894 2.894 189 3HG2 ILE 27 1HG2 ILE 27 -15.486 2.383 2.383 190 1HD1 ILE 27 3HD1 ILE 27 -17.903 5.082 5.082 191 2HD1 ILE 27 2HD1 ILE 27 -17.431 6.490 6.490 192 3HD1 ILE 27 1HD1 ILE 27 -17.520 6.622 6.622 193 H VAL 28 H VAL 28 -13.120 4.333 4.333 194 HA VAL 28 HA VAL 28 -14.034 2.330 2.330 195 HB VAL 28 HB VAL 28 -11.378 2.319 2.319 196 1HG1 VAL 28 3HG1 VAL 28 -12.708 0.414 0.414 197 2HG1 VAL 28 2HG1 VAL 28 -11.171 0.138 0.138 198 3HG1 VAL 28 1HG1 VAL 28 -11.309 1.458 1.458 199 1HG2 VAL 28 3HG2 VAL 28 -13.848 0.564 0.564 200 2HG2 VAL 28 2HG2 VAL 28 -13.170 1.645 1.645 201 3HG2 VAL 28 1HG2 VAL 28 -12.251 0.220 0.220 202 H LYS 29 HN LYS 29 -14.392 3.991 3.991 203 HA LYS 29 HA LYS 29 -12.356 5.913 5.913 204 1HB LYS 29 1HB LYS 29 -14.806 6.311 6.311 205 2HB LYS 29 2HB LYS 29 -14.911 5.076 5.076 206 1HG LYS 29 2HG LYS 29 -13.529 6.415 6.415 207 2HG LYS 29 1HG LYS 29 -13.086 7.514 7.514 208 1HD LYS 29 2HD LYS 29 -14.718 8.582 8.582 209 2HD LYS 29 1HD LYS 29 -15.417 8.307 8.307 210 1HE LYS 29 2HE LYS 29 -16.652 6.337 6.337 211 2HE LYS 29 1HE LYS 29 -15.872 6.507 6.507 212 1HZ LYS 29 1HZ LYS 29 -17.659 8.468 8.468 213 2HZ LYS 29 3HZ LYS 29 -18.058 7.440 7.440 214 3HZ LYS 29 2HZ LYS 29 -16.945 8.628 8.628 215 H GLY 30 H GLY 30 -10.716 4.112 4.112 216 1HA GLY 30 1HA GLY 30 -10.709 2.505 2.505 217 2HA GLY 30 2HA GLY 30 -9.594 2.401 2.401 218 H ALA 31 H ALA 31 -7.864 2.611 2.611 219 HA ALA 31 HA ALA 31 -7.625 5.239 5.239 220 1HB ALA 31 3HB ALA 31 -6.889 3.160 3.160 221 2HB ALA 31 2HB ALA 31 -5.657 2.960 2.960 222 3HB ALA 31 1HB ALA 31 -5.589 4.355 4.355 223 H LYS 32 HN LYS 32 -5.333 6.243 6.243 224 HA LYS 32 HA LYS 32 -4.550 6.379 6.379 225 1HB LYS 32 2HB LYS 32 -4.657 8.677 8.677 226 2HB LYS 32 1HB LYS 32 -4.233 8.776 8.776 227 1HG LYS 32 1HG LYS 32 -6.984 8.034 8.034 228 2HG LYS 32 2HG LYS 32 -6.504 9.613 9.613 229 1HD LYS 32 2HD LYS 32 -6.054 8.629 8.629 230 2HD LYS 32 1HD LYS 32 -6.596 7.047 7.047 231 1HE LYS 32 1HE LYS 32 -8.323 9.567 9.567 232 2HE LYS 32 2HE LYS 32 -8.356 8.296 8.296 233 1HZ LYS 32 1HZ LYS 32 -8.990 7.884 7.884 234 2HZ LYS 32 2HZ LYS 32 -10.083 8.044 8.044 235 3HZ LYS 32 3HZ LYS 32 -9.060 6.747 6.747 236 H THR 33 H THR 33 -3.501 4.651 4.651 237 HA THR 33 HA THR 33 -1.074 5.809 5.809 238 HB THR 33 HB THR 33 -1.777 2.873 2.873 239 HG1 THR 33 HG1 THR 33 -2.646 4.698 4.698 240 1HG2 THR 33 2HG2 THR 33 -0.183 4.364 4.364 241 2HG2 THR 33 1HG2 THR 33 -0.500 2.617 2.617 242 3HG2 THR 33 3HG2 THR 33 0.503 3.369 3.369 243 H GLY 34 H GLY 34 -2.101 3.805 3.805 244 1HA GLY 34 1HA GLY 34 0.562 4.203 4.203 245 2HA GLY 34 2HA GLY 34 -0.594 2.916 2.916 246 HA PRO 35 HA PRO 35 -1.387 6.931 6.931 247 1HB PRO 35 1HB PRO 35 -0.853 4.879 4.879 248 2HB PRO 35 2HB PRO 35 -0.553 6.639 6.639 249 1HG PRO 35 1HG PRO 35 1.456 4.871 4.871 250 2HG PRO 35 2HG PRO 35 1.351 6.413 6.413 251 1HD PRO 35 2HD PRO 35 0.690 3.656 3.656 252 2HD PRO 35 1HD PRO 35 1.345 5.036 5.036 253 H ASN 36 H ASN 36 -2.995 6.900 6.900 254 HA ASN 36 HA ASN 36 -5.275 5.084 5.084 255 1HB ASN 36 1HB ASN 36 -5.493 7.456 7.456 256 2HB ASN 36 2HB ASN 36 -5.181 7.917 7.917 257 1HD2 ASN 36 1HD2 ASN 36 -8.346 6.775 6.775 258 2HD2 ASN 36 2HD2 ASN 36 -6.667 7.018 7.018 259 H LEU 37 H LEU 37 -4.555 3.370 3.370 260 HA LEU 37 HA LEU 37 -3.421 3.763 3.763 261 1HB LEU 37 1HB LEU 37 -5.206 1.442 1.442 262 2HB LEU 37 2HB LEU 37 -3.840 1.397 1.397 263 HG LEU 37 HG LEU 37 -2.824 0.555 0.555 264 1HD1 LEU 37 1HD2 LEU 37 -1.614 2.721 2.721 265 2HD1 LEU 37 2HD2 LEU 37 -2.397 3.229 3.229 266 3HD1 LEU 37 3HD2 LEU 37 -1.342 1.812 1.812 267 1HD2 LEU 37 2HD1 LEU 37 -4.748 0.205 0.205 268 2HD2 LEU 37 1HD1 LEU 37 -3.349 0.535 0.535 269 3HD2 LEU 37 3HD1 LEU 37 -4.590 1.795 1.795 270 H TYR 38 H TYR 38 -6.459 5.010 5.010 271 HA TYR 38 HA TYR 38 -7.684 3.682 3.682 272 1HB TYR 38 1HB TYR 38 -8.952 5.169 5.169 273 2HB TYR 38 2HB TYR 38 -7.968 6.547 6.547 274 HD1 TYR 38 HD1 TYR 38 -8.236 7.496 7.496 275 HD2 TYR 38 HD2 TYR 38 -10.645 4.196 4.196 276 HE1 TYR 38 HE1 TYR 38 -9.220 7.281 7.281 277 HE2 TYR 38 HE2 TYR 38 -11.810 4.157 4.157 278 HH TYR 38 HH TYR 38 -11.311 4.499 4.499 279 H GLY 39 H GLY 39 -6.290 3.368 3.368 280 1HA GLY 39 1HA GLY 39 -5.476 4.125 4.125 281 2HA GLY 39 2HA GLY 39 -5.314 5.770 5.770 282 H VAL 40 H VAL 40 -4.115 3.132 3.132 283 HA VAL 40 HA VAL 40 -1.443 4.062 4.062 284 HB VAL 40 HB VAL 40 -2.538 2.628 2.628 285 1HG1 VAL 40 3HG2 VAL 40 -3.244 0.730 0.730 286 2HG1 VAL 40 2HG2 VAL 40 -1.527 0.321 0.321 287 3HG1 VAL 40 1HG2 VAL 40 -2.237 0.214 0.214 288 1HG2 VAL 40 1HG1 VAL 40 -0.205 3.293 3.293 289 2HG2 VAL 40 2HG1 VAL 40 -0.418 1.633 1.633 290 3HG2 VAL 40 3HG1 VAL 40 0.265 1.927 1.927 291 H VAL 41 H VAL 41 -3.164 1.504 1.504 292 HA VAL 41 HA VAL 41 -0.876 0.414 0.414 293 HB VAL 41 HB VAL 41 -3.837 0.318 0.318 294 1HG1 VAL 41 1HG1 VAL 41 -1.503 -1.314 -1.314 295 2HG1 VAL 41 3HG1 VAL 41 -3.222 -1.648 -1.648 296 3HG1 VAL 41 2HG1 VAL 41 -2.496 -0.164 -0.164 297 1HG2 VAL 41 3HG2 VAL 41 -2.009 -1.700 -1.700 298 2HG2 VAL 41 1HG2 VAL 41 -3.289 -0.757 -0.757 299 3HG2 VAL 41 2HG2 VAL 41 -3.710 -1.966 -1.966 300 H GLY 42 H GLY 42 0.365 1.821 1.821 301 1HA GLY 42 1HA GLY 42 0.838 2.746 2.746 302 2HA GLY 42 2HA GLY 42 -0.649 3.695 3.695 303 H ARG 43 HN ARG 43 0.260 3.855 3.855 304 HA ARG 43 HA ARG 43 1.312 6.512 6.512 305 1HB ARG 43 1HB ARG 43 -0.263 5.617 5.617 306 2HB ARG 43 2HB ARG 43 1.175 4.894 4.894 307 1HG ARG 43 1HG ARG 43 0.822 6.952 6.952 308 2HG ARG 43 2HG ARG 43 2.183 7.261 7.261 309 1HD ARG 43 1HD ARG 43 0.572 8.300 8.300 310 2HD ARG 43 2HD ARG 43 -0.753 7.978 7.978 311 HE ARG 43 HE ARG 43 1.211 9.459 9.459 312 1HH1 ARG 43 1HH1 ARG 43 -0.987 9.882 9.882 313 2HH1 ARG 43 2HH1 ARG 43 -0.990 11.622 11.622 314 1HH2 ARG 43 1HH2 ARG 43 1.217 11.715 11.715 315 2HH2 ARG 43 2HH2 ARG 43 0.302 12.693 12.693 316 H THR 44 H THR 44 3.392 7.209 7.209 317 HA THR 44 HA THR 44 5.565 5.487 5.487 318 HB THR 44 HB THR 44 5.623 8.459 8.459 319 HG1 THR 44 HG1 THR 44 5.366 8.618 8.618 320 1HG2 THR 44 1HG2 THR 44 7.444 6.606 6.606 321 2HG2 THR 44 3HG2 THR 44 7.577 8.379 8.379 322 3HG2 THR 44 2HG2 THR 44 7.839 7.447 7.447 323 H ALA 45 H ALA 45 4.930 4.326 4.326 324 HA ALA 45 HA ALA 45 5.650 3.601 3.601 325 1HB ALA 45 2HB ALA 45 7.920 4.288 4.288 326 2HB ALA 45 3HB ALA 45 7.865 5.652 5.652 327 3HB ALA 45 1HB ALA 45 7.840 3.990 3.990 328 H GLY 46 H GLY 46 6.984 5.322 5.322 329 1HA GLY 46 1HA GLY 46 4.628 6.237 6.237 330 2HA GLY 46 2HA GLY 46 6.299 6.477 6.477 331 H THR 47 H THR 47 3.826 7.693 7.693 332 HA THR 47 HA THR 47 4.512 10.457 10.457 333 HB THR 47 HB THR 47 5.934 9.956 9.956 334 HG1 THR 47 HG1 THR 47 3.847 11.827 11.827 335 1HG2 THR 47 2HG2 THR 47 4.377 8.376 8.376 336 2HG2 THR 47 3HG2 THR 47 3.345 9.757 9.757 337 3HG2 THR 47 1HG2 THR 47 5.006 9.683 9.683 338 H TYR 48 H TYR 48 2.098 8.614 8.614 339 HA TYR 48 HA TYR 48 -0.004 9.815 9.815 340 1HB TYR 48 2HB TYR 48 -0.027 7.538 7.538 341 2HB TYR 48 1HB TYR 48 -0.332 8.439 8.439 342 HD1 TYR 48 HD2 TYR 48 -1.621 7.629 7.629 343 HD2 TYR 48 HD1 TYR 48 -2.567 9.381 9.381 344 HE1 TYR 48 HE2 TYR 48 -3.989 7.697 7.697 345 HE2 TYR 48 HE1 TYR 48 -4.959 9.450 9.450 346 HH TYR 48 HH TYR 48 -6.121 7.843 7.843 347 HA PRO 49 HA PRO 49 -0.040 13.646 13.646 348 1HB PRO 49 2HB PRO 49 -3.056 13.433 13.433 349 2HB PRO 49 1HB PRO 49 -2.031 14.853 14.853 350 1HG PRO 49 1HG PRO 49 -3.090 13.396 13.396 351 2HG PRO 49 2HG PRO 49 -1.366 13.874 13.874 352 1HD PRO 49 2HD PRO 49 -2.528 11.219 11.219 353 2HD PRO 49 1HD PRO 49 -1.168 11.549 11.549 354 H GLU 50 HN GLU 50 -0.407 14.637 14.637 355 HA GLU 50 HA GLU 50 -0.267 14.654 14.654 356 1HB GLU 50 1HB GLU 50 -3.066 13.574 13.574 357 2HB GLU 50 2HB GLU 50 -2.487 14.167 14.167 358 1HG GLU 50 2HG GLU 50 -3.692 15.949 15.949 359 2HG GLU 50 1HG GLU 50 -1.983 16.389 16.389 360 H PHE 51 H PHE 51 1.447 12.831 12.831 361 HA PHE 51 HA PHE 51 0.936 11.116 11.116 362 1HB PHE 51 2HB PHE 51 0.001 9.781 9.781 363 2HB PHE 51 1HB PHE 51 1.626 9.727 9.727 364 HD1 PHE 51 HD1 PHE 51 -0.546 8.738 8.738 365 HD2 PHE 51 HD2 PHE 51 3.426 8.464 8.464 366 HE1 PHE 51 HE1 PHE 51 0.084 7.152 7.152 367 HE2 PHE 51 HE2 PHE 51 4.040 6.821 6.821 368 HZ PHE 51 HZ PHE 51 2.354 6.133 6.133 369 H LYS 52 HN LYS 52 2.670 11.225 11.225 370 HA LYS 52 HA LYS 52 5.185 12.274 12.274 371 1HB LYS 52 1HB LYS 52 4.201 12.826 12.826 372 2HB LYS 52 2HB LYS 52 4.463 11.152 11.152 373 1HG LYS 52 1HG LYS 52 6.912 11.443 11.443 374 2HG LYS 52 2HG LYS 52 6.658 13.045 13.045 375 1HD LYS 52 1HD LYS 52 7.371 13.288 13.288 376 2HD LYS 52 2HD LYS 52 5.700 13.854 13.854 377 1HE LYS 52 2HE LYS 52 4.872 11.744 11.744 378 2HE LYS 52 1HE LYS 52 6.519 11.085 11.085 379 1HZ LYS 52 1HZ LYS 52 5.581 13.432 13.432 380 2HZ LYS 52 2HZ LYS 52 5.853 11.932 11.932 381 3HZ LYS 52 3HZ LYS 52 7.111 12.819 12.819 382 H TYR 53 H TYR 53 5.528 10.572 10.572 383 HA TYR 53 HA TYR 53 6.215 7.880 7.880 384 1HB TYR 53 1HB TYR 53 7.102 9.635 9.635 385 2HB TYR 53 2HB TYR 53 7.418 7.913 7.913 386 HD1 TYR 53 HD1 TYR 53 5.482 6.260 6.260 387 HD2 TYR 53 HD2 TYR 53 5.010 10.393 10.393 388 HE1 TYR 53 HE1 TYR 53 3.461 5.676 5.676 389 HE2 TYR 53 HE2 TYR 53 2.905 9.830 9.830 390 HH TYR 53 HH TYR 53 1.931 6.450 6.450 391 H LYS 54 HN LYS 54 8.553 7.097 7.097 392 HA LYS 54 HA LYS 54 10.593 8.673 8.673 393 1HB LYS 54 2HB LYS 54 10.918 5.752 5.752 394 2HB LYS 54 1HB LYS 54 11.521 6.734 6.734 395 1HG LYS 54 2HG LYS 54 8.631 5.876 5.876 396 2HG LYS 54 1HG LYS 54 9.778 5.089 5.089 397 1HD LYS 54 2HD LYS 54 9.816 6.919 6.919 398 2HD LYS 54 1HD LYS 54 9.139 8.049 8.049 399 1HE LYS 54 1HE LYS 54 7.467 7.362 7.362 400 2HE LYS 54 2HE LYS 54 6.972 6.993 6.993 401 1HZ LYS 54 1HZ LYS 54 8.148 5.053 5.053 402 2HZ LYS 54 3HZ LYS 54 6.547 5.184 5.184 403 3HZ LYS 54 2HZ LYS 54 7.626 4.741 4.741 404 H ASP 55 HN ASP 55 12.810 7.934 7.934 405 HA ASP 55 HA ASP 55 13.308 8.933 8.933 406 1HB ASP 55 2HB ASP 55 14.931 9.055 9.055 407 2HB ASP 55 1HB ASP 55 15.055 7.287 7.287 408 H SER 56 H SER 56 12.867 5.503 5.503 409 HA SER 56 HA SER 56 14.293 4.334 4.334 410 1HB SER 56 2HB SER 56 13.012 2.323 2.323 411 2HB SER 56 1HB SER 56 14.101 3.179 3.179 412 HG SER 56 HG SER 56 11.858 2.746 2.746 413 H ILE 57 H ILE 57 10.937 4.261 4.261 414 HA ILE 57 HA ILE 57 9.882 3.386 3.386 415 HB ILE 57 HB ILE 57 9.007 3.318 3.318 416 1HG1 ILE 57 1HG1 ILE 57 6.921 4.042 4.042 417 2HG1 ILE 57 2HG1 ILE 57 7.825 2.521 2.521 418 1HG2 ILE 57 3HG2 ILE 57 9.057 5.714 5.714 419 2HG2 ILE 57 2HG2 ILE 57 7.757 5.988 5.988 420 3HG2 ILE 57 1HG2 ILE 57 7.461 5.021 5.021 421 1HD1 ILE 57 1HD1 ILE 57 6.973 2.049 2.049 422 2HD1 ILE 57 2HD1 ILE 57 5.895 3.459 3.459 423 3HD1 ILE 57 3HD1 ILE 57 5.748 2.076 2.076 424 H VAL 58 H VAL 58 10.756 6.658 6.658 425 HA VAL 58 HA VAL 58 9.415 7.875 7.875 426 HB VAL 58 HB VAL 58 11.510 8.821 8.821 427 1HG1 VAL 58 3HG2 VAL 58 10.295 10.346 10.346 428 2HG1 VAL 58 1HG2 VAL 58 11.175 11.091 11.091 429 3HG1 VAL 58 2HG2 VAL 58 12.019 9.990 9.990 430 1HG2 VAL 58 1HG1 VAL 58 9.062 8.585 8.585 431 2HG2 VAL 58 3HG1 VAL 58 9.713 10.230 10.230 432 3HG2 VAL 58 2HG1 VAL 58 8.662 9.782 9.782 433 H ALA 59 H ALA 59 12.786 6.854 6.854 434 HA ALA 59 HA ALA 59 14.046 7.518 7.518 435 1HB ALA 59 2HB ALA 59 15.277 6.828 6.828 436 2HB ALA 59 1HB ALA 59 14.654 5.170 5.170 437 3HB ALA 59 3HB ALA 59 15.729 5.831 5.831 438 H LEU 60 H LEU 60 12.131 4.575 4.575 439 HA LEU 60 HA LEU 60 12.479 3.073 3.073 440 1HB LEU 60 2HB LEU 60 10.388 3.564 3.564 441 2HB LEU 60 1HB LEU 60 9.788 2.923 2.923 442 HG LEU 60 HG LEU 60 10.387 1.358 1.358 443 1HD1 LEU 60 2HD1 LEU 60 11.088 0.730 0.730 444 2HD1 LEU 60 3HD1 LEU 60 10.941 -0.481 -0.481 445 3HD1 LEU 60 1HD1 LEU 60 9.545 0.501 0.501 446 1HD2 LEU 60 2HD2 LEU 60 12.754 2.176 2.176 447 2HD2 LEU 60 1HD2 LEU 60 12.602 0.423 0.423 448 3HD2 LEU 60 3HD2 LEU 60 13.139 1.419 1.419 449 H GLY 61 H GLY 61 10.236 5.855 5.855 450 1HA GLY 61 1HA GLY 61 9.090 5.861 5.861 451 2HA GLY 61 2HA GLY 61 9.102 7.196 7.196 452 H ALA 62 H ALA 62 11.747 7.719 7.719 453 HA ALA 62 HA ALA 62 12.423 9.309 9.309 454 1HB ALA 62 3HB ALA 62 13.301 9.622 9.622 455 2HB ALA 62 2HB ALA 62 14.373 8.223 8.223 456 3HB ALA 62 1HB ALA 62 14.566 9.675 9.675 457 H SER 63 H SER 63 13.537 5.996 5.996 458 HA SER 63 HA SER 63 15.334 5.868 5.868 459 1HB SER 63 2HB SER 63 15.540 3.518 3.518 460 2HB SER 63 1HB SER 63 15.620 4.482 4.482 461 HG SER 63 HG SER 63 13.207 3.965 3.965 462 H GLY 64 H GLY 64 11.952 5.973 5.973 463 1HA GLY 64 1HA GLY 64 10.742 6.053 6.053 464 2HA GLY 64 2HA GLY 64 11.850 4.938 4.938 465 H PHE 65 H PHE 65 10.887 3.899 3.899 466 HA PHE 65 HA PHE 65 9.420 1.675 1.675 467 1HB PHE 65 2HB PHE 65 10.788 1.231 1.231 468 2HB PHE 65 1HB PHE 65 9.972 2.490 2.490 469 HD1 PHE 65 HD1 PHE 65 9.330 -0.855 -0.855 470 HD2 PHE 65 HD2 PHE 65 7.912 2.208 2.208 471 HE1 PHE 65 HE1 PHE 65 7.660 -2.409 -2.409 472 HE2 PHE 65 HE2 PHE 65 6.396 0.601 0.601 473 HZ PHE 65 HZ PHE 65 6.352 -1.757 -1.757 474 H ALA 66 H ALA 66 7.256 1.338 1.338 475 HA ALA 66 HA ALA 66 5.477 3.325 3.325 476 1HB ALA 66 3HB ALA 66 5.192 2.347 2.347 477 2HB ALA 66 2HB ALA 66 4.008 3.333 3.333 478 3HB ALA 66 1HB ALA 66 5.604 4.006 4.006 479 H TRP 67 H TRP 67 3.738 2.378 2.378 480 HA TRP 67 HA TRP 67 3.962 -0.437 -0.437 481 1HB TRP 67 2HB TRP 67 1.916 1.707 1.707 482 2HB TRP 67 1HB TRP 67 1.627 0.024 0.024 483 HD1 TRP 67 HD1 TRP 67 2.739 3.037 3.037 484 HE1 TRP 67 HE1 TRP 67 4.221 2.597 2.597 485 HE3 TRP 67 HE3 TRP 67 3.710 -1.956 -1.956 486 HZ2 TRP 67 HZ2 TRP 67 5.729 0.522 0.522 487 HZ3 TRP 67 HZ3 TRP 67 5.256 -3.112 -3.112 488 HH2 TRP 67 HH2 TRP 67 6.340 -1.885 -1.885 489 H THR 68 H THR 68 3.078 -2.104 -2.104 490 HA THR 68 HA THR 68 0.933 -1.776 -1.776 491 HB THR 68 HB THR 68 1.800 -3.910 -3.910 492 HG1 THR 68 HG1 THR 68 4.204 -3.750 -3.750 493 1HG2 THR 68 3HG2 THR 68 2.624 -1.840 -1.840 494 2HG2 THR 68 1HG2 THR 68 3.997 -1.829 -1.829 495 3HG2 THR 68 2HG2 THR 68 3.833 -3.146 -3.146 496 H GLU 69 HN GLU 69 -0.496 -3.733 -3.733 497 HA GLU 69 HA GLU 69 -1.486 -4.542 -4.542 498 1HB GLU 69 2HB GLU 69 -1.740 -6.784 -6.784 499 2HB GLU 69 1HB GLU 69 -2.926 -5.643 -5.643 500 1HG GLU 69 2HG GLU 69 -2.943 -5.750 -5.750 501 2HG GLU 69 1HG GLU 69 -2.491 -4.135 -4.135 502 H GLU 70 HN GLU 70 0.817 -6.199 -6.199 503 HA GLU 70 HA GLU 70 1.257 -8.460 -8.460 504 1HB GLU 70 1HB GLU 70 3.201 -8.955 -8.955 505 2HB GLU 70 2HB GLU 70 1.758 -8.548 -8.548 506 1HG GLU 70 1HG GLU 70 2.654 -6.286 -6.286 507 2HG GLU 70 2HG GLU 70 4.141 -6.706 -6.706 508 H ASP 71 HN ASP 71 3.184 -5.426 -5.426 509 HA ASP 71 HA ASP 71 5.093 -6.204 -6.204 510 1HB ASP 71 2HB ASP 71 4.212 -3.482 -3.482 511 2HB ASP 71 1HB ASP 71 5.486 -3.749 -3.749 512 H ILE 72 H ILE 72 1.935 -4.451 -4.451 513 HA ILE 72 HA ILE 72 2.155 -3.844 -3.844 514 HB ILE 72 HB ILE 72 -0.215 -4.438 -4.438 515 1HG1 ILE 72 2HG1 ILE 72 1.281 -2.334 -2.334 516 2HG1 ILE 72 1HG1 ILE 72 -0.469 -2.170 -2.170 517 1HG2 ILE 72 1HG2 ILE 72 -0.265 -3.574 -3.574 518 2HG2 ILE 72 3HG2 ILE 72 -1.629 -3.368 -3.368 519 3HG2 ILE 72 2HG2 ILE 72 -1.045 -4.984 -4.984 520 1HD1 ILE 72 2HD1 ILE 72 -0.314 -1.411 -1.411 521 2HD1 ILE 72 3HD1 ILE 72 1.454 -1.660 -1.660 522 3HD1 ILE 72 1HD1 ILE 72 0.670 -0.413 -0.413 523 H ALA 73 H ALA 73 0.683 -6.684 -6.684 524 HA ALA 73 HA ALA 73 -0.005 -8.148 -8.148 525 1HB ALA 73 3HB ALA 73 -0.641 -8.760 -8.760 526 2HB ALA 73 1HB ALA 73 1.031 -9.240 -9.240 527 3HB ALA 73 2HB ALA 73 0.087 -10.131 -10.131 528 H THR 74 H THR 74 3.119 -8.150 -8.150 529 HA THR 74 HA THR 74 4.417 -10.035 -10.035 530 HB THR 74 HB THR 74 5.742 -7.736 -7.736 531 HG1 THR 74 HG1 THR 74 4.375 -8.864 -8.864 532 1HG2 THR 74 1HG2 THR 74 7.235 -9.098 -9.098 533 2HG2 THR 74 3HG2 THR 74 6.687 -10.563 -10.563 534 3HG2 THR 74 2HG2 THR 74 7.603 -9.329 -9.329 535 H TYR 75 H TYR 75 4.549 -6.421 -6.421 536 HA TYR 75 HA TYR 75 6.197 -6.243 -6.243 537 1HB TYR 75 2HB TYR 75 5.962 -4.381 -4.381 538 2HB TYR 75 1HB TYR 75 4.230 -4.342 -4.342 539 HD1 TYR 75 HD1 TYR 75 7.271 -3.681 -3.681 540 HD2 TYR 75 HD2 TYR 75 2.987 -3.334 -3.334 541 HE1 TYR 75 HE1 TYR 75 7.333 -2.218 -2.218 542 HE2 TYR 75 HE2 TYR 75 3.064 -1.875 -1.875 543 HH TYR 75 HH TYR 75 4.372 -0.971 -0.971 544 H VAL 76 H VAL 76 2.627 -6.466 -6.466 545 HA VAL 76 HA VAL 76 2.150 -6.225 -6.225 546 HB VAL 76 HB VAL 76 0.660 -7.555 -7.555 547 1HG1 VAL 76 1HG2 VAL 76 -0.252 -7.298 -7.298 548 2HG1 VAL 76 2HG2 VAL 76 -1.324 -7.629 -7.629 549 3HG1 VAL 76 3HG2 VAL 76 -0.072 -8.799 -8.799 550 1HG2 VAL 76 3HG1 VAL 76 0.846 -5.027 -5.027 551 2HG2 VAL 76 1HG1 VAL 76 -0.816 -5.622 -5.622 552 3HG2 VAL 76 2HG1 VAL 76 0.054 -5.077 -5.077 553 H LYS 77 HN LYS 77 3.468 -8.955 -8.955 554 HA LYS 77 HA LYS 77 3.103 -10.814 -10.814 555 1HB LYS 77 2HB LYS 77 4.327 -11.153 -11.153 556 2HB LYS 77 1HB LYS 77 4.170 -12.429 -12.429 557 1HG LYS 77 1HG LYS 77 1.768 -12.294 -12.294 558 2HG LYS 77 2HG LYS 77 1.783 -10.864 -10.864 559 1HD LYS 77 1HD LYS 77 2.967 -12.268 -12.268 560 2HD LYS 77 2HD LYS 77 2.658 -13.687 -13.687 561 1HE LYS 77 1HE LYS 77 0.591 -11.802 -11.802 562 2HE LYS 77 2HE LYS 77 0.916 -13.475 -13.475 563 1HZ LYS 77 1HZ LYS 77 0.160 -14.170 -14.170 564 2HZ LYS 77 3HZ LYS 77 -0.165 -12.611 -12.611 565 3HZ LYS 77 2HZ LYS 77 -1.010 -13.323 -13.323 566 H ASP 78 HN ASP 78 5.569 -8.841 -8.841 567 HA ASP 78 HA ASP 78 7.632 -9.694 -9.694 568 1HB ASP 78 1HB ASP 78 7.884 -9.421 -9.421 569 2HB ASP 78 2HB ASP 78 9.250 -9.484 -9.484 570 HA PRO 79 HA PRO 79 7.440 -5.065 -5.065 571 1HB PRO 79 2HB PRO 79 7.263 -4.413 -4.413 572 2HB PRO 79 1HB PRO 79 5.824 -4.808 -4.808 573 1HG PRO 79 2HG PRO 79 7.452 -6.696 -6.696 574 2HG PRO 79 1HG PRO 79 5.707 -6.351 -6.351 575 1HD PRO 79 2HD PRO 79 6.678 -8.495 -8.495 576 2HD PRO 79 1HD PRO 79 5.367 -7.507 -7.507 577 H GLY 80 H GLY 80 9.120 -3.757 -3.757 578 1HA GLY 80 1HA GLY 80 11.341 -3.145 -3.145 579 2HA GLY 80 2HA GLY 80 11.438 -4.531 -4.531 580 H ALA 81 H ALA 81 11.344 -6.716 -6.716 581 HA ALA 81 HA ALA 81 13.695 -7.115 -7.115 582 1HB ALA 81 3HB ALA 81 11.108 -8.708 -8.708 583 2HB ALA 81 2HB ALA 81 12.654 -9.285 -9.285 584 3HB ALA 81 1HB ALA 81 12.504 -8.929 -8.929 585 H PHE 82 H PHE 82 10.335 -6.599 -6.599 586 HA PHE 82 HA PHE 82 10.754 -6.681 -6.681 587 1HB PHE 82 2HB PHE 82 8.559 -6.318 -6.318 588 2HB PHE 82 1HB PHE 82 9.091 -4.720 -4.720 589 HD1 PHE 82 HD1 PHE 82 8.178 -6.901 -6.901 590 HD2 PHE 82 HD2 PHE 82 9.083 -2.864 -2.864 591 HE1 PHE 82 HE1 PHE 82 7.526 -6.071 -6.071 592 HE2 PHE 82 HE2 PHE 82 8.501 -2.056 -2.056 593 HZ PHE 82 HZ PHE 82 7.774 -3.683 -3.683 594 H LEU 83 H LEU 83 11.423 -3.807 -3.807 595 HA LEU 83 HA LEU 83 12.118 -2.096 -2.096 596 1HB LEU 83 2HB LEU 83 12.503 -1.930 -1.930 597 2HB LEU 83 1HB LEU 83 12.972 -0.725 -0.725 598 HG LEU 83 HG LEU 83 10.379 -1.037 -1.037 599 1HD1 LEU 83 2HD2 LEU 83 10.432 -1.376 -1.376 600 2HD1 LEU 83 3HD2 LEU 83 9.006 -1.015 -1.015 601 3HD1 LEU 83 1HD2 LEU 83 9.832 -2.578 -2.578 602 1HD2 LEU 83 2HD1 LEU 83 11.553 1.116 1.116 603 2HD2 LEU 83 3HD1 LEU 83 9.937 1.053 1.053 604 3HD2 LEU 83 1HD1 LEU 83 11.368 0.771 0.771 605 H LYS 84 HN LYS 84 13.879 -3.957 -3.957 606 HA LYS 84 HA LYS 84 16.506 -3.275 -3.275 607 1HB LYS 84 2HB LYS 84 15.333 -5.842 -5.842 608 2HB LYS 84 1HB LYS 84 17.075 -5.622 -5.622 609 1HG LYS 84 1HG LYS 84 17.163 -3.715 -3.715 610 2HG LYS 84 2HG LYS 84 15.387 -3.629 -3.629 611 1HD LYS 84 2HD LYS 84 15.223 -5.490 -5.490 612 2HD LYS 84 1HD LYS 84 16.850 -6.079 -6.079 613 1HE LYS 84 2HE LYS 84 16.768 -5.010 -5.010 614 2HE LYS 84 1HE LYS 84 17.913 -4.239 -4.239 615 1HZ LYS 84 3HZ LYS 84 16.191 -2.595 -2.595 616 2HZ LYS 84 1HZ LYS 84 15.249 -3.242 -3.242 617 3HZ LYS 84 2HZ LYS 84 16.721 -2.573 -2.573 618 H GLU 85 HN GLU 85 14.528 -5.955 -5.955 619 HA GLU 85 HA GLU 85 16.248 -7.159 -7.159 620 1HB GLU 85 2HB GLU 85 13.942 -7.858 -7.858 621 2HB GLU 85 1HB GLU 85 13.335 -6.354 -6.354 622 1HG GLU 85 2HG GLU 85 14.303 -6.939 -6.939 623 2HG GLU 85 1HG GLU 85 14.933 -8.431 -8.431 624 H LYS 86 HN LYS 86 14.336 -4.263 -4.263 625 HA LYS 86 HA LYS 86 15.637 -3.931 -3.931 626 1HB LYS 86 2HB LYS 86 13.545 -2.193 -2.193 627 2HB LYS 86 1HB LYS 86 14.025 -2.177 -2.177 628 1HG LYS 86 2HG LYS 86 13.332 -4.631 -4.631 629 2HG LYS 86 1HG LYS 86 12.637 -4.440 -4.440 630 1HD LYS 86 1HD LYS 86 11.229 -2.547 -2.547 631 2HD LYS 86 2HD LYS 86 11.810 -2.927 -2.927 632 1HE LYS 86 1HE LYS 86 10.273 -4.792 -4.792 633 2HE LYS 86 2HE LYS 86 9.624 -3.986 -3.986 634 1HZ LYS 86 1HZ LYS 86 11.253 -5.250 -5.250 635 2HZ LYS 86 2HZ LYS 86 11.673 -6.076 -6.076 636 3HZ LYS 86 3HZ LYS 86 10.146 -6.191 -6.191 637 H LEU 87 H LEU 87 15.452 -1.988 -1.988 638 HA LEU 87 HA LEU 87 17.131 0.071 0.071 639 1HB LEU 87 2HB LEU 87 15.236 0.457 0.457 640 2HB LEU 87 1HB LEU 87 16.161 -0.353 -0.353 641 HG LEU 87 HG LEU 87 17.857 1.437 1.437 642 1HD1 LEU 87 1HD2 LEU 87 16.083 2.658 2.658 643 2HD1 LEU 87 3HD2 LEU 87 17.370 3.529 3.529 644 3HD1 LEU 87 2HD2 LEU 87 17.784 2.160 2.160 645 1HD2 LEU 87 2HD1 LEU 87 15.843 1.669 1.669 646 2HD2 LEU 87 1HD1 LEU 87 16.491 3.230 3.230 647 3HD2 LEU 87 3HD1 LEU 87 15.036 2.570 2.570 648 H ASP 88 HN ASP 88 17.791 -2.836 -2.836 649 HA ASP 88 HA ASP 88 19.546 -3.703 -3.703 650 1HB ASP 88 2HB ASP 88 20.039 -4.009 -4.009 651 2HB ASP 88 1HB ASP 88 20.750 -2.396 -2.396 652 H ASP 89 HN ASP 89 19.022 -2.005 -2.005 653 HA ASP 89 HA ASP 89 21.570 -0.836 -0.836 654 1HB ASP 89 2HB ASP 89 20.379 0.951 0.951 655 2HB ASP 89 1HB ASP 89 19.028 0.848 0.848 656 H LYS 90 HN LYS 90 21.720 -0.895 -0.895 657 HA LYS 90 HA LYS 90 20.109 -2.659 -2.659 658 1HB LYS 90 2HB LYS 90 22.465 -2.049 -2.049 659 2HB LYS 90 1HB LYS 90 21.957 -0.406 -0.406 660 1HG LYS 90 2HG LYS 90 20.612 -1.303 -1.303 661 2HG LYS 90 1HG LYS 90 21.053 -2.961 -2.961 662 1HD LYS 90 1HD LYS 90 23.456 -2.416 -2.416 663 2HD LYS 90 2HD LYS 90 23.018 -0.776 -0.776 664 1HE LYS 90 2HE LYS 90 22.136 -3.352 -3.352 665 2HE LYS 90 1HE LYS 90 23.460 -2.300 -2.300 666 1HZ LYS 90 3HZ LYS 90 21.878 -0.533 -0.533 667 2HZ LYS 90 1HZ LYS 90 20.638 -1.520 -1.520 668 3HZ LYS 90 2HZ LYS 90 21.481 -1.838 -1.838 669 H LYS 91 HN LYS 91 19.976 0.903 0.903 670 HA LYS 91 HA LYS 91 17.837 1.116 1.116 671 1HB LYS 91 2HB LYS 91 17.840 3.502 3.502 672 2HB LYS 91 1HB LYS 91 19.452 2.923 2.923 673 1HG LYS 91 1HG LYS 91 20.296 3.288 3.288 674 2HG LYS 91 2HG LYS 91 18.730 3.072 3.072 675 1HD LYS 91 1HD LYS 91 17.964 5.249 5.249 676 2HD LYS 91 2HD LYS 91 19.502 5.473 5.473 677 1HE LYS 91 2HE LYS 91 20.731 5.406 5.406 678 2HE LYS 91 1HE LYS 91 19.215 5.110 5.110 679 1HZ LYS 91 1HZ LYS 91 19.794 7.521 7.521 680 2HZ LYS 91 2HZ LYS 91 19.862 7.398 7.398 681 3HZ LYS 91 3HZ LYS 91 18.421 7.212 7.212 682 H ALA 92 H ALA 92 17.543 -0.329 -0.329 683 HA ALA 92 HA ALA 92 15.232 1.112 1.112 684 1HB ALA 92 3HB ALA 92 16.794 -0.182 -0.182 685 2HB ALA 92 1HB ALA 92 16.302 -1.658 -1.658 686 3HB ALA 92 2HB ALA 92 15.124 -0.759 -0.759 687 H LYS 93 HN LYS 93 14.451 1.094 1.094 688 HA LYS 93 HA LYS 93 13.018 -1.418 -1.418 689 1HB LYS 93 2HB LYS 93 13.533 1.108 1.108 690 2HB LYS 93 1HB LYS 93 12.894 -0.435 -0.435 691 1HG LYS 93 1HG LYS 93 15.056 -1.528 -1.528 692 2HG LYS 93 2HG LYS 93 15.699 0.081 0.081 693 1HD LYS 93 1HD LYS 93 15.078 0.771 0.771 694 2HD LYS 93 2HD LYS 93 14.771 -0.941 -0.941 695 1HE LYS 93 2HE LYS 93 17.410 0.369 0.369 696 2HE LYS 93 1HE LYS 93 17.012 -0.397 -0.397 697 1HZ LYS 93 1HZ LYS 93 16.772 -2.481 -2.481 698 2HZ LYS 93 3HZ LYS 93 17.345 -1.708 -1.708 699 3HZ LYS 93 2HZ LYS 93 18.300 -1.863 -1.863 700 H THR 94 H THR 94 10.935 -0.548 -0.548 701 HA THR 94 HA THR 94 9.455 1.591 1.591 702 HB THR 94 HB THR 94 8.811 -0.123 -0.123 703 HG1 THR 94 HG1 THR 94 6.603 -0.290 -0.290 704 1HG2 THR 94 1HG2 THR 94 9.542 -2.153 -2.153 705 2HG2 THR 94 3HG2 THR 94 8.188 -1.941 -1.941 706 3HG2 THR 94 2HG2 THR 94 7.872 -2.293 -2.293 707 H GLY 95 H GLY 95 7.694 2.152 2.152 708 1HA GLY 95 1HA GLY 95 8.039 1.485 1.485 709 2HA GLY 95 2HA GLY 95 6.770 2.490 2.490 710 H MET 96 H MET 96 6.409 -0.012 -0.012 711 HA MET 96 HA MET 96 4.171 -0.977 -0.977 712 1HB MET 96 1HB MET 96 4.563 -0.682 -0.682 713 2HB MET 96 2HB MET 96 5.389 -2.247 -2.247 714 1HG MET 96 2HG MET 96 3.270 -3.252 -3.252 715 2HG MET 96 1HG MET 96 2.671 -1.749 -1.749 716 1HE MET 96 1HE MET 96 3.369 -4.386 -4.386 717 2HE MET 96 3HE MET 96 1.684 -4.564 -4.564 718 3HE MET 96 2HE MET 96 2.029 -4.018 -4.018 719 H ALA 97 H ALA 97 5.256 -1.693 -1.693 720 HA ALA 97 HA ALA 97 6.538 -4.312 -4.312 721 1HB ALA 97 2HB ALA 97 6.950 -2.643 -2.643 722 2HB ALA 97 1HB ALA 97 5.242 -2.710 -2.710 723 3HB ALA 97 3HB ALA 97 6.280 -4.139 -4.139 724 H PHE 98 H PHE 98 4.567 -4.845 -4.845 725 HA PHE 98 HA PHE 98 2.853 -6.745 -6.745 726 1HB PHE 98 1HB PHE 98 1.398 -4.909 -4.909 727 2HB PHE 98 2HB PHE 98 1.727 -4.129 -4.129 728 HD1 PHE 98 HD1 PHE 98 -0.066 -6.989 -6.989 729 HD2 PHE 98 HD2 PHE 98 0.572 -4.739 -4.739 730 HE1 PHE 98 HE1 PHE 98 -1.866 -8.272 -8.272 731 HE2 PHE 98 HE2 PHE 98 -1.217 -6.036 -6.036 732 HZ PHE 98 HZ PHE 98 -2.457 -7.790 -7.790 733 H LYS 99 HN LYS 99 2.031 -8.206 -8.206 734 HA LYS 99 HA LYS 99 2.193 -7.677 -7.677 735 1HB LYS 99 1HB LYS 99 3.694 -9.602 -9.602 736 2HB LYS 99 2HB LYS 99 4.471 -8.299 -8.299 737 1HG LYS 99 2HG LYS 99 4.289 -9.586 -9.586 738 2HG LYS 99 1HG LYS 99 3.532 -10.912 -10.912 739 1HD LYS 99 2HD LYS 99 5.612 -11.080 -11.080 740 2HD LYS 99 1HD LYS 99 6.330 -9.772 -9.772 741 1HE LYS 99 2HE LYS 99 7.183 -11.883 -11.883 742 2HE LYS 99 1HE LYS 99 6.140 -11.185 -11.185 743 1HZ LYS 99 2HZ LYS 99 5.363 -13.272 -13.272 744 2HZ LYS 99 3HZ LYS 99 5.748 -13.521 -13.521 745 3HZ LYS 99 1HZ LYS 99 4.402 -12.658 -12.658 746 H LEU 100 H LEU 100 1.451 -9.657 -9.657 747 HA LEU 100 HA LEU 100 -0.135 -11.518 -11.518 748 1HB LEU 100 1HB LEU 100 -1.408 -9.421 -9.421 749 2HB LEU 100 2HB LEU 100 -1.283 -10.004 -10.004 750 HG LEU 100 HG LEU 100 -2.462 -12.112 -12.112 751 1HD1 LEU 100 3HD2 LEU 100 -2.694 -10.741 -10.741 752 2HD1 LEU 100 2HD2 LEU 100 -3.760 -12.061 -12.061 753 3HD1 LEU 100 1HD2 LEU 100 -2.034 -12.356 -12.356 754 1HD2 LEU 100 3HD1 LEU 100 -3.676 -10.152 -10.152 755 2HD2 LEU 100 1HD1 LEU 100 -4.682 -11.104 -11.104 756 3HD2 LEU 100 2HD1 LEU 100 -3.979 -9.565 -9.565 757 H ALA 101 H ALA 101 0.561 -13.485 -13.485 758 HA ALA 101 HA ALA 101 1.799 -13.933 -13.933 759 1HB ALA 101 2HB ALA 101 2.715 -14.907 -14.907 760 2HB ALA 101 1HB ALA 101 1.222 -15.849 -15.849 761 3HB ALA 101 3HB ALA 101 2.274 -16.156 -16.156 762 H LYS 102 HN LYS 102 -0.831 -13.113 -13.113 763 HA LYS 102 HA LYS 102 -1.970 -14.908 -14.908 764 1HB LYS 102 2HB LYS 102 -4.037 -15.579 -15.579 765 2HB LYS 102 1HB LYS 102 -2.637 -16.332 -16.332 766 1HG LYS 102 1HG LYS 102 -2.669 -14.616 -14.616 767 2HG LYS 102 2HG LYS 102 -4.077 -13.847 -13.847 768 1HD LYS 102 1HD LYS 102 -5.357 -15.986 -15.986 769 2HD LYS 102 2HD LYS 102 -3.949 -16.699 -16.699 770 1HE LYS 102 2HE LYS 102 -5.534 -15.966 -15.966 771 2HE LYS 102 1HE LYS 102 -4.095 -14.939 -14.939 772 1HZ LYS 102 3HZ LYS 102 -6.620 -14.242 -14.242 773 2HZ LYS 102 1HZ LYS 102 -6.130 -13.690 -13.690 774 3HZ LYS 102 2HZ LYS 102 -5.298 -13.269 -13.269 775 H GLY 103 H GLY 103 -4.426 -13.966 -13.966 776 1HA GLY 103 1HA GLY 103 -5.831 -12.170 -12.170 777 2HA GLY 103 2HA GLY 103 -4.916 -11.323 -11.323 778 H GLY 104 H GLY 104 -2.452 -10.970 -10.970 779 1HA GLY 104 1HA GLY 104 -2.203 -8.732 -8.732 780 2HA GLY 104 2HA GLY 104 -1.122 -10.064 -10.064 781 H GLU 105 HN GLU 105 -2.647 -11.704 -11.704 782 HA GLU 105 HA GLU 105 -2.556 -10.253 -10.253 783 1HB GLU 105 2HB GLU 105 -3.473 -12.439 -12.439 784 2HB GLU 105 1HB GLU 105 -1.885 -12.489 -12.489 785 1HG GLU 105 1HG GLU 105 -4.404 -13.250 -13.250 786 2HG GLU 105 2HG GLU 105 -3.557 -14.358 -14.358 787 H ASP 106 HN ASP 106 -5.158 -11.373 -11.373 788 HA ASP 106 HA ASP 106 -7.348 -10.809 -10.809 789 1HB ASP 106 2HB ASP 106 -7.412 -11.036 -11.036 790 2HB ASP 106 1HB ASP 106 -8.733 -11.280 -11.280 791 H VAL 107 H VAL 107 -5.804 -9.240 -9.240 792 HA VAL 107 HA VAL 107 -7.358 -6.857 -6.857 793 HB VAL 107 HB VAL 107 -4.546 -7.556 -7.556 794 1HG1 VAL 107 3HG1 VAL 107 -6.161 -5.031 -5.031 795 2HG1 VAL 107 1HG1 VAL 107 -4.757 -5.554 -5.554 796 3HG1 VAL 107 2HG1 VAL 107 -4.555 -5.143 -5.143 797 1HG2 VAL 107 2HG2 VAL 107 -6.444 -8.765 -8.765 798 2HG2 VAL 107 3HG2 VAL 107 -5.621 -7.658 -7.658 799 3HG2 VAL 107 1HG2 VAL 107 -7.181 -7.201 -7.201 800 H ALA 108 H ALA 108 -4.277 -7.655 -7.655 801 HA ALA 108 HA ALA 108 -3.912 -5.123 -5.123 802 1HB ALA 108 1HB ALA 108 -3.138 -7.903 -7.903 803 2HB ALA 108 2HB ALA 108 -2.575 -6.377 -6.377 804 3HB ALA 108 3HB ALA 108 -2.157 -6.792 -6.792 805 H ALA 109 H ALA 109 -5.694 -8.022 -8.022 806 HA ALA 109 HA ALA 109 -6.568 -6.825 -6.825 807 1HB ALA 109 2HB ALA 109 -7.936 -8.949 -8.949 808 2HB ALA 109 3HB ALA 109 -8.340 -8.545 -8.545 809 3HB ALA 109 1HB ALA 109 -6.745 -9.215 -9.215 810 H TYR 110 H TYR 110 -8.058 -6.832 -6.832 811 HA TYR 110 HA TYR 110 -10.400 -5.389 -5.389 812 1HB TYR 110 1HB TYR 110 -10.250 -6.468 -6.468 813 2HB TYR 110 2HB TYR 110 -8.773 -5.632 -5.632 814 HD1 TYR 110 HD2 TYR 110 -12.322 -4.778 -4.778 815 HD2 TYR 110 HD1 TYR 110 -8.902 -3.864 -3.864 816 HE1 TYR 110 HE2 TYR 110 -13.612 -2.994 -2.994 817 HE2 TYR 110 HE1 TYR 110 -10.211 -2.126 -2.126 818 HH TYR 110 HH TYR 110 -12.225 -1.048 -1.048 819 H LEU 111 H LEU 111 -7.217 -4.134 -4.134 820 HA LEU 111 HA LEU 111 -7.840 -1.402 -1.402 821 1HB LEU 111 1HB LEU 111 -5.231 -2.917 -2.917 822 2HB LEU 111 2HB LEU 111 -5.298 -1.154 -1.154 823 HG LEU 111 HG LEU 111 -6.526 -2.692 -2.692 824 1HD1 LEU 111 2HD2 LEU 111 -3.653 -1.721 -1.721 825 2HD1 LEU 111 3HD2 LEU 111 -4.406 -2.322 -2.322 826 3HD1 LEU 111 1HD2 LEU 111 -4.188 -3.410 -3.410 827 1HD2 LEU 111 3HD1 LEU 111 -5.427 0.142 0.142 828 2HD2 LEU 111 1HD1 LEU 111 -7.143 -0.292 -0.292 829 3HD2 LEU 111 2HD1 LEU 111 -6.086 -0.545 -0.545 830 H ALA 112 H ALA 112 -6.379 -3.536 -3.536 831 HA ALA 112 HA ALA 112 -6.186 -1.662 -1.662 832 1HB ALA 112 2HB ALA 112 -5.250 -3.938 -3.938 833 2HB ALA 112 1HB ALA 112 -6.887 -4.611 -4.611 834 3HB ALA 112 3HB ALA 112 -6.229 -3.560 -3.560 835 H SER 113 H SER 113 -9.029 -3.564 -3.564 836 HA SER 113 HA SER 113 -10.767 -2.550 -2.550 837 1HB SER 113 2HB SER 113 -11.542 -3.908 -3.908 838 2HB SER 113 1HB SER 113 -12.488 -3.792 -3.792 839 HG SER 113 HG SER 113 -10.011 -5.173 -5.173 840 H VAL 114 H VAL 114 -9.633 -1.161 -1.161 841 HA VAL 114 HA VAL 114 -12.068 0.448 0.448 842 HB VAL 114 HB VAL 114 -9.434 -0.008 -0.008 843 1HG1 VAL 114 3HG1 VAL 114 -11.475 2.097 2.097 844 2HG1 VAL 114 1HG1 VAL 114 -10.114 1.575 1.575 845 3HG1 VAL 114 2HG1 VAL 114 -9.786 2.384 2.384 846 1HG2 VAL 114 1HG2 VAL 114 -11.421 -1.575 -1.575 847 2HG2 VAL 114 2HG2 VAL 114 -10.842 -0.770 -0.770 848 3HG2 VAL 114 3HG2 VAL 114 -12.310 -0.194 -0.194 849 H VAL 115 H VAL 115 -8.749 0.739 0.739 850 HA VAL 115 HA VAL 115 -9.086 3.612 3.612 851 HB VAL 115 HB VAL 115 -6.978 2.656 2.656 852 1HG1 VAL 115 3HG2 VAL 115 -6.918 0.540 0.540 853 2HG1 VAL 115 1HG2 VAL 115 -6.844 1.334 1.334 854 3HG1 VAL 115 2HG2 VAL 115 -5.514 1.518 1.518 855 1HG2 VAL 115 2HG1 VAL 115 -7.084 4.823 4.823 856 2HG2 VAL 115 1HG1 VAL 115 -5.584 3.954 3.954 857 3HG2 VAL 115 3HG1 VAL 115 -6.881 4.011 4.011 858 H LYS 116 HN LYS 116 -11.227 2.864 2.864 859 HA LYS 116 HA LYS 116 -12.645 2.972 2.972 860 1HB LYS 116 1HB LYS 116 -10.314 3.910 3.910 861 2HB LYS 116 2HB LYS 116 -12.030 3.960 3.960 862 1HG LYS 116 1HG LYS 116 -11.684 6.114 6.114 863 2HG LYS 116 2HG LYS 116 -12.305 5.400 5.400 864 1HD LYS 116 2HD LYS 116 -9.971 5.290 5.290 865 2HD LYS 116 1HD LYS 116 -9.345 5.833 5.833 866 1HE LYS 116 2HE LYS 116 -9.367 7.670 7.670 867 2HE LYS 116 1HE LYS 116 -10.547 8.008 8.008 868 1HZ LYS 116 3HZ LYS 116 -11.169 6.871 6.871 869 2HZ LYS 116 2HZ LYS 116 -11.385 8.450 8.450 870 3HZ LYS 116 1HZ LYS 116 -12.265 7.265 7.265 871 HHA HEC 117 HHA HEM 117 3.146 2.447 2.447 872 HHB HEC 117 HHB HEM 117 -0.761 -1.731 -1.731 873 HHC HEC 117 HHC HEM 117 -2.782 -3.601 -3.601 874 HHD HEC 117 HHD HEM 117 1.930 -0.203 -0.203 875 1HMA HEC 117 1HMA HEM 117 1.331 -1.612 -1.612 876 2HMA HEC 117 2HMA HEM 117 0.444 -0.100 -0.100 877 3HMA HEC 117 3HMA HEM 117 2.220 -0.154 -0.154 878 1HAA HEC 117 1HAA HEM 117 3.491 2.555 2.555 879 2HAA HEC 117 2HAA HEM 117 3.608 1.424 1.424 880 1HBA HEC 117 1HBA HEM 117 1.530 2.258 2.258 881 2HBA HEC 117 2HBA HEM 117 1.197 3.221 3.221 882 1HMB HEC 117 1HMB HEM 117 -3.936 -3.648 -3.648 883 2HMB HEC 117 2HMB HEM 117 -3.489 -2.001 -2.001 884 3HMB HEC 117 3HMB HEM 117 -2.410 -3.378 -3.378 885 HAB HEC 117 HAB HEM 117 -4.442 -2.609 -2.609 886 1HBB HEC 117 1HBB HEM 117 -6.302 -2.055 -2.055 887 2HBB HEC 117 2HBB HEM 117 -5.629 -2.821 -2.821 888 3HBB HEC 117 3HBB HEM 117 -4.970 -1.277 -1.277 889 1HMC HEC 117 1HMC HEM 117 -2.321 -3.313 -3.313 890 2HMC HEC 117 2HMC HEM 117 -3.356 -2.971 -2.971 891 3HMC HEC 117 3HMC HEM 117 -2.289 -4.389 -4.389 892 HAC HEC 117 HAC HEM 117 0.280 -0.336 -0.336 893 1HBC HEC 117 1HBC HEM 117 0.019 -1.806 -1.806 894 2HBC HEC 117 2HBC HEM 117 -0.567 -3.120 -3.120 895 3HBC HEC 117 3HBC HEM 117 1.096 -2.525 -2.525 896 1HMD HEC 117 1HMD HEM 117 2.500 2.963 2.963 897 2HMD HEC 117 2HMD HEM 117 3.439 1.471 1.471 898 3HMD HEC 117 3HMD HEM 117 4.188 2.865 2.865 899 1HAD HEC 117 1HAD HEM 117 4.101 4.104 4.104 900 2HAD HEC 117 2HAD HEM 117 3.652 4.054 4.054 901 1HBD HEC 117 1HBD HEM 117 5.442 2.504 2.504 902 2HBD HEC 117 2HBD HEM 117 5.677 2.140 2.140 Start of MODEL 4 1 1H GLY 1 1H GLY 1 -6.956 -10.637 -10.637 2 2H GLY 1 2H GLY 1 -7.166 -12.258 -12.258 3 1HA GLY 1 1HA GLY 1 -6.804 -12.924 -12.924 4 2HA GLY 1 2HA GLY 1 -6.539 -11.227 -11.227 5 H ASP 2 HN ASP 2 -8.482 -12.944 -12.944 6 HA ASP 2 HA ASP 2 -11.132 -12.400 -12.400 7 1HB ASP 2 2HB ASP 2 -10.253 -13.556 -13.556 8 2HB ASP 2 1HB ASP 2 -11.931 -13.358 -13.358 9 H ALA 3 H ALA 3 -10.757 -10.068 -10.068 10 HA ALA 3 HA ALA 3 -10.439 -8.197 -8.197 11 1HB ALA 3 2HB ALA 3 -12.652 -8.202 -8.202 12 2HB ALA 3 3HB ALA 3 -12.062 -6.764 -6.764 13 3HB ALA 3 1HB ALA 3 -10.975 -7.660 -7.660 14 H ALA 4 H ALA 4 -13.452 -10.078 -10.078 15 HA ALA 4 HA ALA 4 -15.023 -8.769 -8.769 16 1HB ALA 4 2HB ALA 4 -15.928 -10.401 -10.401 17 2HB ALA 4 1HB ALA 4 -15.009 -11.707 -11.707 18 3HB ALA 4 3HB ALA 4 -16.306 -10.876 -10.876 19 H LYS 5 HN LYS 5 -12.616 -11.408 -11.408 20 HA LYS 5 HA LYS 5 -13.126 -11.860 -11.860 21 1HB LYS 5 1HB LYS 5 -10.704 -12.547 -12.547 22 2HB LYS 5 2HB LYS 5 -11.033 -13.163 -13.163 23 1HG LYS 5 2HG LYS 5 -12.920 -13.676 -13.676 24 2HG LYS 5 1HG LYS 5 -11.490 -14.666 -14.666 25 1HD LYS 5 1HD LYS 5 -12.366 -15.268 -15.268 26 2HD LYS 5 2HD LYS 5 -13.759 -14.194 -14.194 27 1HE LYS 5 1HE LYS 5 -14.344 -16.559 -16.559 28 2HE LYS 5 2HE LYS 5 -14.559 -15.535 -15.535 29 1HZ LYS 5 1HZ LYS 5 -12.225 -17.245 -17.245 30 2HZ LYS 5 2HZ LYS 5 -13.477 -17.610 -17.610 31 3HZ LYS 5 3HZ LYS 5 -12.486 -16.345 -16.345 32 H GLY 6 H GLY 6 -10.851 -10.116 -10.116 33 1HA GLY 6 1HA GLY 6 -9.057 -8.994 -8.994 34 2HA GLY 6 2HA GLY 6 -9.641 -8.204 -8.204 35 H GLU 7 HN GLU 7 -12.247 -7.602 -7.602 36 HA GLU 7 HA GLU 7 -12.200 -5.313 -5.313 37 1HB GLU 7 1HB GLU 7 -13.933 -5.714 -5.714 38 2HB GLU 7 2HB GLU 7 -14.550 -7.093 -7.093 39 1HG GLU 7 1HG GLU 7 -16.012 -5.183 -5.183 40 2HG GLU 7 2HG GLU 7 -15.292 -5.607 -5.607 41 H LYS 8 HN LYS 8 -13.507 -8.564 -8.564 42 HA LYS 8 HA LYS 8 -14.205 -7.793 -7.793 43 1HB LYS 8 1HB LYS 8 -13.433 -10.554 -10.554 44 2HB LYS 8 2HB LYS 8 -14.360 -10.192 -10.192 45 1HG LYS 8 2HG LYS 8 -15.255 -9.653 -9.653 46 2HG LYS 8 1HG LYS 8 -15.764 -10.975 -10.975 47 1HD LYS 8 1HD LYS 8 -16.749 -9.310 -9.310 48 2HD LYS 8 2HD LYS 8 -16.252 -8.002 -8.002 49 1HE LYS 8 2HE LYS 8 -18.590 -8.464 -8.464 50 2HE LYS 8 1HE LYS 8 -17.668 -8.927 -8.927 51 1HZ LYS 8 3HZ LYS 8 -18.611 -10.765 -10.765 52 2HZ LYS 8 2HZ LYS 8 -19.308 -10.556 -10.556 53 3HZ LYS 8 1HZ LYS 8 -17.796 -11.198 -11.198 54 H GLU 9 HN GLU 9 -11.310 -9.353 -9.353 55 HA GLU 9 HA GLU 9 -9.853 -9.712 -9.712 56 1HB GLU 9 2HB GLU 9 -9.410 -10.652 -10.652 57 2HB GLU 9 1HB GLU 9 -8.719 -9.079 -9.079 58 1HG GLU 9 2HG GLU 9 -7.084 -9.343 -9.343 59 2HG GLU 9 1HG GLU 9 -7.766 -10.955 -10.955 60 H PHE 10 H PHE 10 -10.212 -6.867 -6.867 61 HA PHE 10 HA PHE 10 -8.256 -5.207 -5.207 62 1HB PHE 10 1HB PHE 10 -10.014 -4.813 -4.813 63 2HB PHE 10 2HB PHE 10 -11.006 -4.109 -4.109 64 HD1 PHE 10 HD1 PHE 10 -7.850 -3.810 -3.810 65 HD2 PHE 10 HD2 PHE 10 -10.323 -2.003 -2.003 66 HE1 PHE 10 HE1 PHE 10 -6.313 -1.877 -1.877 67 HE2 PHE 10 HE2 PHE 10 -8.794 -0.049 -0.049 68 HZ PHE 10 HZ PHE 10 -6.778 0.009 0.009 69 H ASN 11 H ASN 11 -11.071 -6.369 -6.369 70 HA ASN 11 HA ASN 11 -11.530 -4.433 -4.433 71 1HB ASN 11 2HB ASN 11 -12.791 -6.526 -6.526 72 2HB ASN 11 1HB ASN 11 -11.322 -7.463 -7.463 73 1HD2 ASN 11 2HD2 ASN 11 -13.086 -5.393 -5.393 74 2HD2 ASN 11 1HD2 ASN 11 -13.414 -4.889 -4.889 75 H LYS 12 HN LYS 12 -8.736 -6.625 -6.625 76 HA LYS 12 HA LYS 12 -7.535 -5.951 -5.951 77 1HB LYS 12 1HB LYS 12 -6.374 -7.134 -7.134 78 2HB LYS 12 2HB LYS 12 -5.505 -6.983 -6.983 79 1HG LYS 12 1HG LYS 12 -7.216 -8.363 -8.363 80 2HG LYS 12 2HG LYS 12 -8.092 -8.571 -8.571 81 1HD LYS 12 1HD LYS 12 -5.213 -9.483 -9.483 82 2HD LYS 12 2HD LYS 12 -6.648 -10.510 -10.510 83 1HE LYS 12 1HE LYS 12 -7.219 -10.003 -10.003 84 2HE LYS 12 2HE LYS 12 -5.686 -9.127 -9.127 85 1HZ LYS 12 3HZ LYS 12 -4.545 -11.147 -11.147 86 2HZ LYS 12 2HZ LYS 12 -5.972 -11.965 -11.965 87 3HZ LYS 12 1HZ LYS 12 -5.489 -11.354 -11.354 88 H CYS 13 H CYS 13 -6.836 -4.982 -4.982 89 HA CYS 13 HA CYS 13 -4.777 -3.135 -3.135 90 1HB CYS 13 1HB CYS 13 -6.938 -2.910 -2.910 91 2HB CYS 13 2HB CYS 13 -5.342 -2.144 -2.144 92 H LYS 14 HN LYS 14 -8.274 -2.687 -2.687 93 HA LYS 14 HA LYS 14 -8.705 -0.026 -0.026 94 1HB LYS 14 1HB LYS 14 -10.374 -1.889 -1.889 95 2HB LYS 14 2HB LYS 14 -10.087 -2.060 -2.060 96 1HG LYS 14 2HG LYS 14 -10.870 0.252 0.252 97 2HG LYS 14 1HG LYS 14 -11.119 0.435 0.435 98 1HD LYS 14 2HD LYS 14 -12.776 -1.422 -1.422 99 2HD LYS 14 1HD LYS 14 -12.520 -1.583 -1.583 100 1HE LYS 14 2HE LYS 14 -13.284 0.775 0.775 101 2HE LYS 14 1HE LYS 14 -13.556 0.917 0.917 102 1HZ LYS 14 1HZ LYS 14 -15.178 -0.827 -0.827 103 2HZ LYS 14 3HZ LYS 14 -14.921 -0.958 -0.958 104 3HZ LYS 14 2HZ LYS 14 -15.556 0.428 0.428 105 H THR 15 H THR 15 -7.424 -2.012 -2.012 106 HA THR 15 HA THR 15 -7.763 -0.288 -0.288 107 HB THR 15 HB THR 15 -5.367 -2.109 -2.109 108 HG1 THR 15 HG1 THR 15 -7.036 -3.410 -3.410 109 1HG2 THR 15 3HG2 THR 15 -6.891 -1.344 -1.344 110 2HG2 THR 15 2HG2 THR 15 -5.565 -2.520 -2.520 111 3HG2 THR 15 1HG2 THR 15 -5.250 -0.809 -0.809 112 H CYS 16 H CYS 16 -5.435 -0.141 -0.141 113 HA CYS 16 HA CYS 16 -4.087 2.215 2.215 114 1HB CYS 16 2HB CYS 16 -3.094 -0.103 -0.103 115 2HB CYS 16 1HB CYS 16 -2.169 1.392 1.392 116 H HIS 17 HN HIS 17 -5.673 0.913 0.913 117 HA HIS 17 HA HIS 17 -4.946 3.370 3.370 118 1HB HIS 17 1HB HIS 17 -5.462 0.477 0.477 119 2HB HIS 17 2HB HIS 17 -5.349 1.808 1.808 120 HD1 HIS 17 HD1 HIS 17 -3.072 3.152 3.152 121 HD2 HIS 17 HD2 HIS 17 -2.902 -0.495 -0.495 122 HE1 HIS 17 HE1 HIS 17 -0.653 2.423 2.423 123 H SER 18 H SER 18 -6.479 4.030 4.030 124 HA SER 18 HA SER 18 -9.289 3.148 3.148 125 1HB SER 18 2HB SER 18 -9.778 5.668 5.668 126 2HB SER 18 1HB SER 18 -9.000 5.005 5.005 127 HG SER 18 HG SER 18 -7.223 5.957 5.957 128 H ILE 19 H ILE 19 -10.543 4.165 4.165 129 HA ILE 19 HA ILE 19 -9.043 4.713 4.713 130 HB ILE 19 HB ILE 19 -11.124 2.509 2.509 131 1HG1 ILE 19 1HG1 ILE 19 -9.238 1.528 1.528 132 2HG1 ILE 19 2HG1 ILE 19 -8.216 2.655 2.655 133 1HG2 ILE 19 3HG2 ILE 19 -11.790 3.937 3.937 134 2HG2 ILE 19 2HG2 ILE 19 -10.167 3.687 3.687 135 3HG2 ILE 19 1HG2 ILE 19 -11.278 2.325 2.325 136 1HD1 ILE 19 1HD1 ILE 19 -8.945 1.490 1.490 137 2HD1 ILE 19 2HD1 ILE 19 -9.901 0.379 0.379 138 3HD1 ILE 19 3HD1 ILE 19 -8.142 0.433 0.433 139 H ILE 20 H ILE 20 -9.721 6.759 6.759 140 HA ILE 20 HA ILE 20 -12.530 7.481 7.481 141 HB ILE 20 HB ILE 20 -10.764 8.106 8.106 142 1HG1 ILE 20 1HG1 ILE 20 -12.013 10.688 10.688 143 2HG1 ILE 20 2HG1 ILE 20 -13.117 9.339 9.339 144 1HG2 ILE 20 2HG2 ILE 20 -9.038 8.927 8.927 145 2HG2 ILE 20 1HG2 ILE 20 -10.043 10.353 10.353 146 3HG2 ILE 20 3HG2 ILE 20 -9.360 10.014 10.014 147 1HD1 ILE 20 1HD1 ILE 20 -12.198 8.877 8.877 148 2HD1 ILE 20 2HD1 ILE 20 -11.144 10.295 10.295 149 3HD1 ILE 20 3HD1 ILE 20 -12.914 10.498 10.498 150 H ALA 21 H ALA 21 -13.499 8.805 8.805 151 HA ALA 21 HA ALA 21 -12.066 9.216 9.216 152 1HB ALA 21 1HB ALA 21 -14.529 8.810 8.810 153 2HB ALA 21 2HB ALA 21 -14.712 10.400 10.400 154 3HB ALA 21 3HB ALA 21 -14.095 10.282 10.282 155 HA PRO 22 HA PRO 22 -10.068 13.077 13.077 156 1HB PRO 22 2HB PRO 22 -11.469 14.154 14.154 157 2HB PRO 22 1HB PRO 22 -9.767 14.385 14.385 158 1HG PRO 22 1HG PRO 22 -10.366 12.512 12.512 159 2HG PRO 22 2HG PRO 22 -9.247 12.095 12.095 160 1HD PRO 22 1HD PRO 22 -12.181 11.403 11.403 161 2HD PRO 22 2HD PRO 22 -10.802 10.404 10.404 162 H ASP 23 HN ASP 23 -13.477 13.373 13.373 163 HA ASP 23 HA ASP 23 -13.995 15.908 15.908 164 1HB ASP 23 2HB ASP 23 -16.391 15.213 15.213 165 2HB ASP 23 1HB ASP 23 -15.371 15.093 15.093 166 H GLY 24 H GLY 24 -13.436 12.895 12.895 167 1HA GLY 24 1HA GLY 24 -13.380 12.809 12.809 168 2HA GLY 24 2HA GLY 24 -14.798 13.841 13.841 169 H THR 25 H THR 25 -15.756 11.749 11.749 170 HA THR 25 HA THR 25 -17.438 10.257 10.257 171 HB THR 25 HB THR 25 -16.611 9.490 9.490 172 HG1 THR 25 HG1 THR 25 -17.549 11.548 11.548 173 1HG2 THR 25 2HG2 THR 25 -19.025 8.725 8.725 174 2HG2 THR 25 3HG2 THR 25 -18.803 8.353 8.353 175 3HG2 THR 25 1HG2 THR 25 -17.725 7.627 7.627 176 H GLU 26 HN GLU 26 -16.625 9.085 9.085 177 HA GLU 26 HA GLU 26 -14.152 7.571 7.571 178 1HB GLU 26 1HB GLU 26 -14.959 7.016 7.016 179 2HB GLU 26 2HB GLU 26 -14.377 8.619 8.619 180 1HG GLU 26 2HG GLU 26 -16.320 8.673 8.673 181 2HG GLU 26 1HG GLU 26 -16.488 9.636 9.636 182 H ILE 27 H ILE 27 -14.878 6.243 6.243 183 HA ILE 27 HA ILE 27 -16.805 4.235 4.235 184 HB ILE 27 HB ILE 27 -14.011 3.907 3.907 185 1HG1 ILE 27 1HG1 ILE 27 -15.799 4.476 4.476 186 2HG1 ILE 27 2HG1 ILE 27 -16.314 5.590 5.590 187 1HG2 ILE 27 1HG2 ILE 27 -16.636 2.513 2.513 188 2HG2 ILE 27 3HG2 ILE 27 -15.107 2.319 2.319 189 3HG2 ILE 27 2HG2 ILE 27 -15.226 1.777 1.777 190 1HD1 ILE 27 1HD1 ILE 27 -13.858 6.305 6.305 191 2HD1 ILE 27 3HD1 ILE 27 -13.535 5.251 5.251 192 3HD1 ILE 27 2HD1 ILE 27 -14.620 6.646 6.646 193 H VAL 28 H VAL 28 -13.469 4.203 4.203 194 HA VAL 28 HA VAL 28 -14.363 1.954 1.954 195 HB VAL 28 HB VAL 28 -11.573 2.343 2.343 196 1HG1 VAL 28 2HG1 VAL 28 -12.713 0.396 0.396 197 2HG1 VAL 28 1HG1 VAL 28 -11.119 0.267 0.267 198 3HG1 VAL 28 3HG1 VAL 28 -11.472 1.639 1.639 199 1HG2 VAL 28 2HG2 VAL 28 -13.635 0.115 0.115 200 2HG2 VAL 28 3HG2 VAL 28 -13.081 1.230 1.230 201 3HG2 VAL 28 1HG2 VAL 28 -11.960 0.054 0.054 202 H LYS 29 HN LYS 29 -14.919 2.996 2.996 203 HA LYS 29 HA LYS 29 -13.722 5.431 5.431 204 1HB LYS 29 1HB LYS 29 -15.624 3.437 3.437 205 2HB LYS 29 2HB LYS 29 -15.282 5.087 5.087 206 1HG LYS 29 1HG LYS 29 -16.285 6.004 6.004 207 2HG LYS 29 2HG LYS 29 -16.541 4.392 4.392 208 1HD LYS 29 1HD LYS 29 -18.627 5.149 5.149 209 2HD LYS 29 2HD LYS 29 -18.051 3.825 3.825 210 1HE LYS 29 2HE LYS 29 -19.058 5.670 5.670 211 2HE LYS 29 1HE LYS 29 -17.368 5.415 5.415 212 1HZ LYS 29 1HZ LYS 29 -18.293 7.453 7.453 213 2HZ LYS 29 3HZ LYS 29 -17.994 7.742 7.742 214 3HZ LYS 29 2HZ LYS 29 -16.770 7.282 7.282 215 H GLY 30 H GLY 30 -11.541 4.060 4.060 216 1HA GLY 30 1HA GLY 30 -10.882 2.563 2.563 217 2HA GLY 30 2HA GLY 30 -10.008 2.504 2.504 218 H ALA 31 H ALA 31 -8.294 2.886 2.886 219 HA ALA 31 HA ALA 31 -8.093 5.653 5.653 220 1HB ALA 31 1HB ALA 31 -7.423 3.677 3.677 221 2HB ALA 31 3HB ALA 31 -6.131 3.358 3.358 222 3HB ALA 31 2HB ALA 31 -6.102 4.839 4.839 223 H LYS 32 HN LYS 32 -5.587 6.375 6.375 224 HA LYS 32 HA LYS 32 -4.629 6.371 6.371 225 1HB LYS 32 1HB LYS 32 -4.266 8.866 8.866 226 2HB LYS 32 2HB LYS 32 -5.918 8.310 8.310 227 1HG LYS 32 1HG LYS 32 -5.868 10.122 10.122 228 2HG LYS 32 2HG LYS 32 -6.449 8.664 8.664 229 1HD LYS 32 2HD LYS 32 -4.251 8.370 8.370 230 2HD LYS 32 1HD LYS 32 -3.582 9.723 9.723 231 1HE LYS 32 2HE LYS 32 -5.187 11.268 11.268 232 2HE LYS 32 1HE LYS 32 -5.875 9.912 9.912 233 1HZ LYS 32 1HZ LYS 32 -3.100 10.858 10.858 234 2HZ LYS 32 2HZ LYS 32 -4.285 11.135 11.135 235 3HZ LYS 32 3HZ LYS 32 -3.739 9.602 9.602 236 H THR 33 H THR 33 -3.767 4.907 4.907 237 HA THR 33 HA THR 33 -1.457 6.139 6.139 238 HB THR 33 HB THR 33 -1.936 3.173 3.173 239 HG1 THR 33 HG1 THR 33 -3.297 3.308 3.308 240 1HG2 THR 33 3HG2 THR 33 0.160 3.877 3.877 241 2HG2 THR 33 2HG2 THR 33 -0.795 4.779 4.779 242 3HG2 THR 33 1HG2 THR 33 -0.922 3.009 3.009 243 H GLY 34 H GLY 34 -2.257 4.347 4.347 244 1HA GLY 34 1HA GLY 34 0.461 4.762 4.762 245 2HA GLY 34 2HA GLY 34 -0.547 3.358 3.358 246 HA PRO 35 HA PRO 35 -1.615 7.453 7.453 247 1HB PRO 35 1HB PRO 35 -0.869 5.799 5.799 248 2HB PRO 35 2HB PRO 35 -0.571 7.535 7.535 249 1HG PRO 35 1HG PRO 35 1.355 5.606 5.606 250 2HG PRO 35 2HG PRO 35 1.341 7.047 7.047 251 1HD PRO 35 1HD PRO 35 0.590 4.240 4.240 252 2HD PRO 35 2HD PRO 35 1.293 5.504 5.504 253 H ASN 36 H ASN 36 -3.566 7.737 7.737 254 HA ASN 36 HA ASN 36 -5.506 5.629 5.629 255 1HB ASN 36 2HB ASN 36 -6.066 8.064 8.064 256 2HB ASN 36 1HB ASN 36 -5.508 8.186 8.186 257 1HD2 ASN 36 2HD2 ASN 36 -9.198 6.677 6.677 258 2HD2 ASN 36 1HD2 ASN 36 -8.079 7.056 7.056 259 H LEU 37 H LEU 37 -5.810 4.055 4.055 260 HA LEU 37 HA LEU 37 -3.851 3.842 3.842 261 1HB LEU 37 1HB LEU 37 -5.757 1.761 1.761 262 2HB LEU 37 2HB LEU 37 -4.429 1.484 1.484 263 HG LEU 37 HG LEU 37 -4.150 2.387 2.387 264 1HD1 LEU 37 3HD1 LEU 37 -4.795 0.021 0.021 265 2HD1 LEU 37 2HD1 LEU 37 -3.423 -0.221 -0.221 266 3HD1 LEU 37 1HD1 LEU 37 -3.139 0.159 0.159 267 1HD2 LEU 37 2HD2 LEU 37 -2.023 1.812 1.812 268 2HD2 LEU 37 3HD2 LEU 37 -2.293 3.365 3.365 269 3HD2 LEU 37 1HD2 LEU 37 -1.690 1.972 1.972 270 H TYR 38 H TYR 38 -6.582 5.490 5.490 271 HA TYR 38 HA TYR 38 -8.081 4.225 4.225 272 1HB TYR 38 1HB TYR 38 -8.868 6.046 6.046 273 2HB TYR 38 2HB TYR 38 -7.711 7.167 7.167 274 HD1 TYR 38 HD1 TYR 38 -8.076 8.045 8.045 275 HD2 TYR 38 HD2 TYR 38 -10.977 5.689 5.689 276 HE1 TYR 38 HE1 TYR 38 -9.767 8.639 8.639 277 HE2 TYR 38 HE2 TYR 38 -12.694 6.390 6.390 278 HH TYR 38 HH TYR 38 -13.208 7.731 7.731 279 H GLY 39 H GLY 39 -6.485 3.318 3.318 280 1HA GLY 39 1HA GLY 39 -5.659 3.382 3.382 281 2HA GLY 39 2HA GLY 39 -5.654 5.152 5.152 282 H VAL 40 H VAL 40 -4.247 2.787 2.787 283 HA VAL 40 HA VAL 40 -1.667 4.088 4.088 284 HB VAL 40 HB VAL 40 -2.691 2.546 2.546 285 1HG1 VAL 40 3HG2 VAL 40 -3.053 0.562 0.562 286 2HG1 VAL 40 1HG2 VAL 40 -1.288 0.409 0.409 287 3HG1 VAL 40 2HG2 VAL 40 -2.061 0.191 0.191 288 1HG2 VAL 40 1HG1 VAL 40 0.224 2.220 2.220 289 2HG2 VAL 40 2HG1 VAL 40 -0.448 3.520 3.520 290 3HG2 VAL 40 3HG1 VAL 40 -0.442 1.848 1.848 291 H VAL 41 H VAL 41 -3.227 1.585 1.585 292 HA VAL 41 HA VAL 41 -0.977 0.271 0.271 293 HB VAL 41 HB VAL 41 -3.771 0.692 0.692 294 1HG1 VAL 41 1HG2 VAL 41 -1.571 -1.278 -1.278 295 2HG1 VAL 41 2HG2 VAL 41 -3.255 -1.343 -1.343 296 3HG1 VAL 41 3HG2 VAL 41 -2.231 0.022 0.022 297 1HG2 VAL 41 3HG1 VAL 41 -2.468 -1.589 -1.589 298 2HG2 VAL 41 1HG1 VAL 41 -3.686 -0.476 -0.476 299 3HG2 VAL 41 2HG1 VAL 41 -4.123 -1.587 -1.587 300 H GLY 42 H GLY 42 0.546 1.035 1.035 301 1HA GLY 42 1HA GLY 42 1.541 2.095 2.095 302 2HA GLY 42 2HA GLY 42 0.071 3.034 3.034 303 H ARG 43 HN ARG 43 0.433 3.441 3.441 304 HA ARG 43 HA ARG 43 1.469 6.105 6.105 305 1HB ARG 43 2HB ARG 43 -0.216 5.171 5.171 306 2HB ARG 43 1HB ARG 43 1.189 4.593 4.593 307 1HG ARG 43 2HG ARG 43 0.662 6.647 6.647 308 2HG ARG 43 1HG ARG 43 2.070 6.992 6.992 309 1HD ARG 43 1HD ARG 43 0.372 8.763 8.763 310 2HD ARG 43 2HD ARG 43 0.603 8.017 8.017 311 HE ARG 43 HE ARG 43 -1.486 6.568 6.568 312 1HH1 ARG 43 1HH2 ARG 43 -0.985 10.009 10.009 313 2HH1 ARG 43 2HH2 ARG 43 -2.658 10.299 10.299 314 1HH2 ARG 43 2HH1 ARG 43 -3.545 6.878 6.878 315 2HH2 ARG 43 1HH1 ARG 43 -4.185 8.466 8.466 316 H THR 44 H THR 44 3.568 6.881 6.881 317 HA THR 44 HA THR 44 5.751 5.081 5.081 318 HB THR 44 HB THR 44 5.766 8.002 8.002 319 HG1 THR 44 HG1 THR 44 5.697 6.768 6.768 320 1HG2 THR 44 1HG2 THR 44 7.865 6.270 6.270 321 2HG2 THR 44 2HG2 THR 44 7.992 8.001 8.001 322 3HG2 THR 44 3HG2 THR 44 7.916 6.833 6.833 323 H ALA 45 H ALA 45 6.971 4.234 4.234 324 HA ALA 45 HA ALA 45 5.546 3.956 3.956 325 1HB ALA 45 3HB ALA 45 8.475 3.488 3.488 326 2HB ALA 45 1HB ALA 45 7.758 3.202 3.202 327 3HB ALA 45 2HB ALA 45 7.156 2.300 2.300 328 H GLY 46 H GLY 46 5.394 5.123 5.123 329 1HA GLY 46 1HA GLY 46 5.732 6.762 6.762 330 2HA GLY 46 2HA GLY 46 7.344 7.027 7.027 331 H THR 47 H THR 47 4.327 7.414 7.414 332 HA THR 47 HA THR 47 4.641 10.391 10.391 333 HB THR 47 HB THR 47 4.424 10.681 10.681 334 HG1 THR 47 HG1 THR 47 4.308 7.852 7.852 335 1HG2 THR 47 3HG2 THR 47 6.724 10.294 10.294 336 2HG2 THR 47 1HG2 THR 47 6.596 8.592 8.592 337 3HG2 THR 47 2HG2 THR 47 6.544 9.876 9.876 338 H TYR 48 H TYR 48 2.376 8.061 8.061 339 HA TYR 48 HA TYR 48 0.158 9.179 9.179 340 1HB TYR 48 2HB TYR 48 0.218 6.917 6.917 341 2HB TYR 48 1HB TYR 48 -0.084 7.805 7.805 342 HD1 TYR 48 HD2 TYR 48 -2.177 9.267 9.267 343 HD2 TYR 48 HD1 TYR 48 -1.577 6.429 6.429 344 HE1 TYR 48 HE2 TYR 48 -4.480 9.667 9.667 345 HE2 TYR 48 HE1 TYR 48 -3.876 6.768 6.768 346 HH TYR 48 HH TYR 48 -5.842 7.926 7.926 347 HA PRO 49 HA PRO 49 0.445 13.088 13.088 348 1HB PRO 49 1HB PRO 49 -2.179 14.054 14.054 349 2HB PRO 49 2HB PRO 49 -0.938 14.066 14.066 350 1HG PRO 49 2HG PRO 49 -3.098 12.005 12.005 351 2HG PRO 49 1HG PRO 49 -2.661 12.789 12.789 352 1HD PRO 49 1HD PRO 49 -1.744 10.347 10.347 353 2HD PRO 49 2HD PRO 49 -0.607 11.539 11.539 354 H GLU 50 HN GLU 50 -0.210 14.401 14.401 355 HA GLU 50 HA GLU 50 -0.279 14.633 14.633 356 1HB GLU 50 2HB GLU 50 -3.029 13.509 13.509 357 2HB GLU 50 1HB GLU 50 -2.591 14.153 14.153 358 1HG GLU 50 1HG GLU 50 -3.684 15.905 15.905 359 2HG GLU 50 2HG GLU 50 -1.982 16.339 16.339 360 H PHE 51 H PHE 51 1.486 12.898 12.898 361 HA PHE 51 HA PHE 51 0.919 11.419 11.419 362 1HB PHE 51 2HB PHE 51 0.040 9.850 9.850 363 2HB PHE 51 1HB PHE 51 1.676 9.766 9.766 364 HD1 PHE 51 HD1 PHE 51 -0.536 8.991 8.991 365 HD2 PHE 51 HD2 PHE 51 3.489 8.678 8.678 366 HE1 PHE 51 HE1 PHE 51 0.056 7.489 7.489 367 HE2 PHE 51 HE2 PHE 51 4.060 7.123 7.123 368 HZ PHE 51 HZ PHE 51 2.321 6.470 6.470 369 H LYS 52 HN LYS 52 2.685 11.599 11.599 370 HA LYS 52 HA LYS 52 5.213 12.497 12.497 371 1HB LYS 52 1HB LYS 52 4.444 13.507 13.507 372 2HB LYS 52 2HB LYS 52 4.316 11.935 11.935 373 1HG LYS 52 2HG LYS 52 6.276 13.187 13.187 374 2HG LYS 52 1HG LYS 52 6.734 11.651 11.651 375 1HD LYS 52 2HD LYS 52 7.330 12.819 12.819 376 2HD LYS 52 1HD LYS 52 6.859 14.373 14.373 377 1HE LYS 52 2HE LYS 52 9.073 12.500 12.500 378 2HE LYS 52 1HE LYS 52 9.315 13.964 13.964 379 1HZ LYS 52 1HZ LYS 52 8.365 15.233 15.233 380 2HZ LYS 52 3HZ LYS 52 8.191 13.872 13.872 381 3HZ LYS 52 2HZ LYS 52 9.694 14.394 14.394 382 H TYR 53 H TYR 53 6.004 10.786 10.786 383 HA TYR 53 HA TYR 53 6.350 8.095 8.095 384 1HB TYR 53 2HB TYR 53 7.653 9.381 9.381 385 2HB TYR 53 1HB TYR 53 7.552 7.666 7.666 386 HD1 TYR 53 HD1 TYR 53 5.500 6.369 6.369 387 HD2 TYR 53 HD2 TYR 53 5.698 10.507 10.507 388 HE1 TYR 53 HE1 TYR 53 3.448 6.086 6.086 389 HE2 TYR 53 HE2 TYR 53 3.530 10.261 10.261 390 HH TYR 53 HH TYR 53 1.735 8.896 8.896 391 H LYS 54 HN LYS 54 8.771 7.349 7.349 392 HA LYS 54 HA LYS 54 10.735 8.897 8.897 393 1HB LYS 54 2HB LYS 54 11.088 5.978 5.978 394 2HB LYS 54 1HB LYS 54 11.532 6.949 6.949 395 1HG LYS 54 1HG LYS 54 8.684 6.070 6.070 396 2HG LYS 54 2HG LYS 54 9.734 5.263 5.263 397 1HD LYS 54 2HD LYS 54 9.650 7.012 7.012 398 2HD LYS 54 1HD LYS 54 9.156 8.220 8.220 399 1HE LYS 54 2HE LYS 54 7.287 7.589 7.589 400 2HE LYS 54 1HE LYS 54 6.936 7.263 7.263 401 1HZ LYS 54 3HZ LYS 54 7.841 5.252 5.252 402 2HZ LYS 54 2HZ LYS 54 6.287 5.465 5.465 403 3HZ LYS 54 1HZ LYS 54 7.443 4.979 4.979 404 H ASP 55 HN ASP 55 12.973 8.177 8.177 405 HA ASP 55 HA ASP 55 13.455 9.071 9.071 406 1HB ASP 55 2HB ASP 55 15.024 9.385 9.385 407 2HB ASP 55 1HB ASP 55 15.264 7.630 7.630 408 H SER 56 H SER 56 13.058 5.719 5.719 409 HA SER 56 HA SER 56 14.711 4.372 4.372 410 1HB SER 56 2HB SER 56 13.114 2.510 2.510 411 2HB SER 56 1HB SER 56 14.225 3.354 3.354 412 HG SER 56 HG SER 56 11.915 3.218 3.218 413 H ILE 57 H ILE 57 11.266 4.419 4.419 414 HA ILE 57 HA ILE 57 10.541 3.207 3.207 415 HB ILE 57 HB ILE 57 9.356 3.351 3.351 416 1HG1 ILE 57 1HG1 ILE 57 7.579 3.942 3.942 417 2HG1 ILE 57 2HG1 ILE 57 8.435 2.410 2.410 418 1HG2 ILE 57 3HG2 ILE 57 9.331 5.783 5.783 419 2HG2 ILE 57 2HG2 ILE 57 8.169 5.941 5.941 420 3HG2 ILE 57 1HG2 ILE 57 7.724 5.076 5.076 421 1HD1 ILE 57 3HD1 ILE 57 7.232 2.048 2.048 422 2HD1 ILE 57 1HD1 ILE 57 6.259 3.503 3.503 423 3HD1 ILE 57 2HD1 ILE 57 6.178 2.109 2.109 424 H VAL 58 H VAL 58 10.792 6.661 6.661 425 HA VAL 58 HA VAL 58 9.859 7.695 7.695 426 HB VAL 58 HB VAL 58 11.788 8.757 8.757 427 1HG1 VAL 58 3HG2 VAL 58 10.649 10.194 10.194 428 2HG1 VAL 58 1HG2 VAL 58 11.422 10.998 10.998 429 3HG1 VAL 58 2HG2 VAL 58 12.367 9.910 9.910 430 1HG2 VAL 58 3HG1 VAL 58 9.321 8.447 8.447 431 2HG2 VAL 58 2HG1 VAL 58 9.875 10.129 10.129 432 3HG2 VAL 58 1HG1 VAL 58 8.927 9.565 9.565 433 H ALA 59 H ALA 59 13.223 6.802 6.802 434 HA ALA 59 HA ALA 59 14.464 7.485 7.485 435 1HB ALA 59 3HB ALA 59 15.729 7.053 7.053 436 2HB ALA 59 2HB ALA 59 15.259 5.339 5.339 437 3HB ALA 59 1HB ALA 59 16.295 6.005 6.005 438 H LEU 60 H LEU 60 13.045 4.367 4.367 439 HA LEU 60 HA LEU 60 13.709 2.864 2.864 440 1HB LEU 60 1HB LEU 60 12.776 2.058 2.058 441 2HB LEU 60 2HB LEU 60 11.199 2.673 2.673 442 HG LEU 60 HG LEU 60 11.955 0.098 0.098 443 1HD1 LEU 60 2HD1 LEU 60 10.037 1.602 1.602 444 2HD1 LEU 60 3HD1 LEU 60 10.078 -0.168 -0.168 445 3HD1 LEU 60 1HD1 LEU 60 9.700 0.887 0.887 446 1HD2 LEU 60 1HD2 LEU 60 13.670 0.543 0.543 447 2HD2 LEU 60 2HD2 LEU 60 12.335 -0.468 -0.468 448 3HD2 LEU 60 3HD2 LEU 60 12.403 1.219 1.219 449 H GLY 61 H GLY 61 10.823 4.845 4.845 450 1HA GLY 61 1HA GLY 61 9.480 4.673 4.673 451 2HA GLY 61 2HA GLY 61 9.480 6.080 6.080 452 H ALA 62 H ALA 62 11.814 7.159 7.159 453 HA ALA 62 HA ALA 62 11.990 8.631 8.631 454 1HB ALA 62 1HB ALA 62 12.806 9.381 9.381 455 2HB ALA 62 3HB ALA 62 14.146 8.215 8.215 456 3HB ALA 62 2HB ALA 62 14.040 9.556 9.556 457 H SER 63 H SER 63 13.582 5.573 5.573 458 HA SER 63 HA SER 63 15.543 5.671 5.671 459 1HB SER 63 1HB SER 63 14.312 3.211 3.211 460 2HB SER 63 2HB SER 63 15.837 3.313 3.313 461 HG SER 63 HG SER 63 15.242 4.752 4.752 462 H GLY 64 H GLY 64 12.176 5.589 5.589 463 1HA GLY 64 1HA GLY 64 11.112 5.732 5.732 464 2HA GLY 64 2HA GLY 64 12.305 4.650 4.650 465 H PHE 65 H PHE 65 10.617 4.223 4.223 466 HA PHE 65 HA PHE 65 9.540 1.628 1.628 467 1HB PHE 65 1HB PHE 65 11.045 1.492 1.492 468 2HB PHE 65 2HB PHE 65 10.039 2.607 2.607 469 HD1 PHE 65 HD1 PHE 65 7.731 1.994 1.994 470 HD2 PHE 65 HD2 PHE 65 10.331 -0.870 -0.870 471 HE1 PHE 65 HE1 PHE 65 6.412 0.165 0.165 472 HE2 PHE 65 HE2 PHE 65 8.916 -2.709 -2.709 473 HZ PHE 65 HZ PHE 65 7.046 -2.176 -2.176 474 H ALA 66 H ALA 66 7.464 1.460 1.460 475 HA ALA 66 HA ALA 66 5.435 3.203 3.203 476 1HB ALA 66 3HB ALA 66 5.471 2.042 2.042 477 2HB ALA 66 1HB ALA 66 4.106 2.890 2.890 478 3HB ALA 66 2HB ALA 66 5.618 3.763 3.763 479 H TRP 67 H TRP 67 3.855 2.014 2.014 480 HA TRP 67 HA TRP 67 4.329 -0.699 -0.699 481 1HB TRP 67 1HB TRP 67 2.114 1.332 1.332 482 2HB TRP 67 2HB TRP 67 1.931 -0.307 -0.307 483 HD1 TRP 67 HD1 TRP 67 2.836 2.744 2.744 484 HE1 TRP 67 HE1 TRP 67 4.114 2.360 2.360 485 HE3 TRP 67 HE3 TRP 67 4.029 -2.207 -2.207 486 HZ2 TRP 67 HZ2 TRP 67 5.482 0.240 0.240 487 HZ3 TRP 67 HZ3 TRP 67 5.423 -3.342 -3.342 488 HH2 TRP 67 HH2 TRP 67 6.214 -2.121 -2.121 489 H THR 68 H THR 68 3.187 -2.463 -2.463 490 HA THR 68 HA THR 68 1.290 -2.374 -2.374 491 HB THR 68 HB THR 68 2.325 -4.385 -4.385 492 HG1 THR 68 HG1 THR 68 4.606 -4.196 -4.196 493 1HG2 THR 68 2HG2 THR 68 3.202 -2.231 -2.231 494 2HG2 THR 68 1HG2 THR 68 4.501 -2.295 -2.295 495 3HG2 THR 68 3HG2 THR 68 4.410 -3.535 -3.535 496 H GLU 69 HN GLU 69 0.026 -4.553 -4.553 497 HA GLU 69 HA GLU 69 -1.007 -5.175 -5.175 498 1HB GLU 69 2HB GLU 69 -0.746 -6.767 -6.767 499 2HB GLU 69 1HB GLU 69 -1.895 -7.121 -7.121 500 1HG GLU 69 2HG GLU 69 -1.882 -4.378 -4.378 501 2HG GLU 69 1HG GLU 69 -2.713 -5.765 -5.765 502 H GLU 70 HN GLU 70 1.654 -6.699 -6.699 503 HA GLU 70 HA GLU 70 1.896 -8.964 -8.964 504 1HB GLU 70 1HB GLU 70 3.955 -9.464 -9.464 505 2HB GLU 70 2HB GLU 70 2.578 -9.187 -9.187 506 1HG GLU 70 2HG GLU 70 3.431 -6.931 -6.931 507 2HG GLU 70 1HG GLU 70 4.839 -7.203 -7.203 508 H ASP 71 HN ASP 71 3.681 -5.863 -5.863 509 HA ASP 71 HA ASP 71 5.524 -6.390 -6.390 510 1HB ASP 71 1HB ASP 71 4.489 -3.783 -3.783 511 2HB ASP 71 2HB ASP 71 5.754 -3.918 -3.918 512 H ILE 72 H ILE 72 2.328 -4.711 -4.711 513 HA ILE 72 HA ILE 72 2.341 -4.020 -4.020 514 HB ILE 72 HB ILE 72 0.068 -4.690 -4.690 515 1HG1 ILE 72 2HG1 ILE 72 0.833 -1.961 -1.961 516 2HG1 ILE 72 1HG1 ILE 72 1.605 -2.597 -2.597 517 1HG2 ILE 72 2HG2 ILE 72 -0.072 -3.529 -3.529 518 2HG2 ILE 72 1HG2 ILE 72 -1.425 -3.550 -3.550 519 3HG2 ILE 72 3HG2 ILE 72 -0.775 -5.066 -5.066 520 1HD1 ILE 72 1HD1 ILE 72 -0.654 -2.909 -2.909 521 2HD1 ILE 72 2HD1 ILE 72 -1.373 -2.069 -2.069 522 3HD1 ILE 72 3HD1 ILE 72 -0.222 -1.228 -1.228 523 H ALA 73 H ALA 73 0.998 -6.933 -6.933 524 HA ALA 73 HA ALA 73 0.105 -8.304 -8.304 525 1HB ALA 73 3HB ALA 73 -0.367 -8.994 -8.994 526 2HB ALA 73 2HB ALA 73 1.328 -9.471 -9.471 527 3HB ALA 73 1HB ALA 73 0.315 -10.338 -10.338 528 H THR 74 H THR 74 3.391 -8.362 -8.362 529 HA THR 74 HA THR 74 4.505 -10.230 -10.230 530 HB THR 74 HB THR 74 5.986 -8.120 -8.120 531 HG1 THR 74 HG1 THR 74 4.686 -9.311 -9.311 532 1HG2 THR 74 2HG2 THR 74 7.340 -9.416 -9.416 533 2HG2 THR 74 1HG2 THR 74 6.788 -10.916 -10.916 534 3HG2 THR 74 3HG2 THR 74 7.803 -9.783 -9.783 535 H TYR 75 H TYR 75 4.420 -6.648 -6.648 536 HA TYR 75 HA TYR 75 6.069 -6.158 -6.158 537 1HB TYR 75 1HB TYR 75 5.467 -4.423 -4.423 538 2HB TYR 75 2HB TYR 75 3.750 -4.613 -4.613 539 HD1 TYR 75 HD1 TYR 75 6.965 -3.710 -3.710 540 HD2 TYR 75 HD2 TYR 75 2.690 -3.237 -3.237 541 HE1 TYR 75 HE1 TYR 75 7.109 -1.948 -1.948 542 HE2 TYR 75 HE2 TYR 75 2.836 -1.516 -1.516 543 HH TYR 75 HH TYR 75 4.159 -0.596 -0.596 544 H VAL 76 H VAL 76 2.455 -6.487 -6.487 545 HA VAL 76 HA VAL 76 2.279 -6.167 -6.167 546 HB VAL 76 HB VAL 76 0.126 -7.343 -7.343 547 1HG1 VAL 76 3HG1 VAL 76 0.615 -5.187 -5.187 548 2HG1 VAL 76 1HG1 VAL 76 -0.963 -5.646 -5.646 549 3HG1 VAL 76 2HG1 VAL 76 0.253 -4.930 -4.930 550 1HG2 VAL 76 3HG2 VAL 76 0.523 -8.973 -8.973 551 2HG2 VAL 76 1HG2 VAL 76 -0.876 -7.934 -7.934 552 3HG2 VAL 76 2HG2 VAL 76 0.639 -7.631 -7.631 553 H LYS 77 HN LYS 77 2.819 -9.203 -9.203 554 HA LYS 77 HA LYS 77 2.881 -10.872 -10.872 555 1HB LYS 77 1HB LYS 77 4.319 -11.161 -11.161 556 2HB LYS 77 2HB LYS 77 4.156 -12.426 -12.426 557 1HG LYS 77 2HG LYS 77 1.646 -12.089 -12.089 558 2HG LYS 77 1HG LYS 77 1.889 -11.137 -11.137 559 1HD LYS 77 2HD LYS 77 2.803 -14.030 -14.030 560 2HD LYS 77 1HD LYS 77 1.380 -13.530 -13.530 561 1HE LYS 77 1HE LYS 77 4.245 -12.788 -12.788 562 2HE LYS 77 2HE LYS 77 3.293 -14.084 -14.084 563 1HZ LYS 77 2HZ LYS 77 2.554 -11.248 -11.248 564 2HZ LYS 77 3HZ LYS 77 3.220 -12.086 -12.086 565 3HZ LYS 77 1HZ LYS 77 1.716 -12.480 -12.480 566 H ASP 78 HN ASP 78 5.302 -8.503 -8.503 567 HA ASP 78 HA ASP 78 6.970 -9.324 -9.324 568 1HB ASP 78 1HB ASP 78 7.539 -10.946 -10.946 569 2HB ASP 78 2HB ASP 78 8.436 -9.561 -9.561 570 HA PRO 79 HA PRO 79 7.183 -4.826 -4.826 571 1HB PRO 79 1HB PRO 79 7.140 -3.946 -3.946 572 2HB PRO 79 2HB PRO 79 5.713 -4.099 -4.099 573 1HG PRO 79 1HG PRO 79 6.843 -6.099 -6.099 574 2HG PRO 79 2HG PRO 79 5.150 -5.555 -5.555 575 1HD PRO 79 1HD PRO 79 5.859 -7.876 -7.876 576 2HD PRO 79 2HD PRO 79 4.908 -6.726 -6.726 577 H GLY 80 H GLY 80 9.064 -3.667 -3.667 578 1HA GLY 80 1HA GLY 80 11.181 -2.936 -2.936 579 2HA GLY 80 2HA GLY 80 11.227 -4.185 -4.185 580 H ALA 81 H ALA 81 11.043 -6.526 -6.526 581 HA ALA 81 HA ALA 81 13.401 -7.050 -7.050 582 1HB ALA 81 2HB ALA 81 12.076 -8.760 -8.760 583 2HB ALA 81 3HB ALA 81 10.857 -8.692 -8.692 584 3HB ALA 81 1HB ALA 81 12.488 -9.288 -9.288 585 H PHE 82 H PHE 82 10.031 -6.722 -6.722 586 HA PHE 82 HA PHE 82 10.376 -7.024 -7.024 587 1HB PHE 82 2HB PHE 82 8.203 -6.601 -6.601 588 2HB PHE 82 1HB PHE 82 8.722 -4.984 -4.984 589 HD1 PHE 82 HD1 PHE 82 8.024 -7.238 -7.238 590 HD2 PHE 82 HD2 PHE 82 8.588 -3.174 -3.174 591 HE1 PHE 82 HE1 PHE 82 7.810 -6.473 -6.473 592 HE2 PHE 82 HE2 PHE 82 8.564 -2.428 -2.428 593 HZ PHE 82 HZ PHE 82 8.277 -4.107 -4.107 594 H LEU 83 H LEU 83 11.089 -4.011 -4.011 595 HA LEU 83 HA LEU 83 11.588 -2.367 -2.367 596 1HB LEU 83 2HB LEU 83 12.265 -2.129 -2.129 597 2HB LEU 83 1HB LEU 83 12.475 -0.880 -0.880 598 HG LEU 83 HG LEU 83 9.794 -2.076 -2.076 599 1HD1 LEU 83 2HD1 LEU 83 11.150 0.584 0.584 600 2HD1 LEU 83 1HD1 LEU 83 9.466 0.171 0.171 601 3HD1 LEU 83 3HD1 LEU 83 10.788 -0.731 -0.731 602 1HD2 LEU 83 1HD2 LEU 83 10.638 0.206 0.206 603 2HD2 LEU 83 3HD2 LEU 83 9.805 -1.282 -1.282 604 3HD2 LEU 83 2HD2 LEU 83 8.955 -0.114 -0.114 605 H LYS 84 HN LYS 84 13.443 -3.793 -3.793 606 HA LYS 84 HA LYS 84 16.068 -3.205 -3.205 607 1HB LYS 84 2HB LYS 84 15.067 -5.769 -5.769 608 2HB LYS 84 1HB LYS 84 16.767 -5.275 -5.275 609 1HG LYS 84 2HG LYS 84 16.359 -3.302 -3.302 610 2HG LYS 84 1HG LYS 84 14.624 -3.542 -3.542 611 1HD LYS 84 1HD LYS 84 15.373 -4.211 -4.211 612 2HD LYS 84 2HD LYS 84 14.783 -5.613 -5.613 613 1HE LYS 84 2HE LYS 84 16.877 -6.105 -6.105 614 2HE LYS 84 1HE LYS 84 17.124 -6.306 -6.306 615 1HZ LYS 84 2HZ LYS 84 17.857 -3.910 -3.910 616 2HZ LYS 84 1HZ LYS 84 18.898 -5.092 -5.092 617 3HZ LYS 84 3HZ LYS 84 18.138 -4.140 -4.140 618 H GLU 85 HN GLU 85 14.133 -6.032 -6.032 619 HA GLU 85 HA GLU 85 15.929 -7.278 -7.278 620 1HB GLU 85 1HB GLU 85 13.654 -8.072 -8.072 621 2HB GLU 85 2HB GLU 85 12.942 -6.881 -6.881 622 1HG GLU 85 1HG GLU 85 14.073 -8.008 -8.008 623 2HG GLU 85 2HG GLU 85 14.744 -9.202 -9.202 624 H LYS 86 HN LYS 86 13.970 -4.336 -4.336 625 HA LYS 86 HA LYS 86 14.862 -4.372 -4.372 626 1HB LYS 86 1HB LYS 86 12.958 -2.605 -2.605 627 2HB LYS 86 2HB LYS 86 13.224 -2.503 -2.503 628 1HG LYS 86 1HG LYS 86 12.256 -5.063 -5.063 629 2HG LYS 86 2HG LYS 86 11.157 -3.790 -3.790 630 1HD LYS 86 1HD LYS 86 11.617 -4.076 -4.076 631 2HD LYS 86 2HD LYS 86 13.139 -4.921 -4.921 632 1HE LYS 86 2HE LYS 86 11.387 -6.475 -6.475 633 2HE LYS 86 1HE LYS 86 12.009 -6.889 -6.889 634 1HZ LYS 86 2HZ LYS 86 10.083 -5.835 -5.835 635 2HZ LYS 86 1HZ LYS 86 9.469 -5.505 -5.505 636 3HZ LYS 86 3HZ LYS 86 9.664 -7.062 -7.062 637 H LEU 87 H LEU 87 15.122 -2.309 -2.309 638 HA LEU 87 HA LEU 87 16.706 -0.357 -0.357 639 1HB LEU 87 2HB LEU 87 14.861 -0.014 -0.014 640 2HB LEU 87 1HB LEU 87 16.105 -0.351 -0.351 641 HG LEU 87 HG LEU 87 15.385 2.075 2.075 642 1HD1 LEU 87 3HD1 LEU 87 17.130 1.658 1.658 643 2HD1 LEU 87 2HD1 LEU 87 18.333 1.456 1.456 644 3HD1 LEU 87 1HD1 LEU 87 17.548 3.020 3.020 645 1HD2 LEU 87 3HD2 LEU 87 15.798 1.814 1.814 646 2HD2 LEU 87 1HD2 LEU 87 16.603 3.201 3.201 647 3HD2 LEU 87 2HD2 LEU 87 17.542 1.756 1.756 648 H ASP 88 HN ASP 88 17.449 -3.160 -3.160 649 HA ASP 88 HA ASP 88 19.272 -4.039 -4.039 650 1HB ASP 88 2HB ASP 88 19.735 -4.255 -4.255 651 2HB ASP 88 1HB ASP 88 20.357 -2.607 -2.607 652 H ASP 89 HN ASP 89 18.691 -2.394 -2.394 653 HA ASP 89 HA ASP 89 21.162 -1.051 -1.051 654 1HB ASP 89 1HB ASP 89 19.854 0.676 0.676 655 2HB ASP 89 2HB ASP 89 18.391 0.140 0.140 656 H LYS 90 HN LYS 90 21.182 -0.801 -0.801 657 HA LYS 90 HA LYS 90 20.108 -3.034 -3.034 658 1HB LYS 90 1HB LYS 90 22.353 -1.493 -1.493 659 2HB LYS 90 2HB LYS 90 21.384 -0.619 -0.619 660 1HG LYS 90 1HG LYS 90 20.943 -2.736 -2.736 661 2HG LYS 90 2HG LYS 90 21.998 -3.605 -3.605 662 1HD LYS 90 1HD LYS 90 23.884 -2.081 -2.081 663 2HD LYS 90 2HD LYS 90 22.852 -1.282 -1.282 664 1HE LYS 90 2HE LYS 90 23.641 -4.240 -4.240 665 2HE LYS 90 1HE LYS 90 24.362 -2.974 -2.974 666 1HZ LYS 90 2HZ LYS 90 22.217 -2.624 -2.624 667 2HZ LYS 90 1HZ LYS 90 21.556 -3.828 -3.828 668 3HZ LYS 90 3HZ LYS 90 22.719 -4.180 -4.180 669 H LYS 91 HN LYS 91 19.894 0.448 0.448 670 HA LYS 91 HA LYS 91 17.861 0.718 0.718 671 1HB LYS 91 2HB LYS 91 19.873 2.278 2.278 672 2HB LYS 91 1HB LYS 91 18.823 2.884 2.884 673 1HG LYS 91 1HG LYS 91 17.131 3.429 3.429 674 2HG LYS 91 2HG LYS 91 18.462 3.017 3.017 675 1HD LYS 91 2HD LYS 91 18.533 5.374 5.374 676 2HD LYS 91 1HD LYS 91 19.861 4.762 4.762 677 1HE LYS 91 2HE LYS 91 18.415 5.013 5.013 678 2HE LYS 91 1HE LYS 91 17.071 5.540 5.540 679 1HZ LYS 91 2HZ LYS 91 18.384 7.432 7.432 680 2HZ LYS 91 3HZ LYS 91 19.636 6.924 6.924 681 3HZ LYS 91 1HZ LYS 91 18.196 7.342 7.342 682 H ALA 92 H ALA 92 17.237 -0.505 -0.505 683 HA ALA 92 HA ALA 92 15.034 1.249 1.249 684 1HB ALA 92 1HB ALA 92 15.991 -1.421 -1.421 685 2HB ALA 92 2HB ALA 92 14.610 -0.524 -0.524 686 3HB ALA 92 3HB ALA 92 16.224 0.186 0.186 687 H LYS 93 HN LYS 93 14.273 1.057 1.057 688 HA LYS 93 HA LYS 93 12.518 -1.338 -1.338 689 1HB LYS 93 1HB LYS 93 13.447 0.837 0.837 690 2HB LYS 93 2HB LYS 93 12.460 -0.577 -0.577 691 1HG LYS 93 2HG LYS 93 14.311 -2.076 -2.076 692 2HG LYS 93 1HG LYS 93 15.313 -0.657 -0.657 693 1HD LYS 93 2HD LYS 93 15.192 0.049 0.049 694 2HD LYS 93 1HD LYS 93 14.143 -1.330 -1.330 695 1HE LYS 93 2HE LYS 93 16.418 -1.840 -1.840 696 2HE LYS 93 1HE LYS 93 15.959 -2.903 -2.903 697 1HZ LYS 93 3HZ LYS 93 17.566 -0.453 -0.453 698 2HZ LYS 93 1HZ LYS 93 18.168 -1.985 -1.985 699 3HZ LYS 93 2HZ LYS 93 17.223 -1.519 -1.519 700 H THR 94 H THR 94 10.349 -0.693 -0.693 701 HA THR 94 HA THR 94 9.207 1.827 1.827 702 HB THR 94 HB THR 94 8.396 0.223 0.223 703 HG1 THR 94 HG1 THR 94 6.213 0.146 0.146 704 1HG2 THR 94 3HG2 THR 94 7.764 -1.637 -1.637 705 2HG2 THR 94 2HG2 THR 94 7.324 -1.908 -1.908 706 3HG2 THR 94 1HG2 THR 94 9.028 -1.893 -1.893 707 H GLY 95 H GLY 95 7.481 2.512 2.512 708 1HA GLY 95 1HA GLY 95 7.788 1.825 1.825 709 2HA GLY 95 2HA GLY 95 6.554 2.874 2.874 710 H MET 96 H MET 96 6.126 0.385 0.385 711 HA MET 96 HA MET 96 3.815 -0.482 -0.482 712 1HB MET 96 2HB MET 96 4.330 -0.256 -0.256 713 2HB MET 96 1HB MET 96 5.089 -1.852 -1.852 714 1HG MET 96 2HG MET 96 2.901 -2.764 -2.764 715 2HG MET 96 1HG MET 96 2.356 -1.231 -1.231 716 1HE MET 96 2HE MET 96 3.160 -3.992 -3.992 717 2HE MET 96 1HE MET 96 1.434 -4.151 -4.151 718 3HE MET 96 3HE MET 96 1.920 -3.673 -3.673 719 H ALA 97 H ALA 97 4.786 -1.207 -1.207 720 HA ALA 97 HA ALA 97 5.996 -3.839 -3.839 721 1HB ALA 97 1HB ALA 97 6.344 -2.131 -2.131 722 2HB ALA 97 3HB ALA 97 4.619 -2.194 -2.194 723 3HB ALA 97 2HB ALA 97 5.653 -3.616 -3.616 724 H PHE 98 H PHE 98 4.066 -4.379 -4.379 725 HA PHE 98 HA PHE 98 2.301 -6.238 -6.238 726 1HB PHE 98 2HB PHE 98 0.879 -4.327 -4.327 727 2HB PHE 98 1HB PHE 98 1.252 -3.910 -3.910 728 HD1 PHE 98 HD2 PHE 98 -0.695 -6.174 -6.174 729 HD2 PHE 98 HD1 PHE 98 0.259 -5.154 -5.154 730 HE1 PHE 98 HE2 PHE 98 -2.601 -7.543 -7.543 731 HE2 PHE 98 HE1 PHE 98 -1.590 -6.591 -6.591 732 HZ PHE 98 HZ PHE 98 -3.049 -7.762 -7.762 733 H LYS 99 HN LYS 99 2.502 -8.071 -8.071 734 HA LYS 99 HA LYS 99 3.189 -8.001 -8.001 735 1HB LYS 99 2HB LYS 99 3.660 -10.412 -10.412 736 2HB LYS 99 1HB LYS 99 4.259 -10.021 -10.021 737 1HG LYS 99 1HG LYS 99 5.417 -7.985 -7.985 738 2HG LYS 99 2HG LYS 99 5.192 -8.977 -8.977 739 1HD LYS 99 2HD LYS 99 6.427 -10.842 -10.842 740 2HD LYS 99 1HD LYS 99 6.531 -9.969 -9.969 741 1HE LYS 99 1HE LYS 99 7.862 -8.162 -8.162 742 2HE LYS 99 2HE LYS 99 7.864 -9.156 -9.156 743 1HZ LYS 99 2HZ LYS 99 8.967 -10.869 -10.869 744 2HZ LYS 99 1HZ LYS 99 8.994 -9.876 -9.876 745 3HZ LYS 99 3HZ LYS 99 9.835 -9.468 -9.468 746 H LEU 100 H LEU 100 2.336 -10.324 -10.324 747 HA LEU 100 HA LEU 100 -0.431 -10.810 -10.810 748 1HB LEU 100 1HB LEU 100 -0.121 -9.084 -9.084 749 2HB LEU 100 2HB LEU 100 0.409 -10.481 -10.481 750 HG LEU 100 HG LEU 100 -1.908 -11.542 -11.542 751 1HD1 LEU 100 2HD1 LEU 100 -2.424 -8.546 -8.546 752 2HD1 LEU 100 3HD1 LEU 100 -3.658 -9.817 -9.817 753 3HD1 LEU 100 1HD1 LEU 100 -2.491 -9.676 -9.676 754 1HD2 LEU 100 1HD2 LEU 100 -1.258 -11.174 -11.174 755 2HD2 LEU 100 3HD2 LEU 100 -2.961 -10.789 -10.789 756 3HD2 LEU 100 2HD2 LEU 100 -1.778 -9.469 -9.469 757 H ALA 101 H ALA 101 -1.184 -12.845 -12.845 758 HA ALA 101 HA ALA 101 1.017 -14.834 -14.834 759 1HB ALA 101 3HB ALA 101 0.104 -14.980 -14.980 760 2HB ALA 101 2HB ALA 101 -1.542 -15.130 -15.130 761 3HB ALA 101 1HB ALA 101 -0.332 -16.404 -16.404 762 H LYS 102 HN LYS 102 0.076 -13.474 -13.474 763 HA LYS 102 HA LYS 102 -0.558 -13.818 -13.818 764 1HB LYS 102 1HB LYS 102 -1.815 -16.486 -16.486 765 2HB LYS 102 2HB LYS 102 -1.530 -15.834 -15.834 766 1HG LYS 102 1HG LYS 102 0.861 -15.960 -15.960 767 2HG LYS 102 2HG LYS 102 0.733 -16.360 -16.360 768 1HD LYS 102 1HD LYS 102 1.288 -18.318 -18.318 769 2HD LYS 102 2HD LYS 102 -0.267 -18.526 -18.526 770 1HE LYS 102 2HE LYS 102 -0.113 -17.585 -17.585 771 2HE LYS 102 1HE LYS 102 0.044 -19.298 -19.298 772 1HZ LYS 102 2HZ LYS 102 -2.062 -19.235 -19.235 773 2HZ LYS 102 1HZ LYS 102 -2.265 -17.642 -17.642 774 3HZ LYS 102 3HZ LYS 102 -2.193 -18.750 -18.750 775 H GLY 103 H GLY 103 -2.590 -13.843 -13.843 776 1HA GLY 103 1HA GLY 103 -4.967 -13.440 -13.440 777 2HA GLY 103 2HA GLY 103 -4.898 -12.751 -12.751 778 H GLY 104 H GLY 104 -2.166 -11.565 -11.565 779 1HA GLY 104 1HA GLY 104 -2.728 -8.962 -8.962 780 2HA GLY 104 2HA GLY 104 -1.241 -9.792 -9.792 781 H GLU 105 HN GLU 105 -2.534 -11.634 -11.634 782 HA GLU 105 HA GLU 105 -2.560 -10.054 -10.054 783 1HB GLU 105 1HB GLU 105 -3.534 -12.177 -12.177 784 2HB GLU 105 2HB GLU 105 -1.917 -12.278 -12.278 785 1HG GLU 105 2HG GLU 105 -4.292 -13.109 -13.109 786 2HG GLU 105 1HG GLU 105 -3.716 -14.152 -14.152 787 H ASP 106 HN ASP 106 -5.148 -11.414 -11.414 788 HA ASP 106 HA ASP 106 -7.341 -10.596 -10.596 789 1HB ASP 106 1HB ASP 106 -7.315 -11.285 -11.285 790 2HB ASP 106 2HB ASP 106 -8.735 -11.100 -11.100 791 H VAL 107 H VAL 107 -5.724 -9.295 -9.295 792 HA VAL 107 HA VAL 107 -7.352 -6.967 -6.967 793 HB VAL 107 HB VAL 107 -4.460 -7.427 -7.427 794 1HG1 VAL 107 2HG2 VAL 107 -6.419 -5.194 -5.194 795 2HG1 VAL 107 3HG2 VAL 107 -4.978 -5.552 -5.552 796 3HG1 VAL 107 1HG2 VAL 107 -4.801 -5.031 -5.031 797 1HG2 VAL 107 3HG1 VAL 107 -6.158 -8.942 -8.942 798 2HG2 VAL 107 1HG1 VAL 107 -5.453 -7.821 -7.821 799 3HG2 VAL 107 2HG1 VAL 107 -7.079 -7.520 -7.520 800 H ALA 108 H ALA 108 -4.239 -7.428 -7.428 801 HA ALA 108 HA ALA 108 -4.047 -4.836 -4.836 802 1HB ALA 108 1HB ALA 108 -2.252 -6.510 -6.510 803 2HB ALA 108 3HB ALA 108 -3.229 -7.495 -7.495 804 3HB ALA 108 2HB ALA 108 -2.677 -5.887 -5.887 805 H ALA 109 H ALA 109 -5.685 -7.740 -7.740 806 HA ALA 109 HA ALA 109 -6.768 -6.501 -6.501 807 1HB ALA 109 3HB ALA 109 -6.815 -8.916 -8.916 808 2HB ALA 109 1HB ALA 109 -8.035 -8.708 -8.708 809 3HB ALA 109 2HB ALA 109 -8.424 -8.289 -8.289 810 H TYR 110 H TYR 110 -8.173 -6.680 -6.680 811 HA TYR 110 HA TYR 110 -10.555 -5.267 -5.267 812 1HB TYR 110 2HB TYR 110 -10.373 -6.392 -6.392 813 2HB TYR 110 1HB TYR 110 -8.909 -5.542 -5.542 814 HD1 TYR 110 HD1 TYR 110 -12.462 -4.784 -4.784 815 HD2 TYR 110 HD2 TYR 110 -9.069 -3.711 -3.711 816 HE1 TYR 110 HE1 TYR 110 -13.741 -2.898 -2.898 817 HE2 TYR 110 HE2 TYR 110 -10.383 -1.870 -1.870 818 HH TYR 110 HH TYR 110 -13.821 -1.517 -1.517 819 H LEU 111 H LEU 111 -7.380 -3.982 -3.982 820 HA LEU 111 HA LEU 111 -8.143 -1.250 -1.250 821 1HB LEU 111 1HB LEU 111 -5.454 -2.573 -2.573 822 2HB LEU 111 2HB LEU 111 -5.657 -0.829 -0.829 823 HG LEU 111 HG LEU 111 -6.544 -2.820 -2.820 824 1HD1 LEU 111 1HD2 LEU 111 -4.097 -2.909 -2.909 825 2HD1 LEU 111 3HD2 LEU 111 -4.011 -1.142 -1.142 826 3HD1 LEU 111 2HD2 LEU 111 -4.525 -2.164 -2.164 827 1HD2 LEU 111 2HD1 LEU 111 -6.280 0.218 0.218 828 2HD2 LEU 111 1HD1 LEU 111 -7.743 -0.733 -0.733 829 3HD2 LEU 111 3HD1 LEU 111 -6.415 -0.714 -0.714 830 H ALA 112 H ALA 112 -6.813 -3.221 -3.221 831 HA ALA 112 HA ALA 112 -6.783 -1.066 -1.066 832 1HB ALA 112 1HB ALA 112 -7.078 -4.068 -4.068 833 2HB ALA 112 3HB ALA 112 -6.686 -2.858 -2.858 834 3HB ALA 112 2HB ALA 112 -5.558 -3.153 -3.153 835 H SER 113 H SER 113 -9.314 -3.384 -3.384 836 HA SER 113 HA SER 113 -11.134 -2.728 -2.728 837 1HB SER 113 2HB SER 113 -11.706 -3.994 -3.994 838 2HB SER 113 1HB SER 113 -12.776 -3.983 -3.983 839 HG SER 113 HG SER 113 -10.171 -5.125 -5.125 840 H VAL 114 H VAL 114 -11.062 -1.613 -1.613 841 HA VAL 114 HA VAL 114 -13.504 -0.325 -0.325 842 HB VAL 114 HB VAL 114 -12.343 -1.083 -1.083 843 1HG1 VAL 114 1HG1 VAL 114 -10.018 -0.259 -0.259 844 2HG1 VAL 114 3HG1 VAL 114 -10.552 1.251 1.251 845 3HG1 VAL 114 2HG1 VAL 114 -10.672 -0.278 -0.278 846 1HG2 VAL 114 2HG2 VAL 114 -14.171 0.540 0.540 847 2HG2 VAL 114 1HG2 VAL 114 -13.039 0.679 0.679 848 3HG2 VAL 114 3HG2 VAL 114 -12.972 1.863 1.863 849 H VAL 115 H VAL 115 -10.600 1.331 1.331 850 HA VAL 115 HA VAL 115 -10.536 3.786 3.786 851 HB VAL 115 HB VAL 115 -8.641 2.665 2.665 852 1HG1 VAL 115 1HG2 VAL 115 -9.569 1.282 1.282 853 2HG1 VAL 115 2HG2 VAL 115 -9.724 2.717 2.717 854 3HG1 VAL 115 3HG2 VAL 115 -8.124 2.163 2.163 855 1HG2 VAL 115 3HG1 VAL 115 -8.612 5.112 5.112 856 2HG2 VAL 115 2HG1 VAL 115 -7.580 4.385 4.385 857 3HG2 VAL 115 1HG1 VAL 115 -9.135 5.073 5.073 858 H LYS 116 HN LYS 116 -12.866 4.211 4.211 859 HA LYS 116 HA LYS 116 -13.399 6.199 6.199 860 1HB LYS 116 1HB LYS 116 -14.121 4.302 4.302 861 2HB LYS 116 2HB LYS 116 -14.998 3.610 3.610 862 1HG LYS 116 1HG LYS 116 -16.532 4.576 4.576 863 2HG LYS 116 2HG LYS 116 -16.611 5.472 5.472 864 1HD LYS 116 1HD LYS 116 -14.886 6.468 6.468 865 2HD LYS 116 2HD LYS 116 -16.641 6.686 6.686 866 1HE LYS 116 2HE LYS 116 -16.471 7.841 7.841 867 2HE LYS 116 1HE LYS 116 -14.719 7.864 7.864 868 1HZ LYS 116 2HZ LYS 116 -15.011 9.073 9.073 869 2HZ LYS 116 3HZ LYS 116 -16.650 9.082 9.082 870 3HZ LYS 116 1HZ LYS 116 -15.686 9.862 9.862 871 HHA HEC 117 HHA HEM 117 2.794 2.755 2.755 872 HHB HEC 117 HHB HEM 117 -0.900 -1.753 -1.753 873 HHC HEC 117 HHC HEM 117 -2.420 -3.824 -3.824 874 HHD HEC 117 HHD HEM 117 1.542 0.413 0.413 875 1HMA HEC 117 1HMA HEM 117 1.448 -1.367 -1.367 876 2HMA HEC 117 2HMA HEM 117 -0.015 -0.379 -0.379 877 3HMA HEC 117 3HMA HEM 117 1.585 0.313 0.313 878 1HAA HEC 117 1HAA HEM 117 3.682 2.204 2.204 879 2HAA HEC 117 2HAA HEM 117 3.355 1.305 1.305 880 1HBA HEC 117 1HBA HEM 117 1.728 3.712 3.712 881 2HBA HEC 117 2HBA HEM 117 1.577 2.860 2.860 882 1HMB HEC 117 1HMB HEM 117 -4.128 -3.471 -3.471 883 2HMB HEC 117 2HMB HEM 117 -2.867 -2.664 -2.664 884 3HMB HEC 117 3HMB HEM 117 -2.708 -4.388 -4.388 885 HAB HEC 117 HAB HEM 117 -3.507 -4.998 -4.998 886 1HBB HEC 117 1HBB HEM 117 -3.814 -6.918 -6.918 887 2HBB HEC 117 2HBB HEM 117 -2.116 -6.392 -6.392 888 3HBB HEC 117 3HBB HEM 117 -3.232 -6.057 -6.057 889 1HMC HEC 117 1HMC HEM 117 -1.974 -3.419 -3.419 890 2HMC HEC 117 2HMC HEM 117 -2.576 -4.060 -4.060 891 3HMC HEC 117 3HMC HEM 117 -3.332 -2.621 -2.621 892 HAC HEC 117 HAC HEM 117 -0.941 -1.664 -1.664 893 1HBC HEC 117 1HBC HEM 117 0.492 0.967 0.967 894 2HBC HEC 117 2HBC HEM 117 1.340 -0.609 -0.609 895 3HBC HEC 117 3HBC HEM 117 0.259 0.006 0.006 896 1HMD HEC 117 1HMD HEM 117 3.330 2.026 2.026 897 2HMD HEC 117 2HMD HEM 117 1.970 3.169 3.169 898 3HMD HEC 117 3HMD HEM 117 3.533 3.653 3.653 899 1HAD HEC 117 1HAD HEM 117 3.717 4.562 4.562 900 2HAD HEC 117 2HAD HEM 117 3.464 4.328 4.328 901 1HBD HEC 117 1HBD HEM 117 5.294 2.531 2.531 902 2HBD HEC 117 2HBD HEM 117 5.267 2.723 2.723 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -7.405 -10.491 -10.491 2 2H GLY 1 2H GLY 1 -7.815 -12.011 -12.011 3 1HA GLY 1 1HA GLY 1 -7.056 -13.057 -13.057 4 2HA GLY 1 2HA GLY 1 -6.589 -11.469 -11.469 5 H ASP 2 HN ASP 2 -8.288 -13.192 -13.192 6 HA ASP 2 HA ASP 2 -11.047 -12.710 -12.710 7 1HB ASP 2 2HB ASP 2 -9.526 -13.524 -13.524 8 2HB ASP 2 1HB ASP 2 -11.264 -13.703 -13.703 9 H ALA 3 H ALA 3 -10.741 -10.289 -10.289 10 HA ALA 3 HA ALA 3 -10.251 -8.370 -8.370 11 1HB ALA 3 2HB ALA 3 -10.998 -7.924 -7.924 12 2HB ALA 3 1HB ALA 3 -12.652 -8.427 -8.427 13 3HB ALA 3 3HB ALA 3 -11.948 -6.972 -6.972 14 H ALA 4 H ALA 4 -13.282 -10.284 -10.284 15 HA ALA 4 HA ALA 4 -14.597 -8.878 -8.878 16 1HB ALA 4 2HB ALA 4 -15.736 -10.492 -10.492 17 2HB ALA 4 3HB ALA 4 -14.780 -11.823 -11.823 18 3HB ALA 4 1HB ALA 4 -15.935 -10.935 -10.935 19 H LYS 5 HN LYS 5 -12.241 -11.581 -11.581 20 HA LYS 5 HA LYS 5 -12.478 -12.000 -12.000 21 1HB LYS 5 1HB LYS 5 -10.316 -12.838 -12.838 22 2HB LYS 5 2HB LYS 5 -10.449 -13.384 -13.384 23 1HG LYS 5 2HG LYS 5 -12.602 -13.887 -13.887 24 2HG LYS 5 1HG LYS 5 -11.252 -14.978 -14.978 25 1HD LYS 5 2HD LYS 5 -12.012 -15.226 -15.226 26 2HD LYS 5 1HD LYS 5 -13.352 -14.108 -14.108 27 1HE LYS 5 2HE LYS 5 -14.143 -16.418 -16.418 28 2HE LYS 5 1HE LYS 5 -14.297 -15.645 -15.645 29 1HZ LYS 5 1HZ LYS 5 -12.117 -17.443 -17.443 30 2HZ LYS 5 2HZ LYS 5 -13.405 -17.860 -17.860 31 3HZ LYS 5 3HZ LYS 5 -12.309 -16.765 -16.765 32 H GLY 6 H GLY 6 -10.428 -10.192 -10.192 33 1HA GLY 6 1HA GLY 6 -8.532 -9.121 -9.121 34 2HA GLY 6 2HA GLY 6 -9.136 -8.323 -8.323 35 H GLU 7 HN GLU 7 -11.733 -7.816 -7.816 36 HA GLU 7 HA GLU 7 -11.762 -5.511 -5.511 37 1HB GLU 7 2HB GLU 7 -13.383 -6.102 -6.102 38 2HB GLU 7 1HB GLU 7 -14.145 -7.273 -7.273 39 1HG GLU 7 2HG GLU 7 -14.746 -5.474 -5.474 40 2HG GLU 7 1HG GLU 7 -13.909 -4.285 -4.285 41 H LYS 8 HN LYS 8 -12.972 -8.824 -8.824 42 HA LYS 8 HA LYS 8 -13.786 -8.208 -8.208 43 1HB LYS 8 1HB LYS 8 -12.854 -10.830 -10.830 44 2HB LYS 8 2HB LYS 8 -13.574 -10.675 -10.675 45 1HG LYS 8 2HG LYS 8 -15.635 -9.747 -9.747 46 2HG LYS 8 1HG LYS 8 -14.951 -9.797 -9.797 47 1HD LYS 8 2HD LYS 8 -14.712 -12.267 -12.267 48 2HD LYS 8 1HD LYS 8 -15.436 -12.217 -12.217 49 1HE LYS 8 2HE LYS 8 -17.515 -11.236 -11.236 50 2HE LYS 8 1HE LYS 8 -16.786 -11.291 -11.291 51 1HZ LYS 8 2HZ LYS 8 -17.331 -13.613 -13.613 52 2HZ LYS 8 1HZ LYS 8 -18.209 -13.151 -13.151 53 3HZ LYS 8 3HZ LYS 8 -16.655 -13.666 -13.666 54 H GLU 9 HN GLU 9 -10.670 -9.490 -9.490 55 HA GLU 9 HA GLU 9 -9.337 -9.723 -9.723 56 1HB GLU 9 2HB GLU 9 -8.663 -10.570 -10.570 57 2HB GLU 9 1HB GLU 9 -8.090 -8.933 -8.933 58 1HG GLU 9 2HG GLU 9 -6.206 -10.246 -10.246 59 2HG GLU 9 1HG GLU 9 -6.562 -9.196 -9.196 60 H PHE 10 H PHE 10 -9.816 -6.931 -6.931 61 HA PHE 10 HA PHE 10 -8.128 -5.101 -5.101 62 1HB PHE 10 1HB PHE 10 -9.711 -4.943 -4.943 63 2HB PHE 10 2HB PHE 10 -10.815 -4.175 -4.175 64 HD1 PHE 10 HD2 PHE 10 -7.410 -4.013 -4.013 65 HD2 PHE 10 HD1 PHE 10 -10.359 -1.911 -1.911 66 HE1 PHE 10 HE2 PHE 10 -6.013 -1.977 -1.977 67 HE2 PHE 10 HE1 PHE 10 -8.944 0.127 0.127 68 HZ PHE 10 HZ PHE 10 -6.771 0.100 0.100 69 H ASN 11 H ASN 11 -10.922 -6.525 -6.525 70 HA ASN 11 HA ASN 11 -11.779 -4.608 -4.608 71 1HB ASN 11 2HB ASN 11 -12.853 -6.783 -6.783 72 2HB ASN 11 1HB ASN 11 -11.403 -7.600 -7.600 73 1HD2 ASN 11 1HD2 ASN 11 -12.375 -7.140 -7.140 74 2HD2 ASN 11 2HD2 ASN 11 -11.362 -7.991 -7.991 75 H LYS 12 HN LYS 12 -8.697 -6.447 -6.447 76 HA LYS 12 HA LYS 12 -7.932 -5.600 -5.600 77 1HB LYS 12 2HB LYS 12 -6.275 -6.712 -6.712 78 2HB LYS 12 1HB LYS 12 -5.761 -6.510 -6.510 79 1HG LYS 12 2HG LYS 12 -7.744 -8.050 -8.050 80 2HG LYS 12 1HG LYS 12 -7.855 -8.427 -8.427 81 1HD LYS 12 1HD LYS 12 -5.453 -8.870 -8.870 82 2HD LYS 12 2HD LYS 12 -6.515 -10.116 -10.116 83 1HE LYS 12 1HE LYS 12 -5.783 -9.480 -9.480 84 2HE LYS 12 2HE LYS 12 -4.707 -8.260 -8.260 85 1HZ LYS 12 3HZ LYS 12 -3.554 -10.021 -10.021 86 2HZ LYS 12 1HZ LYS 12 -4.537 -11.150 -11.150 87 3HZ LYS 12 2HZ LYS 12 -3.527 -10.245 -10.245 88 H CYS 13 H CYS 13 -6.873 -4.862 -4.862 89 HA CYS 13 HA CYS 13 -4.981 -2.914 -2.914 90 1HB CYS 13 1HB CYS 13 -7.009 -2.752 -2.752 91 2HB CYS 13 2HB CYS 13 -5.346 -2.153 -2.153 92 H LYS 14 HN LYS 14 -8.482 -2.395 -2.395 93 HA LYS 14 HA LYS 14 -8.576 0.353 0.353 94 1HB LYS 14 2HB LYS 14 -10.924 0.120 0.120 95 2HB LYS 14 1HB LYS 14 -10.469 -1.254 -1.254 96 1HG LYS 14 2HG LYS 14 -11.575 -2.398 -2.398 97 2HG LYS 14 1HG LYS 14 -10.016 -2.316 -2.316 98 1HD LYS 14 1HD LYS 14 -10.885 -0.231 -0.231 99 2HD LYS 14 2HD LYS 14 -12.408 -0.436 -0.436 100 1HE LYS 14 2HE LYS 14 -12.598 -1.329 -1.329 101 2HE LYS 14 1HE LYS 14 -12.723 -2.658 -2.658 102 1HZ LYS 14 1HZ LYS 14 -10.251 -1.948 -1.948 103 2HZ LYS 14 2HZ LYS 14 -11.303 -3.139 -3.139 104 3HZ LYS 14 3HZ LYS 14 -10.495 -3.243 -3.243 105 H THR 15 H THR 15 -7.804 -1.582 -1.582 106 HA THR 15 HA THR 15 -8.672 0.278 0.278 107 HB THR 15 HB THR 15 -6.215 -1.526 -1.526 108 HG1 THR 15 HG1 THR 15 -7.788 -2.872 -2.872 109 1HG2 THR 15 2HG2 THR 15 -8.215 -0.596 -0.596 110 2HG2 THR 15 1HG2 THR 15 -6.844 -1.691 -1.691 111 3HG2 THR 15 3HG2 THR 15 -6.549 0.000 0.000 112 H CYS 16 H CYS 16 -5.789 0.030 0.030 113 HA CYS 16 HA CYS 16 -4.500 2.382 2.382 114 1HB CYS 16 2HB CYS 16 -3.551 0.148 0.148 115 2HB CYS 16 1HB CYS 16 -2.586 1.594 1.594 116 H HIS 17 HN HIS 17 -5.544 1.095 1.095 117 HA HIS 17 HA HIS 17 -4.593 3.512 3.512 118 1HB HIS 17 1HB HIS 17 -5.616 0.768 0.768 119 2HB HIS 17 2HB HIS 17 -5.467 2.074 2.074 120 HD1 HIS 17 HD1 HIS 17 -3.076 3.188 3.188 121 HD2 HIS 17 HD2 HIS 17 -3.095 -0.381 -0.381 122 HE1 HIS 17 HE1 HIS 17 -0.720 2.252 2.252 123 H SER 18 H SER 18 -6.165 4.133 4.133 124 HA SER 18 HA SER 18 -8.953 4.278 4.278 125 1HB SER 18 1HB SER 18 -7.129 6.710 6.710 126 2HB SER 18 2HB SER 18 -8.890 6.814 6.814 127 HG SER 18 HG SER 18 -7.717 5.361 5.361 128 H ILE 19 H ILE 19 -10.242 5.279 5.279 129 HA ILE 19 HA ILE 19 -9.072 5.165 5.165 130 HB ILE 19 HB ILE 19 -11.318 3.334 3.334 131 1HG1 ILE 19 2HG1 ILE 19 -8.520 2.714 2.714 132 2HG1 ILE 19 1HG1 ILE 19 -9.121 2.403 2.403 133 1HG2 ILE 19 1HG2 ILE 19 -11.628 4.370 4.370 134 2HG2 ILE 19 3HG2 ILE 19 -10.117 3.551 3.551 135 3HG2 ILE 19 2HG2 ILE 19 -11.555 2.618 2.618 136 1HD1 ILE 19 2HD1 ILE 19 -10.798 0.818 0.818 137 2HD1 ILE 19 3HD1 ILE 19 -10.067 1.015 1.015 138 3HD1 ILE 19 1HD1 ILE 19 -9.115 0.338 0.338 139 H ILE 20 H ILE 20 -9.927 6.987 6.987 140 HA ILE 20 HA ILE 20 -12.628 7.908 7.908 141 HB ILE 20 HB ILE 20 -10.683 9.060 9.060 142 1HG1 ILE 20 1HG1 ILE 20 -12.074 11.251 11.251 143 2HG1 ILE 20 2HG1 ILE 20 -13.133 10.040 10.040 144 1HG2 ILE 20 3HG2 ILE 20 -9.194 9.223 9.223 145 2HG2 ILE 20 1HG2 ILE 20 -10.288 10.460 10.460 146 3HG2 ILE 20 2HG2 ILE 20 -9.413 10.750 10.750 147 1HD1 ILE 20 1HD1 ILE 20 -10.875 11.428 11.428 148 2HD1 ILE 20 2HD1 ILE 20 -12.601 11.838 11.838 149 3HD1 ILE 20 3HD1 ILE 20 -12.021 10.251 10.251 150 H ALA 21 H ALA 21 -13.950 8.482 8.482 151 HA ALA 21 HA ALA 21 -13.099 7.810 7.810 152 1HB ALA 21 2HB ALA 21 -15.442 7.618 7.618 153 2HB ALA 21 1HB ALA 21 -15.532 9.390 9.390 154 3HB ALA 21 3HB ALA 21 -15.341 8.587 8.587 155 HA PRO 22 HA PRO 22 -11.233 11.564 11.564 156 1HB PRO 22 1HB PRO 22 -13.306 11.724 11.724 157 2HB PRO 22 2HB PRO 22 -11.531 11.894 11.894 158 1HG PRO 22 2HG PRO 22 -12.696 9.552 9.552 159 2HG PRO 22 1HG PRO 22 -11.232 9.526 9.526 160 1HD PRO 22 2HD PRO 22 -14.124 9.306 9.306 161 2HD PRO 22 1HD PRO 22 -12.737 8.282 8.282 162 H ASP 23 HN ASP 23 -14.779 11.649 11.649 163 HA ASP 23 HA ASP 23 -15.085 14.496 14.496 164 1HB ASP 23 2HB ASP 23 -17.466 13.839 13.839 165 2HB ASP 23 1HB ASP 23 -16.807 13.107 13.107 166 H GLY 24 H GLY 24 -13.929 12.320 12.320 167 1HA GLY 24 1HA GLY 24 -13.356 13.079 13.079 168 2HA GLY 24 2HA GLY 24 -14.707 14.202 14.202 169 H THR 25 H THR 25 -16.334 11.567 11.567 170 HA THR 25 HA THR 25 -17.459 10.981 10.981 171 HB THR 25 HB THR 25 -17.517 9.275 9.275 172 HG1 THR 25 HG1 THR 25 -18.392 11.287 11.287 173 1HG2 THR 25 3HG2 THR 25 -19.315 9.283 9.283 174 2HG2 THR 25 1HG2 THR 25 -19.628 8.398 8.398 175 3HG2 THR 25 2HG2 THR 25 -18.239 7.956 7.956 176 H GLU 26 HN GLU 26 -16.505 10.031 10.031 177 HA GLU 26 HA GLU 26 -14.066 8.565 8.565 178 1HB GLU 26 2HB GLU 26 -16.000 8.544 8.544 179 2HB GLU 26 1HB GLU 26 -14.247 8.313 8.313 180 1HG GLU 26 2HG GLU 26 -14.161 10.757 10.757 181 2HG GLU 26 1HG GLU 26 -15.828 10.884 10.884 182 H ILE 27 H ILE 27 -13.794 6.464 6.464 183 HA ILE 27 HA ILE 27 -16.124 4.601 4.601 184 HB ILE 27 HB ILE 27 -13.334 4.190 4.190 185 1HG1 ILE 27 1HG1 ILE 27 -14.245 6.009 6.009 186 2HG1 ILE 27 2HG1 ILE 27 -14.275 4.544 4.544 187 1HG2 ILE 27 1HG2 ILE 27 -15.916 2.635 2.635 188 2HG2 ILE 27 2HG2 ILE 27 -14.407 2.353 2.353 189 3HG2 ILE 27 3HG2 ILE 27 -14.463 2.099 2.099 190 1HD1 ILE 27 1HD1 ILE 27 -16.720 4.283 4.283 191 2HD1 ILE 27 3HD1 ILE 27 -16.669 5.802 5.802 192 3HD1 ILE 27 2HD1 ILE 27 -16.334 5.806 5.806 193 H VAL 28 H VAL 28 -12.843 5.187 5.187 194 HA VAL 28 HA VAL 28 -13.478 3.584 3.584 195 HB VAL 28 HB VAL 28 -10.930 3.173 3.173 196 1HG1 VAL 28 2HG1 VAL 28 -11.778 2.046 2.046 197 2HG1 VAL 28 1HG1 VAL 28 -10.322 1.584 1.584 198 3HG1 VAL 28 3HG1 VAL 28 -10.462 3.201 3.201 199 1HG2 VAL 28 3HG2 VAL 28 -13.169 1.243 1.243 200 2HG2 VAL 28 2HG2 VAL 28 -12.771 1.840 1.840 201 3HG2 VAL 28 1HG2 VAL 28 -11.628 0.801 0.801 202 H LYS 29 HN LYS 29 -12.892 4.757 4.757 203 HA LYS 29 HA LYS 29 -10.815 6.878 6.878 204 1HB LYS 29 2HB LYS 29 -13.211 7.683 7.683 205 2HB LYS 29 1HB LYS 29 -13.407 7.144 7.144 206 1HG LYS 29 2HG LYS 29 -11.451 9.229 9.229 207 2HG LYS 29 1HG LYS 29 -12.930 9.537 9.537 208 1HD LYS 29 2HD LYS 29 -11.902 8.220 8.220 209 2HD LYS 29 1HD LYS 29 -10.367 8.255 8.255 210 1HE LYS 29 2HE LYS 29 -11.971 10.681 10.681 211 2HE LYS 29 1HE LYS 29 -10.476 10.067 10.067 212 1HZ LYS 29 1HZ LYS 29 -9.363 10.520 10.520 213 2HZ LYS 29 3HZ LYS 29 -10.752 11.119 11.119 214 3HZ LYS 29 2HZ LYS 29 -10.045 11.888 11.888 215 H GLY 30 H GLY 30 -9.530 5.086 5.086 216 1HA GLY 30 1HA GLY 30 -10.017 3.606 3.606 217 2HA GLY 30 2HA GLY 30 -8.498 3.705 3.705 218 H ALA 31 H ALA 31 -7.685 3.739 3.739 219 HA ALA 31 HA ALA 31 -7.813 6.404 6.404 220 1HB ALA 31 3HB ALA 31 -7.812 4.327 4.327 221 2HB ALA 31 2HB ALA 31 -6.210 3.909 3.909 222 3HB ALA 31 1HB ALA 31 -6.414 5.357 5.357 223 H LYS 32 HN LYS 32 -6.984 6.687 6.687 224 HA LYS 32 HA LYS 32 -5.186 6.671 6.671 225 1HB LYS 32 1HB LYS 32 -6.437 8.814 8.814 226 2HB LYS 32 2HB LYS 32 -5.008 9.256 9.256 227 1HG LYS 32 1HG LYS 32 -4.932 10.344 10.344 228 2HG LYS 32 2HG LYS 32 -3.652 9.126 9.126 229 1HD LYS 32 1HD LYS 32 -4.990 7.628 7.628 230 2HD LYS 32 2HD LYS 32 -6.419 8.663 8.663 231 1HE LYS 32 1HE LYS 32 -5.374 9.013 9.013 232 2HE LYS 32 2HE LYS 32 -5.244 10.489 10.489 233 1HZ LYS 32 1HZ LYS 32 -3.134 8.481 8.481 234 2HZ LYS 32 3HZ LYS 32 -3.184 9.984 9.984 235 3HZ LYS 32 2HZ LYS 32 -3.010 9.844 9.844 236 H THR 33 H THR 33 -3.952 4.940 4.940 237 HA THR 33 HA THR 33 -1.474 5.964 5.964 238 HB THR 33 HB THR 33 -2.082 3.062 3.062 239 HG1 THR 33 HG1 THR 33 -3.530 4.813 4.813 240 1HG2 THR 33 1HG2 THR 33 0.071 3.704 3.704 241 2HG2 THR 33 2HG2 THR 33 -0.816 4.541 4.541 242 3HG2 THR 33 3HG2 THR 33 -0.963 2.781 2.781 243 H GLY 34 H GLY 34 -2.714 4.567 4.567 244 1HA GLY 34 1HA GLY 34 -0.005 4.684 4.684 245 2HA GLY 34 2HA GLY 34 -1.225 3.467 3.467 246 HA PRO 35 HA PRO 35 -1.751 7.499 7.499 247 1HB PRO 35 2HB PRO 35 -1.029 6.529 6.529 248 2HB PRO 35 1HB PRO 35 0.129 7.217 7.217 249 1HG PRO 35 1HG PRO 35 -0.573 4.298 4.298 250 2HG PRO 35 2HG PRO 35 1.058 5.032 5.032 251 1HD PRO 35 2HD PRO 35 0.170 3.945 3.945 252 2HD PRO 35 1HD PRO 35 0.922 5.550 5.550 253 H ASN 36 H ASN 36 -3.230 7.730 7.730 254 HA ASN 36 HA ASN 36 -5.550 5.987 5.987 255 1HB ASN 36 2HB ASN 36 -5.839 8.450 8.450 256 2HB ASN 36 1HB ASN 36 -5.176 8.452 8.452 257 1HD2 ASN 36 2HD2 ASN 36 -9.084 7.810 7.810 258 2HD2 ASN 36 1HD2 ASN 36 -8.063 8.611 8.611 259 H LEU 37 H LEU 37 -5.880 4.329 4.329 260 HA LEU 37 HA LEU 37 -3.837 3.958 3.958 261 1HB LEU 37 2HB LEU 37 -5.801 1.961 1.961 262 2HB LEU 37 1HB LEU 37 -4.501 1.630 1.630 263 HG LEU 37 HG LEU 37 -4.178 2.518 2.518 264 1HD1 LEU 37 1HD1 LEU 37 -4.740 0.130 0.130 265 2HD1 LEU 37 3HD1 LEU 37 -3.357 -0.028 -0.028 266 3HD1 LEU 37 2HD1 LEU 37 -3.094 0.313 0.313 267 1HD2 LEU 37 3HD2 LEU 37 -2.087 2.146 2.146 268 2HD2 LEU 37 1HD2 LEU 37 -2.369 3.600 3.600 269 3HD2 LEU 37 2HD2 LEU 37 -1.695 2.144 2.144 270 H TYR 38 H TYR 38 -6.759 5.472 5.472 271 HA TYR 38 HA TYR 38 -7.961 4.120 4.120 272 1HB TYR 38 1HB TYR 38 -9.170 5.650 5.650 273 2HB TYR 38 2HB TYR 38 -8.295 7.020 7.020 274 HD1 TYR 38 HD1 TYR 38 -8.743 7.727 7.727 275 HD2 TYR 38 HD2 TYR 38 -11.061 4.667 4.667 276 HE1 TYR 38 HE1 TYR 38 -10.065 7.428 7.428 277 HE2 TYR 38 HE2 TYR 38 -12.532 4.538 4.538 278 HH TYR 38 HH TYR 38 -11.748 6.124 6.124 279 H GLY 39 H GLY 39 -6.178 3.729 3.729 280 1HA GLY 39 1HA GLY 39 -5.606 4.495 4.495 281 2HA GLY 39 2HA GLY 39 -5.253 6.080 6.080 282 H VAL 40 H VAL 40 -4.325 3.271 3.271 283 HA VAL 40 HA VAL 40 -1.621 3.992 3.992 284 HB VAL 40 HB VAL 40 -2.893 2.441 2.441 285 1HG1 VAL 40 1HG2 VAL 40 -3.670 0.815 0.815 286 2HG1 VAL 40 2HG2 VAL 40 -1.980 0.302 0.302 287 3HG1 VAL 40 3HG2 VAL 40 -2.790 0.043 0.043 288 1HG2 VAL 40 1HG1 VAL 40 -0.480 2.863 2.863 289 2HG2 VAL 40 2HG1 VAL 40 -0.889 1.189 1.189 290 3HG2 VAL 40 3HG1 VAL 40 -0.125 1.548 1.548 291 H VAL 41 H VAL 41 -3.339 1.671 1.671 292 HA VAL 41 HA VAL 41 -1.036 0.541 0.541 293 HB VAL 41 HB VAL 41 -3.841 0.756 0.756 294 1HG1 VAL 41 2HG2 VAL 41 -1.478 -1.011 -1.011 295 2HG1 VAL 41 1HG2 VAL 41 -3.143 -1.201 -1.201 296 3HG1 VAL 41 3HG2 VAL 41 -2.224 0.247 0.247 297 1HG2 VAL 41 2HG1 VAL 41 -2.354 -1.383 -1.383 298 2HG2 VAL 41 3HG1 VAL 41 -3.720 -0.423 -0.423 299 3HG2 VAL 41 1HG1 VAL 41 -3.967 -1.587 -1.587 300 H GLY 42 H GLY 42 0.422 1.483 1.483 301 1HA GLY 42 1HA GLY 42 1.337 2.530 2.530 302 2HA GLY 42 2HA GLY 42 -0.130 3.494 3.494 303 H ARG 43 HN ARG 43 0.265 3.794 3.794 304 HA ARG 43 HA ARG 43 1.404 6.417 6.417 305 1HB ARG 43 2HB ARG 43 -0.368 5.842 5.842 306 2HB ARG 43 1HB ARG 43 0.852 4.998 4.998 307 1HG ARG 43 1HG ARG 43 0.617 7.153 7.153 308 2HG ARG 43 2HG ARG 43 2.158 7.188 7.188 309 1HD ARG 43 2HD ARG 43 0.999 8.361 8.361 310 2HD ARG 43 1HD ARG 43 -0.511 8.308 8.308 311 HE ARG 43 HE ARG 43 1.594 9.528 9.528 312 1HH1 ARG 43 1HH1 ARG 43 -0.402 10.159 10.159 313 2HH1 ARG 43 2HH1 ARG 43 -0.294 11.893 11.893 314 1HH2 ARG 43 1HH2 ARG 43 1.648 11.767 11.767 315 2HH2 ARG 43 2HH2 ARG 43 0.940 12.836 12.836 316 H THR 44 H THR 44 3.428 7.189 7.189 317 HA THR 44 HA THR 44 5.627 5.459 5.459 318 HB THR 44 HB THR 44 5.573 8.384 8.384 319 HG1 THR 44 HG1 THR 44 5.379 7.164 7.164 320 1HG2 THR 44 2HG2 THR 44 7.648 6.713 6.713 321 2HG2 THR 44 1HG2 THR 44 7.707 8.475 8.475 322 3HG2 THR 44 3HG2 THR 44 7.823 7.402 7.402 323 H ALA 45 H ALA 45 4.908 4.100 4.100 324 HA ALA 45 HA ALA 45 5.407 3.312 3.312 325 1HB ALA 45 2HB ALA 45 7.764 3.932 3.932 326 2HB ALA 45 1HB ALA 45 7.667 5.310 5.310 327 3HB ALA 45 3HB ALA 45 7.559 3.661 3.661 328 H GLY 46 H GLY 46 6.601 5.045 5.045 329 1HA GLY 46 1HA GLY 46 4.224 6.073 6.073 330 2HA GLY 46 2HA GLY 46 5.872 6.264 6.264 331 H THR 47 H THR 47 3.719 7.460 7.460 332 HA THR 47 HA THR 47 4.468 10.281 10.281 333 HB THR 47 HB THR 47 4.354 10.707 10.707 334 HG1 THR 47 HG1 THR 47 4.802 7.937 7.937 335 1HG2 THR 47 3HG2 THR 47 6.526 10.566 10.566 336 2HG2 THR 47 1HG2 THR 47 6.574 8.814 8.814 337 3HG2 THR 47 2HG2 THR 47 6.615 9.922 9.922 338 H TYR 48 H TYR 48 1.904 8.200 8.200 339 HA TYR 48 HA TYR 48 -0.069 9.644 9.644 340 1HB TYR 48 1HB TYR 48 -0.239 7.256 7.256 341 2HB TYR 48 2HB TYR 48 -0.604 7.963 7.963 342 HD1 TYR 48 HD2 TYR 48 -2.680 9.344 9.344 343 HD2 TYR 48 HD1 TYR 48 -1.904 7.188 7.188 344 HE1 TYR 48 HE2 TYR 48 -4.919 9.946 9.946 345 HE2 TYR 48 HE1 TYR 48 -4.156 7.718 7.718 346 HH TYR 48 HH TYR 48 -6.279 8.514 8.514 347 HA PRO 49 HA PRO 49 0.082 13.247 13.247 348 1HB PRO 49 1HB PRO 49 -2.449 14.364 14.364 349 2HB PRO 49 2HB PRO 49 -1.138 14.417 14.417 350 1HG PRO 49 2HG PRO 49 -3.401 12.408 12.408 351 2HG PRO 49 1HG PRO 49 -2.882 13.351 13.351 352 1HD PRO 49 2HD PRO 49 -2.034 10.834 10.834 353 2HD PRO 49 1HD PRO 49 -0.853 12.075 12.075 354 H GLU 50 HN GLU 50 -0.807 14.355 14.355 355 HA GLU 50 HA GLU 50 -1.256 14.379 14.379 356 1HB GLU 50 2HB GLU 50 -3.707 12.727 12.727 357 2HB GLU 50 1HB GLU 50 -3.510 13.858 13.858 358 1HG GLU 50 1HG GLU 50 -3.716 14.509 14.509 359 2HG GLU 50 2HG GLU 50 -4.838 14.947 14.947 360 H PHE 51 H PHE 51 0.746 12.773 12.773 361 HA PHE 51 HA PHE 51 0.274 11.188 11.188 362 1HB PHE 51 2HB PHE 51 -0.518 9.597 9.597 363 2HB PHE 51 1HB PHE 51 1.120 9.612 9.612 364 HD1 PHE 51 HD2 PHE 51 -0.927 8.919 8.919 365 HD2 PHE 51 HD1 PHE 51 2.920 8.431 8.431 366 HE1 PHE 51 HE2 PHE 51 -0.228 7.434 7.434 367 HE2 PHE 51 HE1 PHE 51 3.607 6.909 6.909 368 HZ PHE 51 HZ PHE 51 1.984 6.314 6.314 369 H LYS 52 HN LYS 52 2.019 11.434 11.434 370 HA LYS 52 HA LYS 52 4.522 12.466 12.466 371 1HB LYS 52 1HB LYS 52 3.556 13.306 13.306 372 2HB LYS 52 2HB LYS 52 3.766 11.710 11.710 373 1HG LYS 52 2HG LYS 52 6.229 11.883 11.883 374 2HG LYS 52 1HG LYS 52 6.006 13.466 13.466 375 1HD LYS 52 2HD LYS 52 5.022 14.352 14.352 376 2HD LYS 52 1HD LYS 52 5.226 12.761 12.761 377 1HE LYS 52 2HE LYS 52 7.687 12.912 12.912 378 2HE LYS 52 1HE LYS 52 7.486 14.503 14.503 379 1HZ LYS 52 3HZ LYS 52 6.578 15.302 15.302 380 2HZ LYS 52 2HZ LYS 52 6.765 13.825 13.825 381 3HZ LYS 52 1HZ LYS 52 8.087 14.684 14.684 382 H TYR 53 H TYR 53 5.228 10.730 10.730 383 HA TYR 53 HA TYR 53 5.660 8.053 8.053 384 1HB TYR 53 2HB TYR 53 7.008 9.431 9.431 385 2HB TYR 53 1HB TYR 53 6.921 7.717 7.717 386 HD1 TYR 53 HD1 TYR 53 4.952 6.351 6.351 387 HD2 TYR 53 HD2 TYR 53 5.010 10.579 10.579 388 HE1 TYR 53 HE1 TYR 53 2.870 6.116 6.116 389 HE2 TYR 53 HE2 TYR 53 2.880 10.348 10.348 390 HH TYR 53 HH TYR 53 1.133 8.947 8.947 391 H LYS 54 HN LYS 54 8.077 7.312 7.312 392 HA LYS 54 HA LYS 54 9.986 8.721 8.721 393 1HB LYS 54 2HB LYS 54 10.219 5.859 5.859 394 2HB LYS 54 1HB LYS 54 11.066 6.660 6.660 395 1HG LYS 54 1HG LYS 54 9.064 6.721 6.721 396 2HG LYS 54 2HG LYS 54 8.067 6.119 6.119 397 1HD LYS 54 2HD LYS 54 8.471 4.275 4.275 398 2HD LYS 54 1HD LYS 54 9.364 4.014 4.014 399 1HE LYS 54 2HE LYS 54 11.466 4.739 4.739 400 2HE LYS 54 1HE LYS 54 10.558 4.973 4.973 401 1HZ LYS 54 3HZ LYS 54 10.007 2.630 2.630 402 2HZ LYS 54 2HZ LYS 54 10.874 2.466 2.466 403 3HZ LYS 54 1HZ LYS 54 11.641 2.855 2.855 404 H ASP 55 HN ASP 55 12.281 7.925 7.925 405 HA ASP 55 HA ASP 55 12.735 9.192 9.192 406 1HB ASP 55 2HB ASP 55 14.320 9.437 9.437 407 2HB ASP 55 1HB ASP 55 14.571 7.682 7.682 408 H SER 56 H SER 56 12.481 5.773 5.773 409 HA SER 56 HA SER 56 14.095 4.591 4.591 410 1HB SER 56 1HB SER 56 12.658 2.592 2.592 411 2HB SER 56 2HB SER 56 13.711 3.445 3.445 412 HG SER 56 HG SER 56 11.528 3.196 3.196 413 H ILE 57 H ILE 57 10.664 4.544 4.544 414 HA ILE 57 HA ILE 57 9.853 3.477 3.477 415 HB ILE 57 HB ILE 57 8.718 3.617 3.617 416 1HG1 ILE 57 1HG1 ILE 57 6.357 3.711 3.711 417 2HG1 ILE 57 2HG1 ILE 57 7.084 4.120 4.120 418 1HG2 ILE 57 3HG2 ILE 57 8.840 6.025 6.025 419 2HG2 ILE 57 2HG2 ILE 57 7.674 6.271 6.271 420 3HG2 ILE 57 1HG2 ILE 57 7.193 5.404 5.404 421 1HD1 ILE 57 3HD1 ILE 57 7.690 1.596 1.596 422 2HD1 ILE 57 2HD1 ILE 57 6.532 1.701 1.701 423 3HD1 ILE 57 1HD1 ILE 57 8.254 1.953 1.953 424 H VAL 58 H VAL 58 10.293 6.895 6.895 425 HA VAL 58 HA VAL 58 9.246 7.989 7.989 426 HB VAL 58 HB VAL 58 11.144 9.041 9.041 427 1HG1 VAL 58 2HG2 VAL 58 10.027 10.502 10.502 428 2HG1 VAL 58 1HG2 VAL 58 10.771 11.292 11.292 429 3HG1 VAL 58 3HG2 VAL 58 11.743 10.231 10.231 430 1HG2 VAL 58 3HG1 VAL 58 8.673 8.686 8.686 431 2HG2 VAL 58 2HG1 VAL 58 9.211 10.370 10.370 432 3HG2 VAL 58 1HG1 VAL 58 8.289 9.836 9.836 433 H ALA 59 H ALA 59 12.594 7.131 7.131 434 HA ALA 59 HA ALA 59 13.922 7.844 7.844 435 1HB ALA 59 1HB ALA 59 15.092 7.312 7.312 436 2HB ALA 59 3HB ALA 59 14.601 5.609 5.609 437 3HB ALA 59 2HB ALA 59 15.695 6.312 6.312 438 H LEU 60 H LEU 60 12.305 4.770 4.770 439 HA LEU 60 HA LEU 60 12.953 3.296 3.296 440 1HB LEU 60 1HB LEU 60 11.710 2.526 2.526 441 2HB LEU 60 2HB LEU 60 10.267 3.282 3.282 442 HG LEU 60 HG LEU 60 10.485 1.817 1.817 443 1HD1 LEU 60 2HD2 LEU 60 12.876 1.132 1.132 444 2HD1 LEU 60 1HD2 LEU 60 12.452 0.258 0.258 445 3HD1 LEU 60 3HD2 LEU 60 11.772 -0.241 -0.241 446 1HD2 LEU 60 1HD1 LEU 60 8.909 1.325 1.325 447 2HD2 LEU 60 2HD1 LEU 60 9.535 -0.161 -0.161 448 3HD2 LEU 60 3HD1 LEU 60 10.195 0.399 0.399 449 H GLY 61 H GLY 61 10.166 5.506 5.506 450 1HA GLY 61 1HA GLY 61 9.038 5.419 5.419 451 2HA GLY 61 2HA GLY 61 8.975 6.802 6.802 452 H ALA 62 H ALA 62 11.442 7.713 7.713 453 HA ALA 62 HA ALA 62 11.908 9.232 9.232 454 1HB ALA 62 2HB ALA 62 12.693 9.789 9.789 455 2HB ALA 62 3HB ALA 62 13.948 8.537 8.537 456 3HB ALA 62 1HB ALA 62 13.970 9.942 9.942 457 H SER 63 H SER 63 13.441 6.100 6.100 458 HA SER 63 HA SER 63 15.356 6.211 6.211 459 1HB SER 63 2HB SER 63 15.789 3.899 3.899 460 2HB SER 63 1HB SER 63 15.595 4.750 4.750 461 HG SER 63 HG SER 63 13.315 3.941 3.941 462 H GLY 64 H GLY 64 11.972 5.884 5.884 463 1HA GLY 64 1HA GLY 64 11.022 6.073 6.073 464 2HA GLY 64 2HA GLY 64 12.181 4.912 4.912 465 H PHE 65 H PHE 65 10.895 4.054 4.054 466 HA PHE 65 HA PHE 65 9.568 1.765 1.765 467 1HB PHE 65 1HB PHE 65 10.824 1.525 1.525 468 2HB PHE 65 2HB PHE 65 9.756 2.729 2.729 469 HD1 PHE 65 HD2 PHE 65 9.212 -0.428 -0.428 470 HD2 PHE 65 HD1 PHE 65 8.189 1.855 1.855 471 HE1 PHE 65 HE2 PHE 65 7.354 -1.977 -1.977 472 HE2 PHE 65 HE1 PHE 65 6.427 0.237 0.237 473 HZ PHE 65 HZ PHE 65 6.032 -1.714 -1.714 474 H ALA 66 H ALA 66 7.407 1.387 1.387 475 HA ALA 66 HA ALA 66 5.462 3.332 3.332 476 1HB ALA 66 2HB ALA 66 5.518 2.352 2.352 477 2HB ALA 66 1HB ALA 66 4.211 3.290 3.290 478 3HB ALA 66 3HB ALA 66 5.815 4.022 4.022 479 H TRP 67 H TRP 67 3.703 2.302 2.302 480 HA TRP 67 HA TRP 67 3.939 -0.497 -0.497 481 1HB TRP 67 2HB TRP 67 1.745 1.549 1.549 482 2HB TRP 67 1HB TRP 67 1.516 -0.149 -0.149 483 HD1 TRP 67 HD1 TRP 67 2.409 2.891 2.891 484 HE1 TRP 67 HE1 TRP 67 3.668 2.447 2.447 485 HE3 TRP 67 HE3 TRP 67 3.606 -2.046 -2.046 486 HZ2 TRP 67 HZ2 TRP 67 5.064 0.301 0.301 487 HZ3 TRP 67 HZ3 TRP 67 5.043 -3.208 -3.208 488 HH2 TRP 67 HH2 TRP 67 5.894 -2.023 -2.023 489 H THR 68 H THR 68 2.804 -2.194 -2.194 490 HA THR 68 HA THR 68 0.922 -1.955 -1.955 491 HB THR 68 HB THR 68 1.936 -3.892 -3.892 492 HG1 THR 68 HG1 THR 68 4.251 -3.868 -3.868 493 1HG2 THR 68 2HG2 THR 68 2.822 -1.690 -1.690 494 2HG2 THR 68 3HG2 THR 68 4.137 -1.858 -1.858 495 3HG2 THR 68 1HG2 THR 68 4.014 -3.001 -3.001 496 H GLU 69 HN GLU 69 -0.349 -4.055 -4.055 497 HA GLU 69 HA GLU 69 -1.356 -4.849 -4.849 498 1HB GLU 69 2HB GLU 69 -2.357 -6.742 -6.742 499 2HB GLU 69 1HB GLU 69 -2.596 -5.121 -5.121 500 1HG GLU 69 2HG GLU 69 -0.954 -5.477 -5.477 501 2HG GLU 69 1HG GLU 69 -0.535 -7.057 -7.057 502 H GLU 70 HN GLU 70 1.146 -6.236 -6.236 503 HA GLU 70 HA GLU 70 1.512 -8.639 -8.639 504 1HB GLU 70 1HB GLU 70 3.516 -9.037 -9.037 505 2HB GLU 70 2HB GLU 70 2.070 -8.702 -8.702 506 1HG GLU 70 2HG GLU 70 2.856 -6.411 -6.411 507 2HG GLU 70 1HG GLU 70 4.334 -6.727 -6.727 508 H ASP 71 HN ASP 71 3.323 -5.539 -5.539 509 HA ASP 71 HA ASP 71 5.246 -6.268 -6.268 510 1HB ASP 71 1HB ASP 71 4.248 -3.561 -3.561 511 2HB ASP 71 2HB ASP 71 5.512 -3.817 -3.817 512 H ILE 72 H ILE 72 2.069 -4.506 -4.506 513 HA ILE 72 HA ILE 72 2.205 -4.147 -4.147 514 HB ILE 72 HB ILE 72 -0.183 -4.676 -4.676 515 1HG1 ILE 72 1HG1 ILE 72 0.864 -2.050 -2.050 516 2HG1 ILE 72 2HG1 ILE 72 1.345 -2.623 -2.623 517 1HG2 ILE 72 1HG2 ILE 72 -0.073 -3.566 -3.566 518 2HG2 ILE 72 3HG2 ILE 72 -1.519 -3.587 -3.587 519 3HG2 ILE 72 2HG2 ILE 72 -0.814 -5.102 -5.102 520 1HD1 ILE 72 3HD1 ILE 72 -1.050 -2.802 -2.802 521 2HD1 ILE 72 2HD1 ILE 72 -1.506 -1.964 -1.964 522 3HD1 ILE 72 1HD1 ILE 72 -0.475 -1.156 -1.156 523 H ALA 73 H ALA 73 0.729 -6.856 -6.856 524 HA ALA 73 HA ALA 73 -0.110 -8.487 -8.487 525 1HB ALA 73 3HB ALA 73 -0.555 -8.920 -8.920 526 2HB ALA 73 2HB ALA 73 1.153 -9.311 -9.311 527 3HB ALA 73 1HB ALA 73 0.158 -10.347 -10.347 528 H THR 74 H THR 74 3.143 -8.355 -8.355 529 HA THR 74 HA THR 74 4.352 -10.286 -10.286 530 HB THR 74 HB THR 74 5.672 -7.944 -7.944 531 HG1 THR 74 HG1 THR 74 4.453 -9.143 -9.143 532 1HG2 THR 74 2HG2 THR 74 6.741 -10.651 -10.651 533 2HG2 THR 74 3HG2 THR 74 7.585 -9.520 -9.520 534 3HG2 THR 74 1HG2 THR 74 7.247 -9.053 -9.053 535 H TYR 75 H TYR 75 4.748 -6.716 -6.716 536 HA TYR 75 HA TYR 75 6.127 -6.393 -6.393 537 1HB TYR 75 1HB TYR 75 5.628 -4.559 -4.559 538 2HB TYR 75 2HB TYR 75 3.900 -4.769 -4.769 539 HD1 TYR 75 HD1 TYR 75 6.964 -4.076 -4.076 540 HD2 TYR 75 HD2 TYR 75 2.772 -3.354 -3.354 541 HE1 TYR 75 HE1 TYR 75 7.039 -2.239 -2.239 542 HE2 TYR 75 HE2 TYR 75 2.832 -1.606 -1.606 543 HH TYR 75 HH TYR 75 4.108 -0.323 -0.323 544 H VAL 76 H VAL 76 2.574 -6.673 -6.673 545 HA VAL 76 HA VAL 76 1.927 -6.175 -6.175 546 HB VAL 76 HB VAL 76 0.597 -7.673 -7.673 547 1HG1 VAL 76 2HG2 VAL 76 -0.535 -7.231 -7.231 548 2HG1 VAL 76 1HG2 VAL 76 -1.524 -7.557 -7.557 549 3HG1 VAL 76 3HG2 VAL 76 -0.351 -8.761 -8.761 550 1HG2 VAL 76 1HG1 VAL 76 0.859 -5.130 -5.130 551 2HG2 VAL 76 2HG1 VAL 76 -0.818 -5.695 -5.695 552 3HG2 VAL 76 3HG1 VAL 76 -0.108 -5.083 -5.083 553 H LYS 77 HN LYS 77 3.402 -9.142 -9.142 554 HA LYS 77 HA LYS 77 3.123 -10.281 -10.281 555 1HB LYS 77 2HB LYS 77 3.201 -12.506 -12.506 556 2HB LYS 77 1HB LYS 77 1.790 -11.581 -11.581 557 1HG LYS 77 1HG LYS 77 2.515 -12.873 -12.873 558 2HG LYS 77 2HG LYS 77 2.799 -11.176 -11.176 559 1HD LYS 77 2HD LYS 77 5.176 -11.428 -11.428 560 2HD LYS 77 1HD LYS 77 4.968 -13.027 -13.027 561 1HE LYS 77 2HE LYS 77 4.249 -13.958 -13.958 562 2HE LYS 77 1HE LYS 77 4.283 -12.346 -12.346 563 1HZ LYS 77 3HZ LYS 77 6.641 -12.269 -12.269 564 2HZ LYS 77 1HZ LYS 77 6.594 -13.807 -13.807 565 3HZ LYS 77 2HZ LYS 77 6.256 -13.523 -13.523 566 H ASP 78 HN ASP 78 5.228 -8.489 -8.489 567 HA ASP 78 HA ASP 78 7.444 -9.613 -9.613 568 1HB ASP 78 2HB ASP 78 8.957 -9.610 -9.610 569 2HB ASP 78 1HB ASP 78 7.880 -11.013 -11.013 570 HA PRO 79 HA PRO 79 7.438 -5.022 -5.022 571 1HB PRO 79 2HB PRO 79 7.036 -4.163 -4.163 572 2HB PRO 79 1HB PRO 79 5.676 -4.533 -4.533 573 1HG PRO 79 2HG PRO 79 6.947 -6.335 -6.335 574 2HG PRO 79 1HG PRO 79 5.233 -5.903 -5.903 575 1HD PRO 79 2HD PRO 79 6.330 -8.220 -8.220 576 2HD PRO 79 1HD PRO 79 5.078 -7.310 -7.310 577 H GLY 80 H GLY 80 9.113 -3.787 -3.787 578 1HA GLY 80 1HA GLY 80 11.258 -3.248 -3.248 579 2HA GLY 80 2HA GLY 80 11.230 -4.718 -4.718 580 H ALA 81 H ALA 81 11.107 -6.793 -6.793 581 HA ALA 81 HA ALA 81 13.482 -7.172 -7.172 582 1HB ALA 81 3HB ALA 81 10.871 -8.718 -8.718 583 2HB ALA 81 1HB ALA 81 12.439 -9.289 -9.289 584 3HB ALA 81 2HB ALA 81 12.208 -9.011 -9.011 585 H PHE 82 H PHE 82 10.166 -6.654 -6.654 586 HA PHE 82 HA PHE 82 10.751 -6.618 -6.618 587 1HB PHE 82 2HB PHE 82 8.467 -6.271 -6.271 588 2HB PHE 82 1HB PHE 82 8.980 -4.665 -4.665 589 HD1 PHE 82 HD1 PHE 82 8.664 -6.883 -6.883 590 HD2 PHE 82 HD2 PHE 82 8.378 -2.884 -2.884 591 HE1 PHE 82 HE1 PHE 82 8.079 -6.019 -6.019 592 HE2 PHE 82 HE2 PHE 82 7.908 -2.018 -2.018 593 HZ PHE 82 HZ PHE 82 7.806 -3.575 -3.575 594 H LEU 83 H LEU 83 11.154 -3.861 -3.861 595 HA LEU 83 HA LEU 83 11.838 -1.881 -1.881 596 1HB LEU 83 2HB LEU 83 12.617 -1.931 -1.931 597 2HB LEU 83 1HB LEU 83 12.277 -0.586 -0.586 598 HG LEU 83 HG LEU 83 10.193 -2.511 -2.511 599 1HD1 LEU 83 2HD1 LEU 83 10.897 0.373 0.373 600 2HD1 LEU 83 3HD1 LEU 83 9.513 -0.555 -0.555 601 3HD1 LEU 83 1HD1 LEU 83 11.156 -1.059 -1.059 602 1HD2 LEU 83 2HD2 LEU 83 9.727 -1.518 -1.518 603 2HD2 LEU 83 1HD2 LEU 83 8.612 -0.958 -0.958 604 3HD2 LEU 83 3HD2 LEU 83 9.953 0.089 0.089 605 H LYS 84 HN LYS 84 13.580 -3.719 -3.719 606 HA LYS 84 HA LYS 84 16.199 -2.898 -2.898 607 1HB LYS 84 2HB LYS 84 15.148 -5.631 -5.631 608 2HB LYS 84 1HB LYS 84 16.856 -5.175 -5.175 609 1HG LYS 84 1HG LYS 84 16.433 -3.430 -3.430 610 2HG LYS 84 2HG LYS 84 14.680 -3.561 -3.561 611 1HD LYS 84 2HD LYS 84 14.682 -5.829 -5.829 612 2HD LYS 84 1HD LYS 84 16.448 -5.774 -5.774 613 1HE LYS 84 2HE LYS 84 16.265 -3.890 -3.890 614 2HE LYS 84 1HE LYS 84 14.502 -3.876 -3.876 615 1HZ LYS 84 2HZ LYS 84 14.450 -6.084 -6.084 616 2HZ LYS 84 3HZ LYS 84 16.087 -6.093 -6.093 617 3HZ LYS 84 1HZ LYS 84 15.163 -5.040 -5.040 618 H GLU 85 HN GLU 85 14.471 -5.603 -5.603 619 HA GLU 85 HA GLU 85 16.574 -6.371 -6.371 620 1HB GLU 85 1HB GLU 85 14.676 -7.811 -7.811 621 2HB GLU 85 2HB GLU 85 13.539 -6.680 -6.680 622 1HG GLU 85 2HG GLU 85 14.618 -7.061 -7.061 623 2HG GLU 85 1HG GLU 85 15.748 -8.187 -8.187 624 H LYS 86 HN LYS 86 13.552 -4.568 -4.568 625 HA LYS 86 HA LYS 86 14.296 -4.000 -4.000 626 1HB LYS 86 1HB LYS 86 12.420 -2.525 -2.525 627 2HB LYS 86 2HB LYS 86 12.482 -2.263 -2.263 628 1HG LYS 86 1HG LYS 86 11.808 -4.926 -4.926 629 2HG LYS 86 2HG LYS 86 10.632 -3.768 -3.768 630 1HD LYS 86 2HD LYS 86 12.655 -5.279 -5.279 631 2HD LYS 86 1HD LYS 86 10.965 -5.704 -5.704 632 1HE LYS 86 2HE LYS 86 11.957 -3.131 -3.131 633 2HE LYS 86 1HE LYS 86 11.318 -4.555 -4.555 634 1HZ LYS 86 3HZ LYS 86 9.232 -4.225 -4.225 635 2HZ LYS 86 1HZ LYS 86 9.819 -2.880 -2.880 636 3HZ LYS 86 2HZ LYS 86 9.653 -2.902 -2.902 637 H LEU 87 H LEU 87 14.967 -2.052 -2.052 638 HA LEU 87 HA LEU 87 16.236 0.038 0.038 639 1HB LEU 87 2HB LEU 87 14.669 0.496 0.496 640 2HB LEU 87 1HB LEU 87 15.867 -0.190 -0.190 641 HG LEU 87 HG LEU 87 17.409 1.642 1.642 642 1HD1 LEU 87 3HD2 LEU 87 15.281 2.588 2.588 643 2HD1 LEU 87 2HD2 LEU 87 16.621 3.594 3.594 644 3HD1 LEU 87 1HD2 LEU 87 16.966 2.152 2.152 645 1HD2 LEU 87 1HD1 LEU 87 15.685 1.921 1.921 646 2HD2 LEU 87 2HD1 LEU 87 16.110 3.463 3.463 647 3HD2 LEU 87 3HD1 LEU 87 14.591 2.652 2.652 648 H ASP 88 HN ASP 88 17.292 -2.946 -2.946 649 HA ASP 88 HA ASP 88 19.167 -3.868 -3.868 650 1HB ASP 88 2HB ASP 88 19.662 -3.526 -3.526 651 2HB ASP 88 1HB ASP 88 20.143 -1.858 -1.858 652 H ASP 89 HN ASP 89 18.418 -2.646 -2.646 653 HA ASP 89 HA ASP 89 20.687 -1.105 -1.105 654 1HB ASP 89 2HB ASP 89 19.255 0.609 0.609 655 2HB ASP 89 1HB ASP 89 17.837 -0.077 -0.077 656 H LYS 90 HN LYS 90 20.521 -0.860 -0.860 657 HA LYS 90 HA LYS 90 19.441 -3.271 -3.271 658 1HB LYS 90 1HB LYS 90 21.916 -2.054 -2.054 659 2HB LYS 90 2HB LYS 90 21.216 -1.257 -1.257 660 1HG LYS 90 2HG LYS 90 21.416 -4.284 -4.284 661 2HG LYS 90 1HG LYS 90 22.465 -3.282 -3.282 662 1HD LYS 90 1HD LYS 90 20.469 -2.595 -2.595 663 2HD LYS 90 2HD LYS 90 19.460 -3.701 -3.701 664 1HE LYS 90 2HE LYS 90 20.880 -5.614 -5.614 665 2HE LYS 90 1HE LYS 90 21.879 -4.515 -4.515 666 1HZ LYS 90 3HZ LYS 90 19.014 -5.019 -5.019 667 2HZ LYS 90 1HZ LYS 90 20.242 -5.617 -5.617 668 3HZ LYS 90 2HZ LYS 90 19.945 -3.998 -3.998 669 H LYS 91 HN LYS 91 19.769 0.235 0.235 670 HA LYS 91 HA LYS 91 17.908 0.464 0.464 671 1HB LYS 91 1HB LYS 91 18.400 2.821 2.821 672 2HB LYS 91 2HB LYS 91 19.867 1.838 1.838 673 1HG LYS 91 1HG LYS 91 20.276 2.360 2.360 674 2HG LYS 91 2HG LYS 91 18.697 3.133 3.133 675 1HD LYS 91 2HD LYS 91 20.435 4.816 4.816 676 2HD LYS 91 1HD LYS 91 19.322 4.911 4.911 677 1HE LYS 91 1HE LYS 91 21.675 5.234 5.234 678 2HE LYS 91 2HE LYS 91 20.966 3.819 3.819 679 1HZ LYS 91 1HZ LYS 91 22.702 3.770 3.770 680 2HZ LYS 91 2HZ LYS 91 23.162 3.394 3.394 681 3HZ LYS 91 3HZ LYS 91 22.064 2.450 2.450 682 H ALA 92 H ALA 92 16.593 -0.718 -0.718 683 HA ALA 92 HA ALA 92 14.671 1.373 1.373 684 1HB ALA 92 2HB ALA 92 15.954 0.233 0.233 685 2HB ALA 92 1HB ALA 92 15.318 -1.324 -1.324 686 3HB ALA 92 3HB ALA 92 14.225 -0.076 -0.076 687 H LYS 93 HN LYS 93 13.375 1.332 1.332 688 HA LYS 93 HA LYS 93 11.945 -1.229 -1.229 689 1HB LYS 93 1HB LYS 93 12.804 0.758 0.758 690 2HB LYS 93 2HB LYS 93 12.169 -0.885 -0.885 691 1HG LYS 93 1HG LYS 93 14.287 -1.705 -1.705 692 2HG LYS 93 2HG LYS 93 14.893 -0.038 -0.038 693 1HD LYS 93 2HD LYS 93 14.472 -0.195 -0.195 694 2HD LYS 93 1HD LYS 93 14.277 -1.938 -1.938 695 1HE LYS 93 2HE LYS 93 16.740 -0.225 -0.225 696 2HE LYS 93 1HE LYS 93 16.579 -1.451 -1.451 697 1HZ LYS 93 2HZ LYS 93 16.308 -3.085 -3.085 698 2HZ LYS 93 3HZ LYS 93 16.603 -1.923 -1.923 699 3HZ LYS 93 1HZ LYS 93 17.768 -2.322 -2.322 700 H THR 94 H THR 94 9.691 -0.950 -0.950 701 HA THR 94 HA THR 94 8.604 1.744 1.744 702 HB THR 94 HB THR 94 7.686 0.215 0.215 703 HG1 THR 94 HG1 THR 94 5.605 -0.001 -0.001 704 1HG2 THR 94 1HG2 THR 94 7.402 -1.800 -1.800 705 2HG2 THR 94 3HG2 THR 94 6.718 -1.996 -1.996 706 3HG2 THR 94 2HG2 THR 94 8.470 -1.953 -1.953 707 H GLY 95 H GLY 95 6.927 2.496 2.496 708 1HA GLY 95 1HA GLY 95 7.219 1.916 1.916 709 2HA GLY 95 2HA GLY 95 5.925 2.857 2.857 710 H MET 96 H MET 96 5.483 0.311 0.311 711 HA MET 96 HA MET 96 3.305 -0.658 -0.658 712 1HB MET 96 2HB MET 96 3.579 -0.567 -0.567 713 2HB MET 96 1HB MET 96 4.577 -2.006 -2.006 714 1HG MET 96 1HG MET 96 2.857 -3.377 -3.377 715 2HG MET 96 2HG MET 96 1.907 -2.034 -2.034 716 1HE MET 96 1HE MET 96 3.310 -2.690 -2.690 717 2HE MET 96 3HE MET 96 2.718 -4.271 -4.271 718 3HE MET 96 2HE MET 96 1.841 -3.402 -3.402 719 H ALA 97 H ALA 97 4.291 -1.280 -1.280 720 HA ALA 97 HA ALA 97 5.691 -3.826 -3.826 721 1HB ALA 97 2HB ALA 97 5.917 -2.065 -2.065 722 2HB ALA 97 1HB ALA 97 4.188 -2.197 -2.197 723 3HB ALA 97 3HB ALA 97 5.281 -3.562 -3.562 724 H PHE 98 H PHE 98 3.876 -4.572 -4.572 725 HA PHE 98 HA PHE 98 2.067 -6.413 -6.413 726 1HB PHE 98 2HB PHE 98 0.565 -4.582 -4.582 727 2HB PHE 98 1HB PHE 98 1.174 -3.897 -3.897 728 HD1 PHE 98 HD2 PHE 98 0.567 -4.708 -4.708 729 HD2 PHE 98 HD1 PHE 98 -1.102 -6.499 -6.499 730 HE1 PHE 98 HE2 PHE 98 -0.895 -6.078 -6.078 731 HE2 PHE 98 HE1 PHE 98 -2.665 -7.801 -7.801 732 HZ PHE 98 HZ PHE 98 -2.545 -7.634 -7.634 733 H LYS 99 HN LYS 99 1.308 -7.964 -7.964 734 HA LYS 99 HA LYS 99 2.268 -7.796 -7.796 735 1HB LYS 99 2HB LYS 99 2.967 -10.277 -10.277 736 2HB LYS 99 1HB LYS 99 3.465 -9.846 -9.846 737 1HG LYS 99 2HG LYS 99 4.796 -7.951 -7.951 738 2HG LYS 99 1HG LYS 99 4.461 -8.615 -8.615 739 1HD LYS 99 1HD LYS 99 5.850 -10.122 -10.122 740 2HD LYS 99 2HD LYS 99 6.673 -9.317 -9.317 741 1HE LYS 99 2HE LYS 99 5.461 -10.827 -10.827 742 2HE LYS 99 1HE LYS 99 4.738 -11.674 -11.674 743 1HZ LYS 99 3HZ LYS 99 6.925 -12.238 -12.238 744 2HZ LYS 99 2HZ LYS 99 7.608 -11.463 -11.463 745 3HZ LYS 99 1HZ LYS 99 6.662 -12.790 -12.790 746 H LEU 100 H LEU 100 1.322 -9.781 -9.781 747 HA LEU 100 HA LEU 100 -1.298 -10.583 -10.583 748 1HB LEU 100 2HB LEU 100 -1.363 -9.230 -9.230 749 2HB LEU 100 1HB LEU 100 -0.260 -10.403 -10.403 750 HG LEU 100 HG LEU 100 -1.991 -12.143 -12.143 751 1HD1 LEU 100 3HD1 LEU 100 -3.804 -10.003 -10.003 752 2HD1 LEU 100 1HD1 LEU 100 -4.298 -11.612 -11.612 753 3HD1 LEU 100 2HD1 LEU 100 -3.265 -11.476 -11.476 754 1HD2 LEU 100 3HD2 LEU 100 -2.933 -9.569 -9.569 755 2HD2 LEU 100 1HD2 LEU 100 -1.830 -10.781 -10.781 756 3HD2 LEU 100 2HD2 LEU 100 -3.530 -11.201 -11.201 757 H ALA 101 H ALA 101 -1.735 -12.826 -12.826 758 HA ALA 101 HA ALA 101 0.712 -14.551 -14.551 759 1HB ALA 101 2HB ALA 101 -0.318 -14.416 -14.416 760 2HB ALA 101 3HB ALA 101 -1.882 -14.921 -14.921 761 3HB ALA 101 1HB ALA 101 -0.486 -16.042 -16.042 762 H LYS 102 HN LYS 102 -0.510 -13.551 -13.551 763 HA LYS 102 HA LYS 102 -1.344 -15.967 -15.967 764 1HB LYS 102 1HB LYS 102 -3.076 -13.453 -13.453 765 2HB LYS 102 2HB LYS 102 -3.268 -14.885 -14.885 766 1HG LYS 102 2HG LYS 102 -3.692 -16.239 -16.239 767 2HG LYS 102 1HG LYS 102 -3.679 -14.733 -14.733 768 1HD LYS 102 2HD LYS 102 -5.497 -13.819 -13.819 769 2HD LYS 102 1HD LYS 102 -5.577 -15.363 -15.363 770 1HE LYS 102 1HE LYS 102 -6.092 -14.940 -14.940 771 2HE LYS 102 2HE LYS 102 -7.331 -15.153 -15.153 772 1HZ LYS 102 1HZ LYS 102 -6.425 -17.329 -17.329 773 2HZ LYS 102 3HZ LYS 102 -5.297 -17.135 -17.135 774 3HZ LYS 102 2HZ LYS 102 -6.897 -17.184 -17.184 775 H GLY 103 H GLY 103 -1.362 -15.357 -15.357 776 1HA GLY 103 1HA GLY 103 1.044 -13.949 -13.949 777 2HA GLY 103 2HA GLY 103 -0.169 -14.532 -14.532 778 H GLY 104 H GLY 104 -2.000 -12.639 -12.639 779 1HA GLY 104 1HA GLY 104 -2.924 -10.568 -10.568 780 2HA GLY 104 2HA GLY 104 -1.309 -9.995 -9.995 781 H GLU 105 HN GLU 105 -2.576 -12.382 -12.382 782 HA GLU 105 HA GLU 105 -2.697 -10.623 -10.623 783 1HB GLU 105 1HB GLU 105 -3.565 -12.525 -12.525 784 2HB GLU 105 2HB GLU 105 -2.233 -13.028 -13.028 785 1HG GLU 105 2HG GLU 105 -5.207 -13.500 -13.500 786 2HG GLU 105 1HG GLU 105 -4.036 -14.690 -14.690 787 H ASP 106 HN ASP 106 -5.174 -12.059 -12.059 788 HA ASP 106 HA ASP 106 -7.504 -11.005 -11.005 789 1HB ASP 106 1HB ASP 106 -8.534 -11.488 -11.488 790 2HB ASP 106 2HB ASP 106 -7.445 -12.798 -12.798 791 H VAL 107 H VAL 107 -5.565 -9.690 -9.690 792 HA VAL 107 HA VAL 107 -6.961 -7.244 -7.244 793 HB VAL 107 HB VAL 107 -4.106 -8.115 -8.115 794 1HG1 VAL 107 3HG1 VAL 107 -5.474 -5.523 -5.523 795 2HG1 VAL 107 1HG1 VAL 107 -3.963 -6.186 -6.186 796 3HG1 VAL 107 2HG1 VAL 107 -4.017 -5.681 -5.681 797 1HG2 VAL 107 2HG2 VAL 107 -5.939 -9.237 -9.237 798 2HG2 VAL 107 1HG2 VAL 107 -4.950 -8.204 -8.204 799 3HG2 VAL 107 3HG2 VAL 107 -6.544 -7.645 -7.645 800 H ALA 108 H ALA 108 -4.086 -7.997 -7.997 801 HA ALA 108 HA ALA 108 -3.733 -5.382 -5.382 802 1HB ALA 108 2HB ALA 108 -3.152 -8.085 -8.085 803 2HB ALA 108 1HB ALA 108 -2.555 -6.515 -6.515 804 3HB ALA 108 3HB ALA 108 -2.061 -7.128 -7.128 805 H ALA 109 H ALA 109 -5.744 -8.102 -8.102 806 HA ALA 109 HA ALA 109 -6.761 -6.719 -6.719 807 1HB ALA 109 1HB ALA 109 -6.942 -9.134 -9.134 808 2HB ALA 109 2HB ALA 109 -8.076 -8.913 -8.913 809 3HB ALA 109 3HB ALA 109 -8.535 -8.409 -8.409 810 H TYR 110 H TYR 110 -7.968 -6.912 -6.912 811 HA TYR 110 HA TYR 110 -10.314 -5.365 -5.365 812 1HB TYR 110 1HB TYR 110 -10.030 -6.546 -6.546 813 2HB TYR 110 2HB TYR 110 -8.507 -5.755 -5.755 814 HD1 TYR 110 HD2 TYR 110 -12.087 -4.802 -4.802 815 HD2 TYR 110 HD1 TYR 110 -8.507 -4.011 -4.011 816 HE1 TYR 110 HE2 TYR 110 -13.244 -2.962 -2.962 817 HE2 TYR 110 HE1 TYR 110 -9.662 -2.170 -2.170 818 HH TYR 110 HH TYR 110 -11.642 -1.065 -1.065 819 H LEU 111 H LEU 111 -6.968 -4.250 -4.250 820 HA LEU 111 HA LEU 111 -7.625 -1.527 -1.527 821 1HB LEU 111 2HB LEU 111 -5.084 -3.133 -3.133 822 2HB LEU 111 1HB LEU 111 -5.079 -1.382 -1.382 823 HG LEU 111 HG LEU 111 -6.336 -3.059 -3.059 824 1HD1 LEU 111 1HD1 LEU 111 -3.957 -3.674 -3.674 825 2HD1 LEU 111 2HD1 LEU 111 -3.504 -1.962 -1.962 826 3HD1 LEU 111 3HD1 LEU 111 -4.303 -2.823 -2.823 827 1HD2 LEU 111 3HD2 LEU 111 -5.374 -0.167 -0.167 828 2HD2 LEU 111 2HD2 LEU 111 -7.049 -0.711 -0.711 829 3HD2 LEU 111 1HD2 LEU 111 -5.866 -0.979 -0.979 830 H ALA 112 H ALA 112 -6.362 -3.544 -3.544 831 HA ALA 112 HA ALA 112 -6.257 -1.517 -1.517 832 1HB ALA 112 3HB ALA 112 -5.424 -3.819 -3.819 833 2HB ALA 112 1HB ALA 112 -7.095 -4.419 -4.419 834 3HB ALA 112 2HB ALA 112 -6.510 -3.302 -3.302 835 H SER 113 H SER 113 -9.079 -3.496 -3.496 836 HA SER 113 HA SER 113 -10.956 -2.322 -2.322 837 1HB SER 113 1HB SER 113 -11.573 -3.408 -3.408 838 2HB SER 113 2HB SER 113 -12.661 -3.257 -3.257 839 HG SER 113 HG SER 113 -10.341 -4.918 -4.918 840 H VAL 114 H VAL 114 -9.787 -1.301 -1.301 841 HA VAL 114 HA VAL 114 -11.682 0.846 0.846 842 HB VAL 114 HB VAL 114 -8.997 0.291 0.291 843 1HG1 VAL 114 1HG1 VAL 114 -11.059 2.387 2.387 844 2HG1 VAL 114 2HG1 VAL 114 -9.627 1.934 1.934 845 3HG1 VAL 114 3HG1 VAL 114 -9.421 2.707 2.707 846 1HG2 VAL 114 3HG2 VAL 114 -10.898 -1.310 -1.310 847 2HG2 VAL 114 1HG2 VAL 114 -10.353 -0.379 -0.379 848 3HG2 VAL 114 2HG2 VAL 114 -11.848 0.072 0.072 849 H VAL 115 H VAL 115 -8.514 0.595 0.595 850 HA VAL 115 HA VAL 115 -8.143 3.427 3.427 851 HB VAL 115 HB VAL 115 -6.842 1.071 1.071 852 1HG1 VAL 115 1HG1 VAL 115 -6.103 4.027 4.027 853 2HG1 VAL 115 3HG1 VAL 115 -5.051 2.726 2.726 854 3HG1 VAL 115 2HG1 VAL 115 -6.566 3.074 3.074 855 1HG2 VAL 115 3HG2 VAL 115 -6.500 2.241 2.241 856 2HG2 VAL 115 2HG2 VAL 115 -5.821 0.763 0.763 857 3HG2 VAL 115 1HG2 VAL 115 -5.014 2.307 2.307 858 H LYS 116 HN LYS 116 -9.944 4.288 4.288 859 HA LYS 116 HA LYS 116 -10.190 4.275 4.275 860 1HB LYS 116 1HB LYS 116 -12.610 3.853 3.853 861 2HB LYS 116 2HB LYS 116 -11.742 2.452 2.452 862 1HG LYS 116 1HG LYS 116 -12.195 3.397 3.397 863 2HG LYS 116 2HG LYS 116 -13.260 4.585 4.585 864 1HD LYS 116 1HD LYS 116 -14.728 2.846 2.846 865 2HD LYS 116 2HD LYS 116 -13.595 1.566 1.566 866 1HE LYS 116 1HE LYS 116 -14.930 3.487 3.487 867 2HE LYS 116 2HE LYS 116 -15.519 1.853 1.853 868 1HZ LYS 116 1HZ LYS 116 -13.359 1.024 1.024 869 2HZ LYS 116 3HZ LYS 116 -12.927 2.538 2.538 870 3HZ LYS 116 2HZ LYS 116 -14.192 1.780 1.780 871 HHA HEC 117 HHA HEM 117 2.664 2.462 2.462 872 HHB HEC 117 HHB HEM 117 -1.145 -2.097 -2.097 873 HHC HEC 117 HHC HEM 117 -2.757 -3.746 -3.746 874 HHD HEC 117 HHD HEM 117 1.045 0.851 0.851 875 1HMA HEC 117 1HMA HEM 117 -0.385 -0.676 -0.676 876 2HMA HEC 117 2HMA HEM 117 1.212 -0.014 -0.014 877 3HMA HEC 117 3HMA HEM 117 1.074 -1.684 -1.684 878 1HAA HEC 117 1HAA HEM 117 3.230 2.123 2.123 879 2HAA HEC 117 2HAA HEM 117 2.890 1.172 1.172 880 1HBA HEC 117 1HBA HEM 117 0.998 3.312 3.312 881 2HBA HEC 117 2HBA HEM 117 0.894 2.460 2.460 882 1HMB HEC 117 1HMB HEM 117 -2.542 -4.461 -4.461 883 2HMB HEC 117 2HMB HEM 117 -4.174 -4.215 -4.215 884 3HMB HEC 117 3HMB HEM 117 -3.341 -2.875 -2.875 885 HAB HEC 117 HAB HEM 117 -3.701 -5.118 -5.118 886 1HBB HEC 117 1HBB HEM 117 -2.452 -6.582 -6.582 887 2HBB HEC 117 2HBB HEM 117 -3.684 -6.214 -6.214 888 3HBB HEC 117 3HBB HEM 117 -4.141 -7.045 -7.045 889 1HMC HEC 117 1HMC HEM 117 -2.953 -2.556 -2.556 890 2HMC HEC 117 2HMC HEM 117 -2.478 -3.911 -3.911 891 3HMC HEC 117 3HMC HEM 117 -3.773 -2.801 -2.801 892 HAC HEC 117 HAC HEM 117 -0.428 0.464 0.464 893 1HBC HEC 117 1HBC HEM 117 -1.237 -2.235 -2.235 894 2HBC HEC 117 2HBC HEM 117 0.428 -1.687 -1.687 895 3HBC HEC 117 3HBC HEM 117 -0.617 -0.833 -0.833 896 1HMD HEC 117 1HMD HEM 117 1.929 3.449 3.449 897 2HMD HEC 117 2HMD HEM 117 2.988 2.053 2.053 898 3HMD HEC 117 3HMD HEM 117 3.600 3.460 3.460 899 1HAD HEC 117 1HAD HEM 117 3.106 4.241 4.241 900 2HAD HEC 117 2HAD HEM 117 3.490 4.467 4.467 901 1HBD HEC 117 1HBD HEM 117 4.975 2.746 2.746 902 2HBD HEC 117 2HBD HEM 117 5.092 2.478 2.478 Start of MODEL 6 1 1H GLY 1 1H GLY 1 -6.329 -13.019 -13.019 2 2H GLY 1 2H GLY 1 -5.437 -13.406 -13.406 3 1HA GLY 1 1HA GLY 1 -6.375 -11.121 -11.121 4 2HA GLY 1 2HA GLY 1 -6.907 -12.218 -12.218 5 H ASP 2 HN ASP 2 -8.260 -13.111 -13.111 6 HA ASP 2 HA ASP 2 -10.931 -12.467 -12.467 7 1HB ASP 2 2HB ASP 2 -9.827 -13.376 -13.376 8 2HB ASP 2 1HB ASP 2 -11.524 -13.412 -13.412 9 H ALA 3 H ALA 3 -10.370 -10.067 -10.067 10 HA ALA 3 HA ALA 3 -10.040 -8.171 -8.171 11 1HB ALA 3 2HB ALA 3 -12.125 -8.115 -8.115 12 2HB ALA 3 3HB ALA 3 -11.509 -6.689 -6.689 13 3HB ALA 3 1HB ALA 3 -10.410 -7.668 -7.668 14 H ALA 4 H ALA 4 -13.098 -9.923 -9.923 15 HA ALA 4 HA ALA 4 -14.725 -8.414 -8.414 16 1HB ALA 4 3HB ALA 4 -15.630 -10.010 -10.010 17 2HB ALA 4 1HB ALA 4 -14.892 -11.365 -11.365 18 3HB ALA 4 2HB ALA 4 -16.183 -10.405 -10.405 19 H LYS 5 HN LYS 5 -12.483 -11.141 -11.141 20 HA LYS 5 HA LYS 5 -13.308 -11.442 -11.442 21 1HB LYS 5 1HB LYS 5 -10.944 -12.573 -12.573 22 2HB LYS 5 2HB LYS 5 -11.338 -12.916 -12.916 23 1HG LYS 5 1HG LYS 5 -13.501 -13.901 -13.901 24 2HG LYS 5 2HG LYS 5 -13.201 -13.486 -13.486 25 1HD LYS 5 1HD LYS 5 -12.734 -15.826 -15.826 26 2HD LYS 5 2HD LYS 5 -11.219 -14.989 -14.989 27 1HE LYS 5 2HE LYS 5 -10.597 -15.041 -15.041 28 2HE LYS 5 1HE LYS 5 -12.163 -15.771 -15.771 29 1HZ LYS 5 2HZ LYS 5 -10.099 -16.961 -16.961 30 2HZ LYS 5 1HZ LYS 5 -10.421 -17.383 -17.383 31 3HZ LYS 5 3HZ LYS 5 -11.543 -17.655 -17.655 32 H GLY 6 H GLY 6 -10.676 -10.074 -10.074 33 1HA GLY 6 1HA GLY 6 -8.962 -9.043 -9.043 34 2HA GLY 6 2HA GLY 6 -9.282 -8.280 -8.280 35 H GLU 7 HN GLU 7 -11.908 -7.481 -7.481 36 HA GLU 7 HA GLU 7 -11.899 -5.107 -5.107 37 1HB GLU 7 1HB GLU 7 -13.488 -5.759 -5.759 38 2HB GLU 7 2HB GLU 7 -14.311 -6.849 -6.849 39 1HG GLU 7 2HG GLU 7 -15.004 -4.973 -4.973 40 2HG GLU 7 1HG GLU 7 -14.060 -3.841 -3.841 41 H LYS 8 HN LYS 8 -13.052 -8.298 -8.298 42 HA LYS 8 HA LYS 8 -14.158 -7.206 -7.206 43 1HB LYS 8 1HB LYS 8 -13.533 -10.088 -10.088 44 2HB LYS 8 2HB LYS 8 -14.533 -9.538 -9.538 45 1HG LYS 8 1HG LYS 8 -16.116 -8.483 -8.483 46 2HG LYS 8 2HG LYS 8 -15.117 -9.066 -9.066 47 1HD LYS 8 1HD LYS 8 -15.462 -11.436 -11.436 48 2HD LYS 8 2HD LYS 8 -16.609 -10.762 -10.762 49 1HE LYS 8 2HE LYS 8 -17.892 -11.561 -11.561 50 2HE LYS 8 1HE LYS 8 -17.915 -9.792 -9.792 51 1HZ LYS 8 2HZ LYS 8 -16.129 -9.954 -9.954 52 2HZ LYS 8 1HZ LYS 8 -16.197 -11.594 -11.594 53 3HZ LYS 8 3HZ LYS 8 -17.492 -10.746 -10.746 54 H GLU 9 HN GLU 9 -11.302 -9.056 -9.056 55 HA GLU 9 HA GLU 9 -10.094 -9.362 -9.362 56 1HB GLU 9 1HB GLU 9 -9.543 -10.546 -10.546 57 2HB GLU 9 2HB GLU 9 -8.585 -9.115 -9.115 58 1HG GLU 9 1HG GLU 9 -7.210 -9.440 -9.440 59 2HG GLU 9 2HG GLU 9 -8.262 -10.794 -10.794 60 H PHE 10 H PHE 10 -10.051 -6.704 -6.704 61 HA PHE 10 HA PHE 10 -8.073 -5.099 -5.099 62 1HB PHE 10 2HB PHE 10 -9.532 -4.744 -4.744 63 2HB PHE 10 1HB PHE 10 -10.710 -3.998 -3.998 64 HD1 PHE 10 HD2 PHE 10 -7.267 -3.773 -3.773 65 HD2 PHE 10 HD1 PHE 10 -10.266 -1.778 -1.778 66 HE1 PHE 10 HE2 PHE 10 -5.959 -1.681 -1.681 67 HE2 PHE 10 HE1 PHE 10 -8.930 0.321 0.321 68 HZ PHE 10 HZ PHE 10 -6.823 0.393 0.393 69 H ASN 11 H ASN 11 -11.002 -5.974 -5.974 70 HA ASN 11 HA ASN 11 -11.298 -3.753 -3.753 71 1HB ASN 11 2HB ASN 11 -12.817 -5.668 -5.668 72 2HB ASN 11 1HB ASN 11 -11.536 -6.722 -6.722 73 1HD2 ASN 11 1HD2 ASN 11 -12.022 -5.691 -5.691 74 2HD2 ASN 11 2HD2 ASN 11 -11.218 -6.791 -6.791 75 H LYS 12 HN LYS 12 -8.752 -6.263 -6.263 76 HA LYS 12 HA LYS 12 -7.586 -5.508 -5.508 77 1HB LYS 12 2HB LYS 12 -6.529 -7.107 -7.107 78 2HB LYS 12 1HB LYS 12 -5.705 -6.933 -6.933 79 1HG LYS 12 2HG LYS 12 -7.657 -7.892 -7.892 80 2HG LYS 12 1HG LYS 12 -8.497 -8.132 -8.132 81 1HD LYS 12 1HD LYS 12 -5.833 -9.435 -9.435 82 2HD LYS 12 2HD LYS 12 -7.429 -10.194 -10.194 83 1HE LYS 12 2HE LYS 12 -7.766 -9.741 -9.741 84 2HE LYS 12 1HE LYS 12 -6.053 -9.288 -9.288 85 1HZ LYS 12 2HZ LYS 12 -5.508 -11.471 -11.471 86 2HZ LYS 12 1HZ LYS 12 -7.101 -11.890 -11.890 87 3HZ LYS 12 3HZ LYS 12 -6.379 -11.559 -11.559 88 H CYS 13 H CYS 13 -7.414 -4.263 -4.263 89 HA CYS 13 HA CYS 13 -4.847 -2.884 -2.884 90 1HB CYS 13 1HB CYS 13 -6.908 -2.489 -2.489 91 2HB CYS 13 2HB CYS 13 -5.219 -1.967 -1.967 92 H LYS 14 HN LYS 14 -8.326 -2.148 -2.148 93 HA LYS 14 HA LYS 14 -8.504 0.542 0.542 94 1HB LYS 14 1HB LYS 14 -10.357 -0.975 -0.975 95 2HB LYS 14 2HB LYS 14 -10.167 -1.712 -1.712 96 1HG LYS 14 1HG LYS 14 -10.803 0.425 0.425 97 2HG LYS 14 2HG LYS 14 -11.080 1.124 1.124 98 1HD LYS 14 1HD LYS 14 -12.706 -0.832 -0.832 99 2HD LYS 14 2HD LYS 14 -12.536 -1.229 -1.229 100 1HE LYS 14 1HE LYS 14 -13.531 1.440 1.440 101 2HE LYS 14 2HE LYS 14 -14.549 0.160 0.160 102 1HZ LYS 14 2HZ LYS 14 -13.454 0.476 0.476 103 2HZ LYS 14 1HZ LYS 14 -12.499 1.663 1.663 104 3HZ LYS 14 3HZ LYS 14 -14.116 1.894 1.894 105 H THR 15 H THR 15 -7.639 -1.897 -1.897 106 HA THR 15 HA THR 15 -7.986 -0.481 -0.481 107 HB THR 15 HB THR 15 -5.626 -2.308 -2.308 108 HG1 THR 15 HG1 THR 15 -8.388 -2.923 -2.923 109 1HG2 THR 15 1HG2 THR 15 -7.517 -2.067 -2.067 110 2HG2 THR 15 2HG2 THR 15 -6.154 -3.195 -3.195 111 3HG2 THR 15 3HG2 THR 15 -5.851 -1.449 -1.449 112 H CYS 16 H CYS 16 -5.466 -0.133 -0.133 113 HA CYS 16 HA CYS 16 -4.094 2.009 2.009 114 1HB CYS 16 2HB CYS 16 -3.121 -0.107 -0.107 115 2HB CYS 16 1HB CYS 16 -2.194 1.366 1.366 116 H HIS 17 HN HIS 17 -5.418 1.032 1.032 117 HA HIS 17 HA HIS 17 -4.642 3.631 3.631 118 1HB HIS 17 2HB HIS 17 -5.424 0.944 0.944 119 2HB HIS 17 1HB HIS 17 -5.039 2.373 2.373 120 HD1 HIS 17 HD1 HIS 17 -2.693 3.344 3.344 121 HD2 HIS 17 HD2 HIS 17 -2.955 -0.484 -0.484 122 HE1 HIS 17 HE1 HIS 17 -0.407 2.297 2.297 123 H SER 18 H SER 18 -6.326 3.843 3.843 124 HA SER 18 HA SER 18 -9.107 3.374 3.374 125 1HB SER 18 1HB SER 18 -7.839 6.157 6.157 126 2HB SER 18 2HB SER 18 -9.565 5.894 5.894 127 HG SER 18 HG SER 18 -8.050 5.010 5.010 128 H ILE 19 H ILE 19 -10.468 4.423 4.423 129 HA ILE 19 HA ILE 19 -9.105 4.898 4.898 130 HB ILE 19 HB ILE 19 -10.887 2.545 2.545 131 1HG1 ILE 19 1HG1 ILE 19 -8.906 2.975 2.975 132 2HG1 ILE 19 2HG1 ILE 19 -8.359 2.599 2.599 133 1HG2 ILE 19 3HG2 ILE 19 -11.098 4.180 4.180 134 2HG2 ILE 19 2HG2 ILE 19 -11.680 2.520 2.520 135 3HG2 ILE 19 1HG2 ILE 19 -12.400 3.808 3.808 136 1HD1 ILE 19 1HD1 ILE 19 -9.733 0.535 0.535 137 2HD1 ILE 19 3HD1 ILE 19 -10.211 0.850 0.850 138 3HD1 ILE 19 2HD1 ILE 19 -8.511 0.548 0.548 139 H ILE 20 H ILE 20 -10.117 6.437 6.437 140 HA ILE 20 HA ILE 20 -12.351 7.887 7.887 141 HB ILE 20 HB ILE 20 -9.776 8.750 8.750 142 1HG1 ILE 20 2HG1 ILE 20 -10.804 11.156 11.156 143 2HG1 ILE 20 1HG1 ILE 20 -12.349 10.294 10.294 144 1HG2 ILE 20 3HG2 ILE 20 -9.585 8.561 8.561 145 2HG2 ILE 20 2HG2 ILE 20 -10.795 9.852 9.852 146 3HG2 ILE 20 1HG2 ILE 20 -9.255 10.174 10.174 147 1HD1 ILE 20 1HD1 ILE 20 -11.441 9.101 9.101 148 2HD1 ILE 20 2HD1 ILE 20 -10.211 10.361 10.361 149 3HD1 ILE 20 3HD1 ILE 20 -11.927 10.812 10.812 150 H ALA 21 H ALA 21 -13.868 8.831 8.831 151 HA ALA 21 HA ALA 21 -14.029 7.521 7.521 152 1HB ALA 21 3HB ALA 21 -15.841 9.466 9.466 153 2HB ALA 21 2HB ALA 21 -16.210 8.812 8.812 154 3HB ALA 21 1HB ALA 21 -16.084 7.721 7.721 155 HA PRO 22 HA PRO 22 -12.460 10.938 10.938 156 1HB PRO 22 2HB PRO 22 -15.265 10.971 10.971 157 2HB PRO 22 1HB PRO 22 -13.706 11.162 11.162 158 1HG PRO 22 1HG PRO 22 -14.935 8.745 8.745 159 2HG PRO 22 2HG PRO 22 -13.183 8.855 8.855 160 1HD PRO 22 1HD PRO 22 -15.414 8.473 8.473 161 2HD PRO 22 2HD PRO 22 -13.794 7.725 7.725 162 H ASP 23 HN ASP 23 -15.762 11.286 11.286 163 HA ASP 23 HA ASP 23 -15.883 14.093 14.093 164 1HB ASP 23 2HB ASP 23 -17.380 12.080 12.080 165 2HB ASP 23 1HB ASP 23 -17.913 13.694 13.694 166 H GLY 24 H GLY 24 -13.541 12.549 12.549 167 1HA GLY 24 1HA GLY 24 -12.285 12.871 12.871 168 2HA GLY 24 2HA GLY 24 -13.004 14.489 14.489 169 H THR 25 H THR 25 -14.791 11.461 11.461 170 HA THR 25 HA THR 25 -15.662 12.087 12.087 171 HB THR 25 HB THR 25 -17.117 10.681 10.681 172 HG1 THR 25 HG1 THR 25 -16.817 13.064 13.064 173 1HG2 THR 25 2HG2 THR 25 -18.059 11.498 11.498 174 2HG2 THR 25 1HG2 THR 25 -19.086 10.862 10.862 175 3HG2 THR 25 3HG2 THR 25 -17.841 9.827 9.827 176 H GLU 26 HN GLU 26 -15.137 10.562 10.562 177 HA GLU 26 HA GLU 26 -13.421 8.359 8.359 178 1HB GLU 26 2HB GLU 26 -14.982 8.934 8.934 179 2HB GLU 26 1HB GLU 26 -13.662 7.771 7.771 180 1HG GLU 26 2HG GLU 26 -12.079 9.583 9.583 181 2HG GLU 26 1HG GLU 26 -13.371 10.791 10.791 182 H ILE 27 H ILE 27 -13.917 6.415 6.415 183 HA ILE 27 HA ILE 27 -16.732 5.405 5.405 184 HB ILE 27 HB ILE 27 -14.506 4.563 4.563 185 1HG1 ILE 27 2HG1 ILE 27 -15.368 6.674 6.674 186 2HG1 ILE 27 1HG1 ILE 27 -15.997 5.414 5.414 187 1HG2 ILE 27 1HG2 ILE 27 -17.348 3.520 3.520 188 2HG2 ILE 27 3HG2 ILE 27 -16.291 3.157 3.157 189 3HG2 ILE 27 2HG2 ILE 27 -15.837 2.629 2.629 190 1HD1 ILE 27 3HD1 ILE 27 -18.174 5.494 5.494 191 2HD1 ILE 27 1HD1 ILE 27 -17.515 6.896 6.896 192 3HD1 ILE 27 2HD1 ILE 27 -17.783 6.984 6.984 193 H VAL 28 H VAL 28 -13.278 4.403 4.403 194 HA VAL 28 HA VAL 28 -14.071 2.369 2.369 195 HB VAL 28 HB VAL 28 -11.472 2.567 2.567 196 1HG1 VAL 28 2HG2 VAL 28 -12.516 0.661 0.661 197 2HG1 VAL 28 1HG2 VAL 28 -11.123 0.313 0.313 198 3HG1 VAL 28 3HG2 VAL 28 -11.061 1.691 1.691 199 1HG2 VAL 28 1HG1 VAL 28 -13.798 0.595 0.595 200 2HG2 VAL 28 2HG1 VAL 28 -13.340 1.756 1.756 201 3HG2 VAL 28 3HG1 VAL 28 -12.246 0.423 0.423 202 H LYS 29 HN LYS 29 -14.580 4.135 4.135 203 HA LYS 29 HA LYS 29 -12.678 6.146 6.146 204 1HB LYS 29 1HB LYS 29 -15.130 6.431 6.431 205 2HB LYS 29 2HB LYS 29 -15.258 5.165 5.165 206 1HG LYS 29 1HG LYS 29 -14.021 6.514 6.514 207 2HG LYS 29 2HG LYS 29 -13.609 7.707 7.707 208 1HD LYS 29 1HD LYS 29 -15.998 8.281 8.281 209 2HD LYS 29 2HD LYS 29 -16.437 7.068 7.068 210 1HE LYS 29 2HE LYS 29 -15.108 8.302 8.302 211 2HE LYS 29 1HE LYS 29 -14.637 9.496 9.496 212 1HZ LYS 29 1HZ LYS 29 -17.381 8.961 8.961 213 2HZ LYS 29 2HZ LYS 29 -16.456 10.256 10.256 214 3HZ LYS 29 3HZ LYS 29 -16.936 10.070 10.070 215 H GLY 30 H GLY 30 -10.898 4.593 4.593 216 1HA GLY 30 1HA GLY 30 -10.896 2.938 2.938 217 2HA GLY 30 2HA GLY 30 -9.781 2.860 2.860 218 H ALA 31 H ALA 31 -8.072 3.061 3.061 219 HA ALA 31 HA ALA 31 -7.807 5.670 5.670 220 1HB ALA 31 2HB ALA 31 -7.092 3.579 3.579 221 2HB ALA 31 1HB ALA 31 -5.896 3.334 3.334 222 3HB ALA 31 3HB ALA 31 -5.757 4.730 4.730 223 H LYS 32 HN LYS 32 -5.541 6.688 6.688 224 HA LYS 32 HA LYS 32 -4.727 6.816 6.816 225 1HB LYS 32 2HB LYS 32 -4.826 9.104 9.104 226 2HB LYS 32 1HB LYS 32 -4.397 9.209 9.209 227 1HG LYS 32 1HG LYS 32 -7.148 8.474 8.474 228 2HG LYS 32 2HG LYS 32 -6.669 10.051 10.051 229 1HD LYS 32 1HD LYS 32 -6.254 9.106 9.106 230 2HD LYS 32 2HD LYS 32 -6.717 7.492 7.492 231 1HE LYS 32 1HE LYS 32 -8.564 9.919 9.919 232 2HE LYS 32 2HE LYS 32 -8.551 8.679 8.679 233 1HZ LYS 32 3HZ LYS 32 -9.113 8.162 8.162 234 2HZ LYS 32 2HZ LYS 32 -10.229 8.279 8.279 235 3HZ LYS 32 1HZ LYS 32 -9.129 7.050 7.050 236 H THR 33 H THR 33 -3.671 5.023 5.023 237 HA THR 33 HA THR 33 -1.237 6.118 6.118 238 HB THR 33 HB THR 33 -2.079 3.227 3.227 239 HG1 THR 33 HG1 THR 33 -3.527 4.561 4.561 240 1HG2 THR 33 2HG2 THR 33 -0.086 4.468 4.468 241 2HG2 THR 33 1HG2 THR 33 -0.567 2.760 2.760 242 3HG2 THR 33 3HG2 THR 33 0.322 3.464 3.464 243 H GLY 34 H GLY 34 -2.357 4.429 4.429 244 1HA GLY 34 1HA GLY 34 0.351 4.721 4.721 245 2HA GLY 34 2HA GLY 34 -0.798 3.427 3.427 246 HA PRO 35 HA PRO 35 -1.506 7.496 7.496 247 1HB PRO 35 2HB PRO 35 -0.806 6.508 6.508 248 2HB PRO 35 1HB PRO 35 0.362 7.270 7.270 249 1HG PRO 35 2HG PRO 35 -0.255 4.311 4.311 250 2HG PRO 35 1HG PRO 35 1.348 5.091 5.091 251 1HD PRO 35 2HD PRO 35 0.632 4.067 4.067 252 2HD PRO 35 1HD PRO 35 1.267 5.720 5.720 253 H ASN 36 H ASN 36 -3.504 7.783 7.783 254 HA ASN 36 HA ASN 36 -5.458 5.735 5.735 255 1HB ASN 36 1HB ASN 36 -5.931 8.144 8.144 256 2HB ASN 36 2HB ASN 36 -5.385 8.381 8.381 257 1HD2 ASN 36 1HD2 ASN 36 -8.370 6.994 6.994 258 2HD2 ASN 36 2HD2 ASN 36 -6.790 7.659 7.659 259 H LEU 37 H LEU 37 -5.696 4.091 4.091 260 HA LEU 37 HA LEU 37 -3.831 3.891 3.891 261 1HB LEU 37 1HB LEU 37 -5.641 1.792 1.792 262 2HB LEU 37 2HB LEU 37 -4.385 1.502 1.502 263 HG LEU 37 HG LEU 37 -3.934 2.474 2.474 264 1HD1 LEU 37 2HD1 LEU 37 -3.346 -0.173 -0.173 265 2HD1 LEU 37 1HD1 LEU 37 -2.782 0.251 0.251 266 3HD1 LEU 37 3HD1 LEU 37 -4.513 0.108 0.108 267 1HD2 LEU 37 3HD2 LEU 37 -2.176 3.423 3.423 268 2HD2 LEU 37 2HD2 LEU 37 -1.528 2.194 2.194 269 3HD2 LEU 37 1HD2 LEU 37 -1.837 1.777 1.777 270 H TYR 38 H TYR 38 -6.585 5.439 5.439 271 HA TYR 38 HA TYR 38 -7.806 3.989 3.989 272 1HB TYR 38 1HB TYR 38 -9.171 5.402 5.402 273 2HB TYR 38 2HB TYR 38 -8.150 6.810 6.810 274 HD1 TYR 38 HD2 TYR 38 -10.516 4.394 4.394 275 HD2 TYR 38 HD1 TYR 38 -8.530 8.203 8.203 276 HE1 TYR 38 HE2 TYR 38 -11.830 4.905 4.905 277 HE2 TYR 38 HE1 TYR 38 -9.792 8.678 8.678 278 HH TYR 38 HH TYR 38 -12.173 6.393 6.393 279 H GLY 39 H GLY 39 -5.788 3.602 3.602 280 1HA GLY 39 1HA GLY 39 -5.274 4.274 4.274 281 2HA GLY 39 2HA GLY 39 -4.980 5.906 5.906 282 H VAL 40 H VAL 40 -3.932 2.699 2.699 283 HA VAL 40 HA VAL 40 -1.158 3.610 3.610 284 HB VAL 40 HB VAL 40 -2.339 0.789 0.789 285 1HG1 VAL 40 2HG2 VAL 40 0.125 0.796 0.796 286 2HG1 VAL 40 1HG2 VAL 40 0.337 1.885 1.885 287 3HG1 VAL 40 3HG2 VAL 40 -0.274 0.235 0.235 288 1HG2 VAL 40 3HG1 VAL 40 -3.289 2.299 2.299 289 2HG2 VAL 40 1HG1 VAL 40 -2.260 1.032 1.032 290 3HG2 VAL 40 2HG1 VAL 40 -1.648 2.708 2.708 291 H VAL 41 H VAL 41 -3.026 1.456 1.456 292 HA VAL 41 HA VAL 41 -0.886 0.376 0.376 293 HB VAL 41 HB VAL 41 -3.724 0.862 0.862 294 1HG1 VAL 41 3HG1 VAL 41 -2.144 0.052 0.052 295 2HG1 VAL 41 1HG1 VAL 41 -1.686 -1.305 -1.305 296 3HG1 VAL 41 2HG1 VAL 41 -3.340 -1.181 -1.181 297 1HG2 VAL 41 3HG2 VAL 41 -2.560 -1.336 -1.336 298 2HG2 VAL 41 1HG2 VAL 41 -3.942 -0.282 -0.282 299 3HG2 VAL 41 2HG2 VAL 41 -4.071 -1.516 -1.516 300 H GLY 42 H GLY 42 0.609 1.358 1.358 301 1HA GLY 42 1HA GLY 42 1.403 2.537 2.537 302 2HA GLY 42 2HA GLY 42 -0.053 3.534 3.534 303 H ARG 43 HN ARG 43 0.533 3.721 3.721 304 HA ARG 43 HA ARG 43 1.672 6.336 6.336 305 1HB ARG 43 1HB ARG 43 0.001 5.454 5.454 306 2HB ARG 43 2HB ARG 43 1.412 4.774 4.774 307 1HG ARG 43 1HG ARG 43 1.023 6.846 6.846 308 2HG ARG 43 2HG ARG 43 2.380 7.170 7.170 309 1HD ARG 43 1HD ARG 43 0.676 8.062 8.062 310 2HD ARG 43 2HD ARG 43 -0.569 7.835 7.835 311 HE ARG 43 HE ARG 43 1.542 9.380 9.380 312 1HH1 ARG 43 1HH2 ARG 43 -0.886 9.670 9.670 313 2HH1 ARG 43 2HH2 ARG 43 -0.890 11.413 11.413 314 1HH2 ARG 43 1HH1 ARG 43 1.504 11.618 11.618 315 2HH2 ARG 43 2HH1 ARG 43 0.527 12.558 12.558 316 H THR 44 H THR 44 3.734 7.112 7.112 317 HA THR 44 HA THR 44 5.925 5.348 5.348 318 HB THR 44 HB THR 44 5.903 8.269 8.269 319 HG1 THR 44 HG1 THR 44 5.757 7.048 7.048 320 1HG2 THR 44 3HG2 THR 44 8.003 6.603 6.603 321 2HG2 THR 44 1HG2 THR 44 8.068 8.355 8.355 322 3HG2 THR 44 2HG2 THR 44 8.146 7.251 7.251 323 H ALA 45 H ALA 45 5.229 3.965 3.965 324 HA ALA 45 HA ALA 45 5.627 3.169 3.169 325 1HB ALA 45 2HB ALA 45 8.028 3.520 3.520 326 2HB ALA 45 1HB ALA 45 7.965 5.056 5.056 327 3HB ALA 45 3HB ALA 45 7.698 3.517 3.517 328 H GLY 46 H GLY 46 6.859 5.059 5.059 329 1HA GLY 46 1HA GLY 46 4.389 6.032 6.032 330 2HA GLY 46 2HA GLY 46 6.004 6.233 6.233 331 H THR 47 H THR 47 3.883 7.407 7.407 332 HA THR 47 HA THR 47 4.724 10.223 10.223 333 HB THR 47 HB THR 47 4.482 10.581 10.581 334 HG1 THR 47 HG1 THR 47 5.041 7.818 7.818 335 1HG2 THR 47 3HG2 THR 47 6.670 10.600 10.600 336 2HG2 THR 47 2HG2 THR 47 6.786 8.837 8.837 337 3HG2 THR 47 1HG2 THR 47 6.766 9.853 9.853 338 H TYR 48 H TYR 48 2.198 8.465 8.465 339 HA TYR 48 HA TYR 48 0.086 9.696 9.696 340 1HB TYR 48 2HB TYR 48 0.029 7.519 7.519 341 2HB TYR 48 1HB TYR 48 -0.143 8.525 8.525 342 HD1 TYR 48 HD2 TYR 48 -1.704 7.373 7.373 343 HD2 TYR 48 HD1 TYR 48 -2.261 9.733 9.733 344 HE1 TYR 48 HE2 TYR 48 -4.127 7.288 7.288 345 HE2 TYR 48 HE1 TYR 48 -4.704 9.774 9.774 346 HH TYR 48 HH TYR 48 -6.185 7.814 7.814 347 HA PRO 49 HA PRO 49 0.305 13.658 13.658 348 1HB PRO 49 2HB PRO 49 -2.720 13.613 13.613 349 2HB PRO 49 1HB PRO 49 -1.618 14.954 14.954 350 1HG PRO 49 2HG PRO 49 -2.757 13.442 13.442 351 2HG PRO 49 1HG PRO 49 -1.010 13.823 13.823 352 1HD PRO 49 1HD PRO 49 -2.306 11.277 11.277 353 2HD PRO 49 2HD PRO 49 -0.929 11.485 11.485 354 H GLU 50 HN GLU 50 -0.028 14.762 14.762 355 HA GLU 50 HA GLU 50 -0.034 14.920 14.920 356 1HB GLU 50 1HB GLU 50 -2.834 13.813 13.813 357 2HB GLU 50 2HB GLU 50 -2.278 14.746 14.746 358 1HG GLU 50 1HG GLU 50 -1.768 16.677 16.677 359 2HG GLU 50 2HG GLU 50 -2.403 15.760 15.760 360 H PHE 51 H PHE 51 1.598 12.932 12.932 361 HA PHE 51 HA PHE 51 0.918 11.414 11.414 362 1HB PHE 51 2HB PHE 51 -0.077 10.008 10.008 363 2HB PHE 51 1HB PHE 51 1.537 9.838 9.838 364 HD1 PHE 51 HD2 PHE 51 -0.606 9.153 9.153 365 HD2 PHE 51 HD1 PHE 51 3.258 8.496 8.496 366 HE1 PHE 51 HE2 PHE 51 -0.003 7.636 7.636 367 HE2 PHE 51 HE1 PHE 51 3.856 6.964 6.964 368 HZ PHE 51 HZ PHE 51 2.205 6.503 6.503 369 H LYS 52 HN LYS 52 2.657 11.508 11.508 370 HA LYS 52 HA LYS 52 5.218 12.304 12.304 371 1HB LYS 52 1HB LYS 52 4.511 13.158 13.158 372 2HB LYS 52 2HB LYS 52 4.329 11.531 11.531 373 1HG LYS 52 2HG LYS 52 6.374 12.700 12.700 374 2HG LYS 52 1HG LYS 52 6.703 11.159 11.159 375 1HD LYS 52 2HD LYS 52 7.333 12.404 12.404 376 2HD LYS 52 1HD LYS 52 7.012 13.927 13.927 377 1HE LYS 52 1HE LYS 52 9.396 13.448 13.448 378 2HE LYS 52 2HE LYS 52 8.821 13.308 13.308 379 1HZ LYS 52 1HZ LYS 52 9.189 11.047 11.047 380 2HZ LYS 52 3HZ LYS 52 10.285 11.509 11.509 381 3HZ LYS 52 2HZ LYS 52 8.802 10.949 10.949 382 H TYR 53 H TYR 53 5.543 10.558 10.558 383 HA TYR 53 HA TYR 53 6.058 7.857 7.857 384 1HB TYR 53 1HB TYR 53 7.088 9.427 9.427 385 2HB TYR 53 2HB TYR 53 7.323 7.701 7.701 386 HD1 TYR 53 HD1 TYR 53 5.347 6.124 6.124 387 HD2 TYR 53 HD2 TYR 53 5.018 10.248 10.248 388 HE1 TYR 53 HE1 TYR 53 3.386 5.565 5.565 389 HE2 TYR 53 HE2 TYR 53 2.965 9.704 9.704 390 HH TYR 53 HH TYR 53 1.938 6.337 6.337 391 H LYS 54 HN LYS 54 8.282 6.856 6.856 392 HA LYS 54 HA LYS 54 10.307 8.442 8.442 393 1HB LYS 54 2HB LYS 54 10.624 5.536 5.536 394 2HB LYS 54 1HB LYS 54 11.223 6.474 6.474 395 1HG LYS 54 2HG LYS 54 8.342 5.596 5.596 396 2HG LYS 54 1HG LYS 54 9.466 4.906 4.906 397 1HD LYS 54 1HD LYS 54 9.503 6.884 6.884 398 2HD LYS 54 2HD LYS 54 8.669 7.859 7.859 399 1HE LYS 54 2HE LYS 54 7.399 5.454 5.454 400 2HE LYS 54 1HE LYS 54 7.208 7.132 7.132 401 1HZ LYS 54 1HZ LYS 54 6.406 6.123 6.123 402 2HZ LYS 54 3HZ LYS 54 5.407 6.448 6.448 403 3HZ LYS 54 2HZ LYS 54 6.235 7.672 7.672 404 H ASP 55 HN ASP 55 12.584 7.683 7.683 405 HA ASP 55 HA ASP 55 13.026 8.825 8.825 406 1HB ASP 55 2HB ASP 55 14.618 9.075 9.075 407 2HB ASP 55 1HB ASP 55 14.879 7.320 7.320 408 H SER 56 H SER 56 12.681 5.437 5.437 409 HA SER 56 HA SER 56 14.310 4.169 4.169 410 1HB SER 56 2HB SER 56 12.765 2.247 2.247 411 2HB SER 56 1HB SER 56 13.764 3.130 3.130 412 HG SER 56 HG SER 56 11.608 3.005 3.005 413 H ILE 57 H ILE 57 10.864 4.159 4.159 414 HA ILE 57 HA ILE 57 10.126 3.110 3.110 415 HB ILE 57 HB ILE 57 8.940 3.276 3.276 416 1HG1 ILE 57 2HG1 ILE 57 7.289 3.853 3.853 417 2HG1 ILE 57 1HG1 ILE 57 7.982 2.283 2.283 418 1HG2 ILE 57 2HG2 ILE 57 9.039 5.705 5.705 419 2HG2 ILE 57 3HG2 ILE 57 7.884 5.918 5.918 420 3HG2 ILE 57 1HG2 ILE 57 7.406 5.078 5.078 421 1HD1 ILE 57 1HD1 ILE 57 6.642 2.277 2.277 422 2HD1 ILE 57 3HD1 ILE 57 5.825 3.763 3.763 423 3HD1 ILE 57 2HD1 ILE 57 5.670 2.267 2.267 424 H VAL 58 H VAL 58 10.512 6.537 6.537 425 HA VAL 58 HA VAL 58 9.575 7.656 7.656 426 HB VAL 58 HB VAL 58 11.485 8.654 8.654 427 1HG1 VAL 58 2HG2 VAL 58 10.383 10.157 10.157 428 2HG1 VAL 58 3HG2 VAL 58 11.148 10.920 10.920 429 3HG1 VAL 58 1HG2 VAL 58 12.095 9.852 9.852 430 1HG2 VAL 58 2HG1 VAL 58 9.021 8.343 8.343 431 2HG2 VAL 58 1HG1 VAL 58 9.577 10.021 10.021 432 3HG2 VAL 58 3HG1 VAL 58 8.637 9.488 9.488 433 H ALA 59 H ALA 59 12.913 6.725 6.725 434 HA ALA 59 HA ALA 59 14.213 7.457 7.457 435 1HB ALA 59 1HB ALA 59 14.932 5.305 5.305 436 2HB ALA 59 2HB ALA 59 16.015 5.954 5.954 437 3HB ALA 59 3HB ALA 59 15.420 7.011 7.011 438 H LEU 60 H LEU 60 12.642 4.407 4.407 439 HA LEU 60 HA LEU 60 13.363 2.890 2.890 440 1HB LEU 60 1HB LEU 60 12.201 2.233 2.233 441 2HB LEU 60 2HB LEU 60 10.690 2.679 2.679 442 HG LEU 60 HG LEU 60 11.949 0.186 0.186 443 1HD1 LEU 60 2HD1 LEU 60 9.538 0.607 0.607 444 2HD1 LEU 60 1HD1 LEU 60 9.753 1.156 1.156 445 3HD1 LEU 60 3HD1 LEU 60 10.080 -0.540 -0.540 446 1HD2 LEU 60 1HD2 LEU 60 13.494 0.715 0.715 447 2HD2 LEU 60 3HD2 LEU 60 12.297 -0.488 -0.488 448 3HD2 LEU 60 2HD2 LEU 60 12.116 1.176 1.176 449 H GLY 61 H GLY 61 10.490 5.009 5.009 450 1HA GLY 61 1HA GLY 61 9.306 4.823 4.823 451 2HA GLY 61 2HA GLY 61 9.299 6.253 6.253 452 H ALA 62 H ALA 62 11.650 7.225 7.225 453 HA ALA 62 HA ALA 62 12.102 8.637 8.637 454 1HB ALA 62 3HB ALA 62 12.813 9.328 9.328 455 2HB ALA 62 2HB ALA 62 14.119 8.121 8.121 456 3HB ALA 62 1HB ALA 62 14.112 9.478 9.478 457 H SER 63 H SER 63 13.627 5.531 5.531 458 HA SER 63 HA SER 63 15.696 5.707 5.707 459 1HB SER 63 2HB SER 63 16.129 3.402 3.402 460 2HB SER 63 1HB SER 63 15.791 4.188 4.188 461 HG SER 63 HG SER 63 13.573 3.339 3.339 462 H GLY 64 H GLY 64 12.337 5.314 5.314 463 1HA GLY 64 1HA GLY 64 11.467 5.573 5.573 464 2HA GLY 64 2HA GLY 64 12.659 4.422 4.422 465 H PHE 65 H PHE 65 10.746 4.120 4.120 466 HA PHE 65 HA PHE 65 9.667 1.527 1.527 467 1HB PHE 65 1HB PHE 65 10.851 1.461 1.461 468 2HB PHE 65 2HB PHE 65 9.813 2.722 2.722 469 HD1 PHE 65 HD1 PHE 65 7.353 2.307 2.307 470 HD2 PHE 65 HD2 PHE 65 10.085 -0.853 -0.853 471 HE1 PHE 65 HE1 PHE 65 6.063 0.735 0.735 472 HE2 PHE 65 HE2 PHE 65 8.701 -2.463 -2.463 473 HZ PHE 65 HZ PHE 65 6.790 -1.647 -1.647 474 H ALA 66 H ALA 66 7.488 1.174 1.174 475 HA ALA 66 HA ALA 66 5.552 3.254 3.254 476 1HB ALA 66 3HB ALA 66 5.616 1.899 1.899 477 2HB ALA 66 1HB ALA 66 4.311 2.933 2.933 478 3HB ALA 66 2HB ALA 66 5.918 3.623 3.623 479 H TRP 67 H TRP 67 3.944 2.256 2.256 480 HA TRP 67 HA TRP 67 4.172 -0.485 -0.485 481 1HB TRP 67 2HB TRP 67 2.058 1.650 1.650 482 2HB TRP 67 1HB TRP 67 1.724 -0.006 -0.006 483 HD1 TRP 67 HD1 TRP 67 2.653 3.032 3.032 484 HE1 TRP 67 HE1 TRP 67 3.778 2.620 2.620 485 HE3 TRP 67 HE3 TRP 67 3.721 -1.946 -1.946 486 HZ2 TRP 67 HZ2 TRP 67 5.091 0.491 0.491 487 HZ3 TRP 67 HZ3 TRP 67 5.056 -3.094 -3.094 488 HH2 TRP 67 HH2 TRP 67 5.888 -1.822 -1.822 489 H THR 68 H THR 68 4.036 -2.003 -2.003 490 HA THR 68 HA THR 68 1.614 -1.960 -1.960 491 HB THR 68 HB THR 68 2.465 -4.024 -4.024 492 HG1 THR 68 HG1 THR 68 4.747 -3.861 -3.861 493 1HG2 THR 68 2HG2 THR 68 3.394 -1.929 -1.929 494 2HG2 THR 68 1HG2 THR 68 4.727 -1.997 -1.997 495 3HG2 THR 68 3HG2 THR 68 4.571 -3.256 -3.256 496 H GLU 69 HN GLU 69 0.220 -4.000 -4.000 497 HA GLU 69 HA GLU 69 -0.794 -4.541 -4.541 498 1HB GLU 69 2HB GLU 69 -2.094 -6.277 -6.277 499 2HB GLU 69 1HB GLU 69 -1.986 -4.826 -4.826 500 1HG GLU 69 1HG GLU 69 -0.204 -5.942 -5.942 501 2HG GLU 69 2HG GLU 69 -0.467 -7.414 -7.414 502 H GLU 70 HN GLU 70 1.647 -6.140 -6.140 503 HA GLU 70 HA GLU 70 2.112 -8.452 -8.452 504 1HB GLU 70 2HB GLU 70 4.026 -6.917 -6.917 505 2HB GLU 70 1HB GLU 70 4.193 -8.598 -8.598 506 1HG GLU 70 2HG GLU 70 1.833 -7.552 -7.552 507 2HG GLU 70 1HG GLU 70 3.286 -8.247 -8.247 508 H ASP 71 HN ASP 71 3.741 -5.211 -5.211 509 HA ASP 71 HA ASP 71 5.649 -5.755 -5.755 510 1HB ASP 71 2HB ASP 71 4.233 -3.180 -3.180 511 2HB ASP 71 1HB ASP 71 5.529 -3.252 -3.252 512 H ILE 72 H ILE 72 2.385 -4.284 -4.284 513 HA ILE 72 HA ILE 72 2.366 -3.886 -3.886 514 HB ILE 72 HB ILE 72 0.037 -4.493 -4.493 515 1HG1 ILE 72 2HG1 ILE 72 0.916 -1.786 -1.786 516 2HG1 ILE 72 1HG1 ILE 72 1.458 -2.395 -2.395 517 1HG2 ILE 72 1HG2 ILE 72 0.069 -3.359 -3.359 518 2HG2 ILE 72 2HG2 ILE 72 -1.360 -3.434 -3.434 519 3HG2 ILE 72 3HG2 ILE 72 -0.612 -4.921 -4.921 520 1HD1 ILE 72 2HD1 ILE 72 -0.938 -2.695 -2.695 521 2HD1 ILE 72 1HD1 ILE 72 -1.413 -1.790 -1.790 522 3HD1 ILE 72 3HD1 ILE 72 -0.411 -1.023 -1.023 523 H ALA 73 H ALA 73 1.081 -6.620 -6.620 524 HA ALA 73 HA ALA 73 0.234 -8.244 -8.244 525 1HB ALA 73 1HB ALA 73 -0.213 -8.722 -8.722 526 2HB ALA 73 3HB ALA 73 1.503 -9.090 -9.090 527 3HB ALA 73 2HB ALA 73 0.529 -10.132 -10.132 528 H THR 74 H THR 74 3.554 -8.070 -8.070 529 HA THR 74 HA THR 74 4.546 -10.158 -10.158 530 HB THR 74 HB THR 74 6.180 -7.933 -7.933 531 HG1 THR 74 HG1 THR 74 4.889 -8.905 -8.905 532 1HG2 THR 74 2HG2 THR 74 6.768 -10.830 -10.830 533 2HG2 THR 74 3HG2 THR 74 7.876 -9.788 -9.788 534 3HG2 THR 74 1HG2 THR 74 7.436 -9.374 -9.374 535 H TYR 75 H TYR 75 4.849 -6.571 -6.571 536 HA TYR 75 HA TYR 75 6.272 -6.396 -6.396 537 1HB TYR 75 2HB TYR 75 6.017 -4.516 -4.516 538 2HB TYR 75 1HB TYR 75 4.270 -4.581 -4.581 539 HD1 TYR 75 HD1 TYR 75 7.255 -3.826 -3.826 540 HD2 TYR 75 HD2 TYR 75 2.981 -3.490 -3.490 541 HE1 TYR 75 HE1 TYR 75 7.211 -1.994 -1.994 542 HE2 TYR 75 HE2 TYR 75 2.941 -1.744 -1.744 543 HH TYR 75 HH TYR 75 4.152 -0.387 -0.387 544 H VAL 76 H VAL 76 2.695 -6.645 -6.645 545 HA VAL 76 HA VAL 76 2.011 -6.287 -6.287 546 HB VAL 76 HB VAL 76 0.811 -7.866 -7.866 547 1HG1 VAL 76 1HG2 VAL 76 -0.379 -7.524 -7.524 548 2HG1 VAL 76 3HG2 VAL 76 -1.287 -8.028 -8.028 549 3HG1 VAL 76 2HG2 VAL 76 0.007 -9.060 -9.060 550 1HG2 VAL 76 2HG1 VAL 76 0.811 -5.321 -5.321 551 2HG2 VAL 76 1HG1 VAL 76 -0.808 -6.039 -6.039 552 3HG2 VAL 76 3HG1 VAL 76 -0.117 -5.371 -5.371 553 H LYS 77 HN LYS 77 3.482 -9.102 -9.102 554 HA LYS 77 HA LYS 77 3.350 -10.684 -10.684 555 1HB LYS 77 1HB LYS 77 4.195 -11.618 -11.618 556 2HB LYS 77 2HB LYS 77 3.649 -12.580 -12.580 557 1HG LYS 77 2HG LYS 77 1.391 -11.329 -11.329 558 2HG LYS 77 1HG LYS 77 1.985 -10.798 -10.798 559 1HD LYS 77 1HD LYS 77 1.727 -13.714 -13.714 560 2HD LYS 77 2HD LYS 77 0.550 -12.847 -12.847 561 1HE LYS 77 2HE LYS 77 3.462 -13.344 -13.344 562 2HE LYS 77 1HE LYS 77 2.071 -14.277 -14.277 563 1HZ LYS 77 3HZ LYS 77 2.435 -11.397 -11.397 564 2HZ LYS 77 1HZ LYS 77 2.718 -12.594 -12.594 565 3HZ LYS 77 2HZ LYS 77 1.191 -12.328 -12.328 566 H ASP 78 HN ASP 78 5.303 -8.334 -8.334 567 HA ASP 78 HA ASP 78 7.764 -9.544 -9.544 568 1HB ASP 78 1HB ASP 78 7.488 -10.180 -10.180 569 2HB ASP 78 2HB ASP 78 7.785 -8.455 -8.455 570 HA PRO 79 HA PRO 79 6.878 -4.807 -4.807 571 1HB PRO 79 1HB PRO 79 6.928 -4.661 -4.661 572 2HB PRO 79 2HB PRO 79 5.458 -4.827 -4.827 573 1HG PRO 79 1HG PRO 79 7.130 -6.994 -6.994 574 2HG PRO 79 2HG PRO 79 5.355 -6.808 -6.808 575 1HD PRO 79 1HD PRO 79 6.466 -8.561 -8.561 576 2HD PRO 79 2HD PRO 79 5.127 -7.512 -7.512 577 H GLY 80 H GLY 80 8.621 -3.452 -3.452 578 1HA GLY 80 1HA GLY 80 10.774 -2.721 -2.721 579 2HA GLY 80 2HA GLY 80 10.910 -3.926 -3.926 580 H ALA 81 H ALA 81 10.730 -6.352 -6.352 581 HA ALA 81 HA ALA 81 13.350 -6.736 -6.736 582 1HB ALA 81 2HB ALA 81 10.840 -8.397 -8.397 583 2HB ALA 81 1HB ALA 81 12.380 -9.003 -9.003 584 3HB ALA 81 3HB ALA 81 12.261 -8.525 -8.525 585 H PHE 82 H PHE 82 10.201 -6.374 -6.374 586 HA PHE 82 HA PHE 82 11.222 -6.788 -6.788 587 1HB PHE 82 1HB PHE 82 8.805 -6.519 -6.519 588 2HB PHE 82 2HB PHE 82 9.033 -4.787 -4.787 589 HD1 PHE 82 HD1 PHE 82 9.757 -7.891 -7.891 590 HD2 PHE 82 HD2 PHE 82 8.128 -3.888 -3.888 591 HE1 PHE 82 HE1 PHE 82 9.228 -8.066 -8.066 592 HE2 PHE 82 HE2 PHE 82 7.445 -4.157 -4.157 593 HZ PHE 82 HZ PHE 82 8.001 -6.238 -6.238 594 H LEU 83 H LEU 83 11.095 -3.773 -3.773 595 HA LEU 83 HA LEU 83 12.003 -1.982 -1.982 596 1HB LEU 83 2HB LEU 83 12.485 -1.752 -1.752 597 2HB LEU 83 1HB LEU 83 12.328 -0.515 -0.515 598 HG LEU 83 HG LEU 83 10.090 -2.206 -2.206 599 1HD1 LEU 83 2HD1 LEU 83 10.808 0.766 0.766 600 2HD1 LEU 83 3HD1 LEU 83 9.316 0.058 0.058 601 3HD1 LEU 83 1HD1 LEU 83 10.883 -0.395 -0.395 602 1HD2 LEU 83 3HD2 LEU 83 10.107 -0.107 -0.107 603 2HD2 LEU 83 1HD2 LEU 83 9.700 -1.829 -1.829 604 3HD2 LEU 83 2HD2 LEU 83 8.638 -0.785 -0.785 605 H LYS 84 HN LYS 84 13.526 -3.576 -3.576 606 HA LYS 84 HA LYS 84 16.221 -2.887 -2.887 607 1HB LYS 84 2HB LYS 84 15.006 -5.496 -5.496 608 2HB LYS 84 1HB LYS 84 16.737 -5.160 -5.160 609 1HG LYS 84 1HG LYS 84 16.475 -3.380 -3.380 610 2HG LYS 84 2HG LYS 84 14.726 -3.277 -3.277 611 1HD LYS 84 2HD LYS 84 14.275 -5.256 -5.256 612 2HD LYS 84 1HD LYS 84 15.950 -5.825 -5.825 613 1HE LYS 84 1HE LYS 84 15.172 -4.965 -4.965 614 2HE LYS 84 2HE LYS 84 16.685 -4.288 -4.288 615 1HZ LYS 84 3HZ LYS 84 14.085 -2.955 -2.955 616 2HZ LYS 84 2HZ LYS 84 15.176 -2.641 -2.641 617 3HZ LYS 84 1HZ LYS 84 15.576 -2.350 -2.350 618 H GLU 85 HN GLU 85 14.548 -5.642 -5.642 619 HA GLU 85 HA GLU 85 16.718 -6.596 -6.596 620 1HB GLU 85 2HB GLU 85 14.706 -7.896 -7.896 621 2HB GLU 85 1HB GLU 85 13.699 -6.747 -6.747 622 1HG GLU 85 2HG GLU 85 14.902 -7.318 -7.318 623 2HG GLU 85 1HG GLU 85 15.883 -8.481 -8.481 624 H LYS 86 HN LYS 86 13.885 -4.677 -4.677 625 HA LYS 86 HA LYS 86 15.118 -4.386 -4.386 626 1HB LYS 86 1HB LYS 86 12.817 -2.853 -2.853 627 2HB LYS 86 2HB LYS 86 13.316 -2.776 -2.776 628 1HG LYS 86 2HG LYS 86 13.037 -5.313 -5.313 629 2HG LYS 86 1HG LYS 86 12.388 -5.262 -5.262 630 1HD LYS 86 2HD LYS 86 10.565 -5.375 -5.375 631 2HD LYS 86 1HD LYS 86 10.550 -3.804 -3.804 632 1HE LYS 86 1HE LYS 86 9.991 -3.638 -3.638 633 2HE LYS 86 2HE LYS 86 11.484 -2.755 -2.755 634 1HZ LYS 86 2HZ LYS 86 11.314 -5.465 -5.465 635 2HZ LYS 86 1HZ LYS 86 11.631 -4.091 -4.091 636 3HZ LYS 86 3HZ LYS 86 12.705 -4.622 -4.622 637 H LEU 87 H LEU 87 15.233 -2.221 -2.221 638 HA LEU 87 HA LEU 87 16.658 -0.172 -0.172 639 1HB LEU 87 2HB LEU 87 14.934 0.291 0.291 640 2HB LEU 87 1HB LEU 87 16.075 -0.362 -0.362 641 HG LEU 87 HG LEU 87 17.631 1.458 1.458 642 1HD1 LEU 87 2HD2 LEU 87 15.673 2.361 2.361 643 2HD1 LEU 87 1HD2 LEU 87 16.949 3.390 3.390 644 3HD1 LEU 87 3HD2 LEU 87 17.387 1.935 1.935 645 1HD2 LEU 87 2HD1 LEU 87 15.774 1.776 1.776 646 2HD2 LEU 87 3HD1 LEU 87 16.291 3.295 3.295 647 3HD2 LEU 87 1HD1 LEU 87 14.794 2.507 2.507 648 H ASP 88 HN ASP 88 17.601 -3.137 -3.137 649 HA ASP 88 HA ASP 88 19.384 -4.041 -4.041 650 1HB ASP 88 2HB ASP 88 20.034 -3.804 -3.804 651 2HB ASP 88 1HB ASP 88 20.549 -2.141 -2.141 652 H ASP 89 HN ASP 89 18.427 -2.546 -2.546 653 HA ASP 89 HA ASP 89 20.738 -1.184 -1.184 654 1HB ASP 89 2HB ASP 89 19.613 0.628 0.628 655 2HB ASP 89 1HB ASP 89 18.060 0.091 0.091 656 H LYS 90 HN LYS 90 20.941 -2.024 -2.024 657 HA LYS 90 HA LYS 90 19.071 -3.590 -3.590 658 1HB LYS 90 2HB LYS 90 21.553 -3.639 -3.639 659 2HB LYS 90 1HB LYS 90 21.489 -2.068 -2.068 660 1HG LYS 90 2HG LYS 90 20.096 -3.074 -3.074 661 2HG LYS 90 1HG LYS 90 20.118 -4.631 -4.631 662 1HD LYS 90 1HD LYS 90 22.612 -4.674 -4.674 663 2HD LYS 90 2HD LYS 90 22.567 -3.156 -3.156 664 1HE LYS 90 1HE LYS 90 21.257 -5.791 -5.791 665 2HE LYS 90 2HE LYS 90 22.780 -5.145 -5.145 666 1HZ LYS 90 2HZ LYS 90 21.572 -3.251 -3.251 667 2HZ LYS 90 3HZ LYS 90 20.149 -3.875 -3.875 668 3HZ LYS 90 1HZ LYS 90 20.985 -4.654 -4.654 669 H LYS 91 HN LYS 91 19.607 -0.055 -0.055 670 HA LYS 91 HA LYS 91 18.055 0.310 0.310 671 1HB LYS 91 2HB LYS 91 19.176 2.330 2.330 672 2HB LYS 91 1HB LYS 91 18.448 2.715 2.715 673 1HG LYS 91 1HG LYS 91 20.232 1.646 1.646 674 2HG LYS 91 2HG LYS 91 20.906 0.941 0.941 675 1HD LYS 91 1HD LYS 91 22.232 2.829 2.829 676 2HD LYS 91 2HD LYS 91 21.580 3.104 3.104 677 1HE LYS 91 2HE LYS 91 20.168 4.199 4.199 678 2HE LYS 91 1HE LYS 91 21.554 5.039 5.039 679 1HZ LYS 91 3HZ LYS 91 20.405 5.175 5.175 680 2HZ LYS 91 1HZ LYS 91 19.086 4.410 4.410 681 3HZ LYS 91 2HZ LYS 91 19.527 5.882 5.882 682 H ALA 92 H ALA 92 17.035 -0.553 -0.553 683 HA ALA 92 HA ALA 92 14.897 1.377 1.377 684 1HB ALA 92 3HB ALA 92 15.968 0.197 0.197 685 2HB ALA 92 1HB ALA 92 15.171 -1.292 -1.292 686 3HB ALA 92 2HB ALA 92 14.201 0.097 0.097 687 H LYS 93 HN LYS 93 14.272 1.018 1.018 688 HA LYS 93 HA LYS 93 12.547 -1.371 -1.371 689 1HB LYS 93 1HB LYS 93 14.100 -0.662 -0.662 690 2HB LYS 93 2HB LYS 93 13.327 0.935 0.935 691 1HG LYS 93 2HG LYS 93 11.171 -0.141 -0.141 692 2HG LYS 93 1HG LYS 93 11.957 -1.731 -1.731 693 1HD LYS 93 2HD LYS 93 13.414 -0.966 -0.966 694 2HD LYS 93 1HD LYS 93 12.675 0.644 0.644 695 1HE LYS 93 2HE LYS 93 11.196 -1.962 -1.962 696 2HE LYS 93 1HE LYS 93 11.708 -0.754 -0.754 697 1HZ LYS 93 2HZ LYS 93 10.278 0.831 0.831 698 2HZ LYS 93 1HZ LYS 93 9.759 -0.301 -0.301 699 3HZ LYS 93 3HZ LYS 93 9.430 -0.479 -0.479 700 H THR 94 H THR 94 10.269 -1.248 -1.248 701 HA THR 94 HA THR 94 9.059 1.306 1.306 702 HB THR 94 HB THR 94 8.321 -0.683 -0.683 703 HG1 THR 94 HG1 THR 94 6.185 -0.267 -0.267 704 1HG2 THR 94 2HG2 THR 94 8.690 -2.425 -2.425 705 2HG2 THR 94 1HG2 THR 94 7.327 -1.755 -1.755 706 3HG2 THR 94 3HG2 THR 94 7.062 -2.467 -2.467 707 H GLY 95 H GLY 95 7.354 2.248 2.248 708 1HA GLY 95 1HA GLY 95 7.468 2.191 2.191 709 2HA GLY 95 2HA GLY 95 6.232 2.967 2.967 710 H MET 96 H MET 96 5.751 0.340 0.340 711 HA MET 96 HA MET 96 3.628 -0.582 -0.582 712 1HB MET 96 1HB MET 96 3.756 -0.647 -0.647 713 2HB MET 96 2HB MET 96 4.831 -2.016 -2.016 714 1HG MET 96 1HG MET 96 3.240 -3.424 -3.424 715 2HG MET 96 2HG MET 96 2.287 -2.139 -2.139 716 1HE MET 96 3HE MET 96 3.399 -3.063 -3.063 717 2HE MET 96 2HE MET 96 2.657 -4.544 -4.544 718 3HE MET 96 1HE MET 96 1.826 -3.628 -3.628 719 H ALA 97 H ALA 97 4.768 -1.059 -1.059 720 HA ALA 97 HA ALA 97 6.276 -3.536 -3.536 721 1HB ALA 97 2HB ALA 97 6.533 -1.677 -1.677 722 2HB ALA 97 1HB ALA 97 4.842 -1.865 -1.865 723 3HB ALA 97 3HB ALA 97 6.018 -3.161 -3.161 724 H PHE 98 H PHE 98 4.365 -4.416 -4.416 725 HA PHE 98 HA PHE 98 2.782 -6.316 -6.316 726 1HB PHE 98 2HB PHE 98 1.203 -4.551 -4.551 727 2HB PHE 98 1HB PHE 98 1.618 -3.871 -3.871 728 HD1 PHE 98 HD2 PHE 98 -0.284 -6.636 -6.636 729 HD2 PHE 98 HD1 PHE 98 0.728 -4.666 -4.666 730 HE1 PHE 98 HE2 PHE 98 -2.036 -7.931 -7.931 731 HE2 PHE 98 HE1 PHE 98 -0.972 -5.987 -5.987 732 HZ PHE 98 HZ PHE 98 -2.426 -7.581 -7.581 733 H LYS 99 HN LYS 99 2.115 -8.005 -8.005 734 HA LYS 99 HA LYS 99 2.660 -7.671 -7.671 735 1HB LYS 99 2HB LYS 99 3.659 -10.276 -10.276 736 2HB LYS 99 1HB LYS 99 4.444 -9.000 -9.000 737 1HG LYS 99 2HG LYS 99 5.242 -8.060 -8.060 738 2HG LYS 99 1HG LYS 99 4.536 -9.510 -9.510 739 1HD LYS 99 2HD LYS 99 5.962 -10.921 -10.921 740 2HD LYS 99 1HD LYS 99 6.681 -9.446 -9.446 741 1HE LYS 99 1HE LYS 99 7.511 -8.832 -8.832 742 2HE LYS 99 2HE LYS 99 6.837 -10.343 -10.343 743 1HZ LYS 99 1HZ LYS 99 8.281 -11.536 -11.536 744 2HZ LYS 99 2HZ LYS 99 8.905 -10.128 -10.128 745 3HZ LYS 99 3HZ LYS 99 9.151 -10.543 -10.543 746 H LEU 100 H LEU 100 1.487 -9.259 -9.259 747 HA LEU 100 HA LEU 100 -0.409 -10.941 -10.941 748 1HB LEU 100 1HB LEU 100 -1.441 -8.941 -8.941 749 2HB LEU 100 2HB LEU 100 -0.813 -9.465 -9.465 750 HG LEU 100 HG LEU 100 -2.135 -11.558 -11.558 751 1HD1 LEU 100 2HD2 LEU 100 -3.294 -10.369 -10.369 752 2HD1 LEU 100 3HD2 LEU 100 -3.971 -11.745 -11.745 753 3HD1 LEU 100 1HD2 LEU 100 -2.389 -11.895 -11.895 754 1HD2 LEU 100 2HD1 LEU 100 -3.007 -9.527 -9.527 755 2HD2 LEU 100 3HD1 LEU 100 -4.302 -10.517 -10.517 756 3HD2 LEU 100 1HD1 LEU 100 -3.790 -9.033 -9.033 757 H ALA 101 H ALA 101 0.431 -13.004 -13.004 758 HA ALA 101 HA ALA 101 2.122 -13.629 -13.629 759 1HB ALA 101 3HB ALA 101 2.619 -14.441 -14.441 760 2HB ALA 101 1HB ALA 101 1.109 -15.382 -15.382 761 3HB ALA 101 2HB ALA 101 2.409 -15.777 -15.777 762 H LYS 102 HN LYS 102 -0.252 -12.874 -12.874 763 HA LYS 102 HA LYS 102 -1.066 -14.773 -14.773 764 1HB LYS 102 2HB LYS 102 -3.305 -15.413 -15.413 765 2HB LYS 102 1HB LYS 102 -2.135 -16.067 -16.067 766 1HG LYS 102 2HG LYS 102 -2.555 -14.194 -14.194 767 2HG LYS 102 1HG LYS 102 -3.769 -13.521 -13.521 768 1HD LYS 102 1HD LYS 102 -3.860 -16.209 -16.209 769 2HD LYS 102 2HD LYS 102 -4.839 -14.779 -14.779 770 1HE LYS 102 2HE LYS 102 -5.009 -16.606 -16.606 771 2HE LYS 102 1HE LYS 102 -6.227 -16.326 -16.326 772 1HZ LYS 102 1HZ LYS 102 -6.371 -14.036 -14.036 773 2HZ LYS 102 3HZ LYS 102 -5.307 -14.369 -14.369 774 3HZ LYS 102 2HZ LYS 102 -6.768 -15.126 -15.126 775 H GLY 103 H GLY 103 -3.643 -13.911 -13.911 776 1HA GLY 103 1HA GLY 103 -5.017 -12.125 -12.125 777 2HA GLY 103 2HA GLY 103 -3.996 -11.087 -11.087 778 H GLY 104 H GLY 104 -1.666 -10.964 -10.964 779 1HA GLY 104 1HA GLY 104 -1.075 -9.112 -9.112 780 2HA GLY 104 2HA GLY 104 -0.399 -10.657 -10.657 781 H GLU 105 HN GLU 105 -1.980 -11.916 -11.916 782 HA GLU 105 HA GLU 105 -2.203 -10.418 -10.418 783 1HB GLU 105 2HB GLU 105 -3.380 -12.486 -12.486 784 2HB GLU 105 1HB GLU 105 -1.721 -12.679 -12.679 785 1HG GLU 105 2HG GLU 105 -4.044 -13.376 -13.376 786 2HG GLU 105 1HG GLU 105 -3.480 -14.469 -14.469 787 H ASP 106 HN ASP 106 -4.743 -11.647 -11.647 788 HA ASP 106 HA ASP 106 -6.907 -10.594 -10.594 789 1HB ASP 106 1HB ASP 106 -8.377 -11.305 -11.305 790 2HB ASP 106 2HB ASP 106 -7.289 -12.609 -12.609 791 H VAL 107 H VAL 107 -5.092 -9.582 -9.582 792 HA VAL 107 HA VAL 107 -6.625 -7.237 -7.237 793 HB VAL 107 HB VAL 107 -3.739 -8.051 -8.051 794 1HG1 VAL 107 3HG2 VAL 107 -5.236 -5.637 -5.637 795 2HG1 VAL 107 1HG2 VAL 107 -3.688 -6.288 -6.288 796 3HG1 VAL 107 2HG2 VAL 107 -3.781 -5.600 -5.600 797 1HG2 VAL 107 3HG1 VAL 107 -5.557 -9.375 -9.375 798 2HG2 VAL 107 1HG1 VAL 107 -4.591 -8.450 -8.450 799 3HG2 VAL 107 2HG1 VAL 107 -6.202 -7.876 -7.876 800 H ALA 108 H ALA 108 -3.687 -7.722 -7.722 801 HA ALA 108 HA ALA 108 -3.456 -5.028 -5.028 802 1HB ALA 108 2HB ALA 108 -2.666 -7.604 -7.604 803 2HB ALA 108 1HB ALA 108 -2.136 -5.963 -5.963 804 3HB ALA 108 3HB ALA 108 -1.667 -6.668 -6.668 805 H ALA 109 H ALA 109 -5.209 -7.839 -7.839 806 HA ALA 109 HA ALA 109 -6.287 -6.481 -6.481 807 1HB ALA 109 2HB ALA 109 -6.385 -8.902 -8.902 808 2HB ALA 109 1HB ALA 109 -7.527 -8.743 -8.743 809 3HB ALA 109 3HB ALA 109 -8.006 -8.237 -8.237 810 H TYR 110 H TYR 110 -7.567 -6.747 -6.747 811 HA TYR 110 HA TYR 110 -9.930 -5.242 -5.242 812 1HB TYR 110 1HB TYR 110 -9.719 -6.473 -6.473 813 2HB TYR 110 2HB TYR 110 -8.232 -5.658 -5.658 814 HD1 TYR 110 HD2 TYR 110 -11.796 -4.781 -4.781 815 HD2 TYR 110 HD1 TYR 110 -8.342 -3.913 -3.913 816 HE1 TYR 110 HE2 TYR 110 -13.046 -2.970 -2.970 817 HE2 TYR 110 HE1 TYR 110 -9.603 -2.122 -2.122 818 HH TYR 110 HH TYR 110 -11.621 -1.067 -1.067 819 H LEU 111 H LEU 111 -6.674 -4.138 -4.138 820 HA LEU 111 HA LEU 111 -7.343 -1.401 -1.401 821 1HB LEU 111 1HB LEU 111 -4.713 -2.847 -2.847 822 2HB LEU 111 2HB LEU 111 -4.793 -1.082 -1.082 823 HG LEU 111 HG LEU 111 -6.002 -2.758 -2.758 824 1HD1 LEU 111 2HD1 LEU 111 -3.190 -1.604 -1.604 825 2HD1 LEU 111 3HD1 LEU 111 -3.943 -2.301 -2.301 826 3HD1 LEU 111 1HD1 LEU 111 -3.634 -3.331 -3.331 827 1HD2 LEU 111 1HD2 LEU 111 -5.083 0.151 0.151 828 2HD2 LEU 111 2HD2 LEU 111 -6.764 -0.395 -0.395 829 3HD2 LEU 111 3HD2 LEU 111 -5.656 -0.633 -0.633 830 H ALA 112 H ALA 112 -6.196 -3.314 -3.314 831 HA ALA 112 HA ALA 112 -6.214 -1.074 -1.074 832 1HB ALA 112 1HB ALA 112 -5.239 -3.278 -3.278 833 2HB ALA 112 2HB ALA 112 -6.861 -3.996 -3.996 834 3HB ALA 112 3HB ALA 112 -6.427 -2.744 -2.744 835 H SER 113 H SER 113 -8.788 -3.454 -3.454 836 HA SER 113 HA SER 113 -10.832 -2.417 -2.417 837 1HB SER 113 1HB SER 113 -11.182 -3.724 -3.724 838 2HB SER 113 2HB SER 113 -12.373 -3.622 -3.622 839 HG SER 113 HG SER 113 -9.886 -5.010 -5.010 840 H VAL 114 H VAL 114 -9.772 -1.302 -1.302 841 HA VAL 114 HA VAL 114 -11.959 0.341 0.341 842 HB VAL 114 HB VAL 114 -9.034 0.140 0.140 843 1HG1 VAL 114 1HG2 VAL 114 -10.933 2.163 2.163 844 2HG1 VAL 114 3HG2 VAL 114 -9.355 1.702 1.702 845 3HG1 VAL 114 2HG2 VAL 114 -9.405 2.481 2.481 846 1HG2 VAL 114 2HG1 VAL 114 -10.812 -1.513 -1.513 847 2HG2 VAL 114 3HG1 VAL 114 -9.844 -0.699 -0.699 848 3HG2 VAL 114 1HG1 VAL 114 -11.504 -0.160 -0.160 849 H VAL 115 H VAL 115 -9.263 0.881 0.881 850 HA VAL 115 HA VAL 115 -9.512 3.770 3.770 851 HB VAL 115 HB VAL 115 -8.261 2.009 2.009 852 1HG1 VAL 115 2HG1 VAL 115 -7.844 4.947 4.947 853 2HG1 VAL 115 3HG1 VAL 115 -6.923 4.045 4.045 854 3HG1 VAL 115 1HG1 VAL 115 -8.641 4.359 4.359 855 1HG2 VAL 115 2HG2 VAL 115 -7.089 3.245 3.245 856 2HG2 VAL 115 1HG2 VAL 115 -7.183 1.518 1.518 857 3HG2 VAL 115 3HG2 VAL 115 -6.115 2.570 2.570 858 H LYS 116 HN LYS 116 -11.822 3.977 3.977 859 HA LYS 116 HA LYS 116 -12.778 4.646 4.646 860 1HB LYS 116 1HB LYS 116 -14.842 3.163 3.163 861 2HB LYS 116 2HB LYS 116 -13.344 2.373 2.373 862 1HG LYS 116 2HG LYS 116 -14.261 0.873 0.873 863 2HG LYS 116 1HG LYS 116 -13.038 1.690 1.690 864 1HD LYS 116 2HD LYS 116 -14.997 3.219 3.219 865 2HD LYS 116 1HD LYS 116 -16.055 2.002 2.002 866 1HE LYS 116 2HE LYS 116 -13.980 1.676 1.676 867 2HE LYS 116 1HE LYS 116 -15.734 1.513 1.513 868 1HZ LYS 116 1HZ LYS 116 -15.582 -0.422 -0.422 869 2HZ LYS 116 3HZ LYS 116 -13.937 -0.274 -0.274 870 3HZ LYS 116 2HZ LYS 116 -14.688 -0.612 -0.612 871 HHA HEC 117 HHA HEM 117 2.796 2.396 2.396 872 HHB HEC 117 HHB HEM 117 -0.932 -2.287 -2.287 873 HHC HEC 117 HHC HEM 117 -2.601 -3.811 -3.811 874 HHD HEC 117 HHD HEM 117 1.405 0.683 0.683 875 1HMA HEC 117 1HMA HEM 117 -0.262 -0.762 -0.762 876 2HMA HEC 117 2HMA HEM 117 1.168 -1.814 -1.814 877 3HMA HEC 117 3HMA HEM 117 1.357 -0.157 -0.157 878 1HAA HEC 117 1HAA HEM 117 3.275 2.112 2.112 879 2HAA HEC 117 2HAA HEM 117 2.946 1.137 1.137 880 1HBA HEC 117 1HBA HEM 117 1.001 3.219 3.219 881 2HBA HEC 117 2HBA HEM 117 0.904 2.340 2.340 882 1HMB HEC 117 1HMB HEM 117 -3.268 -2.925 -2.925 883 2HMB HEC 117 2HMB HEM 117 -3.942 -4.386 -4.386 884 3HMB HEC 117 3HMB HEM 117 -2.309 -4.421 -4.421 885 HAB HEC 117 HAB HEM 117 -3.879 -4.913 -4.913 886 1HBB HEC 117 1HBB HEM 117 -2.554 -6.609 -6.609 887 2HBB HEC 117 2HBB HEM 117 -3.504 -6.271 -6.271 888 3HBB HEC 117 3HBB HEM 117 -4.303 -6.925 -6.925 889 1HMC HEC 117 1HMC HEM 117 -3.425 -2.986 -2.986 890 2HMC HEC 117 2HMC HEM 117 -2.556 -2.769 -2.769 891 3HMC HEC 117 3HMC HEM 117 -2.119 -4.109 -4.109 892 HAC HEC 117 HAC HEM 117 0.058 0.180 0.180 893 1HBC HEC 117 1HBC HEM 117 -0.125 -1.177 -1.177 894 2HBC HEC 117 2HBC HEM 117 -0.772 -2.541 -2.541 895 3HBC HEC 117 3HBC HEM 117 0.892 -1.994 -1.994 896 1HMD HEC 117 1HMD HEM 117 2.097 3.385 3.385 897 2HMD HEC 117 2HMD HEM 117 3.197 2.031 2.031 898 3HMD HEC 117 3HMD HEM 117 3.778 3.436 3.436 899 1HAD HEC 117 1HAD HEM 117 3.325 4.149 4.149 900 2HAD HEC 117 2HAD HEM 117 3.862 4.295 4.295 901 1HBD HEC 117 1HBD HEM 117 5.356 2.234 2.234 902 2HBD HEC 117 2HBD HEM 117 5.079 2.605 2.605 Start of MODEL 7 1 1H GLY 1 1H GLY 1 -5.812 -10.702 -10.702 2 2H GLY 1 2H GLY 1 -6.071 -11.338 -11.338 3 1HA GLY 1 1HA GLY 1 -6.669 -13.465 -13.465 4 2HA GLY 1 2HA GLY 1 -6.511 -12.724 -12.724 5 H ASP 2 HN ASP 2 -8.661 -12.864 -12.864 6 HA ASP 2 HA ASP 2 -10.867 -12.047 -12.047 7 1HB ASP 2 1HB ASP 2 -11.069 -14.231 -14.231 8 2HB ASP 2 2HB ASP 2 -10.902 -13.438 -13.438 9 H ALA 3 H ALA 3 -10.909 -9.925 -9.925 10 HA ALA 3 HA ALA 3 -10.359 -8.050 -8.050 11 1HB ALA 3 2HB ALA 3 -12.721 -8.106 -8.106 12 2HB ALA 3 3HB ALA 3 -12.110 -6.651 -6.651 13 3HB ALA 3 1HB ALA 3 -11.080 -7.514 -7.514 14 H ALA 4 H ALA 4 -13.241 -10.200 -10.200 15 HA ALA 4 HA ALA 4 -14.653 -8.705 -8.705 16 1HB ALA 4 3HB ALA 4 -15.763 -10.338 -10.338 17 2HB ALA 4 2HB ALA 4 -14.868 -11.659 -11.659 18 3HB ALA 4 1HB ALA 4 -16.027 -10.696 -10.696 19 H LYS 5 HN LYS 5 -12.322 -11.435 -11.435 20 HA LYS 5 HA LYS 5 -12.438 -11.864 -11.864 21 1HB LYS 5 1HB LYS 5 -10.332 -12.621 -12.621 22 2HB LYS 5 2HB LYS 5 -10.318 -13.097 -13.097 23 1HG LYS 5 1HG LYS 5 -12.484 -14.257 -14.257 24 2HG LYS 5 2HG LYS 5 -12.506 -13.800 -13.800 25 1HD LYS 5 2HD LYS 5 -10.250 -14.984 -14.984 26 2HD LYS 5 1HD LYS 5 -10.465 -15.596 -15.596 27 1HE LYS 5 2HE LYS 5 -12.341 -16.080 -16.080 28 2HE LYS 5 1HE LYS 5 -11.176 -17.241 -17.241 29 1HZ LYS 5 3HZ LYS 5 -12.386 -17.192 -17.192 30 2HZ LYS 5 1HZ LYS 5 -13.485 -16.136 -16.136 31 3HZ LYS 5 2HZ LYS 5 -13.357 -17.658 -17.658 32 H GLY 6 H GLY 6 -10.520 -9.954 -9.954 33 1HA GLY 6 1HA GLY 6 -8.615 -8.835 -8.835 34 2HA GLY 6 2HA GLY 6 -9.286 -8.032 -8.032 35 H GLU 7 HN GLU 7 -11.854 -7.529 -7.529 36 HA GLU 7 HA GLU 7 -11.857 -5.335 -5.335 37 1HB GLU 7 2HB GLU 7 -13.456 -5.706 -5.706 38 2HB GLU 7 1HB GLU 7 -14.274 -6.958 -6.958 39 1HG GLU 7 1HG GLU 7 -15.017 -5.390 -5.390 40 2HG GLU 7 2HG GLU 7 -13.877 -4.153 -4.153 41 H LYS 8 HN LYS 8 -13.140 -8.658 -8.658 42 HA LYS 8 HA LYS 8 -14.115 -8.249 -8.249 43 1HB LYS 8 1HB LYS 8 -12.996 -10.711 -10.711 44 2HB LYS 8 2HB LYS 8 -13.735 -10.748 -10.748 45 1HG LYS 8 2HG LYS 8 -15.865 -10.062 -10.062 46 2HG LYS 8 1HG LYS 8 -15.213 -9.531 -9.531 47 1HD LYS 8 2HD LYS 8 -16.438 -11.614 -11.614 48 2HD LYS 8 1HD LYS 8 -14.733 -11.816 -11.816 49 1HE LYS 8 2HE LYS 8 -14.303 -12.888 -12.888 50 2HE LYS 8 1HE LYS 8 -15.993 -12.616 -12.616 51 1HZ LYS 8 2HZ LYS 8 -15.080 -14.273 -14.273 52 2HZ LYS 8 3HZ LYS 8 -15.620 -14.828 -14.828 53 3HZ LYS 8 1HZ LYS 8 -16.650 -14.034 -14.034 54 H GLU 9 HN GLU 9 -10.863 -9.402 -9.402 55 HA GLU 9 HA GLU 9 -9.722 -9.560 -9.560 56 1HB GLU 9 2HB GLU 9 -8.820 -10.442 -10.442 57 2HB GLU 9 1HB GLU 9 -8.292 -8.789 -8.789 58 1HG GLU 9 2HG GLU 9 -6.412 -9.963 -9.963 59 2HG GLU 9 1HG GLU 9 -6.941 -8.912 -8.912 60 H PHE 10 H PHE 10 -10.120 -6.822 -6.822 61 HA PHE 10 HA PHE 10 -8.551 -4.988 -4.988 62 1HB PHE 10 2HB PHE 10 -9.954 -4.848 -4.848 63 2HB PHE 10 1HB PHE 10 -11.076 -3.966 -3.966 64 HD1 PHE 10 HD2 PHE 10 -10.223 -1.856 -1.856 65 HD2 PHE 10 HD1 PHE 10 -7.807 -4.007 -4.007 66 HE1 PHE 10 HE2 PHE 10 -8.520 -0.045 -0.045 67 HE2 PHE 10 HE1 PHE 10 -6.150 -2.167 -2.167 68 HZ PHE 10 HZ PHE 10 -6.480 -0.212 -0.212 69 H ASN 11 H ASN 11 -11.567 -6.332 -6.332 70 HA ASN 11 HA ASN 11 -12.516 -4.321 -4.321 71 1HB ASN 11 1HB ASN 11 -13.699 -6.449 -6.449 72 2HB ASN 11 2HB ASN 11 -12.385 -7.330 -7.330 73 1HD2 ASN 11 1HD2 ASN 11 -14.976 -5.125 -5.125 74 2HD2 ASN 11 2HD2 ASN 11 -14.804 -4.710 -4.710 75 H LYS 12 HN LYS 12 -9.628 -6.398 -6.398 76 HA LYS 12 HA LYS 12 -9.108 -5.495 -5.495 77 1HB LYS 12 1HB LYS 12 -7.372 -7.115 -7.115 78 2HB LYS 12 2HB LYS 12 -7.083 -6.798 -6.798 79 1HG LYS 12 1HG LYS 12 -7.933 -8.917 -8.917 80 2HG LYS 12 2HG LYS 12 -9.370 -7.961 -7.961 81 1HD LYS 12 1HD LYS 12 -10.192 -8.232 -8.232 82 2HD LYS 12 2HD LYS 12 -8.668 -8.994 -8.994 83 1HE LYS 12 1HE LYS 12 -10.636 -10.078 -10.078 84 2HE LYS 12 2HE LYS 12 -10.593 -10.553 -10.553 85 1HZ LYS 12 3HZ LYS 12 -8.350 -11.310 -11.310 86 2HZ LYS 12 1HZ LYS 12 -8.412 -10.961 -10.961 87 3HZ LYS 12 2HZ LYS 12 -9.399 -12.120 -12.120 88 H CYS 13 H CYS 13 -7.683 -5.211 -5.211 89 HA CYS 13 HA CYS 13 -5.503 -3.585 -3.585 90 1HB CYS 13 2HB CYS 13 -6.436 -4.741 -4.741 91 2HB CYS 13 1HB CYS 13 -7.398 -3.257 -3.257 92 H LYS 14 HN LYS 14 -8.889 -2.513 -2.513 93 HA LYS 14 HA LYS 14 -8.608 0.198 0.198 94 1HB LYS 14 2HB LYS 14 -10.862 0.416 0.416 95 2HB LYS 14 1HB LYS 14 -10.695 -1.061 -1.061 96 1HG LYS 14 2HG LYS 14 -11.876 -1.940 -1.940 97 2HG LYS 14 1HG LYS 14 -10.257 -2.146 -2.146 98 1HD LYS 14 1HD LYS 14 -10.581 -0.016 -0.016 99 2HD LYS 14 2HD LYS 14 -12.161 0.186 0.186 100 1HE LYS 14 2HE LYS 14 -12.338 -0.755 -0.755 101 2HE LYS 14 1HE LYS 14 -12.966 -1.887 -1.887 102 1HZ LYS 14 1HZ LYS 14 -10.261 -2.040 -2.040 103 2HZ LYS 14 2HZ LYS 14 -11.564 -2.917 -2.917 104 3HZ LYS 14 3HZ LYS 14 -10.980 -3.123 -3.123 105 H THR 15 H THR 15 -7.861 -1.669 -1.669 106 HA THR 15 HA THR 15 -8.244 0.358 0.358 107 HB THR 15 HB THR 15 -6.293 -1.980 -1.980 108 HG1 THR 15 HG1 THR 15 -8.213 -2.868 -2.868 109 1HG2 THR 15 2HG2 THR 15 -7.761 -0.459 -0.459 110 2HG2 THR 15 1HG2 THR 15 -6.812 -1.940 -1.940 111 3HG2 THR 15 3HG2 THR 15 -6.007 -0.453 -0.453 112 H CYS 16 H CYS 16 -5.780 -0.099 -0.099 113 HA CYS 16 HA CYS 16 -4.122 2.061 2.061 114 1HB CYS 16 2HB CYS 16 -3.428 -0.396 -0.396 115 2HB CYS 16 1HB CYS 16 -2.380 1.024 1.024 116 H HIS 17 HN HIS 17 -5.620 0.843 0.843 117 HA HIS 17 HA HIS 17 -4.708 3.335 3.335 118 1HB HIS 17 1HB HIS 17 -5.242 0.494 0.494 119 2HB HIS 17 2HB HIS 17 -5.176 1.850 1.850 120 HD1 HIS 17 HD1 HIS 17 -2.911 3.071 3.071 121 HD2 HIS 17 HD2 HIS 17 -2.655 -0.260 -0.260 122 HE1 HIS 17 HE1 HIS 17 -0.486 2.382 2.382 123 H SER 18 H SER 18 -6.185 4.049 4.049 124 HA SER 18 HA SER 18 -9.061 3.439 3.439 125 1HB SER 18 2HB SER 18 -9.488 5.885 5.885 126 2HB SER 18 1HB SER 18 -8.427 5.371 5.371 127 HG SER 18 HG SER 18 -6.684 6.157 6.157 128 H ILE 19 H ILE 19 -10.405 4.325 4.325 129 HA ILE 19 HA ILE 19 -8.989 4.767 4.767 130 HB ILE 19 HB ILE 19 -11.237 2.731 2.731 131 1HG1 ILE 19 1HG1 ILE 19 -9.421 1.404 1.404 132 2HG1 ILE 19 2HG1 ILE 19 -8.276 2.517 2.517 133 1HG2 ILE 19 3HG2 ILE 19 -11.359 4.261 4.261 134 2HG2 ILE 19 2HG2 ILE 19 -9.808 3.549 3.549 135 3HG2 ILE 19 1HG2 ILE 19 -11.242 2.524 2.524 136 1HD1 ILE 19 1HD1 ILE 19 -10.210 0.603 0.603 137 2HD1 ILE 19 2HD1 ILE 19 -8.483 0.345 0.345 138 3HD1 ILE 19 3HD1 ILE 19 -9.016 1.621 1.621 139 H ILE 20 H ILE 20 -9.741 6.723 6.723 140 HA ILE 20 HA ILE 20 -12.536 7.491 7.491 141 HB ILE 20 HB ILE 20 -10.777 8.220 8.220 142 1HG1 ILE 20 1HG1 ILE 20 -12.020 10.738 10.738 143 2HG1 ILE 20 2HG1 ILE 20 -13.134 9.396 9.396 144 1HG2 ILE 20 3HG2 ILE 20 -9.048 8.936 8.936 145 2HG2 ILE 20 1HG2 ILE 20 -10.062 10.339 10.339 146 3HG2 ILE 20 2HG2 ILE 20 -9.375 10.116 10.116 147 1HD1 ILE 20 1HD1 ILE 20 -11.092 10.293 10.293 148 2HD1 ILE 20 2HD1 ILE 20 -12.815 10.727 10.727 149 3HD1 ILE 20 3HD1 ILE 20 -12.326 9.029 9.029 150 H ALA 21 H ALA 21 -13.529 8.606 8.606 151 HA ALA 21 HA ALA 21 -12.187 8.800 8.800 152 1HB ALA 21 3HB ALA 21 -14.618 8.328 8.328 153 2HB ALA 21 1HB ALA 21 -14.852 9.922 9.922 154 3HB ALA 21 2HB ALA 21 -14.352 9.795 9.795 155 HA PRO 22 HA PRO 22 -10.481 12.890 12.890 156 1HB PRO 22 1HB PRO 22 -12.164 13.739 13.739 157 2HB PRO 22 2HB PRO 22 -10.414 13.976 13.976 158 1HG PRO 22 1HG PRO 22 -11.252 11.994 11.994 159 2HG PRO 22 2HG PRO 22 -9.980 11.643 11.643 160 1HD PRO 22 2HD PRO 22 -12.952 11.097 11.097 161 2HD PRO 22 1HD PRO 22 -11.593 9.991 9.991 162 H ASP 23 HN ASP 23 -13.966 12.853 12.853 163 HA ASP 23 HA ASP 23 -14.650 15.412 15.412 164 1HB ASP 23 1HB ASP 23 -16.171 14.261 14.261 165 2HB ASP 23 2HB ASP 23 -16.131 12.800 12.800 166 H GLY 24 H GLY 24 -13.512 12.675 12.675 167 1HA GLY 24 1HA GLY 24 -13.123 12.707 12.707 168 2HA GLY 24 2HA GLY 24 -14.445 13.841 13.841 169 H THR 25 H THR 25 -15.700 11.618 11.618 170 HA THR 25 HA THR 25 -17.419 10.400 10.400 171 HB THR 25 HB THR 25 -17.013 8.981 8.981 172 HG1 THR 25 HG1 THR 25 -17.609 11.752 11.752 173 1HG2 THR 25 1HG2 THR 25 -19.117 8.913 8.913 174 2HG2 THR 25 3HG2 THR 25 -19.327 10.662 10.662 175 3HG2 THR 25 2HG2 THR 25 -19.378 9.550 9.550 176 H GLU 26 HN GLU 26 -16.699 8.973 8.973 177 HA GLU 26 HA GLU 26 -14.243 7.545 7.545 178 1HB GLU 26 2HB GLU 26 -16.458 7.033 7.033 179 2HB GLU 26 1HB GLU 26 -14.713 6.797 6.797 180 1HG GLU 26 2HG GLU 26 -14.807 8.773 8.773 181 2HG GLU 26 1HG GLU 26 -14.742 9.482 9.482 182 H ILE 27 H ILE 27 -13.908 5.683 5.683 183 HA ILE 27 HA ILE 27 -16.192 3.859 3.859 184 HB ILE 27 HB ILE 27 -13.241 3.692 3.692 185 1HG1 ILE 27 1HG1 ILE 27 -13.960 3.827 3.827 186 2HG1 ILE 27 2HG1 ILE 27 -15.642 4.073 4.073 187 1HG2 ILE 27 3HG2 ILE 27 -15.535 1.836 1.836 188 2HG2 ILE 27 1HG2 ILE 27 -13.880 1.731 1.731 189 3HG2 ILE 27 2HG2 ILE 27 -14.192 1.417 1.417 190 1HD1 ILE 27 1HD1 ILE 27 -13.381 5.962 5.962 191 2HD1 ILE 27 3HD1 ILE 27 -14.318 6.111 6.111 192 3HD1 ILE 27 2HD1 ILE 27 -15.145 6.256 6.256 193 H VAL 28 H VAL 28 -13.153 4.169 4.169 194 HA VAL 28 HA VAL 28 -14.193 2.300 2.300 195 HB VAL 28 HB VAL 28 -11.400 2.103 2.103 196 1HG1 VAL 28 1HG2 VAL 28 -12.617 0.742 0.742 197 2HG1 VAL 28 2HG2 VAL 28 -11.061 0.329 0.329 198 3HG1 VAL 28 3HG2 VAL 28 -11.272 1.904 1.904 199 1HG2 VAL 28 2HG1 VAL 28 -13.745 0.153 0.153 200 2HG2 VAL 28 1HG1 VAL 28 -13.014 0.839 0.839 201 3HG2 VAL 28 3HG1 VAL 28 -12.099 -0.304 -0.304 202 H LYS 29 HN LYS 29 -14.555 3.817 3.817 203 HA LYS 29 HA LYS 29 -12.846 6.142 6.142 204 1HB LYS 29 1HB LYS 29 -15.368 6.083 6.083 205 2HB LYS 29 2HB LYS 29 -15.148 5.068 5.068 206 1HG LYS 29 1HG LYS 29 -13.890 6.908 6.908 207 2HG LYS 29 2HG LYS 29 -13.951 7.858 7.858 208 1HD LYS 29 2HD LYS 29 -15.614 8.709 8.709 209 2HD LYS 29 1HD LYS 29 -16.448 7.922 7.922 210 1HE LYS 29 1HE LYS 29 -16.887 5.932 5.932 211 2HE LYS 29 2HE LYS 29 -15.934 6.625 6.625 212 1HZ LYS 29 2HZ LYS 29 -18.404 7.754 7.754 213 2HZ LYS 29 3HZ LYS 29 -18.271 6.935 6.935 214 3HZ LYS 29 1HZ LYS 29 -17.530 8.395 8.395 215 H GLY 30 H GLY 30 -11.091 4.268 4.268 216 1HA GLY 30 1HA GLY 30 -10.828 3.043 3.043 217 2HA GLY 30 2HA GLY 30 -9.795 2.809 2.809 218 H ALA 31 H ALA 31 -8.260 3.170 3.170 219 HA ALA 31 HA ALA 31 -7.898 5.947 5.947 220 1HB ALA 31 1HB ALA 31 -7.379 3.938 3.938 221 2HB ALA 31 2HB ALA 31 -6.032 3.582 3.582 222 3HB ALA 31 3HB ALA 31 -6.026 5.074 5.074 223 H LYS 32 HN LYS 32 -5.465 6.698 6.698 224 HA LYS 32 HA LYS 32 -4.368 6.354 6.354 225 1HB LYS 32 1HB LYS 32 -4.695 8.981 8.981 226 2HB LYS 32 2HB LYS 32 -3.796 8.746 8.746 227 1HG LYS 32 1HG LYS 32 -5.880 7.876 7.876 228 2HG LYS 32 2HG LYS 32 -6.787 8.294 8.294 229 1HD LYS 32 2HD LYS 32 -6.044 10.673 10.673 230 2HD LYS 32 1HD LYS 32 -5.220 10.251 10.251 231 1HE LYS 32 2HE LYS 32 -8.221 9.970 9.970 232 2HE LYS 32 1HE LYS 32 -7.445 11.266 11.266 233 1HZ LYS 32 1HZ LYS 32 -6.663 9.617 9.617 234 2HZ LYS 32 3HZ LYS 32 -7.435 8.413 8.413 235 3HZ LYS 32 2HZ LYS 32 -8.306 9.610 9.610 236 H THR 33 H THR 33 -3.613 4.785 4.785 237 HA THR 33 HA THR 33 -1.287 5.850 5.850 238 HB THR 33 HB THR 33 -1.975 2.944 2.944 239 HG1 THR 33 HG1 THR 33 -3.006 4.692 4.692 240 1HG2 THR 33 2HG2 THR 33 -0.587 4.312 4.312 241 2HG2 THR 33 3HG2 THR 33 -0.928 2.575 2.575 242 3HG2 THR 33 1HG2 THR 33 0.209 3.352 3.352 243 H GLY 34 H GLY 34 -2.140 4.258 4.258 244 1HA GLY 34 1HA GLY 34 0.585 4.696 4.696 245 2HA GLY 34 2HA GLY 34 -0.441 3.330 3.330 246 HA PRO 35 HA PRO 35 -1.537 7.457 7.457 247 1HB PRO 35 1HB PRO 35 -0.917 5.728 5.728 248 2HB PRO 35 2HB PRO 35 -0.642 7.481 7.481 249 1HG PRO 35 2HG PRO 35 1.382 5.676 5.676 250 2HG PRO 35 1HG PRO 35 1.301 7.080 7.080 251 1HD PRO 35 1HD PRO 35 0.621 4.232 4.232 252 2HD PRO 35 2HD PRO 35 1.351 5.467 5.467 253 H ASN 36 H ASN 36 -3.265 7.587 7.587 254 HA ASN 36 HA ASN 36 -5.376 5.581 5.581 255 1HB ASN 36 1HB ASN 36 -5.980 7.976 7.976 256 2HB ASN 36 2HB ASN 36 -5.454 8.144 8.144 257 1HD2 ASN 36 2HD2 ASN 36 -9.089 7.167 7.167 258 2HD2 ASN 36 1HD2 ASN 36 -8.099 7.261 7.261 259 H LEU 37 H LEU 37 -5.803 4.077 4.077 260 HA LEU 37 HA LEU 37 -3.713 3.844 3.844 261 1HB LEU 37 2HB LEU 37 -5.595 1.730 1.730 262 2HB LEU 37 1HB LEU 37 -4.228 1.499 1.499 263 HG LEU 37 HG LEU 37 -4.062 2.370 2.370 264 1HD1 LEU 37 1HD1 LEU 37 -4.611 -0.016 -0.016 265 2HD1 LEU 37 3HD1 LEU 37 -3.180 -0.177 -0.177 266 3HD1 LEU 37 2HD1 LEU 37 -2.992 0.174 0.174 267 1HD2 LEU 37 2HD2 LEU 37 -1.859 1.981 1.981 268 2HD2 LEU 37 3HD2 LEU 37 -2.194 3.453 3.453 269 3HD2 LEU 37 1HD2 LEU 37 -1.555 2.013 2.013 270 H TYR 38 H TYR 38 -6.576 5.372 5.372 271 HA TYR 38 HA TYR 38 -7.902 4.064 4.064 272 1HB TYR 38 2HB TYR 38 -9.078 5.663 5.663 273 2HB TYR 38 1HB TYR 38 -7.903 6.920 6.920 274 HD1 TYR 38 HD1 TYR 38 -10.570 4.813 4.813 275 HD2 TYR 38 HD2 TYR 38 -8.224 8.416 8.416 276 HE1 TYR 38 HE1 TYR 38 -11.734 5.504 5.504 277 HE2 TYR 38 HE2 TYR 38 -9.354 9.094 9.094 278 HH TYR 38 HH TYR 38 -11.766 7.135 7.135 279 H GLY 39 H GLY 39 -6.200 3.448 3.448 280 1HA GLY 39 1HA GLY 39 -5.366 3.808 3.808 281 2HA GLY 39 2HA GLY 39 -5.395 5.556 5.556 282 H VAL 40 H VAL 40 -4.092 3.000 3.000 283 HA VAL 40 HA VAL 40 -1.450 4.187 4.187 284 HB VAL 40 HB VAL 40 -2.507 2.745 2.745 285 1HG1 VAL 40 1HG2 VAL 40 -3.077 0.771 0.771 286 2HG1 VAL 40 2HG2 VAL 40 -1.338 0.464 0.464 287 3HG1 VAL 40 3HG2 VAL 40 -2.053 0.355 0.355 288 1HG2 VAL 40 2HG1 VAL 40 -0.192 3.563 3.563 289 2HG2 VAL 40 3HG1 VAL 40 -0.298 1.924 1.924 290 3HG2 VAL 40 1HG1 VAL 40 0.345 2.178 2.178 291 H VAL 41 H VAL 41 -3.129 1.622 1.622 292 HA VAL 41 HA VAL 41 -0.892 0.343 0.343 293 HB VAL 41 HB VAL 41 -3.777 0.545 0.545 294 1HG1 VAL 41 1HG1 VAL 41 -1.571 -1.455 -1.455 295 2HG1 VAL 41 2HG1 VAL 41 -3.266 -1.569 -1.569 296 3HG1 VAL 41 3HG1 VAL 41 -2.258 -0.245 -0.245 297 1HG2 VAL 41 2HG2 VAL 41 -2.389 -1.536 -1.536 298 2HG2 VAL 41 1HG2 VAL 41 -3.678 -0.424 -0.424 299 3HG2 VAL 41 3HG2 VAL 41 -4.024 -1.688 -1.688 300 H GLY 42 H GLY 42 0.544 1.434 1.434 301 1HA GLY 42 1HA GLY 42 1.244 2.376 2.376 302 2HA GLY 42 2HA GLY 42 -0.266 3.282 3.282 303 H ARG 43 HN ARG 43 0.370 3.701 3.701 304 HA ARG 43 HA ARG 43 1.338 6.398 6.398 305 1HB ARG 43 2HB ARG 43 -0.320 5.436 5.436 306 2HB ARG 43 1HB ARG 43 1.104 4.860 4.860 307 1HG ARG 43 1HG ARG 43 0.616 6.883 6.883 308 2HG ARG 43 2HG ARG 43 1.971 7.278 7.278 309 1HD ARG 43 2HD ARG 43 0.253 9.018 9.018 310 2HD ARG 43 1HD ARG 43 0.404 8.312 8.312 311 HE ARG 43 HE ARG 43 -1.599 6.799 6.799 312 1HH1 ARG 43 1HH2 ARG 43 -1.237 10.322 10.322 313 2HH1 ARG 43 2HH2 ARG 43 -2.954 10.595 10.595 314 1HH2 ARG 43 1HH1 ARG 43 -3.688 7.114 7.114 315 2HH2 ARG 43 2HH1 ARG 43 -4.425 8.705 8.705 316 H THR 44 H THR 44 3.452 7.164 7.164 317 HA THR 44 HA THR 44 5.652 5.362 5.362 318 HB THR 44 HB THR 44 5.542 8.331 8.331 319 HG1 THR 44 HG1 THR 44 5.892 6.918 6.918 320 1HG2 THR 44 2HG2 THR 44 7.817 6.465 6.465 321 2HG2 THR 44 1HG2 THR 44 7.939 8.231 8.231 322 3HG2 THR 44 3HG2 THR 44 7.631 7.250 7.250 323 H ALA 45 H ALA 45 6.455 4.418 4.418 324 HA ALA 45 HA ALA 45 4.997 4.570 4.570 325 1HB ALA 45 1HB ALA 45 6.527 2.718 2.718 326 2HB ALA 45 3HB ALA 45 7.919 3.801 3.801 327 3HB ALA 45 2HB ALA 45 6.848 3.325 3.325 328 H GLY 46 H GLY 46 5.621 5.427 5.427 329 1HA GLY 46 1HA GLY 46 6.312 7.040 7.040 330 2HA GLY 46 2HA GLY 46 7.705 7.288 7.288 331 H THR 47 H THR 47 4.509 7.809 7.809 332 HA THR 47 HA THR 47 4.446 10.614 10.614 333 HB THR 47 HB THR 47 6.222 10.739 10.739 334 HG1 THR 47 HG1 THR 47 3.753 11.827 11.827 335 1HG2 THR 47 3HG2 THR 47 4.228 9.541 9.541 336 2HG2 THR 47 2HG2 THR 47 5.762 10.331 10.331 337 3HG2 THR 47 1HG2 THR 47 5.780 8.850 8.850 338 H TYR 48 H TYR 48 2.517 8.363 8.363 339 HA TYR 48 HA TYR 48 0.353 9.263 9.263 340 1HB TYR 48 2HB TYR 48 0.400 6.961 6.961 341 2HB TYR 48 1HB TYR 48 0.123 7.641 7.641 342 HD1 TYR 48 HD1 TYR 48 -1.958 9.093 9.093 343 HD2 TYR 48 HD2 TYR 48 -1.481 6.493 6.493 344 HE1 TYR 48 HE1 TYR 48 -4.305 9.528 9.528 345 HE2 TYR 48 HE2 TYR 48 -3.861 6.748 6.748 346 HH TYR 48 HH TYR 48 -5.830 7.848 7.848 347 HA PRO 49 HA PRO 49 0.147 13.119 13.119 348 1HB PRO 49 2HB PRO 49 -2.841 12.751 12.751 349 2HB PRO 49 1HB PRO 49 -1.886 14.260 14.260 350 1HG PRO 49 1HG PRO 49 -2.528 12.872 12.872 351 2HG PRO 49 2HG PRO 49 -0.854 13.469 13.469 352 1HD PRO 49 1HD PRO 49 -1.902 10.670 10.670 353 2HD PRO 49 2HD PRO 49 -0.368 11.228 11.228 354 H GLU 50 HN GLU 50 -0.413 14.119 14.119 355 HA GLU 50 HA GLU 50 -0.675 14.242 14.242 356 1HB GLU 50 1HB GLU 50 -3.050 14.234 14.234 357 2HB GLU 50 2HB GLU 50 -3.160 12.544 12.544 358 1HG GLU 50 2HG GLU 50 -2.704 13.294 13.294 359 2HG GLU 50 1HG GLU 50 -2.673 14.968 14.968 360 H PHE 51 H PHE 51 1.350 12.750 12.750 361 HA PHE 51 HA PHE 51 0.930 11.109 11.109 362 1HB PHE 51 2HB PHE 51 0.198 9.526 9.526 363 2HB PHE 51 1HB PHE 51 1.864 9.569 9.569 364 HD1 PHE 51 HD1 PHE 51 -0.385 8.768 8.768 365 HD2 PHE 51 HD2 PHE 51 3.627 8.431 8.431 366 HE1 PHE 51 HE1 PHE 51 0.230 7.312 7.312 367 HE2 PHE 51 HE2 PHE 51 4.215 6.908 6.908 368 HZ PHE 51 HZ PHE 51 2.478 6.256 6.256 369 H LYS 52 HN LYS 52 2.634 11.342 11.342 370 HA LYS 52 HA LYS 52 5.181 12.378 12.378 371 1HB LYS 52 2HB LYS 52 4.145 13.069 13.069 372 2HB LYS 52 1HB LYS 52 4.369 11.419 11.419 373 1HG LYS 52 2HG LYS 52 6.930 11.839 11.839 374 2HG LYS 52 1HG LYS 52 6.447 13.525 13.525 375 1HD LYS 52 2HD LYS 52 7.423 12.974 12.974 376 2HD LYS 52 1HD LYS 52 5.732 13.446 13.446 377 1HE LYS 52 2HE LYS 52 6.519 11.452 11.452 378 2HE LYS 52 1HE LYS 52 5.054 11.174 11.174 379 1HZ LYS 52 3HZ LYS 52 7.754 10.352 10.352 380 2HZ LYS 52 1HZ LYS 52 6.611 9.366 9.366 381 3HZ LYS 52 2HZ LYS 52 6.353 10.043 10.043 382 H TYR 53 H TYR 53 5.936 10.700 10.700 383 HA TYR 53 HA TYR 53 6.318 7.979 7.979 384 1HB TYR 53 1HB TYR 53 7.602 9.596 9.596 385 2HB TYR 53 2HB TYR 53 7.689 7.841 7.841 386 HD1 TYR 53 HD1 TYR 53 5.676 6.411 6.411 387 HD2 TYR 53 HD2 TYR 53 5.644 10.617 10.617 388 HE1 TYR 53 HE1 TYR 53 3.600 6.102 6.102 389 HE2 TYR 53 HE2 TYR 53 3.478 10.335 10.335 390 HH TYR 53 HH TYR 53 1.726 8.899 8.899 391 H LYS 54 HN LYS 54 8.724 7.145 7.145 392 HA LYS 54 HA LYS 54 10.632 8.481 8.481 393 1HB LYS 54 2HB LYS 54 10.788 5.624 5.624 394 2HB LYS 54 1HB LYS 54 11.661 6.393 6.393 395 1HG LYS 54 1HG LYS 54 9.688 6.498 6.498 396 2HG LYS 54 2HG LYS 54 8.652 5.944 5.944 397 1HD LYS 54 1HD LYS 54 9.061 4.096 4.096 398 2HD LYS 54 2HD LYS 54 9.824 3.798 3.798 399 1HE LYS 54 2HE LYS 54 12.040 4.402 4.402 400 2HE LYS 54 1HE LYS 54 11.254 4.682 4.682 401 1HZ LYS 54 3HZ LYS 54 10.568 2.359 2.359 402 2HZ LYS 54 1HZ LYS 54 11.371 2.165 2.165 403 3HZ LYS 54 2HZ LYS 54 12.209 2.518 2.518 404 H ASP 55 HN ASP 55 12.918 7.622 7.622 405 HA ASP 55 HA ASP 55 13.414 8.918 8.918 406 1HB ASP 55 2HB ASP 55 14.969 9.060 9.060 407 2HB ASP 55 1HB ASP 55 15.227 7.305 7.305 408 H SER 56 H SER 56 13.026 5.473 5.473 409 HA SER 56 HA SER 56 14.697 4.339 4.339 410 1HB SER 56 2HB SER 56 13.257 2.314 2.314 411 2HB SER 56 1HB SER 56 14.292 3.129 3.129 412 HG SER 56 HG SER 56 12.145 2.899 2.899 413 H ILE 57 H ILE 57 11.253 4.128 4.128 414 HA ILE 57 HA ILE 57 10.509 3.223 3.223 415 HB ILE 57 HB ILE 57 9.292 3.318 3.318 416 1HG1 ILE 57 2HG1 ILE 57 7.577 4.033 4.033 417 2HG1 ILE 57 1HG1 ILE 57 8.367 2.465 2.465 418 1HG2 ILE 57 2HG2 ILE 57 9.361 5.770 5.770 419 2HG2 ILE 57 1HG2 ILE 57 8.186 5.963 5.963 420 3HG2 ILE 57 3HG2 ILE 57 7.739 5.097 5.097 421 1HD1 ILE 57 3HD1 ILE 57 7.128 2.124 2.124 422 2HD1 ILE 57 1HD1 ILE 57 6.211 3.615 3.615 423 3HD1 ILE 57 2HD1 ILE 57 6.101 2.230 2.230 424 H VAL 58 H VAL 58 10.841 6.670 6.670 425 HA VAL 58 HA VAL 58 9.831 7.662 7.662 426 HB VAL 58 HB VAL 58 11.657 8.918 8.918 427 1HG1 VAL 58 2HG1 VAL 58 9.822 10.040 10.040 428 2HG1 VAL 58 1HG1 VAL 58 10.632 11.015 11.015 429 3HG1 VAL 58 3HG1 VAL 58 11.604 10.149 10.149 430 1HG2 VAL 58 2HG2 VAL 58 9.334 8.101 8.101 431 2HG2 VAL 58 3HG2 VAL 58 9.661 9.834 9.834 432 3HG2 VAL 58 1HG2 VAL 58 8.631 9.231 9.231 433 H ALA 59 H ALA 59 13.167 6.935 6.935 434 HA ALA 59 HA ALA 59 14.499 7.803 7.803 435 1HB ALA 59 3HB ALA 59 15.271 5.563 5.563 436 2HB ALA 59 1HB ALA 59 16.346 6.322 6.322 437 3HB ALA 59 2HB ALA 59 15.701 7.282 7.282 438 H LEU 60 H LEU 60 13.021 4.616 4.616 439 HA LEU 60 HA LEU 60 13.765 3.367 3.367 440 1HB LEU 60 2HB LEU 60 12.819 2.158 2.158 441 2HB LEU 60 1HB LEU 60 11.297 3.020 3.020 442 HG LEU 60 HG LEU 60 10.868 2.025 2.025 443 1HD1 LEU 60 1HD2 LEU 60 13.402 0.399 0.399 444 2HD1 LEU 60 2HD2 LEU 60 12.184 0.146 0.146 445 3HD1 LEU 60 3HD2 LEU 60 13.145 1.622 1.622 446 1HD2 LEU 60 3HD1 LEU 60 11.536 0.019 0.019 447 2HD2 LEU 60 1HD1 LEU 60 10.020 0.931 0.931 448 3HD2 LEU 60 2HD1 LEU 60 10.456 -0.285 -0.285 449 H GLY 61 H GLY 61 10.844 5.171 5.171 450 1HA GLY 61 1HA GLY 61 9.317 5.251 5.251 451 2HA GLY 61 2HA GLY 61 9.500 6.595 6.595 452 H ALA 62 H ALA 62 11.980 7.477 7.477 453 HA ALA 62 HA ALA 62 11.941 9.160 9.160 454 1HB ALA 62 3HB ALA 62 13.295 9.465 9.465 455 2HB ALA 62 1HB ALA 62 14.438 8.235 8.235 456 3HB ALA 62 2HB ALA 62 14.220 9.744 9.744 457 H SER 63 H SER 63 13.184 5.807 5.807 458 HA SER 63 HA SER 63 14.672 6.253 6.253 459 1HB SER 63 2HB SER 63 14.976 3.884 3.884 460 2HB SER 63 1HB SER 63 15.250 4.455 4.455 461 HG SER 63 HG SER 63 13.124 3.720 3.720 462 H GLY 64 H GLY 64 11.401 6.382 6.382 463 1HA GLY 64 1HA GLY 64 9.713 6.676 6.676 464 2HA GLY 64 2HA GLY 64 10.654 5.829 5.829 465 H PHE 65 H PHE 65 10.150 4.767 4.767 466 HA PHE 65 HA PHE 65 9.285 2.169 2.169 467 1HB PHE 65 2HB PHE 65 10.824 2.156 2.156 468 2HB PHE 65 1HB PHE 65 9.731 3.132 3.132 469 HD1 PHE 65 HD2 PHE 65 9.431 -0.036 -0.036 470 HD2 PHE 65 HD1 PHE 65 8.592 1.937 1.937 471 HE1 PHE 65 HE2 PHE 65 7.847 -1.833 -1.833 472 HE2 PHE 65 HE1 PHE 65 7.078 0.098 0.098 473 HZ PHE 65 HZ PHE 65 6.660 -1.761 -1.761 474 H ALA 66 H ALA 66 7.439 2.861 2.861 475 HA ALA 66 HA ALA 66 5.026 3.771 3.771 476 1HB ALA 66 1HB ALA 66 5.478 2.469 2.469 477 2HB ALA 66 2HB ALA 66 3.959 3.191 3.191 478 3HB ALA 66 3HB ALA 66 5.392 4.214 4.214 479 H TRP 67 H TRP 67 3.886 2.434 2.434 480 HA TRP 67 HA TRP 67 4.432 -0.279 -0.279 481 1HB TRP 67 1HB TRP 67 2.214 1.717 1.717 482 2HB TRP 67 2HB TRP 67 2.026 0.066 0.066 483 HD1 TRP 67 HD1 TRP 67 2.891 3.047 3.047 484 HE1 TRP 67 HE1 TRP 67 4.105 2.581 2.581 485 HE3 TRP 67 HE3 TRP 67 4.101 -1.874 -1.874 486 HZ2 TRP 67 HZ2 TRP 67 5.514 0.433 0.433 487 HZ3 TRP 67 HZ3 TRP 67 5.435 -3.084 -3.084 488 HH2 TRP 67 HH2 TRP 67 6.211 -1.924 -1.924 489 H THR 68 H THR 68 3.201 -2.057 -2.057 490 HA THR 68 HA THR 68 1.211 -1.826 -1.826 491 HB THR 68 HB THR 68 2.095 -3.821 -3.821 492 HG1 THR 68 HG1 THR 68 4.437 -3.856 -3.856 493 1HG2 THR 68 2HG2 THR 68 3.074 -1.671 -1.671 494 2HG2 THR 68 3HG2 THR 68 4.412 -1.884 -1.884 495 3HG2 THR 68 1HG2 THR 68 4.197 -3.038 -3.038 496 H GLU 69 HN GLU 69 -0.224 -3.814 -3.814 497 HA GLU 69 HA GLU 69 -1.138 -4.499 -4.499 498 1HB GLU 69 1HB GLU 69 -2.118 -6.455 -6.455 499 2HB GLU 69 2HB GLU 69 -2.701 -4.820 -4.820 500 1HG GLU 69 1HG GLU 69 -0.532 -6.019 -6.019 501 2HG GLU 69 2HG GLU 69 -2.231 -6.413 -6.413 502 H GLU 70 HN GLU 70 1.253 -6.056 -6.056 503 HA GLU 70 HA GLU 70 1.560 -8.470 -8.470 504 1HB GLU 70 2HB GLU 70 3.533 -7.082 -7.082 505 2HB GLU 70 1HB GLU 70 3.610 -8.756 -8.756 506 1HG GLU 70 1HG GLU 70 1.376 -9.179 -9.179 507 2HG GLU 70 2HG GLU 70 1.427 -7.548 -7.548 508 H ASP 71 HN ASP 71 3.471 -5.395 -5.395 509 HA ASP 71 HA ASP 71 5.344 -6.197 -6.197 510 1HB ASP 71 2HB ASP 71 4.416 -3.470 -3.470 511 2HB ASP 71 1HB ASP 71 5.712 -3.735 -3.735 512 H ILE 72 H ILE 72 2.260 -4.378 -4.378 513 HA ILE 72 HA ILE 72 2.328 -3.816 -3.816 514 HB ILE 72 HB ILE 72 0.036 -4.328 -4.328 515 1HG1 ILE 72 1HG1 ILE 72 1.544 -2.267 -2.267 516 2HG1 ILE 72 2HG1 ILE 72 -0.203 -2.020 -2.020 517 1HG2 ILE 72 3HG2 ILE 72 -0.110 -3.416 -3.416 518 2HG2 ILE 72 1HG2 ILE 72 -1.415 -3.174 -3.174 519 3HG2 ILE 72 2HG2 ILE 72 -0.913 -4.807 -4.807 520 1HD1 ILE 72 1HD1 ILE 72 1.776 -1.569 -1.569 521 2HD1 ILE 72 2HD1 ILE 72 1.047 -0.312 -0.312 522 3HD1 ILE 72 3HD1 ILE 72 0.018 -1.250 -1.250 523 H ALA 73 H ALA 73 0.825 -6.575 -6.575 524 HA ALA 73 HA ALA 73 -0.052 -8.028 -8.028 525 1HB ALA 73 1HB ALA 73 -0.608 -8.611 -8.611 526 2HB ALA 73 3HB ALA 73 1.069 -9.104 -9.104 527 3HB ALA 73 2HB ALA 73 0.075 -10.012 -10.012 528 H THR 74 H THR 74 3.177 -8.163 -8.163 529 HA THR 74 HA THR 74 4.264 -10.141 -10.141 530 HB THR 74 HB THR 74 5.766 -7.895 -7.895 531 HG1 THR 74 HG1 THR 74 4.452 -8.974 -8.974 532 1HG2 THR 74 3HG2 THR 74 6.584 -10.727 -10.727 533 2HG2 THR 74 1HG2 THR 74 7.575 -9.573 -9.573 534 3HG2 THR 74 2HG2 THR 74 7.157 -9.239 -9.239 535 H TYR 75 H TYR 75 4.580 -6.566 -6.566 536 HA TYR 75 HA TYR 75 6.114 -6.272 -6.272 537 1HB TYR 75 1HB TYR 75 5.670 -4.452 -4.452 538 2HB TYR 75 2HB TYR 75 3.934 -4.585 -4.585 539 HD1 TYR 75 HD1 TYR 75 6.996 -4.115 -4.115 540 HD2 TYR 75 HD2 TYR 75 2.919 -2.995 -2.995 541 HE1 TYR 75 HE1 TYR 75 7.171 -2.269 -2.269 542 HE2 TYR 75 HE2 TYR 75 3.087 -1.236 -1.236 543 HH TYR 75 HH TYR 75 4.412 -0.069 -0.069 544 H VAL 76 H VAL 76 2.521 -6.541 -6.541 545 HA VAL 76 HA VAL 76 1.964 -6.196 -6.196 546 HB VAL 76 HB VAL 76 0.639 -7.783 -7.783 547 1HG1 VAL 76 3HG2 VAL 76 -0.382 -7.400 -7.400 548 2HG1 VAL 76 1HG2 VAL 76 -1.392 -7.876 -7.876 549 3HG1 VAL 76 2HG2 VAL 76 -0.087 -8.942 -8.942 550 1HG2 VAL 76 3HG1 VAL 76 0.673 -5.235 -5.235 551 2HG2 VAL 76 2HG1 VAL 76 -0.945 -5.951 -5.951 552 3HG2 VAL 76 1HG1 VAL 76 -0.215 -5.258 -5.258 553 H LYS 77 HN LYS 77 3.433 -9.021 -9.021 554 HA LYS 77 HA LYS 77 3.172 -10.627 -10.627 555 1HB LYS 77 1HB LYS 77 4.482 -11.497 -11.497 556 2HB LYS 77 2HB LYS 77 3.819 -12.475 -12.475 557 1HG LYS 77 2HG LYS 77 1.520 -11.428 -11.428 558 2HG LYS 77 1HG LYS 77 2.356 -10.874 -10.874 559 1HD LYS 77 1HD LYS 77 2.991 -13.218 -13.218 560 2HD LYS 77 2HD LYS 77 2.085 -13.771 -13.771 561 1HE LYS 77 1HE LYS 77 0.005 -12.747 -12.747 562 2HE LYS 77 2HE LYS 77 0.921 -12.241 -12.241 563 1HZ LYS 77 3HZ LYS 77 1.380 -14.553 -14.553 564 2HZ LYS 77 2HZ LYS 77 0.488 -15.011 -15.011 565 3HZ LYS 77 1HZ LYS 77 -0.240 -14.266 -14.266 566 H ASP 78 HN ASP 78 5.433 -8.685 -8.685 567 HA ASP 78 HA ASP 78 7.771 -9.612 -9.612 568 1HB ASP 78 1HB ASP 78 7.602 -8.933 -8.933 569 2HB ASP 78 2HB ASP 78 9.094 -9.269 -9.269 570 HA PRO 79 HA PRO 79 7.354 -4.942 -4.942 571 1HB PRO 79 1HB PRO 79 7.313 -4.517 -4.517 572 2HB PRO 79 2HB PRO 79 5.831 -4.914 -4.914 573 1HG PRO 79 1HG PRO 79 7.661 -6.858 -6.858 574 2HG PRO 79 2HG PRO 79 5.915 -6.632 -6.632 575 1HD PRO 79 2HD PRO 79 6.850 -8.566 -8.566 576 2HD PRO 79 1HD PRO 79 5.466 -7.567 -7.567 577 H GLY 80 H GLY 80 9.287 -3.728 -3.728 578 1HA GLY 80 1HA GLY 80 11.469 -3.205 -3.205 579 2HA GLY 80 2HA GLY 80 11.514 -4.590 -4.590 580 H ALA 81 H ALA 81 11.241 -6.773 -6.773 581 HA ALA 81 HA ALA 81 13.516 -7.325 -7.325 582 1HB ALA 81 3HB ALA 81 10.818 -8.720 -8.720 583 2HB ALA 81 1HB ALA 81 12.290 -9.399 -9.399 584 3HB ALA 81 2HB ALA 81 12.231 -9.066 -9.066 585 H PHE 82 H PHE 82 10.189 -6.583 -6.583 586 HA PHE 82 HA PHE 82 10.668 -6.686 -6.686 587 1HB PHE 82 2HB PHE 82 8.454 -6.347 -6.347 588 2HB PHE 82 1HB PHE 82 8.947 -4.745 -4.745 589 HD1 PHE 82 HD1 PHE 82 7.992 -6.839 -6.839 590 HD2 PHE 82 HD2 PHE 82 9.112 -2.870 -2.870 591 HE1 PHE 82 HE1 PHE 82 7.625 -5.990 -5.990 592 HE2 PHE 82 HE2 PHE 82 8.883 -2.069 -2.069 593 HZ PHE 82 HZ PHE 82 8.223 -3.644 -3.644 594 H LEU 83 H LEU 83 11.168 -3.873 -3.873 595 HA LEU 83 HA LEU 83 11.994 -2.071 -2.071 596 1HB LEU 83 1HB LEU 83 12.494 -2.002 -2.002 597 2HB LEU 83 2HB LEU 83 12.937 -0.780 -0.780 598 HG LEU 83 HG LEU 83 10.334 -0.949 -0.949 599 1HD1 LEU 83 3HD2 LEU 83 9.794 -2.603 -2.603 600 2HD1 LEU 83 1HD2 LEU 83 10.406 -1.461 -1.461 601 3HD1 LEU 83 2HD2 LEU 83 8.987 -1.043 -1.043 602 1HD2 LEU 83 3HD1 LEU 83 11.534 0.651 0.651 603 2HD2 LEU 83 1HD1 LEU 83 11.587 1.108 1.108 604 3HD2 LEU 83 2HD1 LEU 83 10.035 1.057 1.057 605 H LYS 84 HN LYS 84 13.778 -3.941 -3.941 606 HA LYS 84 HA LYS 84 16.403 -3.345 -3.345 607 1HB LYS 84 2HB LYS 84 15.190 -5.977 -5.977 608 2HB LYS 84 1HB LYS 84 16.932 -5.687 -5.687 609 1HG LYS 84 2HG LYS 84 16.861 -3.917 -3.917 610 2HG LYS 84 1HG LYS 84 15.082 -3.898 -3.898 611 1HD LYS 84 2HD LYS 84 14.973 -6.045 -6.045 612 2HD LYS 84 1HD LYS 84 16.706 -6.329 -6.329 613 1HE LYS 84 1HE LYS 84 16.325 -5.681 -5.681 614 2HE LYS 84 2HE LYS 84 17.257 -4.427 -4.427 615 1HZ LYS 84 3HZ LYS 84 15.175 -3.213 -3.213 616 2HZ LYS 84 2HZ LYS 84 14.379 -4.363 -4.363 617 3HZ LYS 84 1HZ LYS 84 15.558 -3.462 -3.462 618 H GLU 85 HN GLU 85 14.368 -5.972 -5.972 619 HA GLU 85 HA GLU 85 16.179 -6.962 -6.962 620 1HB GLU 85 2HB GLU 85 14.025 -7.996 -7.996 621 2HB GLU 85 1HB GLU 85 13.153 -6.609 -6.609 622 1HG GLU 85 2HG GLU 85 14.081 -7.038 -7.038 623 2HG GLU 85 1HG GLU 85 15.037 -8.372 -8.372 624 H LYS 86 HN LYS 86 13.750 -4.391 -4.391 625 HA LYS 86 HA LYS 86 14.740 -3.845 -3.845 626 1HB LYS 86 2HB LYS 86 13.039 -2.127 -2.127 627 2HB LYS 86 1HB LYS 86 13.244 -1.891 -1.891 628 1HG LYS 86 1HG LYS 86 11.946 -4.317 -4.317 629 2HG LYS 86 2HG LYS 86 11.121 -2.973 -2.973 630 1HD LYS 86 2HD LYS 86 12.388 -3.563 -3.563 631 2HD LYS 86 1HD LYS 86 12.911 -5.052 -5.052 632 1HE LYS 86 1HE LYS 86 10.026 -4.201 -4.201 633 2HE LYS 86 2HE LYS 86 10.928 -5.454 -5.454 634 1HZ LYS 86 1HZ LYS 86 11.070 -6.688 -6.688 635 2HZ LYS 86 2HZ LYS 86 10.234 -5.513 -5.513 636 3HZ LYS 86 3HZ LYS 86 9.501 -6.370 -6.370 637 H LEU 87 H LEU 87 15.215 -2.035 -2.035 638 HA LEU 87 HA LEU 87 16.763 0.000 0.000 639 1HB LEU 87 2HB LEU 87 15.127 0.420 0.420 640 2HB LEU 87 1HB LEU 87 16.211 -0.435 -0.435 641 HG LEU 87 HG LEU 87 17.922 1.308 1.308 642 1HD1 LEU 87 1HD1 LEU 87 15.933 2.580 2.580 643 2HD1 LEU 87 3HD1 LEU 87 17.322 3.427 3.427 644 3HD1 LEU 87 2HD1 LEU 87 17.592 2.055 2.055 645 1HD2 LEU 87 2HD2 LEU 87 16.142 1.569 1.569 646 2HD2 LEU 87 3HD2 LEU 87 16.735 3.126 3.126 647 3HD2 LEU 87 1HD2 LEU 87 15.173 2.499 2.499 648 H ASP 88 HN ASP 88 17.555 -2.892 -2.892 649 HA ASP 88 HA ASP 88 19.458 -3.834 -3.834 650 1HB ASP 88 1HB ASP 88 19.967 -3.779 -3.779 651 2HB ASP 88 2HB ASP 88 20.692 -2.175 -2.175 652 H ASP 89 HN ASP 89 18.699 -2.170 -2.170 653 HA ASP 89 HA ASP 89 21.101 -0.723 -0.723 654 1HB ASP 89 2HB ASP 89 19.800 1.032 1.032 655 2HB ASP 89 1HB ASP 89 18.287 0.302 0.302 656 H LYS 90 HN LYS 90 21.449 -0.998 -0.998 657 HA LYS 90 HA LYS 90 20.207 -3.168 -3.168 658 1HB LYS 90 2HB LYS 90 22.595 -2.467 -2.467 659 2HB LYS 90 1HB LYS 90 22.082 -0.997 -0.997 660 1HG LYS 90 1HG LYS 90 21.097 -2.394 -2.394 661 2HG LYS 90 2HG LYS 90 21.568 -3.863 -3.863 662 1HD LYS 90 2HD LYS 90 23.962 -3.141 -3.141 663 2HD LYS 90 1HD LYS 90 23.483 -1.729 -1.729 664 1HE LYS 90 2HE LYS 90 23.061 -4.653 -4.653 665 2HE LYS 90 1HE LYS 90 24.349 -3.596 -3.596 666 1HZ LYS 90 2HZ LYS 90 22.672 -2.166 -2.166 667 2HZ LYS 90 3HZ LYS 90 21.473 -3.168 -3.168 668 3HZ LYS 90 1HZ LYS 90 22.546 -3.695 -3.695 669 H LYS 91 HN LYS 91 19.864 0.421 0.421 670 HA LYS 91 HA LYS 91 18.100 0.114 0.114 671 1HB LYS 91 2HB LYS 91 18.100 2.487 2.487 672 2HB LYS 91 1HB LYS 91 19.763 1.916 1.916 673 1HG LYS 91 1HG LYS 91 19.890 2.714 2.714 674 2HG LYS 91 2HG LYS 91 18.145 3.043 3.043 675 1HD LYS 91 1HD LYS 91 18.407 4.770 4.770 676 2HD LYS 91 2HD LYS 91 20.163 4.483 4.483 677 1HE LYS 91 1HE LYS 91 20.317 5.129 5.129 678 2HE LYS 91 2HE LYS 91 18.556 5.320 5.320 679 1HZ LYS 91 3HZ LYS 91 20.348 6.920 6.920 680 2HZ LYS 91 1HZ LYS 91 19.638 7.397 7.397 681 3HZ LYS 91 2HZ LYS 91 18.705 7.074 7.074 682 H ALA 92 H ALA 92 17.395 -0.771 -0.771 683 HA ALA 92 HA ALA 92 15.148 0.892 0.892 684 1HB ALA 92 3HB ALA 92 16.483 -0.321 -0.321 685 2HB ALA 92 2HB ALA 92 15.991 -1.864 -1.864 686 3HB ALA 92 1HB ALA 92 14.797 -0.823 -0.823 687 H LYS 93 HN LYS 93 14.301 0.802 0.802 688 HA LYS 93 HA LYS 93 12.557 -1.578 -1.578 689 1HB LYS 93 2HB LYS 93 13.583 0.657 0.657 690 2HB LYS 93 1HB LYS 93 12.575 -0.701 -0.701 691 1HG LYS 93 1HG LYS 93 14.353 -2.289 -2.289 692 2HG LYS 93 2HG LYS 93 15.397 -0.972 -0.972 693 1HD LYS 93 1HD LYS 93 14.403 -1.502 -1.502 694 2HD LYS 93 2HD LYS 93 16.052 -1.683 -1.683 695 1HE LYS 93 1HE LYS 93 14.511 0.918 0.918 696 2HE LYS 93 2HE LYS 93 15.941 0.352 0.352 697 1HZ LYS 93 2HZ LYS 93 17.184 0.544 0.544 698 2HZ LYS 93 1HZ LYS 93 15.861 1.078 1.078 699 3HZ LYS 93 3HZ LYS 93 16.491 1.985 1.985 700 H THR 94 H THR 94 10.296 -1.217 -1.217 701 HA THR 94 HA THR 94 9.343 1.502 1.502 702 HB THR 94 HB THR 94 8.356 -0.209 -0.209 703 HG1 THR 94 HG1 THR 94 6.251 0.076 0.076 704 1HG2 THR 94 1HG2 THR 94 7.722 -1.728 -1.728 705 2HG2 THR 94 2HG2 THR 94 7.085 -2.129 -2.129 706 3HG2 THR 94 3HG2 THR 94 8.814 -2.261 -2.261 707 H GLY 95 H GLY 95 7.650 2.382 2.382 708 1HA GLY 95 1HA GLY 95 8.025 2.048 2.048 709 2HA GLY 95 2HA GLY 95 6.742 2.965 2.965 710 H MET 96 H MET 96 6.193 0.412 0.412 711 HA MET 96 HA MET 96 4.095 -0.511 -0.511 712 1HB MET 96 2HB MET 96 4.225 -0.351 -0.351 713 2HB MET 96 1HB MET 96 5.046 -1.901 -1.901 714 1HG MET 96 2HG MET 96 3.205 -2.929 -2.929 715 2HG MET 96 1HG MET 96 2.480 -1.500 -1.500 716 1HE MET 96 2HE MET 96 3.735 -2.729 -2.729 717 2HE MET 96 1HE MET 96 3.025 -4.199 -4.199 718 3HE MET 96 3HE MET 96 2.208 -3.381 -3.381 719 H ALA 97 H ALA 97 5.285 -1.184 -1.184 720 HA ALA 97 HA ALA 97 6.627 -3.772 -3.772 721 1HB ALA 97 1HB ALA 97 7.084 -2.068 -2.068 722 2HB ALA 97 2HB ALA 97 5.402 -2.166 -2.166 723 3HB ALA 97 3HB ALA 97 6.482 -3.568 -3.568 724 H PHE 98 H PHE 98 4.598 -4.391 -4.391 725 HA PHE 98 HA PHE 98 2.913 -6.238 -6.238 726 1HB PHE 98 2HB PHE 98 1.477 -4.376 -4.376 727 2HB PHE 98 1HB PHE 98 1.882 -3.666 -3.666 728 HD1 PHE 98 HD1 PHE 98 -0.100 -6.398 -6.398 729 HD2 PHE 98 HD2 PHE 98 0.868 -4.337 -4.337 730 HE1 PHE 98 HE1 PHE 98 -1.838 -7.691 -7.691 731 HE2 PHE 98 HE2 PHE 98 -0.832 -5.652 -5.652 732 HZ PHE 98 HZ PHE 98 -2.240 -7.301 -7.301 733 H LYS 99 HN LYS 99 1.993 -7.746 -7.746 734 HA LYS 99 HA LYS 99 2.177 -7.441 -7.441 735 1HB LYS 99 1HB LYS 99 3.605 -9.438 -9.438 736 2HB LYS 99 2HB LYS 99 4.437 -8.124 -8.124 737 1HG LYS 99 1HG LYS 99 4.303 -9.260 -9.260 738 2HG LYS 99 2HG LYS 99 3.395 -10.588 -10.588 739 1HD LYS 99 1HD LYS 99 5.344 -11.070 -11.070 740 2HD LYS 99 2HD LYS 99 6.226 -9.723 -9.723 741 1HE LYS 99 2HE LYS 99 6.987 -11.808 -11.808 742 2HE LYS 99 1HE LYS 99 6.147 -10.854 -10.854 743 1HZ LYS 99 3HZ LYS 99 4.989 -13.086 -13.086 744 2HZ LYS 99 2HZ LYS 99 5.520 -13.160 -13.160 745 3HZ LYS 99 1HZ LYS 99 4.220 -12.224 -12.224 746 H LEU 100 H LEU 100 1.397 -9.435 -9.435 747 HA LEU 100 HA LEU 100 -0.217 -11.245 -11.245 748 1HB LEU 100 1HB LEU 100 -1.511 -9.256 -9.256 749 2HB LEU 100 2HB LEU 100 -1.184 -9.794 -9.794 750 HG LEU 100 HG LEU 100 -2.326 -11.967 -11.967 751 1HD1 LEU 100 2HD2 LEU 100 -3.054 -10.638 -10.638 752 2HD1 LEU 100 1HD2 LEU 100 -3.880 -12.060 -12.060 753 3HD1 LEU 100 3HD2 LEU 100 -2.179 -12.171 -12.171 754 1HD2 LEU 100 2HD1 LEU 100 -3.477 -10.025 -10.025 755 2HD2 LEU 100 3HD1 LEU 100 -4.571 -11.077 -11.077 756 3HD2 LEU 100 1HD1 LEU 100 -4.056 -9.518 -9.518 757 H ALA 101 H ALA 101 0.523 -13.277 -13.277 758 HA ALA 101 HA ALA 101 1.966 -13.711 -13.711 759 1HB ALA 101 2HB ALA 101 2.724 -14.657 -14.657 760 2HB ALA 101 1HB ALA 101 1.238 -15.630 -15.630 761 3HB ALA 101 3HB ALA 101 2.408 -15.920 -15.920 762 H LYS 102 HN LYS 102 -0.555 -12.944 -12.944 763 HA LYS 102 HA LYS 102 -1.495 -14.721 -14.721 764 1HB LYS 102 1HB LYS 102 -3.653 -15.445 -15.445 765 2HB LYS 102 2HB LYS 102 -2.353 -16.203 -16.203 766 1HG LYS 102 1HG LYS 102 -2.590 -14.602 -14.602 767 2HG LYS 102 2HG LYS 102 -3.833 -13.702 -13.702 768 1HD LYS 102 2HD LYS 102 -4.035 -16.564 -16.564 769 2HD LYS 102 1HD LYS 102 -4.829 -15.135 -15.135 770 1HE LYS 102 2HE LYS 102 -5.422 -16.513 -16.513 771 2HE LYS 102 1HE LYS 102 -6.477 -16.335 -16.335 772 1HZ LYS 102 2HZ LYS 102 -6.516 -13.960 -13.960 773 2HZ LYS 102 1HZ LYS 102 -5.546 -14.148 -14.148 774 3HZ LYS 102 3HZ LYS 102 -7.054 -14.805 -14.805 775 H GLY 103 H GLY 103 -4.057 -13.850 -13.850 776 1HA GLY 103 1HA GLY 103 -5.505 -12.090 -12.090 777 2HA GLY 103 2HA GLY 103 -4.585 -11.196 -11.196 778 H GLY 104 H GLY 104 -2.143 -10.827 -10.827 779 1HA GLY 104 1HA GLY 104 -1.929 -8.621 -8.621 780 2HA GLY 104 2HA GLY 104 -0.888 -9.970 -9.970 781 H GLU 105 HN GLU 105 -2.461 -11.579 -11.579 782 HA GLU 105 HA GLU 105 -2.544 -10.187 -10.187 783 1HB GLU 105 2HB GLU 105 -3.490 -12.315 -12.315 784 2HB GLU 105 1HB GLU 105 -1.915 -12.454 -12.454 785 1HG GLU 105 2HG GLU 105 -4.495 -13.195 -13.195 786 2HG GLU 105 1HG GLU 105 -3.647 -14.286 -14.286 787 H ASP 106 HN ASP 106 -5.074 -11.464 -11.464 788 HA ASP 106 HA ASP 106 -7.349 -10.726 -10.726 789 1HB ASP 106 1HB ASP 106 -7.147 -10.988 -10.988 790 2HB ASP 106 2HB ASP 106 -8.593 -11.088 -11.088 791 H VAL 107 H VAL 107 -5.611 -9.180 -9.180 792 HA VAL 107 HA VAL 107 -7.142 -6.790 -6.790 793 HB VAL 107 HB VAL 107 -4.269 -7.484 -7.484 794 1HG1 VAL 107 2HG1 VAL 107 -5.863 -4.977 -4.977 795 2HG1 VAL 107 1HG1 VAL 107 -4.328 -5.490 -5.490 796 3HG1 VAL 107 3HG1 VAL 107 -4.370 -5.052 -5.052 797 1HG2 VAL 107 2HG2 VAL 107 -6.073 -8.697 -8.697 798 2HG2 VAL 107 1HG2 VAL 107 -5.168 -7.581 -7.581 799 3HG2 VAL 107 3HG2 VAL 107 -6.782 -7.134 -7.134 800 H ALA 108 H ALA 108 -4.153 -7.543 -7.543 801 HA ALA 108 HA ALA 108 -3.870 -4.991 -4.991 802 1HB ALA 108 1HB ALA 108 -3.156 -7.714 -7.714 803 2HB ALA 108 3HB ALA 108 -2.595 -6.138 -6.138 804 3HB ALA 108 2HB ALA 108 -2.134 -6.690 -6.690 805 H ALA 109 H ALA 109 -5.745 -7.852 -7.852 806 HA ALA 109 HA ALA 109 -6.801 -6.608 -6.608 807 1HB ALA 109 1HB ALA 109 -6.960 -9.010 -9.010 808 2HB ALA 109 2HB ALA 109 -8.066 -8.757 -8.757 809 3HB ALA 109 3HB ALA 109 -8.567 -8.319 -8.319 810 H TYR 110 H TYR 110 -8.039 -6.669 -6.669 811 HA TYR 110 HA TYR 110 -10.394 -5.194 -5.194 812 1HB TYR 110 2HB TYR 110 -10.042 -6.341 -6.341 813 2HB TYR 110 1HB TYR 110 -8.666 -5.321 -5.321 814 HD1 TYR 110 HD2 TYR 110 -12.235 -4.771 -4.771 815 HD2 TYR 110 HD1 TYR 110 -9.101 -3.733 -3.733 816 HE1 TYR 110 HE2 TYR 110 -13.733 -3.140 -3.140 817 HE2 TYR 110 HE1 TYR 110 -10.642 -2.158 -2.158 818 HH TYR 110 HH TYR 110 -14.088 -1.991 -1.991 819 H LEU 111 H LEU 111 -7.107 -3.944 -3.944 820 HA LEU 111 HA LEU 111 -7.768 -1.231 -1.231 821 1HB LEU 111 2HB LEU 111 -5.227 -2.796 -2.796 822 2HB LEU 111 1HB LEU 111 -5.283 -1.047 -1.047 823 HG LEU 111 HG LEU 111 -6.294 -2.839 -2.839 824 1HD1 LEU 111 3HD2 LEU 111 -3.902 -3.251 -3.251 825 2HD1 LEU 111 1HD2 LEU 111 -3.578 -1.506 -1.506 826 3HD1 LEU 111 2HD2 LEU 111 -4.159 -2.365 -2.365 827 1HD2 LEU 111 2HD1 LEU 111 -5.629 0.130 0.130 828 2HD2 LEU 111 3HD1 LEU 111 -7.219 -0.588 -0.588 829 3HD2 LEU 111 1HD1 LEU 111 -5.924 -0.754 -0.754 830 H ALA 112 H ALA 112 -6.517 -3.311 -3.311 831 HA ALA 112 HA ALA 112 -6.466 -1.372 -1.372 832 1HB ALA 112 3HB ALA 112 -5.509 -3.628 -3.628 833 2HB ALA 112 1HB ALA 112 -7.143 -4.325 -4.325 834 3HB ALA 112 2HB ALA 112 -6.597 -3.240 -3.240 835 H SER 113 H SER 113 -9.210 -3.370 -3.370 836 HA SER 113 HA SER 113 -11.102 -2.387 -2.387 837 1HB SER 113 2HB SER 113 -11.688 -3.509 -3.509 838 2HB SER 113 1HB SER 113 -12.777 -3.426 -3.426 839 HG SER 113 HG SER 113 -10.348 -4.922 -4.922 840 H VAL 114 H VAL 114 -10.105 -1.324 -1.324 841 HA VAL 114 HA VAL 114 -12.188 0.529 0.529 842 HB VAL 114 HB VAL 114 -9.623 -0.311 -0.311 843 1HG1 VAL 114 2HG2 VAL 114 -10.472 2.516 2.516 844 2HG1 VAL 114 1HG2 VAL 114 -9.290 1.554 1.554 845 3HG1 VAL 114 3HG2 VAL 114 -8.936 1.991 1.991 846 1HG2 VAL 114 1HG1 VAL 114 -11.852 -0.987 -0.987 847 2HG2 VAL 114 3HG1 VAL 114 -10.901 -0.166 -0.166 848 3HG2 VAL 114 2HG1 VAL 114 -12.202 0.706 0.706 849 H VAL 115 H VAL 115 -8.988 0.927 0.927 850 HA VAL 115 HA VAL 115 -9.289 3.793 3.793 851 HB VAL 115 HB VAL 115 -7.173 2.807 2.807 852 1HG1 VAL 115 1HG2 VAL 115 -7.359 0.752 0.752 853 2HG1 VAL 115 3HG2 VAL 115 -7.543 1.598 1.598 854 3HG1 VAL 115 2HG2 VAL 115 -6.030 1.715 1.715 855 1HG2 VAL 115 2HG1 VAL 115 -7.462 5.024 5.024 856 2HG2 VAL 115 3HG1 VAL 115 -6.068 4.159 4.159 857 3HG2 VAL 115 1HG1 VAL 115 -7.577 4.245 4.245 858 H LYS 116 HN LYS 116 -11.366 4.032 4.032 859 HA LYS 116 HA LYS 116 -11.942 3.825 3.825 860 1HB LYS 116 2HB LYS 116 -14.254 3.337 3.337 861 2HB LYS 116 1HB LYS 116 -13.224 2.157 2.157 862 1HG LYS 116 2HG LYS 116 -13.318 3.837 3.837 863 2HG LYS 116 1HG LYS 116 -14.644 4.597 4.597 864 1HD LYS 116 2HD LYS 116 -16.023 2.663 2.663 865 2HD LYS 116 1HD LYS 116 -14.659 1.615 1.615 866 1HE LYS 116 2HE LYS 116 -15.437 4.027 4.027 867 2HE LYS 116 1HE LYS 116 -16.177 2.433 2.433 868 1HZ LYS 116 3HZ LYS 116 -13.288 2.940 2.940 869 2HZ LYS 116 1HZ LYS 116 -14.290 2.811 2.811 870 3HZ LYS 116 2HZ LYS 116 -14.060 1.522 1.522 871 HHA HEC 117 HHA HEM 117 2.918 2.886 2.886 872 HHB HEC 117 HHB HEM 117 -0.651 -1.624 -1.624 873 HHC HEC 117 HHC HEM 117 -2.557 -3.494 -3.494 874 HHD HEC 117 HHD HEM 117 1.786 0.269 0.269 875 1HMA HEC 117 1HMA HEM 117 1.703 0.548 0.548 876 2HMA HEC 117 2HMA HEM 117 1.398 -1.124 -1.124 877 3HMA HEC 117 3HMA HEM 117 0.040 0.019 0.019 878 1HAA HEC 117 1HAA HEM 117 3.514 1.549 1.549 879 2HAA HEC 117 2HAA HEM 117 3.749 2.516 2.516 880 1HBA HEC 117 1HBA HEM 117 1.684 2.978 2.978 881 2HBA HEC 117 2HBA HEM 117 1.714 3.871 3.871 882 1HMB HEC 117 1HMB HEM 117 -2.522 -4.249 -4.249 883 2HMB HEC 117 2HMB HEM 117 -3.920 -3.207 -3.207 884 3HMB HEC 117 3HMB HEM 117 -2.554 -2.548 -2.548 885 HAB HEC 117 HAB HEM 117 -3.608 -4.655 -4.655 886 1HBB HEC 117 1HBB HEM 117 -4.984 -5.870 -5.870 887 2HBB HEC 117 2HBB HEM 117 -5.026 -4.647 -4.647 888 3HBB HEC 117 3HBB HEM 117 -3.562 -5.656 -5.656 889 1HMC HEC 117 1HMC HEM 117 -3.376 -2.804 -2.804 890 2HMC HEC 117 2HMC HEM 117 -2.114 -4.025 -4.025 891 3HMC HEC 117 3HMC HEM 117 -2.436 -2.808 -2.808 892 HAC HEC 117 HAC HEM 117 -0.066 0.356 0.356 893 1HBC HEC 117 1HBC HEM 117 0.901 -1.757 -1.757 894 2HBC HEC 117 2HBC HEM 117 -0.195 -1.009 -1.009 895 3HBC HEC 117 3HBC HEM 117 -0.727 -2.416 -2.416 896 1HMD HEC 117 1HMD HEM 117 2.492 3.306 3.306 897 2HMD HEC 117 2HMD HEM 117 4.157 3.254 3.254 898 3HMD HEC 117 3HMD HEM 117 3.460 1.826 1.826 899 1HAD HEC 117 1HAD HEM 117 3.622 4.420 4.420 900 2HAD HEC 117 2HAD HEM 117 4.116 4.441 4.441 901 1HBD HEC 117 1HBD HEM 117 5.315 2.747 2.747 902 2HBD HEC 117 2HBD HEM 117 5.606 2.456 2.456 Start of MODEL 8 1 1H GLY 1 1H GLY 1 -5.524 -11.605 -11.605 2 2H GLY 1 2H GLY 1 -7.165 -11.840 -11.840 3 1HA GLY 1 1HA GLY 1 -6.453 -13.099 -13.099 4 2HA GLY 1 2HA GLY 1 -6.021 -11.521 -11.521 5 H ASP 2 HN ASP 2 -7.811 -13.045 -13.045 6 HA ASP 2 HA ASP 2 -10.544 -12.588 -12.588 7 1HB ASP 2 1HB ASP 2 -9.707 -14.537 -14.537 8 2HB ASP 2 2HB ASP 2 -9.563 -13.465 -13.465 9 H ALA 3 H ALA 3 -10.318 -10.280 -10.280 10 HA ALA 3 HA ALA 3 -9.967 -8.295 -8.295 11 1HB ALA 3 2HB ALA 3 -12.082 -8.414 -8.414 12 2HB ALA 3 1HB ALA 3 -11.553 -6.937 -6.937 13 3HB ALA 3 3HB ALA 3 -10.406 -7.851 -7.851 14 H ALA 4 H ALA 4 -12.881 -10.324 -10.324 15 HA ALA 4 HA ALA 4 -14.599 -8.817 -8.817 16 1HB ALA 4 2HB ALA 4 -15.430 -10.547 -10.547 17 2HB ALA 4 1HB ALA 4 -14.631 -11.812 -11.812 18 3HB ALA 4 3HB ALA 4 -15.948 -10.861 -10.861 19 H LYS 5 HN LYS 5 -12.436 -11.630 -11.630 20 HA LYS 5 HA LYS 5 -12.967 -11.571 -11.571 21 1HB LYS 5 1HB LYS 5 -10.658 -12.698 -12.698 22 2HB LYS 5 2HB LYS 5 -10.789 -12.846 -12.846 23 1HG LYS 5 1HG LYS 5 -12.945 -14.001 -14.001 24 2HG LYS 5 2HG LYS 5 -12.900 -13.831 -13.831 25 1HD LYS 5 2HD LYS 5 -10.814 -15.201 -15.201 26 2HD LYS 5 1HD LYS 5 -10.830 -15.324 -15.324 27 1HE LYS 5 1HE LYS 5 -11.710 -17.366 -17.366 28 2HE LYS 5 2HE LYS 5 -12.943 -16.587 -16.587 29 1HZ LYS 5 2HZ LYS 5 -12.723 -16.236 -16.236 30 2HZ LYS 5 1HZ LYS 5 -13.731 -17.324 -17.324 31 3HZ LYS 5 3HZ LYS 5 -13.938 -15.707 -15.707 32 H GLY 6 H GLY 6 -10.442 -10.130 -10.130 33 1HA GLY 6 1HA GLY 6 -8.789 -8.884 -8.884 34 2HA GLY 6 2HA GLY 6 -9.240 -8.197 -8.197 35 H GLU 7 HN GLU 7 -11.888 -7.575 -7.575 36 HA GLU 7 HA GLU 7 -11.956 -5.137 -5.137 37 1HB GLU 7 1HB GLU 7 -13.562 -5.910 -5.910 38 2HB GLU 7 2HB GLU 7 -14.291 -7.009 -7.009 39 1HG GLU 7 2HG GLU 7 -14.971 -5.094 -5.094 40 2HG GLU 7 1HG GLU 7 -14.196 -3.974 -3.974 41 H LYS 8 HN LYS 8 -12.943 -8.362 -8.362 42 HA LYS 8 HA LYS 8 -13.975 -7.303 -7.303 43 1HB LYS 8 2HB LYS 8 -13.154 -10.172 -10.172 44 2HB LYS 8 1HB LYS 8 -14.330 -9.561 -9.561 45 1HG LYS 8 1HG LYS 8 -14.583 -9.677 -9.677 46 2HG LYS 8 2HG LYS 8 -15.461 -10.639 -10.639 47 1HD LYS 8 2HD LYS 8 -16.634 -8.649 -8.649 48 2HD LYS 8 1HD LYS 8 -15.752 -7.600 -7.600 49 1HE LYS 8 2HE LYS 8 -17.522 -9.918 -9.918 50 2HE LYS 8 1HE LYS 8 -18.063 -8.235 -8.235 51 1HZ LYS 8 1HZ LYS 8 -15.813 -9.099 -9.099 52 2HZ LYS 8 3HZ LYS 8 -17.359 -8.868 -8.868 53 3HZ LYS 8 2HZ LYS 8 -16.502 -7.601 -7.601 54 H GLU 9 HN GLU 9 -11.035 -8.884 -8.884 55 HA GLU 9 HA GLU 9 -9.601 -9.192 -9.192 56 1HB GLU 9 1HB GLU 9 -9.104 -9.932 -9.932 57 2HB GLU 9 2HB GLU 9 -8.255 -8.384 -8.384 58 1HG GLU 9 2HG GLU 9 -7.721 -10.689 -10.689 59 2HG GLU 9 1HG GLU 9 -6.728 -10.220 -10.220 60 H PHE 10 H PHE 10 -9.985 -6.385 -6.385 61 HA PHE 10 HA PHE 10 -8.233 -4.620 -4.620 62 1HB PHE 10 2HB PHE 10 -9.989 -4.382 -4.382 63 2HB PHE 10 1HB PHE 10 -10.981 -3.612 -3.612 64 HD1 PHE 10 HD2 PHE 10 -7.755 -3.517 -3.517 65 HD2 PHE 10 HD1 PHE 10 -10.272 -1.430 -1.430 66 HE1 PHE 10 HE2 PHE 10 -6.245 -1.578 -1.578 67 HE2 PHE 10 HE1 PHE 10 -8.758 0.542 0.542 68 HZ PHE 10 HZ PHE 10 -6.764 0.488 0.488 69 H ASN 11 H ASN 11 -10.987 -5.876 -5.876 70 HA ASN 11 HA ASN 11 -11.395 -3.821 -3.821 71 1HB ASN 11 2HB ASN 11 -12.497 -5.335 -5.335 72 2HB ASN 11 1HB ASN 11 -12.698 -6.054 -6.054 73 1HD2 ASN 11 2HD2 ASN 11 -10.528 -8.865 -8.865 74 2HD2 ASN 11 1HD2 ASN 11 -11.092 -7.869 -7.869 75 H LYS 12 HN LYS 12 -8.649 -6.017 -6.017 76 HA LYS 12 HA LYS 12 -7.458 -5.346 -5.346 77 1HB LYS 12 2HB LYS 12 -6.334 -6.651 -6.651 78 2HB LYS 12 1HB LYS 12 -5.459 -6.459 -6.459 79 1HG LYS 12 2HG LYS 12 -8.013 -8.100 -8.100 80 2HG LYS 12 1HG LYS 12 -6.364 -8.715 -8.715 81 1HD LYS 12 2HD LYS 12 -6.738 -9.088 -9.088 82 2HD LYS 12 1HD LYS 12 -6.315 -7.382 -7.382 83 1HE LYS 12 1HE LYS 12 -8.809 -6.847 -6.847 84 2HE LYS 12 2HE LYS 12 -9.119 -8.587 -8.587 85 1HZ LYS 12 1HZ LYS 12 -8.098 -8.811 -8.811 86 2HZ LYS 12 2HZ LYS 12 -7.806 -7.188 -7.188 87 3HZ LYS 12 3HZ LYS 12 -9.355 -7.747 -7.747 88 H CYS 13 H CYS 13 -6.797 -4.582 -4.582 89 HA CYS 13 HA CYS 13 -4.689 -2.828 -2.828 90 1HB CYS 13 1HB CYS 13 -6.937 -2.462 -2.462 91 2HB CYS 13 2HB CYS 13 -5.264 -1.918 -1.918 92 H LYS 14 HN LYS 14 -8.158 -1.987 -1.987 93 HA LYS 14 HA LYS 14 -7.849 0.761 0.761 94 1HB LYS 14 2HB LYS 14 -10.047 0.921 0.921 95 2HB LYS 14 1HB LYS 14 -9.987 -0.604 -0.604 96 1HG LYS 14 2HG LYS 14 -9.866 -1.806 -1.806 97 2HG LYS 14 1HG LYS 14 -9.990 -0.264 -0.264 98 1HD LYS 14 2HD LYS 14 -12.151 0.208 0.208 99 2HD LYS 14 1HD LYS 14 -12.113 -1.408 -1.408 100 1HE LYS 14 2HE LYS 14 -12.060 -0.799 -0.799 101 2HE LYS 14 1HE LYS 14 -13.505 -1.258 -1.258 102 1HZ LYS 14 3HZ LYS 14 -11.104 -2.943 -2.943 103 2HZ LYS 14 2HZ LYS 14 -12.480 -3.104 -3.104 104 3HZ LYS 14 1HZ LYS 14 -12.522 -3.335 -3.335 105 H THR 15 H THR 15 -6.903 -1.514 -1.514 106 HA THR 15 HA THR 15 -7.199 0.032 0.032 107 HB THR 15 HB THR 15 -4.955 -1.916 -1.916 108 HG1 THR 15 HG1 THR 15 -6.845 -2.974 -2.974 109 1HG2 THR 15 3HG2 THR 15 -6.150 -1.037 -1.037 110 2HG2 THR 15 1HG2 THR 15 -4.979 -2.353 -2.353 111 3HG2 THR 15 2HG2 THR 15 -4.505 -0.685 -0.685 112 H CYS 16 H CYS 16 -4.893 0.268 0.268 113 HA CYS 16 HA CYS 16 -3.608 2.612 2.612 114 1HB CYS 16 1HB CYS 16 -2.462 0.692 0.692 115 2HB CYS 16 2HB CYS 16 -1.778 2.271 2.271 116 H HIS 17 HN HIS 17 -4.904 1.284 1.284 117 HA HIS 17 HA HIS 17 -4.542 3.889 3.889 118 1HB HIS 17 2HB HIS 17 -5.592 1.220 1.220 119 2HB HIS 17 1HB HIS 17 -5.147 2.588 2.588 120 HD1 HIS 17 HD1 HIS 17 -2.706 3.538 3.538 121 HD2 HIS 17 HD2 HIS 17 -3.183 -0.431 -0.431 122 HE1 HIS 17 HE1 HIS 17 -0.457 2.414 2.414 123 H SER 18 H SER 18 -6.330 4.193 4.193 124 HA SER 18 HA SER 18 -9.090 3.715 3.715 125 1HB SER 18 1HB SER 18 -7.832 6.491 6.491 126 2HB SER 18 2HB SER 18 -9.552 6.256 6.256 127 HG SER 18 HG SER 18 -8.117 5.400 5.400 128 H ILE 19 H ILE 19 -10.559 4.675 4.675 129 HA ILE 19 HA ILE 19 -9.223 4.944 4.944 130 HB ILE 19 HB ILE 19 -11.513 3.034 3.034 131 1HG1 ILE 19 2HG1 ILE 19 -8.662 2.590 2.590 132 2HG1 ILE 19 1HG1 ILE 19 -9.253 2.138 2.138 133 1HG2 ILE 19 1HG2 ILE 19 -11.738 4.315 4.315 134 2HG2 ILE 19 2HG2 ILE 19 -10.218 3.522 3.522 135 3HG2 ILE 19 3HG2 ILE 19 -11.668 2.566 2.566 136 1HD1 ILE 19 1HD1 ILE 19 -10.884 0.572 0.572 137 2HD1 ILE 19 3HD1 ILE 19 -10.144 0.932 0.932 138 3HD1 ILE 19 2HD1 ILE 19 -9.186 0.171 0.171 139 H ILE 20 H ILE 20 -10.053 6.610 6.610 140 HA ILE 20 HA ILE 20 -12.482 7.977 7.977 141 HB ILE 20 HB ILE 20 -10.056 8.954 8.954 142 1HG1 ILE 20 1HG1 ILE 20 -11.138 11.338 11.338 143 2HG1 ILE 20 2HG1 ILE 20 -12.591 10.351 10.351 144 1HG2 ILE 20 2HG2 ILE 20 -9.296 8.854 8.854 145 2HG2 ILE 20 1HG2 ILE 20 -10.472 10.134 10.134 146 3HG2 ILE 20 3HG2 ILE 20 -9.160 10.439 10.439 147 1HD1 ILE 20 3HD1 ILE 20 -12.034 9.342 9.342 148 2HD1 ILE 20 2HD1 ILE 20 -10.773 10.573 10.573 149 3HD1 ILE 20 1HD1 ILE 20 -12.473 11.066 11.066 150 H ALA 21 H ALA 21 -13.999 8.630 8.630 151 HA ALA 21 HA ALA 21 -13.652 7.582 7.582 152 1HB ALA 21 3HB ALA 21 -15.850 7.806 7.806 153 2HB ALA 21 1HB ALA 21 -15.705 9.570 9.570 154 3HB ALA 21 2HB ALA 21 -15.849 8.584 8.584 155 HA PRO 22 HA PRO 22 -11.652 10.999 10.999 156 1HB PRO 22 2HB PRO 22 -14.036 11.191 11.191 157 2HB PRO 22 1HB PRO 22 -12.297 11.187 11.187 158 1HG PRO 22 2HG PRO 22 -13.746 8.918 8.918 159 2HG PRO 22 1HG PRO 22 -12.136 8.841 8.841 160 1HD PRO 22 2HD PRO 22 -14.843 8.905 8.905 161 2HD PRO 22 1HD PRO 22 -13.453 7.834 7.834 162 H ASP 23 HN ASP 23 -15.145 11.461 11.461 163 HA ASP 23 HA ASP 23 -15.112 14.341 14.341 164 1HB ASP 23 1HB ASP 23 -17.471 14.015 14.015 165 2HB ASP 23 2HB ASP 23 -17.083 13.095 13.095 166 H GLY 24 H GLY 24 -14.001 12.130 12.130 167 1HA GLY 24 1HA GLY 24 -13.042 12.903 12.903 168 2HA GLY 24 2HA GLY 24 -14.254 14.172 14.172 169 H THR 25 H THR 25 -16.335 11.803 11.803 170 HA THR 25 HA THR 25 -17.107 11.353 11.353 171 HB THR 25 HB THR 25 -17.818 9.713 9.713 172 HG1 THR 25 HG1 THR 25 -18.416 11.821 11.821 173 1HG2 THR 25 2HG2 THR 25 -19.205 9.995 9.995 174 2HG2 THR 25 3HG2 THR 25 -19.875 9.179 9.179 175 3HG2 THR 25 1HG2 THR 25 -18.440 8.517 8.517 176 H GLU 26 HN GLU 26 -16.065 10.186 10.186 177 HA GLU 26 HA GLU 26 -13.974 8.344 8.344 178 1HB GLU 26 1HB GLU 26 -13.968 7.887 7.887 179 2HB GLU 26 2HB GLU 26 -13.987 9.613 9.613 180 1HG GLU 26 1HG GLU 26 -16.513 9.591 9.591 181 2HG GLU 26 2HG GLU 26 -16.313 7.939 7.939 182 H ILE 27 H ILE 27 -13.989 6.266 6.266 183 HA ILE 27 HA ILE 27 -16.601 4.819 4.819 184 HB ILE 27 HB ILE 27 -13.930 4.212 4.212 185 1HG1 ILE 27 2HG1 ILE 27 -14.853 6.144 6.144 186 2HG1 ILE 27 1HG1 ILE 27 -15.133 4.753 4.753 187 1HG2 ILE 27 1HG2 ILE 27 -16.628 2.812 2.812 188 2HG2 ILE 27 2HG2 ILE 27 -15.250 2.531 2.531 189 3HG2 ILE 27 3HG2 ILE 27 -15.118 2.145 2.145 190 1HD1 ILE 27 2HD1 ILE 27 -17.518 4.655 4.655 191 2HD1 ILE 27 1HD1 ILE 27 -17.170 6.221 6.221 192 3HD1 ILE 27 3HD1 ILE 27 -17.141 6.065 6.065 193 H VAL 28 H VAL 28 -13.182 4.488 4.488 194 HA VAL 28 HA VAL 28 -14.124 2.574 2.574 195 HB VAL 28 HB VAL 28 -11.417 2.510 2.510 196 1HG1 VAL 28 2HG2 VAL 28 -12.604 0.882 0.882 197 2HG1 VAL 28 3HG2 VAL 28 -11.070 0.553 0.553 198 3HG1 VAL 28 1HG2 VAL 28 -11.253 2.033 2.033 199 1HG2 VAL 28 2HG1 VAL 28 -13.783 0.571 0.571 200 2HG2 VAL 28 1HG1 VAL 28 -13.190 1.473 1.473 201 3HG2 VAL 28 3HG1 VAL 28 -12.180 0.216 0.216 202 H LYS 29 HN LYS 29 -14.479 4.006 4.006 203 HA LYS 29 HA LYS 29 -12.691 6.241 6.241 204 1HB LYS 29 2HB LYS 29 -15.115 6.398 6.398 205 2HB LYS 29 1HB LYS 29 -15.148 5.099 5.099 206 1HG LYS 29 2HG LYS 29 -13.732 6.528 6.528 207 2HG LYS 29 1HG LYS 29 -13.756 7.798 7.798 208 1HD LYS 29 1HD LYS 29 -16.326 7.743 7.743 209 2HD LYS 29 2HD LYS 29 -16.133 6.603 6.603 210 1HE LYS 29 1HE LYS 29 -16.464 8.831 8.831 211 2HE LYS 29 2HE LYS 29 -14.802 8.326 8.326 212 1HZ LYS 29 1HZ LYS 29 -15.623 10.054 10.054 213 2HZ LYS 29 2HZ LYS 29 -14.971 10.587 10.587 214 3HZ LYS 29 3HZ LYS 29 -14.077 9.657 9.657 215 H GLY 30 H GLY 30 -10.837 4.791 4.791 216 1HA GLY 30 1HA GLY 30 -10.651 2.998 2.998 217 2HA GLY 30 2HA GLY 30 -9.569 3.066 3.066 218 H ALA 31 H ALA 31 -7.808 3.430 3.430 219 HA ALA 31 HA ALA 31 -7.697 6.035 6.035 220 1HB ALA 31 1HB ALA 31 -6.863 3.939 3.939 221 2HB ALA 31 3HB ALA 31 -5.628 3.833 3.833 222 3HB ALA 31 2HB ALA 31 -5.633 5.205 5.205 223 H LYS 32 HN LYS 32 -5.301 6.995 6.995 224 HA LYS 32 HA LYS 32 -4.632 7.149 7.149 225 1HB LYS 32 1HB LYS 32 -5.934 9.190 9.190 226 2HB LYS 32 2HB LYS 32 -4.377 9.521 9.521 227 1HG LYS 32 1HG LYS 32 -4.393 10.841 10.841 228 2HG LYS 32 2HG LYS 32 -3.389 9.461 9.461 229 1HD LYS 32 1HD LYS 32 -5.377 8.440 8.440 230 2HD LYS 32 2HD LYS 32 -6.377 9.785 9.785 231 1HE LYS 32 2HE LYS 32 -5.801 10.216 10.216 232 2HE LYS 32 1HE LYS 32 -4.923 11.379 11.379 233 1HZ LYS 32 3HZ LYS 32 -3.749 8.874 8.874 234 2HZ LYS 32 1HZ LYS 32 -3.606 10.334 10.334 235 3HZ LYS 32 2HZ LYS 32 -2.962 10.133 10.133 236 H THR 33 H THR 33 -3.638 5.503 5.503 237 HA THR 33 HA THR 33 -1.114 6.558 6.558 238 HB THR 33 HB THR 33 -1.642 3.632 3.632 239 HG1 THR 33 HG1 THR 33 -3.198 3.773 3.773 240 1HG2 THR 33 2HG2 THR 33 0.297 4.564 4.564 241 2HG2 THR 33 1HG2 THR 33 -0.817 5.479 5.479 242 3HG2 THR 33 3HG2 THR 33 -0.818 3.703 3.703 243 H GLY 34 H GLY 34 -2.355 4.782 4.782 244 1HA GLY 34 1HA GLY 34 0.331 4.896 4.896 245 2HA GLY 34 2HA GLY 34 -0.851 3.609 3.609 246 HA PRO 35 HA PRO 35 -1.643 7.501 7.501 247 1HB PRO 35 2HB PRO 35 -1.246 6.239 6.239 248 2HB PRO 35 1HB PRO 35 -0.014 7.136 7.136 249 1HG PRO 35 1HG PRO 35 -0.556 4.158 4.158 250 2HG PRO 35 2HG PRO 35 1.009 4.959 4.959 251 1HD PRO 35 1HD PRO 35 0.532 4.172 4.172 252 2HD PRO 35 2HD PRO 35 1.053 5.842 5.842 253 H ASN 36 H ASN 36 -3.297 7.565 7.565 254 HA ASN 36 HA ASN 36 -5.594 5.846 5.846 255 1HB ASN 36 1HB ASN 36 -5.722 8.233 8.233 256 2HB ASN 36 2HB ASN 36 -5.531 8.588 8.588 257 1HD2 ASN 36 1HD2 ASN 36 -8.849 7.534 7.534 258 2HD2 ASN 36 2HD2 ASN 36 -7.221 7.623 7.623 259 H LEU 37 H LEU 37 -4.791 4.117 4.117 260 HA LEU 37 HA LEU 37 -4.031 3.723 3.723 261 1HB LEU 37 2HB LEU 37 -5.818 2.347 2.347 262 2HB LEU 37 1HB LEU 37 -5.580 1.552 1.552 263 HG LEU 37 HG LEU 37 -3.334 1.474 1.474 264 1HD1 LEU 37 1HD2 LEU 37 -3.163 3.189 3.189 265 2HD1 LEU 37 2HD2 LEU 37 -1.853 2.153 2.153 266 3HD1 LEU 37 3HD2 LEU 37 -2.446 3.467 3.467 267 1HD2 LEU 37 3HD1 LEU 37 -4.432 -0.279 -0.279 268 2HD2 LEU 37 2HD1 LEU 37 -2.923 0.125 0.125 269 3HD2 LEU 37 1HD1 LEU 37 -4.454 0.737 0.737 270 H TYR 38 H TYR 38 -6.863 5.442 5.442 271 HA TYR 38 HA TYR 38 -8.092 3.968 3.968 272 1HB TYR 38 2HB TYR 38 -9.393 5.537 5.537 273 2HB TYR 38 1HB TYR 38 -8.454 6.882 6.882 274 HD1 TYR 38 HD1 TYR 38 -8.828 7.707 7.707 275 HD2 TYR 38 HD2 TYR 38 -11.132 4.430 4.430 276 HE1 TYR 38 HE1 TYR 38 -10.122 7.589 7.589 277 HE2 TYR 38 HE2 TYR 38 -12.560 4.473 4.473 278 HH TYR 38 HH TYR 38 -11.705 6.236 6.236 279 H GLY 39 H GLY 39 -6.082 3.557 3.557 280 1HA GLY 39 1HA GLY 39 -5.647 4.257 4.257 281 2HA GLY 39 2HA GLY 39 -5.291 5.861 5.861 282 H VAL 40 H VAL 40 -4.074 2.917 2.917 283 HA VAL 40 HA VAL 40 -1.415 3.856 3.856 284 HB VAL 40 HB VAL 40 -2.317 0.974 0.974 285 1HG1 VAL 40 2HG2 VAL 40 0.291 2.407 2.407 286 2HG1 VAL 40 1HG2 VAL 40 -0.129 0.739 0.739 287 3HG1 VAL 40 3HG2 VAL 40 0.109 1.151 1.151 288 1HG2 VAL 40 3HG1 VAL 40 -1.854 3.310 3.310 289 2HG2 VAL 40 1HG1 VAL 40 -3.323 2.318 2.318 290 3HG2 VAL 40 2HG1 VAL 40 -1.863 1.609 1.609 291 H VAL 41 H VAL 41 -3.064 1.394 1.394 292 HA VAL 41 HA VAL 41 -0.734 0.539 0.539 293 HB VAL 41 HB VAL 41 -3.579 0.610 0.610 294 1HG1 VAL 41 1HG2 VAL 41 -1.119 -0.889 -0.889 295 2HG1 VAL 41 2HG2 VAL 41 -2.790 -1.198 -1.198 296 3HG1 VAL 41 3HG2 VAL 41 -2.032 0.355 0.355 297 1HG2 VAL 41 1HG1 VAL 41 -1.865 -1.540 -1.540 298 2HG2 VAL 41 3HG1 VAL 41 -3.236 -0.714 -0.714 299 3HG2 VAL 41 2HG1 VAL 41 -3.510 -1.780 -1.780 300 H GLY 42 H GLY 42 0.637 1.501 1.501 301 1HA GLY 42 1HA GLY 42 1.363 2.762 2.762 302 2HA GLY 42 2HA GLY 42 -0.149 3.680 3.680 303 H ARG 43 HN ARG 43 0.312 3.846 3.846 304 HA ARG 43 HA ARG 43 1.381 6.488 6.488 305 1HB ARG 43 1HB ARG 43 -0.289 5.464 5.464 306 2HB ARG 43 2HB ARG 43 1.136 4.796 4.796 307 1HG ARG 43 1HG ARG 43 0.663 6.795 6.795 308 2HG ARG 43 2HG ARG 43 2.010 7.221 7.221 309 1HD ARG 43 2HD ARG 43 0.287 8.129 8.129 310 2HD ARG 43 1HD ARG 43 -0.963 7.765 7.765 311 HE ARG 43 HE ARG 43 1.106 9.369 9.369 312 1HH1 ARG 43 2HH1 ARG 43 -1.486 9.600 9.600 313 2HH1 ARG 43 1HH1 ARG 43 -1.671 11.327 11.327 314 1HH2 ARG 43 2HH2 ARG 43 0.818 11.608 11.608 315 2HH2 ARG 43 1HH2 ARG 43 -0.296 12.503 12.503 316 H THR 44 H THR 44 3.395 7.284 7.284 317 HA THR 44 HA THR 44 5.662 5.474 5.474 318 HB THR 44 HB THR 44 5.472 8.476 8.476 319 HG1 THR 44 HG1 THR 44 4.649 7.310 7.310 320 1HG2 THR 44 1HG2 THR 44 7.829 6.678 6.678 321 2HG2 THR 44 3HG2 THR 44 7.811 8.438 8.438 322 3HG2 THR 44 2HG2 THR 44 7.697 7.775 7.775 323 H ALA 45 H ALA 45 5.343 4.152 4.152 324 HA ALA 45 HA ALA 45 5.492 3.510 3.510 325 1HB ALA 45 3HB ALA 45 7.847 4.252 4.252 326 2HB ALA 45 1HB ALA 45 7.574 5.675 5.675 327 3HB ALA 45 2HB ALA 45 7.542 4.051 4.051 328 H GLY 46 H GLY 46 6.454 5.364 5.364 329 1HA GLY 46 1HA GLY 46 3.958 6.254 6.254 330 2HA GLY 46 2HA GLY 46 5.581 6.526 6.526 331 H THR 47 H THR 47 3.401 7.601 7.601 332 HA THR 47 HA THR 47 4.129 10.448 10.448 333 HB THR 47 HB THR 47 3.780 10.831 10.831 334 HG1 THR 47 HG1 THR 47 4.425 8.093 8.093 335 1HG2 THR 47 2HG2 THR 47 6.181 9.166 9.166 336 2HG2 THR 47 1HG2 THR 47 6.075 10.171 10.171 337 3HG2 THR 47 3HG2 THR 47 6.006 10.923 10.923 338 H TYR 48 H TYR 48 1.636 8.388 8.388 339 HA TYR 48 HA TYR 48 -0.493 9.846 9.846 340 1HB TYR 48 1HB TYR 48 -0.515 7.424 7.424 341 2HB TYR 48 2HB TYR 48 -0.812 8.139 8.139 342 HD1 TYR 48 HD1 TYR 48 -2.934 9.420 9.420 343 HD2 TYR 48 HD2 TYR 48 -2.181 7.451 7.451 344 HE1 TYR 48 HE1 TYR 48 -5.297 9.767 9.767 345 HE2 TYR 48 HE2 TYR 48 -4.529 7.772 7.772 346 HH TYR 48 HH TYR 48 -6.644 8.204 8.204 347 HA PRO 49 HA PRO 49 -0.118 13.354 13.354 348 1HB PRO 49 1HB PRO 49 -2.685 14.441 14.441 349 2HB PRO 49 2HB PRO 49 -1.505 14.561 14.561 350 1HG PRO 49 2HG PRO 49 -3.712 12.509 12.509 351 2HG PRO 49 1HG PRO 49 -3.361 13.515 13.515 352 1HD PRO 49 1HD PRO 49 -2.449 11.007 11.007 353 2HD PRO 49 2HD PRO 49 -1.340 12.291 12.291 354 H GLU 50 HN GLU 50 -0.853 14.407 14.407 355 HA GLU 50 HA GLU 50 -1.187 14.429 14.429 356 1HB GLU 50 1HB GLU 50 -3.557 12.626 12.626 357 2HB GLU 50 2HB GLU 50 -3.320 13.558 13.558 358 1HG GLU 50 1HG GLU 50 -3.380 15.670 15.670 359 2HG GLU 50 2HG GLU 50 -3.654 14.742 14.742 360 H PHE 51 H PHE 51 0.919 12.835 12.835 361 HA PHE 51 HA PHE 51 0.748 11.128 11.128 362 1HB PHE 51 2HB PHE 51 -0.212 9.704 9.704 363 2HB PHE 51 1HB PHE 51 1.409 9.713 9.713 364 HD1 PHE 51 HD1 PHE 51 -0.629 8.912 8.912 365 HD2 PHE 51 HD2 PHE 51 3.226 8.493 8.493 366 HE1 PHE 51 HE1 PHE 51 0.167 7.600 7.600 367 HE2 PHE 51 HE2 PHE 51 3.937 6.950 6.950 368 HZ PHE 51 HZ PHE 51 2.374 6.457 6.457 369 H LYS 52 HN LYS 52 2.539 11.496 11.496 370 HA LYS 52 HA LYS 52 4.936 12.527 12.527 371 1HB LYS 52 2HB LYS 52 3.922 13.195 13.195 372 2HB LYS 52 1HB LYS 52 4.661 11.739 11.739 373 1HG LYS 52 1HG LYS 52 6.062 14.090 14.090 374 2HG LYS 52 2HG LYS 52 6.002 13.749 13.749 375 1HD LYS 52 1HD LYS 52 7.243 11.569 11.569 376 2HD LYS 52 2HD LYS 52 7.413 12.094 12.094 377 1HE LYS 52 2HE LYS 52 9.447 12.606 12.606 378 2HE LYS 52 1HE LYS 52 8.635 14.123 14.123 379 1HZ LYS 52 3HZ LYS 52 8.574 12.813 12.813 380 2HZ LYS 52 1HZ LYS 52 9.500 14.115 14.115 381 3HZ LYS 52 2HZ LYS 52 7.860 14.251 14.251 382 H TYR 53 H TYR 53 5.275 10.659 10.659 383 HA TYR 53 HA TYR 53 5.954 8.046 8.046 384 1HB TYR 53 1HB TYR 53 7.018 9.562 9.562 385 2HB TYR 53 2HB TYR 53 7.116 7.825 7.825 386 HD1 TYR 53 HD1 TYR 53 4.982 6.415 6.415 387 HD2 TYR 53 HD2 TYR 53 5.065 10.592 10.592 388 HE1 TYR 53 HE1 TYR 53 2.818 6.166 6.166 389 HE2 TYR 53 HE2 TYR 53 2.870 10.350 10.350 390 HH TYR 53 HH TYR 53 1.066 8.975 8.975 391 H LYS 54 HN LYS 54 8.153 7.035 7.035 392 HA LYS 54 HA LYS 54 10.204 8.852 8.852 393 1HB LYS 54 2HB LYS 54 10.588 5.906 5.906 394 2HB LYS 54 1HB LYS 54 11.247 7.077 7.077 395 1HG LYS 54 2HG LYS 54 8.847 7.401 7.401 396 2HG LYS 54 1HG LYS 54 8.435 5.928 5.928 397 1HD LYS 54 2HD LYS 54 10.447 6.281 6.281 398 2HD LYS 54 1HD LYS 54 8.964 5.321 5.321 399 1HE LYS 54 1HE LYS 54 11.523 4.726 4.726 400 2HE LYS 54 2HE LYS 54 10.896 3.842 3.842 401 1HZ LYS 54 1HZ LYS 54 9.532 4.061 4.061 402 2HZ LYS 54 3HZ LYS 54 10.407 2.763 2.763 403 3HZ LYS 54 2HZ LYS 54 9.024 3.200 3.200 404 H ASP 55 HN ASP 55 12.443 8.137 8.137 405 HA ASP 55 HA ASP 55 13.135 8.936 8.936 406 1HB ASP 55 1HB ASP 55 14.794 7.187 7.187 407 2HB ASP 55 2HB ASP 55 15.401 8.272 8.272 408 H SER 56 H SER 56 12.415 5.563 5.563 409 HA SER 56 HA SER 56 14.080 4.264 4.264 410 1HB SER 56 1HB SER 56 12.568 2.340 2.340 411 2HB SER 56 2HB SER 56 13.536 3.193 3.193 412 HG SER 56 HG SER 56 11.366 2.991 2.991 413 H ILE 57 H ILE 57 10.617 4.263 4.263 414 HA ILE 57 HA ILE 57 9.875 3.553 3.553 415 HB ILE 57 HB ILE 57 8.655 3.504 3.504 416 1HG1 ILE 57 2HG1 ILE 57 7.152 4.233 4.233 417 2HG1 ILE 57 1HG1 ILE 57 7.756 2.628 2.628 418 1HG2 ILE 57 3HG2 ILE 57 8.696 5.904 5.904 419 2HG2 ILE 57 1HG2 ILE 57 7.582 6.184 6.184 420 3HG2 ILE 57 2HG2 ILE 57 7.074 5.237 5.237 421 1HD1 ILE 57 2HD1 ILE 57 6.246 2.616 2.616 422 2HD1 ILE 57 1HD1 ILE 57 5.530 4.142 4.142 423 3HD1 ILE 57 3HD1 ILE 57 5.397 2.678 2.678 424 H VAL 58 H VAL 58 10.434 6.850 6.850 425 HA VAL 58 HA VAL 58 9.544 8.250 8.250 426 HB VAL 58 HB VAL 58 11.563 8.899 8.899 427 1HG1 VAL 58 1HG2 VAL 58 10.641 10.689 10.689 428 2HG1 VAL 58 2HG2 VAL 58 11.450 11.265 11.265 429 3HG1 VAL 58 3HG2 VAL 58 12.311 10.195 10.195 430 1HG2 VAL 58 1HG1 VAL 58 9.048 8.795 8.795 431 2HG2 VAL 58 3HG1 VAL 58 9.792 10.375 10.375 432 3HG2 VAL 58 2HG1 VAL 58 8.830 10.106 10.106 433 H ALA 59 H ALA 59 12.868 7.027 7.027 434 HA ALA 59 HA ALA 59 14.099 7.853 7.853 435 1HB ALA 59 2HB ALA 59 14.746 5.487 5.487 436 2HB ALA 59 3HB ALA 59 15.808 6.151 6.151 437 3HB ALA 59 1HB ALA 59 15.378 7.140 7.140 438 H LEU 60 H LEU 60 12.363 4.857 4.857 439 HA LEU 60 HA LEU 60 12.738 3.467 3.467 440 1HB LEU 60 1HB LEU 60 11.629 2.789 2.789 441 2HB LEU 60 2HB LEU 60 10.142 3.422 3.422 442 HG LEU 60 HG LEU 60 10.445 1.798 1.798 443 1HD1 LEU 60 3HD2 LEU 60 12.576 0.608 0.608 444 2HD1 LEU 60 2HD2 LEU 60 11.902 -0.162 -0.162 445 3HD1 LEU 60 1HD2 LEU 60 12.882 1.294 1.294 446 1HD2 LEU 60 2HD1 LEU 60 8.955 1.369 1.369 447 2HD2 LEU 60 1HD1 LEU 60 9.683 -0.133 -0.133 448 3HD2 LEU 60 3HD1 LEU 60 10.334 0.649 0.649 449 H GLY 61 H GLY 61 10.201 5.861 5.861 450 1HA GLY 61 1HA GLY 61 8.848 6.006 6.006 451 2HA GLY 61 2HA GLY 61 9.009 7.329 7.329 452 H ALA 62 H ALA 62 11.661 7.910 7.910 453 HA ALA 62 HA ALA 62 12.052 9.471 9.471 454 1HB ALA 62 2HB ALA 62 13.195 9.816 9.816 455 2HB ALA 62 3HB ALA 62 14.249 8.427 8.427 456 3HB ALA 62 1HB ALA 62 14.299 9.859 9.859 457 H SER 63 H SER 63 13.163 6.107 6.107 458 HA SER 63 HA SER 63 14.654 6.026 6.026 459 1HB SER 63 2HB SER 63 14.996 3.694 3.694 460 2HB SER 63 1HB SER 63 15.254 4.653 4.653 461 HG SER 63 HG SER 63 12.835 4.034 4.034 462 H GLY 64 H GLY 64 11.415 6.411 6.411 463 1HA GLY 64 1HA GLY 64 9.874 6.339 6.339 464 2HA GLY 64 2HA GLY 64 10.978 5.409 5.409 465 H PHE 65 H PHE 65 10.132 4.394 4.394 466 HA PHE 65 HA PHE 65 9.168 1.873 1.873 467 1HB PHE 65 2HB PHE 65 10.370 1.971 1.971 468 2HB PHE 65 1HB PHE 65 9.174 3.069 3.069 469 HD1 PHE 65 HD1 PHE 65 9.073 -0.298 -0.298 470 HD2 PHE 65 HD2 PHE 65 7.801 2.082 2.082 471 HE1 PHE 65 HE1 PHE 65 7.678 -2.158 -2.158 472 HE2 PHE 65 HE2 PHE 65 6.520 0.185 0.185 473 HZ PHE 65 HZ PHE 65 6.394 -1.918 -1.918 474 H ALA 66 H ALA 66 7.500 2.589 2.589 475 HA ALA 66 HA ALA 66 4.968 3.603 3.603 476 1HB ALA 66 1HB ALA 66 5.623 2.058 2.058 477 2HB ALA 66 2HB ALA 66 4.099 2.905 2.905 478 3HB ALA 66 3HB ALA 66 5.608 3.826 3.826 479 H TRP 67 H TRP 67 3.904 2.426 2.426 480 HA TRP 67 HA TRP 67 4.206 -0.272 -0.272 481 1HB TRP 67 2HB TRP 67 1.947 1.711 1.711 482 2HB TRP 67 1HB TRP 67 1.734 0.040 0.040 483 HD1 TRP 67 HD1 TRP 67 2.600 3.181 3.181 484 HE1 TRP 67 HE1 TRP 67 3.491 2.815 2.815 485 HE3 TRP 67 HE3 TRP 67 3.649 -1.826 -1.826 486 HZ2 TRP 67 HZ2 TRP 67 4.764 0.728 0.728 487 HZ3 TRP 67 HZ3 TRP 67 4.730 -2.962 -2.962 488 HH2 TRP 67 HH2 TRP 67 5.385 -1.664 -1.664 489 H THR 68 H THR 68 3.844 -2.058 -2.058 490 HA THR 68 HA THR 68 1.502 -2.093 -2.093 491 HB THR 68 HB THR 68 2.356 -4.195 -4.195 492 HG1 THR 68 HG1 THR 68 4.663 -4.051 -4.051 493 1HG2 THR 68 1HG2 THR 68 3.354 -2.162 -2.162 494 2HG2 THR 68 2HG2 THR 68 4.671 -2.226 -2.226 495 3HG2 THR 68 3HG2 THR 68 4.483 -3.534 -3.534 496 H GLU 69 HN GLU 69 -0.019 -3.958 -3.958 497 HA GLU 69 HA GLU 69 -0.903 -4.405 -4.405 498 1HB GLU 69 2HB GLU 69 -2.414 -6.015 -6.015 499 2HB GLU 69 1HB GLU 69 -2.260 -4.583 -4.583 500 1HG GLU 69 1HG GLU 69 -0.679 -5.852 -5.852 501 2HG GLU 69 2HG GLU 69 -0.994 -7.293 -7.293 502 H GLU 70 HN GLU 70 1.257 -6.169 -6.169 503 HA GLU 70 HA GLU 70 1.643 -8.564 -8.564 504 1HB GLU 70 2HB GLU 70 3.701 -7.073 -7.073 505 2HB GLU 70 1HB GLU 70 3.747 -8.773 -8.773 506 1HG GLU 70 1HG GLU 70 1.615 -7.489 -7.489 507 2HG GLU 70 2HG GLU 70 3.038 -8.377 -8.377 508 H ASP 71 HN ASP 71 3.566 -5.541 -5.541 509 HA ASP 71 HA ASP 71 5.337 -6.198 -6.198 510 1HB ASP 71 1HB ASP 71 4.379 -3.523 -3.523 511 2HB ASP 71 2HB ASP 71 5.590 -3.719 -3.719 512 H ILE 72 H ILE 72 2.203 -4.389 -4.389 513 HA ILE 72 HA ILE 72 2.226 -3.856 -3.856 514 HB ILE 72 HB ILE 72 -0.085 -4.429 -4.429 515 1HG1 ILE 72 2HG1 ILE 72 0.878 -1.802 -1.802 516 2HG1 ILE 72 1HG1 ILE 72 1.322 -2.360 -2.360 517 1HG2 ILE 72 3HG2 ILE 72 -0.192 -3.425 -3.425 518 2HG2 ILE 72 2HG2 ILE 72 -1.563 -3.439 -3.439 519 3HG2 ILE 72 1HG2 ILE 72 -0.863 -4.955 -4.955 520 1HD1 ILE 72 2HD1 ILE 72 -1.193 -2.527 -2.527 521 2HD1 ILE 72 1HD1 ILE 72 -1.430 -1.541 -1.541 522 3HD1 ILE 72 3HD1 ILE 72 -0.479 -0.912 -0.912 523 H ALA 73 H ALA 73 0.856 -6.696 -6.696 524 HA ALA 73 HA ALA 73 0.013 -8.174 -8.174 525 1HB ALA 73 3HB ALA 73 -0.450 -8.775 -8.775 526 2HB ALA 73 2HB ALA 73 1.238 -9.260 -9.260 527 3HB ALA 73 1HB ALA 73 0.206 -10.144 -10.144 528 H THR 74 H THR 74 3.239 -8.198 -8.198 529 HA THR 74 HA THR 74 4.412 -10.124 -10.124 530 HB THR 74 HB THR 74 5.845 -7.841 -7.841 531 HG1 THR 74 HG1 THR 74 4.527 -8.936 -8.936 532 1HG2 THR 74 2HG2 THR 74 7.238 -9.236 -9.236 533 2HG2 THR 74 1HG2 THR 74 6.711 -10.687 -10.687 534 3HG2 THR 74 3HG2 THR 74 7.692 -9.464 -9.464 535 H TYR 75 H TYR 75 4.555 -6.525 -6.525 536 HA TYR 75 HA TYR 75 6.064 -6.256 -6.256 537 1HB TYR 75 2HB TYR 75 5.729 -4.373 -4.373 538 2HB TYR 75 1HB TYR 75 3.990 -4.527 -4.527 539 HD1 TYR 75 HD1 TYR 75 6.845 -3.890 -3.890 540 HD2 TYR 75 HD2 TYR 75 2.657 -3.296 -3.296 541 HE1 TYR 75 HE1 TYR 75 6.714 -2.263 -2.263 542 HE2 TYR 75 HE2 TYR 75 2.537 -1.692 -1.692 543 HH TYR 75 HH TYR 75 3.663 -0.751 -0.751 544 H VAL 76 H VAL 76 2.500 -6.584 -6.584 545 HA VAL 76 HA VAL 76 1.871 -6.366 -6.366 546 HB VAL 76 HB VAL 76 0.559 -7.696 -7.696 547 1HG1 VAL 76 3HG2 VAL 76 -0.567 -7.523 -7.523 548 2HG1 VAL 76 2HG2 VAL 76 -1.537 -7.812 -7.812 549 3HG1 VAL 76 1HG2 VAL 76 -0.307 -8.987 -8.987 550 1HG2 VAL 76 2HG1 VAL 76 0.720 -5.160 -5.160 551 2HG2 VAL 76 1HG1 VAL 76 -0.931 -5.791 -5.791 552 3HG2 VAL 76 3HG1 VAL 76 -0.236 -5.272 -5.272 553 H LYS 77 HN LYS 77 3.542 -8.992 -8.992 554 HA LYS 77 HA LYS 77 3.094 -10.803 -10.803 555 1HB LYS 77 2HB LYS 77 4.328 -11.321 -11.321 556 2HB LYS 77 1HB LYS 77 4.051 -12.507 -12.507 557 1HG LYS 77 1HG LYS 77 1.601 -11.998 -11.998 558 2HG LYS 77 2HG LYS 77 1.880 -10.968 -10.968 559 1HD LYS 77 1HD LYS 77 2.725 -13.903 -13.903 560 2HD LYS 77 2HD LYS 77 1.148 -13.373 -13.373 561 1HE LYS 77 1HE LYS 77 3.769 -12.411 -12.411 562 2HE LYS 77 2HE LYS 77 2.863 -13.819 -13.819 563 1HZ LYS 77 2HZ LYS 77 0.981 -12.420 -12.420 564 2HZ LYS 77 3HZ LYS 77 1.817 -11.092 -11.092 565 3HZ LYS 77 1HZ LYS 77 2.297 -11.886 -11.886 566 H ASP 78 HN ASP 78 5.344 -8.487 -8.487 567 HA ASP 78 HA ASP 78 7.543 -9.562 -9.562 568 1HB ASP 78 2HB ASP 78 7.977 -8.703 -8.703 569 2HB ASP 78 1HB ASP 78 9.170 -9.346 -9.346 570 HA PRO 79 HA PRO 79 6.767 -4.868 -4.868 571 1HB PRO 79 1HB PRO 79 6.614 -4.634 -4.634 572 2HB PRO 79 2HB PRO 79 5.212 -4.835 -4.835 573 1HG PRO 79 1HG PRO 79 6.748 -6.975 -6.975 574 2HG PRO 79 2HG PRO 79 4.978 -6.749 -6.749 575 1HD PRO 79 2HD PRO 79 6.172 -8.564 -8.564 576 2HD PRO 79 1HD PRO 79 4.922 -7.492 -7.492 577 H GLY 80 H GLY 80 8.520 -3.553 -3.553 578 1HA GLY 80 1HA GLY 80 10.630 -2.818 -2.818 579 2HA GLY 80 2HA GLY 80 10.732 -4.060 -4.060 580 H ALA 81 H ALA 81 10.675 -6.433 -6.433 581 HA ALA 81 HA ALA 81 13.272 -6.736 -6.736 582 1HB ALA 81 3HB ALA 81 10.816 -8.517 -8.517 583 2HB ALA 81 1HB ALA 81 12.463 -9.007 -9.007 584 3HB ALA 81 2HB ALA 81 12.092 -8.586 -8.586 585 H PHE 82 H PHE 82 10.080 -6.455 -6.455 586 HA PHE 82 HA PHE 82 10.713 -6.665 -6.665 587 1HB PHE 82 1HB PHE 82 8.474 -6.399 -6.399 588 2HB PHE 82 2HB PHE 82 8.833 -4.761 -4.761 589 HD1 PHE 82 HD2 PHE 82 8.038 -6.963 -6.963 590 HD2 PHE 82 HD1 PHE 82 8.909 -2.908 -2.908 591 HE1 PHE 82 HE2 PHE 82 7.471 -6.155 -6.155 592 HE2 PHE 82 HE1 PHE 82 8.516 -2.149 -2.149 593 HZ PHE 82 HZ PHE 82 7.892 -3.786 -3.786 594 H LEU 83 H LEU 83 10.717 -3.579 -3.579 595 HA LEU 83 HA LEU 83 11.677 -1.891 -1.891 596 1HB LEU 83 2HB LEU 83 11.758 -1.788 -1.788 597 2HB LEU 83 1HB LEU 83 12.361 -0.539 -0.539 598 HG LEU 83 HG LEU 83 9.867 -0.737 -0.737 599 1HD1 LEU 83 2HD2 LEU 83 9.596 -1.386 -1.386 600 2HD1 LEU 83 1HD2 LEU 83 8.281 -0.870 -0.870 601 3HD1 LEU 83 3HD2 LEU 83 9.088 -2.428 -2.428 602 1HD2 LEU 83 1HD1 LEU 83 10.701 0.810 0.810 603 2HD2 LEU 83 2HD1 LEU 83 11.009 1.332 1.332 604 3HD2 LEU 83 3HD1 LEU 83 9.347 1.239 1.239 605 H LYS 84 HN LYS 84 13.288 -3.643 -3.643 606 HA LYS 84 HA LYS 84 15.884 -2.534 -2.534 607 1HB LYS 84 1HB LYS 84 15.659 -3.244 -3.244 608 2HB LYS 84 2HB LYS 84 14.719 -4.683 -4.683 609 1HG LYS 84 1HG LYS 84 17.633 -4.458 -4.458 610 2HG LYS 84 2HG LYS 84 17.147 -4.867 -4.867 611 1HD LYS 84 1HD LYS 84 16.098 -6.860 -6.860 612 2HD LYS 84 2HD LYS 84 15.792 -6.383 -6.383 613 1HE LYS 84 1HE LYS 84 18.245 -6.520 -6.520 614 2HE LYS 84 2HE LYS 84 18.537 -7.093 -7.093 615 1HZ LYS 84 1HZ LYS 84 16.868 -8.421 -8.421 616 2HZ LYS 84 2HZ LYS 84 18.382 -8.882 -8.882 617 3HZ LYS 84 3HZ LYS 84 17.134 -8.971 -8.971 618 H GLU 85 HN GLU 85 14.244 -5.370 -5.370 619 HA GLU 85 HA GLU 85 16.531 -6.318 -6.318 620 1HB GLU 85 1HB GLU 85 14.704 -7.754 -7.754 621 2HB GLU 85 2HB GLU 85 13.532 -6.822 -6.822 622 1HG GLU 85 1HG GLU 85 15.925 -8.095 -8.095 623 2HG GLU 85 2HG GLU 85 14.509 -9.061 -9.061 624 H LYS 86 HN LYS 86 13.523 -4.604 -4.604 625 HA LYS 86 HA LYS 86 14.365 -4.208 -4.208 626 1HB LYS 86 2HB LYS 86 12.502 -2.655 -2.655 627 2HB LYS 86 1HB LYS 86 12.652 -2.284 -2.284 628 1HG LYS 86 2HG LYS 86 12.189 -5.164 -5.164 629 2HG LYS 86 1HG LYS 86 10.850 -4.042 -4.042 630 1HD LYS 86 1HD LYS 86 10.922 -3.563 -3.563 631 2HD LYS 86 2HD LYS 86 12.571 -4.185 -4.185 632 1HE LYS 86 1HE LYS 86 11.005 -5.750 -5.750 633 2HE LYS 86 2HE LYS 86 11.814 -6.482 -6.482 634 1HZ LYS 86 1HZ LYS 86 9.843 -5.956 -5.956 635 2HZ LYS 86 2HZ LYS 86 9.083 -5.387 -5.387 636 3HZ LYS 86 3HZ LYS 86 9.518 -6.969 -6.969 637 H LEU 87 H LEU 87 14.964 -1.991 -1.991 638 HA LEU 87 HA LEU 87 16.434 -0.172 -0.172 639 1HB LEU 87 2HB LEU 87 14.819 0.570 0.570 640 2HB LEU 87 1HB LEU 87 15.924 -0.041 -0.041 641 HG LEU 87 HG LEU 87 17.583 1.642 1.642 642 1HD1 LEU 87 2HD2 LEU 87 15.629 2.443 2.443 643 2HD1 LEU 87 1HD2 LEU 87 16.993 3.441 3.441 644 3HD1 LEU 87 3HD2 LEU 87 17.304 1.876 1.876 645 1HD2 LEU 87 3HD1 LEU 87 15.747 2.244 2.244 646 2HD2 LEU 87 1HD1 LEU 87 16.358 3.639 3.639 647 3HD2 LEU 87 2HD1 LEU 87 14.813 2.891 2.891 648 H ASP 88 HN ASP 88 17.251 -3.078 -3.078 649 HA ASP 88 HA ASP 88 19.058 -4.046 -4.046 650 1HB ASP 88 1HB ASP 88 19.664 -3.718 -3.718 651 2HB ASP 88 2HB ASP 88 20.449 -2.184 -2.184 652 H ASP 89 HN ASP 89 18.201 -2.404 -2.404 653 HA ASP 89 HA ASP 89 20.636 -1.211 -1.211 654 1HB ASP 89 1HB ASP 89 19.492 0.614 0.614 655 2HB ASP 89 2HB ASP 89 17.944 0.142 0.142 656 H LYS 90 HN LYS 90 20.919 -2.217 -2.217 657 HA LYS 90 HA LYS 90 19.199 -3.915 -3.915 658 1HB LYS 90 2HB LYS 90 21.658 -3.792 -3.792 659 2HB LYS 90 1HB LYS 90 21.501 -2.240 -2.240 660 1HG LYS 90 2HG LYS 90 20.230 -3.354 -3.354 661 2HG LYS 90 1HG LYS 90 20.315 -4.892 -4.892 662 1HD LYS 90 2HD LYS 90 22.788 -4.875 -4.875 663 2HD LYS 90 1HD LYS 90 22.734 -3.281 -3.281 664 1HE LYS 90 2HE LYS 90 23.063 -5.001 -5.001 665 2HE LYS 90 1HE LYS 90 21.489 -4.223 -4.223 666 1HZ LYS 90 1HZ LYS 90 21.945 -6.805 -6.805 667 2HZ LYS 90 3HZ LYS 90 21.376 -6.599 -6.599 668 3HZ LYS 90 2HZ LYS 90 20.477 -6.096 -6.096 669 H LYS 91 HN LYS 91 19.572 -0.364 -0.364 670 HA LYS 91 HA LYS 91 17.867 -0.267 -0.267 671 1HB LYS 91 1HB LYS 91 19.345 1.927 1.927 672 2HB LYS 91 2HB LYS 91 18.491 2.125 2.125 673 1HG LYS 91 2HG LYS 91 20.057 0.623 0.623 674 2HG LYS 91 1HG LYS 91 20.861 0.240 0.240 675 1HD LYS 91 1HD LYS 91 22.206 1.823 1.823 676 2HD LYS 91 2HD LYS 91 21.595 2.565 2.565 677 1HE LYS 91 2HE LYS 91 19.881 3.796 3.796 678 2HE LYS 91 1HE LYS 91 20.360 2.961 2.961 679 1HZ LYS 91 3HZ LYS 91 22.047 4.766 4.766 680 2HZ LYS 91 2HZ LYS 91 21.302 5.136 5.136 681 3HZ LYS 91 1HZ LYS 91 22.499 4.004 4.004 682 H ALA 92 H ALA 92 17.022 -0.664 -0.664 683 HA ALA 92 HA ALA 92 15.029 1.566 1.566 684 1HB ALA 92 2HB ALA 92 15.568 -0.542 -0.542 685 2HB ALA 92 1HB ALA 92 14.355 0.743 0.743 686 3HB ALA 92 3HB ALA 92 16.076 1.152 1.152 687 H LYS 93 HN LYS 93 13.863 1.022 1.022 688 HA LYS 93 HA LYS 93 12.249 -1.497 -1.497 689 1HB LYS 93 2HB LYS 93 13.033 0.127 0.127 690 2HB LYS 93 1HB LYS 93 12.182 -1.428 -1.428 691 1HG LYS 93 2HG LYS 93 14.252 -2.403 -2.403 692 2HG LYS 93 1HG LYS 93 15.074 -0.868 -0.868 693 1HD LYS 93 1HD LYS 93 14.466 -1.182 -1.182 694 2HD LYS 93 2HD LYS 93 13.890 -2.805 -2.805 695 1HE LYS 93 2HE LYS 93 16.737 -1.727 -1.727 696 2HE LYS 93 1HE LYS 93 16.166 -2.913 -2.913 697 1HZ LYS 93 3HZ LYS 93 15.616 -4.343 -4.343 698 2HZ LYS 93 2HZ LYS 93 16.374 -3.256 -3.256 699 3HZ LYS 93 1HZ LYS 93 17.226 -4.030 -4.030 700 H THR 94 H THR 94 10.039 -1.308 -1.308 701 HA THR 94 HA THR 94 8.804 1.321 1.321 702 HB THR 94 HB THR 94 7.991 -0.571 -0.571 703 HG1 THR 94 HG1 THR 94 5.836 -0.239 -0.239 704 1HG2 THR 94 1HG2 THR 94 8.423 -2.394 -2.394 705 2HG2 THR 94 2HG2 THR 94 7.011 -1.808 -1.808 706 3HG2 THR 94 3HG2 THR 94 6.833 -2.463 -2.463 707 H GLY 95 H GLY 95 7.145 2.122 2.122 708 1HA GLY 95 1HA GLY 95 7.410 1.670 1.670 709 2HA GLY 95 2HA GLY 95 6.200 2.667 2.667 710 H MET 96 H MET 96 5.604 0.201 0.201 711 HA MET 96 HA MET 96 3.346 -0.707 -0.707 712 1HB MET 96 1HB MET 96 3.725 -0.481 -0.481 713 2HB MET 96 2HB MET 96 4.737 -1.911 -1.911 714 1HG MET 96 1HG MET 96 3.000 -3.338 -3.338 715 2HG MET 96 2HG MET 96 1.976 -2.093 -2.093 716 1HE MET 96 1HE MET 96 2.701 -4.300 -4.300 717 2HE MET 96 3HE MET 96 1.028 -4.419 -4.419 718 3HE MET 96 2HE MET 96 1.339 -3.849 -3.849 719 H ALA 97 H ALA 97 4.368 -1.432 -1.432 720 HA ALA 97 HA ALA 97 5.698 -4.016 -4.016 721 1HB ALA 97 3HB ALA 97 5.997 -2.331 -2.331 722 2HB ALA 97 2HB ALA 97 4.277 -2.453 -2.453 723 3HB ALA 97 1HB ALA 97 5.355 -3.847 -3.847 724 H PHE 98 H PHE 98 3.804 -4.637 -4.637 725 HA PHE 98 HA PHE 98 2.108 -6.582 -6.582 726 1HB PHE 98 2HB PHE 98 0.683 -4.639 -4.639 727 2HB PHE 98 1HB PHE 98 0.931 -4.068 -4.068 728 HD1 PHE 98 HD1 PHE 98 -0.139 -5.186 -5.186 729 HD2 PHE 98 HD2 PHE 98 -0.924 -6.464 -6.464 730 HE1 PHE 98 HE1 PHE 98 -1.992 -6.613 -6.613 731 HE2 PHE 98 HE2 PHE 98 -2.840 -7.814 -7.814 732 HZ PHE 98 HZ PHE 98 -3.371 -7.903 -7.903 733 H LYS 99 HN LYS 99 1.449 -8.163 -8.163 734 HA LYS 99 HA LYS 99 1.595 -7.589 -7.589 735 1HB LYS 99 2HB LYS 99 2.636 -9.893 -9.893 736 2HB LYS 99 1HB LYS 99 3.715 -8.541 -8.541 737 1HG LYS 99 2HG LYS 99 3.965 -9.216 -9.216 738 2HG LYS 99 1HG LYS 99 2.774 -10.521 -10.521 739 1HD LYS 99 1HD LYS 99 5.231 -10.327 -10.327 740 2HD LYS 99 2HD LYS 99 5.345 -11.080 -11.080 741 1HE LYS 99 2HE LYS 99 3.676 -12.760 -12.760 742 2HE LYS 99 1HE LYS 99 3.381 -11.968 -11.968 743 1HZ LYS 99 1HZ LYS 99 5.943 -13.125 -13.125 744 2HZ LYS 99 2HZ LYS 99 4.857 -13.800 -13.800 745 3HZ LYS 99 3HZ LYS 99 5.606 -12.390 -12.390 746 H LEU 100 H LEU 100 0.670 -9.799 -9.799 747 HA LEU 100 HA LEU 100 -1.778 -10.421 -10.421 748 1HB LEU 100 1HB LEU 100 -2.127 -9.348 -9.348 749 2HB LEU 100 2HB LEU 100 -1.105 -10.598 -10.598 750 HG LEU 100 HG LEU 100 -2.708 -12.351 -12.351 751 1HD1 LEU 100 1HD1 LEU 100 -4.228 -10.047 -10.047 752 2HD1 LEU 100 2HD1 LEU 100 -4.999 -11.598 -11.598 753 3HD1 LEU 100 3HD1 LEU 100 -3.731 -11.528 -11.528 754 1HD2 LEU 100 1HD2 LEU 100 -2.963 -11.089 -11.089 755 2HD2 LEU 100 3HD2 LEU 100 -4.500 -11.724 -11.724 756 3HD2 LEU 100 2HD2 LEU 100 -4.103 -9.992 -9.992 757 H ALA 101 H ALA 101 -2.290 -12.717 -12.717 758 HA ALA 101 HA ALA 101 0.109 -14.353 -14.353 759 1HB ALA 101 2HB ALA 101 -1.772 -14.316 -14.316 760 2HB ALA 101 1HB ALA 101 -2.862 -14.822 -14.822 761 3HB ALA 101 3HB ALA 101 -1.565 -15.934 -15.934 762 H LYS 102 HN LYS 102 0.237 -13.442 -13.442 763 HA LYS 102 HA LYS 102 0.929 -14.135 -14.135 764 1HB LYS 102 1HB LYS 102 -0.241 -16.901 -16.901 765 2HB LYS 102 2HB LYS 102 0.994 -16.409 -16.409 766 1HG LYS 102 1HG LYS 102 1.310 -16.559 -16.559 767 2HG LYS 102 2HG LYS 102 2.011 -17.625 -17.625 768 1HD LYS 102 1HD LYS 102 3.291 -15.688 -15.688 769 2HD LYS 102 2HD LYS 102 2.683 -14.659 -14.659 770 1HE LYS 102 2HE LYS 102 4.376 -17.175 -17.175 771 2HE LYS 102 1HE LYS 102 4.950 -15.505 -15.505 772 1HZ LYS 102 2HZ LYS 102 3.425 -15.200 -15.200 773 2HZ LYS 102 1HZ LYS 102 2.960 -16.778 -16.778 774 3HZ LYS 102 3HZ LYS 102 4.512 -16.404 -16.404 775 H GLY 103 H GLY 103 -0.248 -15.483 -15.483 776 1HA GLY 103 1HA GLY 103 -1.976 -15.340 -15.340 777 2HA GLY 103 2HA GLY 103 -3.011 -14.550 -14.550 778 H GLY 104 H GLY 104 -2.270 -12.357 -12.357 779 1HA GLY 104 1HA GLY 104 -1.908 -10.123 -10.123 780 2HA GLY 104 2HA GLY 104 -0.589 -10.662 -10.662 781 H GLU 105 HN GLU 105 -1.736 -11.896 -11.896 782 HA GLU 105 HA GLU 105 -2.454 -10.026 -10.026 783 1HB GLU 105 1HB GLU 105 -3.271 -11.854 -11.854 784 2HB GLU 105 2HB GLU 105 -1.741 -12.239 -12.239 785 1HG GLU 105 2HG GLU 105 -2.948 -13.634 -13.634 786 2HG GLU 105 1HG GLU 105 -4.490 -13.237 -13.237 787 H ASP 106 HN ASP 106 -4.723 -11.607 -11.607 788 HA ASP 106 HA ASP 106 -7.145 -10.898 -10.898 789 1HB ASP 106 2HB ASP 106 -8.194 -11.381 -11.381 790 2HB ASP 106 1HB ASP 106 -7.088 -12.664 -12.664 791 H VAL 107 H VAL 107 -5.164 -9.293 -9.293 792 HA VAL 107 HA VAL 107 -7.043 -7.097 -7.097 793 HB VAL 107 HB VAL 107 -4.169 -7.050 -7.050 794 1HG1 VAL 107 1HG1 VAL 107 -6.823 -5.818 -5.818 795 2HG1 VAL 107 3HG1 VAL 107 -5.289 -5.621 -5.621 796 3HG1 VAL 107 2HG1 VAL 107 -5.490 -4.947 -4.947 797 1HG2 VAL 107 2HG2 VAL 107 -6.521 -8.393 -8.393 798 2HG2 VAL 107 3HG2 VAL 107 -4.981 -9.146 -9.146 799 3HG2 VAL 107 1HG2 VAL 107 -5.003 -7.939 -7.939 800 H ALA 108 H ALA 108 -3.945 -7.762 -7.762 801 HA ALA 108 HA ALA 108 -3.563 -5.156 -5.156 802 1HB ALA 108 1HB ALA 108 -1.862 -6.942 -6.942 803 2HB ALA 108 3HB ALA 108 -2.838 -7.807 -7.807 804 3HB ALA 108 2HB ALA 108 -2.169 -6.209 -6.209 805 H ALA 109 H ALA 109 -5.447 -7.932 -7.932 806 HA ALA 109 HA ALA 109 -6.309 -6.679 -6.679 807 1HB ALA 109 1HB ALA 109 -6.447 -9.089 -9.089 808 2HB ALA 109 3HB ALA 109 -7.661 -8.848 -8.848 809 3HB ALA 109 2HB ALA 109 -8.040 -8.428 -8.428 810 H TYR 110 H TYR 110 -7.783 -6.846 -6.846 811 HA TYR 110 HA TYR 110 -10.104 -5.339 -5.339 812 1HB TYR 110 1HB TYR 110 -9.914 -6.469 -6.469 813 2HB TYR 110 2HB TYR 110 -8.469 -5.574 -5.574 814 HD1 TYR 110 HD2 TYR 110 -12.007 -4.815 -4.815 815 HD2 TYR 110 HD1 TYR 110 -8.731 -3.850 -3.850 816 HE1 TYR 110 HE2 TYR 110 -13.362 -3.015 -3.015 817 HE2 TYR 110 HE1 TYR 110 -10.105 -2.090 -2.090 818 HH TYR 110 HH TYR 110 -12.147 -1.042 -1.042 819 H LEU 111 H LEU 111 -6.853 -4.132 -4.132 820 HA LEU 111 HA LEU 111 -7.526 -1.424 -1.424 821 1HB LEU 111 2HB LEU 111 -4.956 -3.028 -3.028 822 2HB LEU 111 1HB LEU 111 -4.956 -1.279 -1.279 823 HG LEU 111 HG LEU 111 -6.276 -2.815 -2.815 824 1HD1 LEU 111 3HD1 LEU 111 -3.443 -1.704 -1.704 825 2HD1 LEU 111 2HD1 LEU 111 -4.243 -2.340 -2.340 826 3HD1 LEU 111 1HD1 LEU 111 -3.903 -3.423 -3.423 827 1HD2 LEU 111 3HD2 LEU 111 -5.296 0.066 0.066 828 2HD2 LEU 111 2HD2 LEU 111 -6.996 -0.440 -0.440 829 3HD2 LEU 111 1HD2 LEU 111 -5.955 -0.675 -0.675 830 H ALA 112 H ALA 112 -6.124 -3.536 -3.536 831 HA ALA 112 HA ALA 112 -5.885 -1.562 -1.562 832 1HB ALA 112 1HB ALA 112 -5.005 -3.872 -3.872 833 2HB ALA 112 2HB ALA 112 -6.663 -4.485 -4.485 834 3HB ALA 112 3HB ALA 112 -5.985 -3.400 -3.400 835 H SER 113 H SER 113 -8.729 -3.542 -3.542 836 HA SER 113 HA SER 113 -10.505 -2.496 -2.496 837 1HB SER 113 1HB SER 113 -11.281 -3.475 -3.475 838 2HB SER 113 2HB SER 113 -12.278 -3.415 -3.415 839 HG SER 113 HG SER 113 -9.931 -5.005 -5.005 840 H VAL 114 H VAL 114 -9.653 -1.374 -1.374 841 HA VAL 114 HA VAL 114 -11.578 0.774 0.774 842 HB VAL 114 HB VAL 114 -9.048 0.187 0.187 843 1HG1 VAL 114 2HG1 VAL 114 -11.144 2.317 2.317 844 2HG1 VAL 114 1HG1 VAL 114 -9.884 1.826 1.826 845 3HG1 VAL 114 3HG1 VAL 114 -9.422 2.598 2.598 846 1HG2 VAL 114 1HG2 VAL 114 -11.031 -1.383 -1.383 847 2HG2 VAL 114 3HG2 VAL 114 -10.604 -0.481 -0.481 848 3HG2 VAL 114 2HG2 VAL 114 -11.998 0.015 0.015 849 H VAL 115 H VAL 115 -8.293 0.515 0.515 850 HA VAL 115 HA VAL 115 -7.869 3.349 3.349 851 HB VAL 115 HB VAL 115 -6.607 1.047 1.047 852 1HG1 VAL 115 2HG1 VAL 115 -5.739 3.953 3.953 853 2HG1 VAL 115 1HG1 VAL 115 -4.777 2.661 2.661 854 3HG1 VAL 115 3HG1 VAL 115 -6.282 3.179 3.179 855 1HG2 VAL 115 3HG2 VAL 115 -6.298 1.913 1.913 856 2HG2 VAL 115 2HG2 VAL 115 -5.496 0.592 0.592 857 3HG2 VAL 115 1HG2 VAL 115 -4.806 2.213 2.213 858 H LYS 116 HN LYS 116 -9.780 4.161 4.161 859 HA LYS 116 HA LYS 116 -10.127 4.307 4.307 860 1HB LYS 116 1HB LYS 116 -12.638 3.935 3.935 861 2HB LYS 116 2HB LYS 116 -11.640 2.484 2.484 862 1HG LYS 116 2HG LYS 116 -11.942 2.082 2.082 863 2HG LYS 116 1HG LYS 116 -12.153 3.777 3.777 864 1HD LYS 116 1HD LYS 116 -14.244 2.409 2.409 865 2HD LYS 116 2HD LYS 116 -14.221 2.128 2.128 866 1HE LYS 116 1HE LYS 116 -14.165 4.958 4.958 867 2HE LYS 116 2HE LYS 116 -15.688 4.089 4.089 868 1HZ LYS 116 3HZ LYS 116 -14.993 3.841 3.841 869 2HZ LYS 116 2HZ LYS 116 -13.646 4.752 4.752 870 3HZ LYS 116 1HZ LYS 116 -15.137 5.421 5.421 871 HHA HEC 117 HHA HEM 117 2.721 2.492 2.492 872 HHB HEC 117 HHB HEM 117 -1.201 -1.917 -1.917 873 HHC HEC 117 HHC HEM 117 -2.621 -3.875 -3.875 874 HHD HEC 117 HHD HEM 117 1.127 0.706 0.706 875 1HMA HEC 117 1HMA HEM 117 0.686 -1.511 -1.511 876 2HMA HEC 117 2HMA HEM 117 -0.537 -0.233 -0.233 877 3HMA HEC 117 3HMA HEM 117 1.185 0.091 0.091 878 1HAA HEC 117 1HAA HEM 117 2.689 1.624 1.624 879 2HAA HEC 117 2HAA HEM 117 2.671 2.737 2.737 880 1HBA HEC 117 1HBA HEM 117 0.296 3.367 3.367 881 2HBA HEC 117 2HBA HEM 117 0.528 2.416 2.416 882 1HMB HEC 117 1HMB HEM 117 -2.559 -3.517 -3.517 883 2HMB HEC 117 2HMB HEM 117 -4.117 -3.620 -3.620 884 3HMB HEC 117 3HMB HEM 117 -2.982 -4.994 -4.994 885 HAB HEC 117 HAB HEM 117 -3.869 -4.935 -4.935 886 1HBB HEC 117 1HBB HEM 117 -3.841 -6.339 -6.339 887 2HBB HEC 117 2HBB HEM 117 -4.260 -6.951 -6.951 888 3HBB HEC 117 3HBB HEM 117 -2.570 -6.555 -6.555 889 1HMC HEC 117 1HMC HEM 117 -2.124 -3.389 -3.389 890 2HMC HEC 117 2HMC HEM 117 -2.772 -4.058 -4.058 891 3HMC HEC 117 3HMC HEM 117 -3.493 -2.590 -2.590 892 HAC HEC 117 HAC HEM 117 -1.620 -1.314 -1.314 893 1HBC HEC 117 1HBC HEM 117 0.317 -0.731 -0.731 894 2HBC HEC 117 2HBC HEM 117 0.727 -2.075 -2.075 895 3HBC HEC 117 3HBC HEM 117 1.286 -0.431 -0.431 896 1HMD HEC 117 1HMD HEM 117 2.047 3.312 3.312 897 2HMD HEC 117 2HMD HEM 117 3.078 1.891 1.891 898 3HMD HEC 117 3HMD HEM 117 3.727 3.301 3.301 899 1HAD HEC 117 1HAD HEM 117 3.389 4.105 4.105 900 2HAD HEC 117 2HAD HEM 117 3.679 4.346 4.346 901 1HBD HEC 117 1HBD HEM 117 5.265 2.334 2.334 902 2HBD HEC 117 2HBD HEM 117 5.214 2.531 2.531 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -7.133 -13.314 -13.314 2 2H GLY 1 2H GLY 1 -5.662 -12.495 -12.495 3 1HA GLY 1 1HA GLY 1 -6.646 -12.008 -12.008 4 2HA GLY 1 2HA GLY 1 -6.572 -10.591 -10.591 5 H ASP 2 HN ASP 2 -8.565 -12.467 -12.467 6 HA ASP 2 HA ASP 2 -11.105 -12.011 -12.011 7 1HB ASP 2 1HB ASP 2 -10.688 -14.111 -14.111 8 2HB ASP 2 2HB ASP 2 -10.540 -13.205 -13.205 9 H ALA 3 H ALA 3 -11.090 -9.746 -9.746 10 HA ALA 3 HA ALA 3 -10.631 -7.856 -7.856 11 1HB ALA 3 3HB ALA 3 -12.949 -7.897 -7.897 12 2HB ALA 3 1HB ALA 3 -12.323 -6.451 -6.451 13 3HB ALA 3 2HB ALA 3 -11.291 -7.339 -7.339 14 H ALA 4 H ALA 4 -13.609 -9.862 -9.862 15 HA ALA 4 HA ALA 4 -15.056 -8.361 -8.361 16 1HB ALA 4 1HB ALA 4 -16.152 -9.961 -9.961 17 2HB ALA 4 3HB ALA 4 -15.333 -11.313 -11.313 18 3HB ALA 4 2HB ALA 4 -16.491 -10.316 -10.316 19 H LYS 5 HN LYS 5 -12.961 -11.298 -11.298 20 HA LYS 5 HA LYS 5 -13.088 -11.422 -11.422 21 1HB LYS 5 1HB LYS 5 -10.985 -12.420 -12.420 22 2HB LYS 5 2HB LYS 5 -10.977 -12.748 -12.748 23 1HG LYS 5 1HG LYS 5 -13.148 -13.870 -13.870 24 2HG LYS 5 2HG LYS 5 -13.266 -13.502 -13.502 25 1HD LYS 5 1HD LYS 5 -11.251 -14.872 -14.872 26 2HD LYS 5 2HD LYS 5 -11.051 -15.177 -15.177 27 1HE LYS 5 1HE LYS 5 -12.084 -17.091 -17.091 28 2HE LYS 5 2HE LYS 5 -13.159 -16.435 -16.435 29 1HZ LYS 5 3HZ LYS 5 -13.338 -15.756 -15.756 30 2HZ LYS 5 2HZ LYS 5 -14.248 -16.918 -16.918 31 3HZ LYS 5 1HZ LYS 5 -14.395 -15.339 -15.339 32 H GLY 6 H GLY 6 -10.979 -9.752 -9.752 33 1HA GLY 6 1HA GLY 6 -9.016 -8.624 -8.624 34 2HA GLY 6 2HA GLY 6 -9.761 -7.835 -7.835 35 H GLU 7 HN GLU 7 -12.309 -7.302 -7.302 36 HA GLU 7 HA GLU 7 -12.156 -5.011 -5.011 37 1HB GLU 7 2HB GLU 7 -14.040 -5.600 -5.600 38 2HB GLU 7 1HB GLU 7 -14.583 -6.820 -6.820 39 1HG GLU 7 2HG GLU 7 -14.923 -5.045 -5.045 40 2HG GLU 7 1HG GLU 7 -14.411 -3.826 -3.826 41 H LYS 8 HN LYS 8 -13.027 -8.367 -8.367 42 HA LYS 8 HA LYS 8 -13.661 -7.675 -7.675 43 1HB LYS 8 1HB LYS 8 -12.875 -10.427 -10.427 44 2HB LYS 8 2HB LYS 8 -13.859 -9.998 -9.998 45 1HG LYS 8 1HG LYS 8 -14.593 -9.807 -9.807 46 2HG LYS 8 2HG LYS 8 -15.315 -10.829 -10.829 47 1HD LYS 8 2HD LYS 8 -16.235 -8.801 -8.801 48 2HD LYS 8 1HD LYS 8 -15.525 -7.779 -7.779 49 1HE LYS 8 2HE LYS 8 -16.832 -9.037 -9.037 50 2HE LYS 8 1HE LYS 8 -17.643 -9.923 -9.923 51 1HZ LYS 8 3HZ LYS 8 -18.405 -7.779 -7.779 52 2HZ LYS 8 2HZ LYS 8 -17.700 -7.019 -7.019 53 3HZ LYS 8 1HZ LYS 8 -18.934 -8.079 -8.079 54 H GLU 9 HN GLU 9 -10.696 -9.049 -9.049 55 HA GLU 9 HA GLU 9 -9.115 -9.323 -9.323 56 1HB GLU 9 1HB GLU 9 -8.646 -8.727 -8.727 57 2HB GLU 9 2HB GLU 9 -7.365 -9.044 -9.044 58 1HG GLU 9 2HG GLU 9 -9.638 -11.011 -11.011 59 2HG GLU 9 1HG GLU 9 -8.094 -11.049 -11.049 60 H PHE 10 H PHE 10 -9.899 -6.480 -6.480 61 HA PHE 10 HA PHE 10 -8.014 -4.729 -4.729 62 1HB PHE 10 1HB PHE 10 -9.827 -4.427 -4.427 63 2HB PHE 10 2HB PHE 10 -10.774 -3.693 -3.693 64 HD1 PHE 10 HD1 PHE 10 -7.650 -3.527 -3.527 65 HD2 PHE 10 HD2 PHE 10 -9.987 -1.567 -1.567 66 HE1 PHE 10 HE1 PHE 10 -6.072 -1.622 -1.622 67 HE2 PHE 10 HE2 PHE 10 -8.407 0.355 0.355 68 HZ PHE 10 HZ PHE 10 -6.454 0.334 0.334 69 H ASN 11 H ASN 11 -10.788 -6.065 -6.065 70 HA ASN 11 HA ASN 11 -11.205 -4.083 -4.083 71 1HB ASN 11 1HB ASN 11 -12.505 -6.244 -6.244 72 2HB ASN 11 2HB ASN 11 -11.312 -7.058 -7.058 73 1HD2 ASN 11 1HD2 ASN 11 -12.589 -4.890 -4.890 74 2HD2 ASN 11 2HD2 ASN 11 -11.016 -5.004 -5.004 75 H LYS 12 HN LYS 12 -8.513 -6.346 -6.346 76 HA LYS 12 HA LYS 12 -7.340 -5.858 -5.858 77 1HB LYS 12 1HB LYS 12 -6.277 -7.252 -7.252 78 2HB LYS 12 2HB LYS 12 -5.486 -7.196 -7.196 79 1HG LYS 12 2HG LYS 12 -7.433 -8.259 -8.259 80 2HG LYS 12 1HG LYS 12 -8.286 -8.356 -8.356 81 1HD LYS 12 1HD LYS 12 -5.583 -9.692 -9.692 82 2HD LYS 12 2HD LYS 12 -7.126 -10.475 -10.475 83 1HE LYS 12 1HE LYS 12 -7.900 -10.144 -10.144 84 2HE LYS 12 2HE LYS 12 -6.331 -9.436 -9.436 85 1HZ LYS 12 2HZ LYS 12 -5.330 -11.524 -11.524 86 2HZ LYS 12 1HZ LYS 12 -6.815 -12.163 -12.163 87 3HZ LYS 12 3HZ LYS 12 -6.433 -11.724 -11.724 88 H CYS 13 H CYS 13 -6.659 -4.962 -4.962 89 HA CYS 13 HA CYS 13 -4.450 -3.319 -3.319 90 1HB CYS 13 1HB CYS 13 -6.612 -2.847 -2.847 91 2HB CYS 13 2HB CYS 13 -4.951 -2.240 -2.240 92 H LYS 14 HN LYS 14 -7.895 -2.360 -2.360 93 HA LYS 14 HA LYS 14 -7.437 0.386 0.386 94 1HB LYS 14 2HB LYS 14 -9.682 0.567 0.567 95 2HB LYS 14 1HB LYS 14 -9.599 -0.632 -0.632 96 1HG LYS 14 1HG LYS 14 -9.726 -2.432 -2.432 97 2HG LYS 14 2HG LYS 14 -9.746 -1.362 -1.362 98 1HD LYS 14 1HD LYS 14 -11.876 -1.512 -1.512 99 2HD LYS 14 2HD LYS 14 -12.000 -2.209 -2.209 100 1HE LYS 14 1HE LYS 14 -11.872 0.770 0.770 101 2HE LYS 14 2HE LYS 14 -13.262 -0.140 -0.140 102 1HZ LYS 14 3HZ LYS 14 -12.060 -0.555 -0.555 103 2HZ LYS 14 2HZ LYS 14 -10.769 0.313 0.313 104 3HZ LYS 14 1HZ LYS 14 -12.210 1.062 1.062 105 H THR 15 H THR 15 -6.561 -2.117 -2.117 106 HA THR 15 HA THR 15 -6.963 -0.767 -0.767 107 HB THR 15 HB THR 15 -4.724 -2.684 -2.684 108 HG1 THR 15 HG1 THR 15 -6.629 -3.688 -3.688 109 1HG2 THR 15 2HG2 THR 15 -5.958 -1.980 -1.980 110 2HG2 THR 15 3HG2 THR 15 -4.812 -3.303 -3.303 111 3HG2 THR 15 1HG2 THR 15 -4.294 -1.626 -1.626 112 H CYS 16 H CYS 16 -4.817 -0.228 -0.228 113 HA CYS 16 HA CYS 16 -3.631 2.080 2.080 114 1HB CYS 16 1HB CYS 16 -2.236 0.227 0.227 115 2HB CYS 16 2HB CYS 16 -1.538 1.726 1.726 116 H HIS 17 HN HIS 17 -4.503 0.685 0.685 117 HA HIS 17 HA HIS 17 -4.025 3.289 3.289 118 1HB HIS 17 2HB HIS 17 -5.191 0.686 0.686 119 2HB HIS 17 1HB HIS 17 -4.870 2.071 2.071 120 HD1 HIS 17 HD1 HIS 17 -2.547 3.003 3.003 121 HD2 HIS 17 HD2 HIS 17 -2.608 -0.650 -0.650 122 HE1 HIS 17 HE1 HIS 17 -0.212 2.052 2.052 123 H SER 18 H SER 18 -5.842 3.696 3.696 124 HA SER 18 HA SER 18 -8.598 3.570 3.570 125 1HB SER 18 1HB SER 18 -7.010 6.165 6.165 126 2HB SER 18 2HB SER 18 -8.757 6.156 6.156 127 HG SER 18 HG SER 18 -7.594 4.701 4.701 128 H ILE 19 H ILE 19 -10.013 4.775 4.775 129 HA ILE 19 HA ILE 19 -8.866 5.002 5.002 130 HB ILE 19 HB ILE 19 -11.277 3.313 3.313 131 1HG1 ILE 19 1HG1 ILE 19 -9.130 2.121 2.121 132 2HG1 ILE 19 2HG1 ILE 19 -10.108 1.352 1.352 133 1HG2 ILE 19 2HG2 ILE 19 -11.491 4.427 4.427 134 2HG2 ILE 19 3HG2 ILE 19 -9.959 3.656 3.656 135 3HG2 ILE 19 1HG2 ILE 19 -11.387 2.662 2.662 136 1HD1 ILE 19 1HD1 ILE 19 -7.697 3.086 3.086 137 2HD1 ILE 19 3HD1 ILE 19 -7.647 1.333 1.333 138 3HD1 ILE 19 2HD1 ILE 19 -8.577 1.992 1.992 139 H ILE 20 H ILE 20 -9.691 6.801 6.801 140 HA ILE 20 HA ILE 20 -12.185 8.046 8.046 141 HB ILE 20 HB ILE 20 -9.986 9.224 9.224 142 1HG1 ILE 20 2HG1 ILE 20 -10.958 11.517 11.517 143 2HG1 ILE 20 1HG1 ILE 20 -12.357 10.498 10.498 144 1HG2 ILE 20 1HG2 ILE 20 -8.880 8.935 8.935 145 2HG2 ILE 20 3HG2 ILE 20 -10.002 10.173 10.173 146 3HG2 ILE 20 2HG2 ILE 20 -8.852 10.574 10.574 147 1HD1 ILE 20 2HD1 ILE 20 -12.150 9.661 9.661 148 2HD1 ILE 20 3HD1 ILE 20 -10.997 10.969 10.969 149 3HD1 ILE 20 1HD1 ILE 20 -12.676 11.346 11.346 150 H ALA 21 H ALA 21 -13.650 8.649 8.649 151 HA ALA 21 HA ALA 21 -13.209 7.715 7.715 152 1HB ALA 21 3HB ALA 21 -15.420 7.667 7.667 153 2HB ALA 21 1HB ALA 21 -15.436 9.441 9.441 154 3HB ALA 21 2HB ALA 21 -15.511 8.555 8.555 155 HA PRO 22 HA PRO 22 -11.731 11.495 11.495 156 1HB PRO 22 1HB PRO 22 -14.191 11.505 11.505 157 2HB PRO 22 2HB PRO 22 -12.480 11.707 11.707 158 1HG PRO 22 2HG PRO 22 -13.688 9.319 9.319 159 2HG PRO 22 1HG PRO 22 -12.061 9.351 9.351 160 1HD PRO 22 1HD PRO 22 -14.737 9.170 9.170 161 2HD PRO 22 2HD PRO 22 -13.306 8.133 8.133 162 H ASP 23 HN ASP 23 -15.212 11.374 11.374 163 HA ASP 23 HA ASP 23 -15.696 14.124 14.124 164 1HB ASP 23 1HB ASP 23 -17.227 11.783 11.783 165 2HB ASP 23 2HB ASP 23 -17.854 13.383 13.383 166 H GLY 24 H GLY 24 -13.470 12.674 12.674 167 1HA GLY 24 1HA GLY 24 -12.617 12.969 12.969 168 2HA GLY 24 2HA GLY 24 -13.587 14.446 14.446 169 H THR 25 H THR 25 -14.917 11.220 11.220 170 HA THR 25 HA THR 25 -16.361 11.437 11.437 171 HB THR 25 HB THR 25 -17.085 9.981 9.981 172 HG1 THR 25 HG1 THR 25 -17.173 12.411 12.411 173 1HG2 THR 25 3HG2 THR 25 -18.671 10.456 10.456 174 2HG2 THR 25 1HG2 THR 25 -19.297 9.735 9.735 175 3HG2 THR 25 2HG2 THR 25 -18.052 8.883 8.883 176 H GLU 26 HN GLU 26 -15.778 9.960 9.960 177 HA GLU 26 HA GLU 26 -13.595 8.160 8.160 178 1HB GLU 26 2HB GLU 26 -15.505 8.314 8.314 179 2HB GLU 26 1HB GLU 26 -13.947 7.474 7.474 180 1HG GLU 26 2HG GLU 26 -12.772 9.625 9.625 181 2HG GLU 26 1HG GLU 26 -14.312 10.499 10.499 182 H ILE 27 H ILE 27 -13.652 6.292 6.292 183 HA ILE 27 HA ILE 27 -16.172 4.692 4.692 184 HB ILE 27 HB ILE 27 -13.490 4.314 4.314 185 1HG1 ILE 27 2HG1 ILE 27 -14.516 6.247 6.247 186 2HG1 ILE 27 1HG1 ILE 27 -14.756 4.911 4.911 187 1HG2 ILE 27 3HG2 ILE 27 -16.106 2.785 2.785 188 2HG2 ILE 27 1HG2 ILE 27 -14.707 2.643 2.643 189 3HG2 ILE 27 2HG2 ILE 27 -14.568 2.161 2.161 190 1HD1 ILE 27 2HD1 ILE 27 -17.114 4.647 4.647 191 2HD1 ILE 27 3HD1 ILE 27 -16.816 6.186 6.186 192 3HD1 ILE 27 1HD1 ILE 27 -16.831 6.121 6.121 193 H VAL 28 H VAL 28 -12.778 4.677 4.677 194 HA VAL 28 HA VAL 28 -13.583 2.715 2.715 195 HB VAL 28 HB VAL 28 -10.933 2.547 2.547 196 1HG1 VAL 28 1HG1 VAL 28 -12.175 0.885 0.885 197 2HG1 VAL 28 2HG1 VAL 28 -10.669 0.531 0.531 198 3HG1 VAL 28 3HG1 VAL 28 -10.769 1.967 1.967 199 1HG2 VAL 28 2HG2 VAL 28 -13.366 0.703 0.703 200 2HG2 VAL 28 3HG2 VAL 28 -12.766 1.628 1.628 201 3HG2 VAL 28 1HG2 VAL 28 -11.782 0.322 0.322 202 H LYS 29 HN LYS 29 -13.751 4.147 4.147 203 HA LYS 29 HA LYS 29 -11.706 6.230 6.230 204 1HB LYS 29 2HB LYS 29 -13.203 6.693 6.693 205 2HB LYS 29 1HB LYS 29 -13.857 7.035 7.035 206 1HG LYS 29 2HG LYS 29 -15.271 5.094 5.094 207 2HG LYS 29 1HG LYS 29 -14.565 4.522 4.522 208 1HD LYS 29 1HD LYS 29 -15.376 6.552 6.552 209 2HD LYS 29 2HD LYS 29 -16.042 7.175 7.175 210 1HE LYS 29 2HE LYS 29 -16.917 4.587 4.587 211 2HE LYS 29 1HE LYS 29 -17.764 6.139 6.139 212 1HZ LYS 29 1HZ LYS 29 -18.064 6.058 6.058 213 2HZ LYS 29 2HZ LYS 29 -17.326 4.587 4.587 214 3HZ LYS 29 3HZ LYS 29 -18.745 4.752 4.752 215 H GLY 30 H GLY 30 -10.060 4.473 4.473 216 1HA GLY 30 1HA GLY 30 -10.223 2.523 2.523 217 2HA GLY 30 2HA GLY 30 -8.935 2.707 2.707 218 H ALA 31 H ALA 31 -7.987 2.405 2.405 219 HA ALA 31 HA ALA 31 -7.821 4.958 4.958 220 1HB ALA 31 1HB ALA 31 -6.627 2.215 2.215 221 2HB ALA 31 2HB ALA 31 -6.428 3.627 3.627 222 3HB ALA 31 3HB ALA 31 -8.040 2.931 2.931 223 H LYS 32 HN LYS 32 -7.020 5.837 5.837 224 HA LYS 32 HA LYS 32 -4.893 5.629 5.629 225 1HB LYS 32 2HB LYS 32 -6.610 7.361 7.361 226 2HB LYS 32 1HB LYS 32 -5.737 8.314 8.314 227 1HG LYS 32 1HG LYS 32 -3.790 8.474 8.474 228 2HG LYS 32 2HG LYS 32 -4.501 7.312 7.312 229 1HD LYS 32 2HD LYS 32 -6.217 8.883 8.883 230 2HD LYS 32 1HD LYS 32 -5.814 9.974 9.974 231 1HE LYS 32 2HE LYS 32 -4.907 10.807 10.807 232 2HE LYS 32 1HE LYS 32 -3.641 10.497 10.497 233 1HZ LYS 32 1HZ LYS 32 -3.232 8.393 8.393 234 2HZ LYS 32 2HZ LYS 32 -4.350 8.751 8.751 235 3HZ LYS 32 3HZ LYS 32 -2.994 9.685 9.685 236 H THR 33 H THR 33 -3.589 4.510 4.510 237 HA THR 33 HA THR 33 -1.371 6.083 6.083 238 HB THR 33 HB THR 33 -1.739 3.073 3.073 239 HG1 THR 33 HG1 THR 33 -3.446 4.046 4.046 240 1HG2 THR 33 2HG2 THR 33 -0.031 4.830 4.830 241 2HG2 THR 33 3HG2 THR 33 -0.252 3.077 3.077 242 3HG2 THR 33 1HG2 THR 33 0.572 3.721 3.721 243 H GLY 34 H GLY 34 -2.248 4.275 4.275 244 1HA GLY 34 1HA GLY 34 0.469 4.556 4.556 245 2HA GLY 34 2HA GLY 34 -0.647 3.234 3.234 246 HA PRO 35 HA PRO 35 -1.192 7.041 7.041 247 1HB PRO 35 2HB PRO 35 -0.742 4.721 4.721 248 2HB PRO 35 1HB PRO 35 -0.310 6.437 6.437 249 1HG PRO 35 1HG PRO 35 1.563 4.614 4.614 250 2HG PRO 35 2HG PRO 35 1.517 6.250 6.250 251 1HD PRO 35 2HD PRO 35 0.623 3.662 3.662 252 2HD PRO 35 1HD PRO 35 1.346 5.098 5.098 253 H ASN 36 H ASN 36 -2.749 7.134 7.134 254 HA ASN 36 HA ASN 36 -5.198 5.550 5.550 255 1HB ASN 36 2HB ASN 36 -5.461 7.986 7.986 256 2HB ASN 36 1HB ASN 36 -4.734 8.117 8.117 257 1HD2 ASN 36 2HD2 ASN 36 -8.628 7.822 7.822 258 2HD2 ASN 36 1HD2 ASN 36 -7.580 8.568 8.568 259 H LEU 37 H LEU 37 -5.584 3.938 3.938 260 HA LEU 37 HA LEU 37 -3.574 3.717 3.717 261 1HB LEU 37 2HB LEU 37 -5.381 1.600 1.600 262 2HB LEU 37 1HB LEU 37 -4.129 1.354 1.354 263 HG LEU 37 HG LEU 37 -3.707 2.225 2.225 264 1HD1 LEU 37 1HD1 LEU 37 -4.217 -0.167 -0.167 265 2HD1 LEU 37 2HD1 LEU 37 -2.926 -0.304 -0.304 266 3HD1 LEU 37 3HD1 LEU 37 -2.529 0.050 0.050 267 1HD2 LEU 37 1HD2 LEU 37 -1.703 1.907 1.907 268 2HD2 LEU 37 3HD2 LEU 37 -1.998 3.362 3.362 269 3HD2 LEU 37 2HD2 LEU 37 -1.244 1.943 1.943 270 H TYR 38 H TYR 38 -6.548 5.110 5.110 271 HA TYR 38 HA TYR 38 -7.854 3.794 3.794 272 1HB TYR 38 2HB TYR 38 -8.896 5.478 5.478 273 2HB TYR 38 1HB TYR 38 -7.985 6.741 6.741 274 HD1 TYR 38 HD1 TYR 38 -10.740 4.242 4.242 275 HD2 TYR 38 HD2 TYR 38 -8.681 7.604 7.604 276 HE1 TYR 38 HE1 TYR 38 -12.527 4.485 4.485 277 HE2 TYR 38 HE2 TYR 38 -10.338 7.639 7.639 278 HH TYR 38 HH TYR 38 -12.244 6.621 6.621 279 H GLY 39 H GLY 39 -6.029 3.277 3.277 280 1HA GLY 39 1HA GLY 39 -5.560 3.668 3.668 281 2HA GLY 39 2HA GLY 39 -5.481 5.410 5.410 282 H VAL 40 H VAL 40 -3.969 3.034 3.034 283 HA VAL 40 HA VAL 40 -1.347 4.089 4.089 284 HB VAL 40 HB VAL 40 -1.716 3.001 3.001 285 1HG1 VAL 40 1HG1 VAL 40 -3.356 1.244 1.244 286 2HG1 VAL 40 2HG1 VAL 40 -2.073 0.375 0.375 287 3HG1 VAL 40 3HG1 VAL 40 -1.974 0.577 0.577 288 1HG2 VAL 40 2HG2 VAL 40 0.562 2.920 2.920 289 2HG2 VAL 40 1HG2 VAL 40 0.286 1.601 1.601 290 3HG2 VAL 40 3HG2 VAL 40 0.195 1.282 1.282 291 H VAL 41 H VAL 41 -3.268 1.468 1.468 292 HA VAL 41 HA VAL 41 -1.302 0.101 0.101 293 HB VAL 41 HB VAL 41 -4.222 0.619 0.619 294 1HG1 VAL 41 2HG1 VAL 41 -2.262 -1.497 -1.497 295 2HG1 VAL 41 3HG1 VAL 41 -4.012 -1.510 -1.510 296 3HG1 VAL 41 1HG1 VAL 41 -3.016 -0.215 -0.215 297 1HG2 VAL 41 2HG2 VAL 41 -3.964 -0.481 -0.481 298 2HG2 VAL 41 1HG2 VAL 41 -4.633 -1.590 -1.590 299 3HG2 VAL 41 3HG2 VAL 41 -2.928 -1.715 -1.715 300 H GLY 42 H GLY 42 0.121 0.886 0.886 301 1HA GLY 42 1HA GLY 42 0.798 1.681 1.681 302 2HA GLY 42 2HA GLY 42 -0.690 2.619 2.619 303 H ARG 43 HN ARG 43 0.070 3.405 3.405 304 HA ARG 43 HA ARG 43 1.288 5.926 5.926 305 1HB ARG 43 2HB ARG 43 -0.703 5.708 5.708 306 2HB ARG 43 1HB ARG 43 0.445 5.147 5.147 307 1HG ARG 43 1HG ARG 43 1.760 7.328 7.328 308 2HG ARG 43 2HG ARG 43 0.376 7.836 7.836 309 1HD ARG 43 1HD ARG 43 -1.075 7.538 7.538 310 2HD ARG 43 2HD ARG 43 0.368 7.057 7.057 311 HE ARG 43 HE ARG 43 1.281 9.193 9.193 312 1HH1 ARG 43 2HH1 ARG 43 -1.655 9.130 9.130 313 2HH1 ARG 43 1HH1 ARG 43 -1.909 10.853 10.853 314 1HH2 ARG 43 1HH2 ARG 43 0.849 11.402 11.402 315 2HH2 ARG 43 2HH2 ARG 43 -0.382 12.192 12.192 316 H THR 44 H THR 44 3.292 6.722 6.722 317 HA THR 44 HA THR 44 5.409 5.006 5.006 318 HB THR 44 HB THR 44 5.162 7.959 7.959 319 HG1 THR 44 HG1 THR 44 5.828 8.235 8.235 320 1HG2 THR 44 3HG2 THR 44 7.513 6.215 6.215 321 2HG2 THR 44 1HG2 THR 44 7.586 7.967 7.967 322 3HG2 THR 44 2HG2 THR 44 7.257 6.868 6.868 323 H ALA 45 H ALA 45 6.108 4.120 4.120 324 HA ALA 45 HA ALA 45 4.535 4.275 4.275 325 1HB ALA 45 3HB ALA 45 6.204 2.489 2.489 326 2HB ALA 45 1HB ALA 45 7.509 3.656 3.656 327 3HB ALA 45 2HB ALA 45 6.426 3.140 3.140 328 H GLY 46 H GLY 46 4.844 5.295 5.295 329 1HA GLY 46 1HA GLY 46 5.408 6.985 6.985 330 2HA GLY 46 2HA GLY 46 6.920 7.146 7.146 331 H THR 47 H THR 47 3.809 7.679 7.679 332 HA THR 47 HA THR 47 4.250 10.644 10.644 333 HB THR 47 HB THR 47 3.743 10.925 10.925 334 HG1 THR 47 HG1 THR 47 3.627 8.097 8.097 335 1HG2 THR 47 3HG2 THR 47 6.123 10.471 10.471 336 2HG2 THR 47 2HG2 THR 47 5.878 8.767 8.767 337 3HG2 THR 47 1HG2 THR 47 5.710 10.026 10.026 338 H TYR 48 H TYR 48 1.928 8.243 8.243 339 HA TYR 48 HA TYR 48 -0.344 9.614 9.614 340 1HB TYR 48 2HB TYR 48 -0.166 7.165 7.165 341 2HB TYR 48 1HB TYR 48 -0.533 7.839 7.839 342 HD1 TYR 48 HD2 TYR 48 -2.677 9.162 9.162 343 HD2 TYR 48 HD1 TYR 48 -1.888 6.833 6.833 344 HE1 TYR 48 HE2 TYR 48 -5.013 9.499 9.499 345 HE2 TYR 48 HE1 TYR 48 -4.191 7.197 7.197 346 HH TYR 48 HH TYR 48 -6.310 7.956 7.956 347 HA PRO 49 HA PRO 49 0.004 13.064 13.064 348 1HB PRO 49 1HB PRO 49 -2.559 14.135 14.135 349 2HB PRO 49 2HB PRO 49 -1.366 14.280 14.280 350 1HG PRO 49 1HG PRO 49 -3.557 12.201 12.201 351 2HG PRO 49 2HG PRO 49 -3.214 13.245 13.245 352 1HD PRO 49 1HD PRO 49 -2.263 10.751 10.751 353 2HD PRO 49 2HD PRO 49 -1.170 12.067 12.067 354 H GLU 50 HN GLU 50 -0.878 14.030 14.030 355 HA GLU 50 HA GLU 50 -1.322 13.912 13.912 356 1HB GLU 50 1HB GLU 50 -3.533 11.974 11.974 357 2HB GLU 50 2HB GLU 50 -3.419 12.883 12.883 358 1HG GLU 50 1HG GLU 50 -3.584 15.019 15.019 359 2HG GLU 50 2HG GLU 50 -3.741 14.110 14.110 360 H PHE 51 H PHE 51 0.893 12.475 12.475 361 HA PHE 51 HA PHE 51 0.838 10.800 10.800 362 1HB PHE 51 1HB PHE 51 -0.042 9.248 9.248 363 2HB PHE 51 2HB PHE 51 1.612 9.273 9.273 364 HD1 PHE 51 HD2 PHE 51 -0.553 8.580 8.580 365 HD2 PHE 51 HD1 PHE 51 3.404 8.149 8.149 366 HE1 PHE 51 HE2 PHE 51 0.141 7.301 7.301 367 HE2 PHE 51 HE1 PHE 51 4.065 6.769 6.769 368 HZ PHE 51 HZ PHE 51 2.396 6.271 6.271 369 H LYS 52 HN LYS 52 2.646 11.191 11.191 370 HA LYS 52 HA LYS 52 4.999 12.246 12.246 371 1HB LYS 52 2HB LYS 52 3.961 12.994 12.994 372 2HB LYS 52 1HB LYS 52 4.868 11.663 11.663 373 1HG LYS 52 2HG LYS 52 5.937 14.003 14.003 374 2HG LYS 52 1HG LYS 52 6.025 13.875 13.875 375 1HD LYS 52 2HD LYS 52 7.462 12.056 12.056 376 2HD LYS 52 1HD LYS 52 8.184 13.386 13.386 377 1HE LYS 52 2HE LYS 52 7.037 10.859 10.859 378 2HE LYS 52 1HE LYS 52 8.741 11.221 11.221 379 1HZ LYS 52 2HZ LYS 52 8.489 13.125 13.125 380 2HZ LYS 52 3HZ LYS 52 6.907 12.747 12.747 381 3HZ LYS 52 1HZ LYS 52 8.095 11.726 11.726 382 H TYR 53 H TYR 53 5.594 10.431 10.431 383 HA TYR 53 HA TYR 53 6.047 7.810 7.810 384 1HB TYR 53 2HB TYR 53 7.283 8.977 8.977 385 2HB TYR 53 1HB TYR 53 7.100 7.283 7.283 386 HD1 TYR 53 HD2 TYR 53 5.308 10.243 10.243 387 HD2 TYR 53 HD1 TYR 53 5.075 6.043 6.043 388 HE1 TYR 53 HE2 TYR 53 3.163 10.081 10.081 389 HE2 TYR 53 HE1 TYR 53 3.016 5.857 5.857 390 HH TYR 53 HH TYR 53 1.336 8.747 8.747 391 H LYS 54 HN LYS 54 8.388 6.923 6.923 392 HA LYS 54 HA LYS 54 10.440 8.381 8.381 393 1HB LYS 54 1HB LYS 54 10.330 5.415 5.415 394 2HB LYS 54 2HB LYS 54 11.271 6.242 6.242 395 1HG LYS 54 1HG LYS 54 8.230 5.940 5.940 396 2HG LYS 54 2HG LYS 54 9.318 5.014 5.014 397 1HD LYS 54 2HD LYS 54 9.948 6.983 6.983 398 2HD LYS 54 1HD LYS 54 9.036 8.059 8.059 399 1HE LYS 54 1HE LYS 54 7.788 5.847 5.847 400 2HE LYS 54 2HE LYS 54 7.828 7.567 7.567 401 1HZ LYS 54 2HZ LYS 54 6.554 8.041 8.041 402 2HZ LYS 54 1HZ LYS 54 6.507 6.441 6.441 403 3HZ LYS 54 3HZ LYS 54 5.768 6.976 6.976 404 H ASP 55 HN ASP 55 12.608 8.172 8.172 405 HA ASP 55 HA ASP 55 13.172 8.932 8.932 406 1HB ASP 55 2HB ASP 55 14.686 9.235 9.235 407 2HB ASP 55 1HB ASP 55 14.957 7.482 7.482 408 H SER 56 H SER 56 12.813 5.549 5.549 409 HA SER 56 HA SER 56 14.500 4.324 4.324 410 1HB SER 56 1HB SER 56 13.112 2.329 2.329 411 2HB SER 56 2HB SER 56 14.118 3.224 3.224 412 HG SER 56 HG SER 56 11.813 2.832 2.832 413 H ILE 57 H ILE 57 11.053 4.134 4.134 414 HA ILE 57 HA ILE 57 10.311 3.210 3.210 415 HB ILE 57 HB ILE 57 9.110 3.230 3.230 416 1HG1 ILE 57 2HG1 ILE 57 7.474 3.723 3.723 417 2HG1 ILE 57 1HG1 ILE 57 8.288 2.202 2.202 418 1HG2 ILE 57 1HG2 ILE 57 8.938 5.646 5.646 419 2HG2 ILE 57 3HG2 ILE 57 7.838 5.770 5.770 420 3HG2 ILE 57 2HG2 ILE 57 7.365 4.870 4.870 421 1HD1 ILE 57 3HD1 ILE 57 6.905 2.047 2.047 422 2HD1 ILE 57 2HD1 ILE 57 5.957 3.439 3.439 423 3HD1 ILE 57 1HD1 ILE 57 5.998 1.938 1.938 424 H VAL 58 H VAL 58 10.622 6.591 6.591 425 HA VAL 58 HA VAL 58 9.578 7.810 7.810 426 HB VAL 58 HB VAL 58 11.601 8.717 8.717 427 1HG1 VAL 58 2HG2 VAL 58 10.408 10.327 10.327 428 2HG1 VAL 58 3HG2 VAL 58 11.238 11.025 11.025 429 3HG1 VAL 58 1HG2 VAL 58 12.133 9.997 9.997 430 1HG2 VAL 58 2HG1 VAL 58 9.153 8.393 8.393 431 2HG2 VAL 58 3HG1 VAL 58 9.729 10.059 10.059 432 3HG2 VAL 58 1HG1 VAL 58 8.730 9.604 9.604 433 H ALA 59 H ALA 59 13.005 6.889 6.889 434 HA ALA 59 HA ALA 59 14.101 7.739 7.739 435 1HB ALA 59 3HB ALA 59 15.469 7.221 7.221 436 2HB ALA 59 1HB ALA 59 15.019 5.506 5.506 437 3HB ALA 59 2HB ALA 59 15.987 6.253 6.253 438 H LEU 60 H LEU 60 12.782 4.572 4.572 439 HA LEU 60 HA LEU 60 13.311 3.158 3.158 440 1HB LEU 60 1HB LEU 60 12.456 2.306 2.306 441 2HB LEU 60 2HB LEU 60 10.855 2.858 2.858 442 HG LEU 60 HG LEU 60 10.991 1.326 1.326 443 1HD1 LEU 60 3HD2 LEU 60 13.489 0.286 0.286 444 2HD1 LEU 60 2HD2 LEU 60 12.627 -0.541 -0.541 445 3HD1 LEU 60 1HD2 LEU 60 13.419 1.003 1.003 446 1HD2 LEU 60 1HD1 LEU 60 9.841 0.722 0.722 447 2HD2 LEU 60 2HD1 LEU 60 10.501 -0.691 -0.691 448 3HD2 LEU 60 3HD1 LEU 60 11.355 -0.013 -0.013 449 H GLY 61 H GLY 61 10.464 5.099 5.099 450 1HA GLY 61 1HA GLY 61 8.875 4.964 4.964 451 2HA GLY 61 2HA GLY 61 9.009 6.342 6.342 452 H ALA 62 H ALA 62 11.327 7.431 7.431 453 HA ALA 62 HA ALA 62 11.304 8.916 8.916 454 1HB ALA 62 3HB ALA 62 12.392 9.620 9.620 455 2HB ALA 62 1HB ALA 62 13.669 8.410 8.410 456 3HB ALA 62 2HB ALA 62 13.484 9.758 9.758 457 H SER 63 H SER 63 12.994 5.864 5.864 458 HA SER 63 HA SER 63 14.562 5.867 5.867 459 1HB SER 63 1HB SER 63 13.701 3.470 3.470 460 2HB SER 63 2HB SER 63 15.073 3.588 3.588 461 HG SER 63 HG SER 63 14.727 5.127 5.127 462 H GLY 64 H GLY 64 11.260 5.893 5.893 463 1HA GLY 64 1HA GLY 64 9.873 5.709 5.709 464 2HA GLY 64 2HA GLY 64 11.039 4.678 4.678 465 H PHE 65 H PHE 65 10.032 4.118 4.118 466 HA PHE 65 HA PHE 65 9.159 1.445 1.445 467 1HB PHE 65 1HB PHE 65 10.492 1.701 1.701 468 2HB PHE 65 2HB PHE 65 9.283 2.788 2.788 469 HD1 PHE 65 HD2 PHE 65 8.768 -0.535 -0.535 470 HD2 PHE 65 HD1 PHE 65 8.591 1.664 1.664 471 HE1 PHE 65 HE2 PHE 65 7.374 -2.285 -2.285 472 HE2 PHE 65 HE1 PHE 65 7.235 -0.142 -0.142 473 HZ PHE 65 HZ PHE 65 6.568 -2.097 -2.097 474 H ALA 66 H ALA 66 7.410 2.015 2.015 475 HA ALA 66 HA ALA 66 4.949 3.176 3.176 476 1HB ALA 66 1HB ALA 66 5.484 1.550 1.550 477 2HB ALA 66 3HB ALA 66 3.992 2.438 2.438 478 3HB ALA 66 2HB ALA 66 5.511 3.324 3.324 479 H TRP 67 H TRP 67 3.595 2.102 2.102 480 HA TRP 67 HA TRP 67 4.013 -0.626 -0.626 481 1HB TRP 67 2HB TRP 67 1.825 1.401 1.401 482 2HB TRP 67 1HB TRP 67 1.624 -0.269 -0.269 483 HD1 TRP 67 HD1 TRP 67 2.832 2.869 2.869 484 HE1 TRP 67 HE1 TRP 67 3.994 2.479 2.479 485 HE3 TRP 67 HE3 TRP 67 3.524 -2.195 -2.195 486 HZ2 TRP 67 HZ2 TRP 67 5.269 0.339 0.339 487 HZ3 TRP 67 HZ3 TRP 67 4.707 -3.377 -3.377 488 HH2 TRP 67 HH2 TRP 67 5.705 -2.093 -2.093 489 H THR 68 H THR 68 3.708 -2.275 -2.275 490 HA THR 68 HA THR 68 1.328 -2.309 -2.309 491 HB THR 68 HB THR 68 2.182 -4.398 -4.398 492 HG1 THR 68 HG1 THR 68 4.477 -4.275 -4.275 493 1HG2 THR 68 3HG2 THR 68 3.180 -2.340 -2.340 494 2HG2 THR 68 2HG2 THR 68 4.493 -2.424 -2.424 495 3HG2 THR 68 1HG2 THR 68 4.314 -3.707 -3.707 496 H GLU 69 HN GLU 69 -0.117 -4.249 -4.249 497 HA GLU 69 HA GLU 69 -1.139 -4.742 -4.742 498 1HB GLU 69 1HB GLU 69 -1.309 -6.588 -6.588 499 2HB GLU 69 2HB GLU 69 -2.391 -6.543 -6.543 500 1HG GLU 69 2HG GLU 69 -2.533 -3.960 -3.960 501 2HG GLU 69 1HG GLU 69 -2.100 -4.575 -4.575 502 H GLU 70 HN GLU 70 1.186 -6.408 -6.408 503 HA GLU 70 HA GLU 70 1.585 -8.776 -8.776 504 1HB GLU 70 2HB GLU 70 3.553 -7.363 -7.363 505 2HB GLU 70 1HB GLU 70 3.659 -9.028 -9.028 506 1HG GLU 70 1HG GLU 70 1.472 -9.530 -9.530 507 2HG GLU 70 2HG GLU 70 1.458 -7.896 -7.896 508 H ASP 71 HN ASP 71 3.404 -5.651 -5.651 509 HA ASP 71 HA ASP 71 5.248 -6.290 -6.290 510 1HB ASP 71 1HB ASP 71 4.147 -3.642 -3.642 511 2HB ASP 71 2HB ASP 71 5.411 -3.782 -3.782 512 H ILE 72 H ILE 72 2.086 -4.556 -4.556 513 HA ILE 72 HA ILE 72 2.100 -4.047 -4.047 514 HB ILE 72 HB ILE 72 -0.206 -4.611 -4.611 515 1HG1 ILE 72 2HG1 ILE 72 0.648 -1.945 -1.945 516 2HG1 ILE 72 1HG1 ILE 72 1.299 -2.540 -2.540 517 1HG2 ILE 72 2HG2 ILE 72 -0.283 -3.566 -3.566 518 2HG2 ILE 72 1HG2 ILE 72 -1.664 -3.554 -3.554 519 3HG2 ILE 72 3HG2 ILE 72 -0.992 -5.085 -5.085 520 1HD1 ILE 72 3HD1 ILE 72 -0.944 -2.700 -2.700 521 2HD1 ILE 72 1HD1 ILE 72 -1.648 -2.017 -2.017 522 3HD1 ILE 72 2HD1 ILE 72 -0.540 -1.052 -1.052 523 H ALA 73 H ALA 73 0.722 -6.810 -6.810 524 HA ALA 73 HA ALA 73 -0.190 -8.280 -8.280 525 1HB ALA 73 1HB ALA 73 -0.724 -8.765 -8.765 526 2HB ALA 73 3HB ALA 73 0.933 -9.338 -9.338 527 3HB ALA 73 2HB ALA 73 -0.136 -10.222 -10.222 528 H THR 74 H THR 74 3.080 -8.279 -8.279 529 HA THR 74 HA THR 74 4.076 -10.421 -10.421 530 HB THR 74 HB THR 74 5.618 -8.245 -8.245 531 HG1 THR 74 HG1 THR 74 4.251 -9.350 -9.350 532 1HG2 THR 74 2HG2 THR 74 6.400 -11.069 -11.069 533 2HG2 THR 74 1HG2 THR 74 7.398 -9.961 -9.961 534 3HG2 THR 74 3HG2 THR 74 7.016 -9.570 -9.570 535 H TYR 75 H TYR 75 4.472 -6.849 -6.849 536 HA TYR 75 HA TYR 75 6.181 -6.597 -6.597 537 1HB TYR 75 2HB TYR 75 5.678 -4.734 -4.734 538 2HB TYR 75 1HB TYR 75 3.948 -4.842 -4.842 539 HD1 TYR 75 HD1 TYR 75 7.131 -4.363 -4.363 540 HD2 TYR 75 HD2 TYR 75 2.945 -3.415 -3.415 541 HE1 TYR 75 HE1 TYR 75 7.331 -2.734 -2.734 542 HE2 TYR 75 HE2 TYR 75 3.161 -1.798 -1.798 543 HH TYR 75 HH TYR 75 4.482 -1.106 -1.106 544 H VAL 76 H VAL 76 2.589 -6.856 -6.856 545 HA VAL 76 HA VAL 76 2.556 -6.507 -6.507 546 HB VAL 76 HB VAL 76 0.551 -8.008 -8.008 547 1HG1 VAL 76 1HG1 VAL 76 0.604 -5.667 -5.667 548 2HG1 VAL 76 3HG1 VAL 76 -0.862 -6.378 -6.378 549 3HG1 VAL 76 2HG1 VAL 76 0.320 -5.578 -5.578 550 1HG2 VAL 76 3HG2 VAL 76 1.150 -9.388 -9.388 551 2HG2 VAL 76 1HG2 VAL 76 -0.486 -8.736 -8.736 552 3HG2 VAL 76 2HG2 VAL 76 0.736 -7.978 -7.978 553 H LYS 77 HN LYS 77 3.579 -9.332 -9.332 554 HA LYS 77 HA LYS 77 3.583 -11.091 -11.091 555 1HB LYS 77 1HB LYS 77 4.912 -11.699 -11.699 556 2HB LYS 77 2HB LYS 77 4.214 -12.800 -12.800 557 1HG LYS 77 2HG LYS 77 1.934 -11.649 -11.649 558 2HG LYS 77 1HG LYS 77 2.823 -11.001 -11.001 559 1HD LYS 77 2HD LYS 77 3.490 -13.354 -13.354 560 2HD LYS 77 1HD LYS 77 2.392 -13.949 -13.949 561 1HE LYS 77 2HE LYS 77 1.662 -12.297 -12.297 562 2HE LYS 77 1HE LYS 77 1.274 -13.998 -13.998 563 1HZ LYS 77 1HZ LYS 77 -0.075 -13.290 -13.290 564 2HZ LYS 77 3HZ LYS 77 0.252 -11.707 -11.707 565 3HZ LYS 77 2HZ LYS 77 -0.593 -12.618 -12.618 566 H ASP 78 HN ASP 78 5.688 -8.676 -8.676 567 HA ASP 78 HA ASP 78 8.021 -9.673 -9.673 568 1HB ASP 78 1HB ASP 78 7.979 -9.163 -9.163 569 2HB ASP 78 2HB ASP 78 9.460 -9.239 -9.239 570 HA PRO 79 HA PRO 79 7.358 -4.976 -4.976 571 1HB PRO 79 2HB PRO 79 6.985 -4.561 -4.561 572 2HB PRO 79 1HB PRO 79 5.664 -4.826 -4.826 573 1HG PRO 79 1HG PRO 79 7.045 -6.891 -6.891 574 2HG PRO 79 2HG PRO 79 5.287 -6.618 -6.618 575 1HD PRO 79 1HD PRO 79 6.499 -8.571 -8.571 576 2HD PRO 79 2HD PRO 79 5.289 -7.510 -7.510 577 H GLY 80 H GLY 80 9.116 -3.684 -3.684 578 1HA GLY 80 1HA GLY 80 11.279 -3.105 -3.105 579 2HA GLY 80 2HA GLY 80 11.265 -4.416 -4.416 580 H ALA 81 H ALA 81 11.178 -6.694 -6.694 581 HA ALA 81 HA ALA 81 13.646 -7.229 -7.229 582 1HB ALA 81 3HB ALA 81 11.026 -8.759 -8.759 583 2HB ALA 81 1HB ALA 81 12.620 -9.400 -9.400 584 3HB ALA 81 2HB ALA 81 12.290 -8.954 -8.954 585 H PHE 82 H PHE 82 10.491 -6.691 -6.691 586 HA PHE 82 HA PHE 82 11.174 -6.970 -6.970 587 1HB PHE 82 1HB PHE 82 8.931 -6.580 -6.580 588 2HB PHE 82 2HB PHE 82 9.352 -4.925 -4.925 589 HD1 PHE 82 HD2 PHE 82 9.737 -3.271 -3.271 590 HD2 PHE 82 HD1 PHE 82 8.155 -7.238 -7.238 591 HE1 PHE 82 HE2 PHE 82 8.955 -2.599 -2.599 592 HE2 PHE 82 HE1 PHE 82 7.256 -6.502 -6.502 593 HZ PHE 82 HZ PHE 82 7.684 -4.204 -4.204 594 H LEU 83 H LEU 83 11.411 -3.985 -3.985 595 HA LEU 83 HA LEU 83 12.417 -2.313 -2.313 596 1HB LEU 83 2HB LEU 83 12.468 -2.103 -2.103 597 2HB LEU 83 1HB LEU 83 13.054 -0.919 -0.919 598 HG LEU 83 HG LEU 83 10.531 -1.226 -1.226 599 1HD1 LEU 83 1HD2 LEU 83 10.350 -1.467 -1.467 600 2HD1 LEU 83 2HD2 LEU 83 8.999 -1.136 -1.136 601 3HD1 LEU 83 3HD2 LEU 83 9.832 -2.705 -2.705 602 1HD2 LEU 83 2HD1 LEU 83 11.464 0.637 0.637 603 2HD2 LEU 83 1HD1 LEU 83 11.679 0.915 0.915 604 3HD2 LEU 83 3HD1 LEU 83 10.052 0.912 0.912 605 H LYS 84 HN LYS 84 13.956 -4.125 -4.125 606 HA LYS 84 HA LYS 84 16.628 -3.348 -3.348 607 1HB LYS 84 2HB LYS 84 15.495 -5.956 -5.956 608 2HB LYS 84 1HB LYS 84 17.212 -5.523 -5.523 609 1HG LYS 84 1HG LYS 84 16.810 -3.614 -3.614 610 2HG LYS 84 2HG LYS 84 15.052 -3.746 -3.746 611 1HD LYS 84 2HD LYS 84 15.022 -5.876 -5.876 612 2HD LYS 84 1HD LYS 84 16.787 -5.845 -5.845 613 1HE LYS 84 2HE LYS 84 15.818 -5.084 -5.084 614 2HE LYS 84 1HE LYS 84 16.642 -3.724 -3.724 615 1HZ LYS 84 3HZ LYS 84 13.752 -4.250 -4.250 616 2HZ LYS 84 2HZ LYS 84 14.503 -3.116 -3.116 617 3HZ LYS 84 1HZ LYS 84 14.509 -2.970 -2.970 618 H GLU 85 HN GLU 85 14.859 -6.167 -6.167 619 HA GLU 85 HA GLU 85 16.875 -7.260 -7.260 620 1HB GLU 85 1HB GLU 85 14.779 -8.339 -8.339 621 2HB GLU 85 2HB GLU 85 13.870 -7.062 -7.062 622 1HG GLU 85 1HG GLU 85 15.993 -8.557 -8.557 623 2HG GLU 85 2HG GLU 85 14.437 -9.334 -9.334 624 H LYS 86 HN LYS 86 14.655 -4.604 -4.604 625 HA LYS 86 HA LYS 86 15.918 -4.319 -4.319 626 1HB LYS 86 2HB LYS 86 13.871 -2.607 -2.607 627 2HB LYS 86 1HB LYS 86 14.372 -2.407 -2.407 628 1HG LYS 86 2HG LYS 86 13.646 -4.743 -4.743 629 2HG LYS 86 1HG LYS 86 13.099 -4.904 -4.904 630 1HD LYS 86 1HD LYS 86 11.434 -3.158 -3.158 631 2HD LYS 86 2HD LYS 86 12.033 -2.798 -2.798 632 1HE LYS 86 1HE LYS 86 9.993 -4.192 -4.192 633 2HE LYS 86 2HE LYS 86 11.380 -5.034 -5.034 634 1HZ LYS 86 2HZ LYS 86 10.392 -5.438 -5.438 635 2HZ LYS 86 3HZ LYS 86 10.066 -6.418 -6.418 636 3HZ LYS 86 1HZ LYS 86 11.612 -6.276 -6.276 637 H LEU 87 H LEU 87 15.810 -2.205 -2.205 638 HA LEU 87 HA LEU 87 17.522 -0.257 -0.257 639 1HB LEU 87 2HB LEU 87 15.627 0.259 0.259 640 2HB LEU 87 1HB LEU 87 16.534 -0.480 -0.480 641 HG LEU 87 HG LEU 87 18.244 1.284 1.284 642 1HD1 LEU 87 3HD2 LEU 87 16.544 2.369 2.369 643 2HD1 LEU 87 2HD2 LEU 87 17.822 3.281 3.281 644 3HD1 LEU 87 1HD2 LEU 87 18.240 1.836 1.836 645 1HD2 LEU 87 2HD1 LEU 87 16.229 1.648 1.648 646 2HD2 LEU 87 1HD1 LEU 87 16.855 3.167 3.167 647 3HD2 LEU 87 3HD1 LEU 87 15.413 2.421 2.421 648 H ASP 88 HN ASP 88 18.121 -3.013 -3.013 649 HA ASP 88 HA ASP 88 19.917 -3.877 -3.877 650 1HB ASP 88 1HB ASP 88 20.573 -4.022 -4.022 651 2HB ASP 88 2HB ASP 88 21.366 -2.443 -2.443 652 H ASP 89 HN ASP 89 19.127 -2.036 -2.036 653 HA ASP 89 HA ASP 89 21.592 -0.867 -0.867 654 1HB ASP 89 1HB ASP 89 20.510 0.880 0.880 655 2HB ASP 89 2HB ASP 89 19.029 0.729 0.729 656 H LYS 90 HN LYS 90 21.558 -1.004 -1.004 657 HA LYS 90 HA LYS 90 19.685 -2.704 -2.704 658 1HB LYS 90 2HB LYS 90 22.008 -2.397 -2.397 659 2HB LYS 90 1HB LYS 90 21.714 -0.680 -0.680 660 1HG LYS 90 2HG LYS 90 21.769 -1.937 -1.937 661 2HG LYS 90 1HG LYS 90 20.174 -1.214 -1.214 662 1HD LYS 90 1HD LYS 90 19.255 -3.377 -3.377 663 2HD LYS 90 2HD LYS 90 20.858 -4.127 -4.127 664 1HE LYS 90 2HE LYS 90 19.299 -2.936 -2.936 665 2HE LYS 90 1HE LYS 90 19.382 -4.656 -4.656 666 1HZ LYS 90 1HZ LYS 90 21.747 -4.568 -4.568 667 2HZ LYS 90 2HZ LYS 90 21.663 -2.979 -2.979 668 3HZ LYS 90 3HZ LYS 90 20.930 -4.123 -4.123 669 H LYS 91 HN LYS 91 19.875 0.792 0.792 670 HA LYS 91 HA LYS 91 17.764 1.433 1.433 671 1HB LYS 91 1HB LYS 91 18.945 3.090 3.090 672 2HB LYS 91 2HB LYS 91 17.996 3.714 3.714 673 1HG LYS 91 2HG LYS 91 19.767 2.939 2.939 674 2HG LYS 91 1HG LYS 91 20.768 2.435 2.435 675 1HD LYS 91 2HD LYS 91 19.797 5.281 5.281 676 2HD LYS 91 1HD LYS 91 21.415 4.650 4.650 677 1HE LYS 91 2HE LYS 91 21.688 4.119 4.119 678 2HE LYS 91 1HE LYS 91 20.145 4.933 4.933 679 1HZ LYS 91 1HZ LYS 91 21.061 6.923 6.923 680 2HZ LYS 91 3HZ LYS 91 22.508 6.181 6.181 681 3HZ LYS 91 2HZ LYS 91 21.969 6.380 6.380 682 H ALA 92 H ALA 92 17.465 -0.255 -0.255 683 HA ALA 92 HA ALA 92 15.198 1.115 1.115 684 1HB ALA 92 1HB ALA 92 16.822 -0.291 -0.291 685 2HB ALA 92 2HB ALA 92 16.200 -1.705 -1.705 686 3HB ALA 92 3HB ALA 92 15.140 -0.788 -0.788 687 H LYS 93 HN LYS 93 14.324 1.230 1.230 688 HA LYS 93 HA LYS 93 12.818 -1.202 -1.202 689 1HB LYS 93 1HB LYS 93 13.320 1.481 1.481 690 2HB LYS 93 2HB LYS 93 12.459 0.107 0.107 691 1HG LYS 93 1HG LYS 93 14.493 -1.285 -1.285 692 2HG LYS 93 2HG LYS 93 15.383 0.078 0.078 693 1HD LYS 93 1HD LYS 93 15.033 1.401 1.401 694 2HD LYS 93 2HD LYS 93 14.037 0.109 0.109 695 1HE LYS 93 2HE LYS 93 16.270 0.012 0.012 696 2HE LYS 93 1HE LYS 93 15.981 -1.434 -1.434 697 1HZ LYS 93 3HZ LYS 93 17.476 0.940 0.940 698 2HZ LYS 93 2HZ LYS 93 18.147 -0.468 -0.468 699 3HZ LYS 93 1HZ LYS 93 17.274 -0.451 -0.451 700 H THR 94 H THR 94 10.573 -0.308 -0.308 701 HA THR 94 HA THR 94 9.226 1.669 1.669 702 HB THR 94 HB THR 94 8.777 -0.245 -0.245 703 HG1 THR 94 HG1 THR 94 6.539 -0.367 -0.367 704 1HG2 THR 94 3HG2 THR 94 9.352 -2.087 -2.087 705 2HG2 THR 94 2HG2 THR 94 7.874 -1.746 -1.746 706 3HG2 THR 94 1HG2 THR 94 7.761 -2.328 -2.328 707 H GLY 95 H GLY 95 7.385 2.434 2.434 708 1HA GLY 95 1HA GLY 95 7.370 2.165 2.165 709 2HA GLY 95 2HA GLY 95 6.168 2.995 2.995 710 H MET 96 H MET 96 5.991 0.294 0.294 711 HA MET 96 HA MET 96 3.671 -0.633 -0.633 712 1HB MET 96 1HB MET 96 4.259 -0.593 -0.593 713 2HB MET 96 2HB MET 96 5.318 -1.972 -1.972 714 1HG MET 96 1HG MET 96 3.574 -3.421 -3.421 715 2HG MET 96 2HG MET 96 2.500 -2.200 -2.200 716 1HE MET 96 2HE MET 96 3.357 -4.385 -4.385 717 2HE MET 96 1HE MET 96 1.675 -4.571 -4.571 718 3HE MET 96 3HE MET 96 2.007 -3.984 -3.984 719 H ALA 97 H ALA 97 4.612 -1.035 -1.035 720 HA ALA 97 HA ALA 97 6.020 -3.534 -3.534 721 1HB ALA 97 3HB ALA 97 6.160 -1.624 -1.624 722 2HB ALA 97 1HB ALA 97 4.420 -1.751 -1.751 723 3HB ALA 97 2HB ALA 97 5.520 -3.062 -3.062 724 H PHE 98 H PHE 98 4.257 -4.425 -4.425 725 HA PHE 98 HA PHE 98 2.543 -6.275 -6.275 726 1HB PHE 98 1HB PHE 98 0.981 -4.419 -4.419 727 2HB PHE 98 2HB PHE 98 1.393 -3.943 -3.943 728 HD1 PHE 98 HD2 PHE 98 0.540 -5.145 -5.145 729 HD2 PHE 98 HD1 PHE 98 -0.535 -6.363 -6.363 730 HE1 PHE 98 HE2 PHE 98 -1.231 -6.609 -6.609 731 HE2 PHE 98 HE1 PHE 98 -2.352 -7.773 -7.773 732 HZ PHE 98 HZ PHE 98 -2.719 -7.884 -7.884 733 H LYS 99 HN LYS 99 2.084 -8.034 -8.034 734 HA LYS 99 HA LYS 99 2.682 -7.733 -7.733 735 1HB LYS 99 2HB LYS 99 3.756 -10.288 -10.288 736 2HB LYS 99 1HB LYS 99 4.497 -9.014 -9.014 737 1HG LYS 99 1HG LYS 99 5.235 -7.949 -7.949 738 2HG LYS 99 2HG LYS 99 4.563 -9.381 -9.381 739 1HD LYS 99 2HD LYS 99 6.044 -10.810 -10.810 740 2HD LYS 99 1HD LYS 99 6.775 -9.326 -9.326 741 1HE LYS 99 1HE LYS 99 7.490 -8.714 -8.714 742 2HE LYS 99 2HE LYS 99 6.805 -10.237 -10.237 743 1HZ LYS 99 3HZ LYS 99 8.326 -11.404 -11.404 744 2HZ LYS 99 1HZ LYS 99 8.962 -9.986 -9.986 745 3HZ LYS 99 2HZ LYS 99 9.141 -10.413 -10.413 746 H LEU 100 H LEU 100 1.833 -9.583 -9.583 747 HA LEU 100 HA LEU 100 0.133 -11.494 -11.494 748 1HB LEU 100 2HB LEU 100 -1.342 -9.501 -9.501 749 2HB LEU 100 1HB LEU 100 -1.014 -9.422 -9.422 750 HG LEU 100 HG LEU 100 -2.048 -11.729 -11.729 751 1HD1 LEU 100 2HD2 LEU 100 -2.878 -11.251 -11.251 752 2HD1 LEU 100 1HD2 LEU 100 -3.507 -12.525 -12.525 753 3HD1 LEU 100 3HD2 LEU 100 -1.814 -12.550 -12.550 754 1HD2 LEU 100 1HD1 LEU 100 -3.263 -9.624 -9.624 755 2HD2 LEU 100 2HD1 LEU 100 -4.328 -10.902 -10.902 756 3HD2 LEU 100 3HD1 LEU 100 -3.838 -9.575 -9.575 757 H ALA 101 H ALA 101 0.913 -13.307 -13.307 758 HA ALA 101 HA ALA 101 1.998 -13.213 -13.213 759 1HB ALA 101 3HB ALA 101 3.045 -14.529 -14.529 760 2HB ALA 101 2HB ALA 101 1.600 -15.564 -15.564 761 3HB ALA 101 1HB ALA 101 2.605 -15.538 -15.538 762 H LYS 102 HN LYS 102 -0.756 -12.534 -12.534 763 HA LYS 102 HA LYS 102 -1.953 -14.265 -14.265 764 1HB LYS 102 1HB LYS 102 -3.131 -14.140 -14.140 765 2HB LYS 102 2HB LYS 102 -4.081 -14.621 -14.621 766 1HG LYS 102 2HG LYS 102 -1.709 -16.121 -16.121 767 2HG LYS 102 1HG LYS 102 -3.400 -16.544 -16.544 768 1HD LYS 102 2HD LYS 102 -1.735 -16.554 -16.554 769 2HD LYS 102 1HD LYS 102 -2.335 -17.946 -17.946 770 1HE LYS 102 1HE LYS 102 -4.025 -15.910 -15.910 771 2HE LYS 102 2HE LYS 102 -3.690 -17.581 -17.581 772 1HZ LYS 102 2HZ LYS 102 -4.855 -18.298 -18.298 773 2HZ LYS 102 3HZ LYS 102 -5.190 -16.738 -16.738 774 3HZ LYS 102 1HZ LYS 102 -5.826 -17.377 -17.377 775 H GLY 103 H GLY 103 -4.406 -13.284 -13.284 776 1HA GLY 103 1HA GLY 103 -5.772 -11.476 -11.476 777 2HA GLY 103 2HA GLY 103 -4.741 -10.572 -10.572 778 H GLY 104 H GLY 104 -2.400 -10.321 -10.321 779 1HA GLY 104 1HA GLY 104 -2.069 -8.197 -8.197 780 2HA GLY 104 2HA GLY 104 -1.191 -9.650 -9.650 781 H GLU 105 HN GLU 105 -2.693 -11.083 -11.083 782 HA GLU 105 HA GLU 105 -2.869 -9.583 -9.583 783 1HB GLU 105 2HB GLU 105 -3.892 -11.808 -11.808 784 2HB GLU 105 1HB GLU 105 -2.202 -11.779 -11.779 785 1HG GLU 105 1HG GLU 105 -4.352 -12.629 -12.629 786 2HG GLU 105 2HG GLU 105 -3.724 -13.723 -13.723 787 H ASP 106 HN ASP 106 -5.281 -10.806 -10.806 788 HA ASP 106 HA ASP 106 -7.608 -10.225 -10.225 789 1HB ASP 106 2HB ASP 106 -7.390 -10.567 -10.567 790 2HB ASP 106 1HB ASP 106 -8.828 -10.732 -10.732 791 H VAL 107 H VAL 107 -5.877 -8.677 -8.677 792 HA VAL 107 HA VAL 107 -7.499 -6.348 -6.348 793 HB VAL 107 HB VAL 107 -4.607 -6.787 -6.787 794 1HG1 VAL 107 3HG2 VAL 107 -6.488 -4.417 -4.417 795 2HG1 VAL 107 1HG2 VAL 107 -5.271 -4.699 -4.699 796 3HG1 VAL 107 2HG2 VAL 107 -4.769 -4.438 -4.438 797 1HG2 VAL 107 3HG1 VAL 107 -6.331 -8.160 -8.160 798 2HG2 VAL 107 2HG1 VAL 107 -5.593 -6.942 -6.942 799 3HG2 VAL 107 1HG1 VAL 107 -7.217 -6.670 -6.670 800 H ALA 108 H ALA 108 -4.455 -6.997 -6.997 801 HA ALA 108 HA ALA 108 -4.286 -4.453 -4.453 802 1HB ALA 108 3HB ALA 108 -2.518 -6.149 -6.149 803 2HB ALA 108 1HB ALA 108 -3.563 -7.139 -7.139 804 3HB ALA 108 2HB ALA 108 -3.029 -5.536 -5.536 805 H ALA 109 H ALA 109 -6.109 -7.333 -7.333 806 HA ALA 109 HA ALA 109 -7.222 -6.049 -6.049 807 1HB ALA 109 1HB ALA 109 -7.313 -8.458 -8.458 808 2HB ALA 109 3HB ALA 109 -8.421 -8.260 -8.260 809 3HB ALA 109 2HB ALA 109 -8.940 -7.808 -7.808 810 H TYR 110 H TYR 110 -8.439 -6.229 -6.229 811 HA TYR 110 HA TYR 110 -10.864 -4.805 -4.805 812 1HB TYR 110 2HB TYR 110 -10.512 -5.960 -5.960 813 2HB TYR 110 1HB TYR 110 -9.003 -5.138 -5.138 814 HD1 TYR 110 HD2 TYR 110 -12.668 -4.422 -4.422 815 HD2 TYR 110 HD1 TYR 110 -8.953 -3.317 -3.317 816 HE1 TYR 110 HE2 TYR 110 -13.873 -2.794 -2.794 817 HE2 TYR 110 HE1 TYR 110 -10.158 -1.708 -1.708 818 HH TYR 110 HH TYR 110 -12.203 -0.850 -0.850 819 H LEU 111 H LEU 111 -7.596 -3.531 -3.531 820 HA LEU 111 HA LEU 111 -8.359 -0.799 -0.799 821 1HB LEU 111 1HB LEU 111 -5.688 -2.123 -2.123 822 2HB LEU 111 2HB LEU 111 -5.899 -0.382 -0.382 823 HG LEU 111 HG LEU 111 -6.738 -2.439 -2.439 824 1HD1 LEU 111 2HD1 LEU 111 -4.312 -2.580 -2.580 825 2HD1 LEU 111 1HD1 LEU 111 -4.172 -0.824 -0.824 826 3HD1 LEU 111 3HD1 LEU 111 -4.668 -1.848 -1.848 827 1HD2 LEU 111 1HD2 LEU 111 -6.387 0.579 0.579 828 2HD2 LEU 111 2HD2 LEU 111 -7.895 -0.327 -0.327 829 3HD2 LEU 111 3HD2 LEU 111 -6.601 -0.444 -0.444 830 H ALA 112 H ALA 112 -7.065 -2.820 -2.820 831 HA ALA 112 HA ALA 112 -6.908 -0.830 -0.830 832 1HB ALA 112 3HB ALA 112 -5.929 -3.087 -3.087 833 2HB ALA 112 1HB ALA 112 -7.552 -3.787 -3.787 834 3HB ALA 112 2HB ALA 112 -6.939 -2.684 -2.684 835 H SER 113 H SER 113 -9.692 -2.942 -2.942 836 HA SER 113 HA SER 113 -11.398 -1.778 -1.778 837 1HB SER 113 1HB SER 113 -13.218 -2.992 -2.992 838 2HB SER 113 2HB SER 113 -11.925 -3.979 -3.979 839 HG SER 113 HG SER 113 -10.976 -4.139 -4.139 840 H VAL 114 H VAL 114 -10.814 -1.138 -1.138 841 HA VAL 114 HA VAL 114 -12.946 0.654 0.654 842 HB VAL 114 HB VAL 114 -10.284 0.079 0.079 843 1HG1 VAL 114 2HG1 VAL 114 -12.089 2.316 2.316 844 2HG1 VAL 114 1HG1 VAL 114 -10.756 1.603 1.603 845 3HG1 VAL 114 3HG1 VAL 114 -10.396 2.459 2.459 846 1HG2 VAL 114 1HG2 VAL 114 -12.339 -1.349 -1.349 847 2HG2 VAL 114 3HG2 VAL 114 -11.660 -0.610 -0.610 848 3HG2 VAL 114 2HG2 VAL 114 -13.117 0.076 0.076 849 H VAL 115 H VAL 115 -9.588 1.387 1.387 850 HA VAL 115 HA VAL 115 -9.960 4.191 4.191 851 HB VAL 115 HB VAL 115 -7.812 3.240 3.240 852 1HG1 VAL 115 2HG2 VAL 115 -8.008 1.400 1.400 853 2HG1 VAL 115 3HG2 VAL 115 -7.939 2.578 2.578 854 3HG1 VAL 115 1HG2 VAL 115 -6.568 2.392 2.392 855 1HG2 VAL 115 3HG1 VAL 115 -8.038 5.577 5.577 856 2HG2 VAL 115 2HG1 VAL 115 -6.667 4.846 4.846 857 3HG2 VAL 115 1HG1 VAL 115 -8.184 5.115 5.115 858 H LYS 116 HN LYS 116 -11.905 4.687 4.687 859 HA LYS 116 HA LYS 116 -12.154 4.922 4.922 860 1HB LYS 116 1HB LYS 116 -14.239 4.785 4.785 861 2HB LYS 116 2HB LYS 116 -14.602 5.028 5.028 862 1HG LYS 116 2HG LYS 116 -13.651 2.877 2.877 863 2HG LYS 116 1HG LYS 116 -13.135 2.560 2.560 864 1HD LYS 116 2HD LYS 116 -16.049 2.940 2.940 865 2HD LYS 116 1HD LYS 116 -15.224 1.371 1.371 866 1HE LYS 116 1HE LYS 116 -14.682 1.809 1.809 867 2HE LYS 116 2HE LYS 116 -15.598 3.323 3.323 868 1HZ LYS 116 3HZ LYS 116 -16.688 0.645 0.645 869 2HZ LYS 116 1HZ LYS 116 -16.897 1.553 1.553 870 3HZ LYS 116 2HZ LYS 116 -17.539 2.056 2.056 871 HHA HEC 117 HHA HEM 117 3.152 2.274 2.274 872 HHB HEC 117 HHB HEM 117 -0.686 -2.252 -2.252 873 HHC HEC 117 HHC HEM 117 -2.260 -4.019 -4.019 874 HHD HEC 117 HHD HEM 117 1.469 0.590 0.590 875 1HMA HEC 117 1HMA HEM 117 -0.116 -0.524 -0.524 876 2HMA HEC 117 2HMA HEM 117 1.520 0.008 0.008 877 3HMA HEC 117 3HMA HEM 117 1.250 -1.667 -1.667 878 1HAA HEC 117 1HAA HEM 117 3.632 2.040 2.040 879 2HAA HEC 117 2HAA HEM 117 3.146 1.234 1.234 880 1HBA HEC 117 1HBA HEM 117 1.546 3.464 3.464 881 2HBA HEC 117 2HBA HEM 117 1.190 2.669 2.669 882 1HMB HEC 117 1HMB HEM 117 -3.125 -3.268 -3.268 883 2HMB HEC 117 2HMB HEM 117 -1.734 -4.356 -4.356 884 3HMB HEC 117 3HMB HEM 117 -3.199 -4.940 -4.940 885 HAB HEC 117 HAB HEM 117 -3.443 -5.144 -5.144 886 1HBB HEC 117 1HBB HEM 117 -2.072 -6.782 -6.782 887 2HBB HEC 117 2HBB HEM 117 -3.220 -6.610 -6.610 888 3HBB HEC 117 3HBB HEM 117 -3.786 -7.188 -7.188 889 1HMC HEC 117 1HMC HEM 117 -2.407 -2.921 -2.921 890 2HMC HEC 117 2HMC HEM 117 -2.192 -4.221 -4.221 891 3HMC HEC 117 3HMC HEM 117 -3.311 -2.890 -2.890 892 HAC HEC 117 HAC HEM 117 -0.579 -2.022 -2.022 893 1HBC HEC 117 1HBC HEM 117 1.078 -0.994 -0.994 894 2HBC HEC 117 2HBC HEM 117 1.871 -1.253 -1.253 895 3HBC HEC 117 3HBC HEM 117 1.209 0.354 0.354 896 1HMD HEC 117 1HMD HEM 117 3.189 2.009 2.009 897 2HMD HEC 117 2HMD HEM 117 3.799 3.409 3.409 898 3HMD HEC 117 3HMD HEM 117 2.089 3.334 3.334 899 1HAD HEC 117 1HAD HEM 117 3.966 4.252 4.252 900 2HAD HEC 117 2HAD HEM 117 3.574 4.042 4.042 901 1HBD HEC 117 1HBD HEM 117 5.559 2.235 2.235 902 2HBD HEC 117 2HBD HEM 117 5.410 2.525 2.525 Start of MODEL 10 1 1H GLY 1 1H GLY 1 -7.641 -13.553 -13.553 2 2H GLY 1 2H GLY 1 -6.990 -12.694 -12.694 3 1HA GLY 1 1HA GLY 1 -7.035 -10.669 -10.669 4 2HA GLY 1 2HA GLY 1 -7.698 -11.566 -11.566 5 H ASP 2 HN ASP 2 -8.954 -12.556 -12.556 6 HA ASP 2 HA ASP 2 -11.632 -11.726 -11.726 7 1HB ASP 2 1HB ASP 2 -11.073 -13.869 -13.869 8 2HB ASP 2 2HB ASP 2 -10.658 -12.993 -12.993 9 H ALA 3 H ALA 3 -11.227 -9.448 -9.448 10 HA ALA 3 HA ALA 3 -10.513 -7.666 -7.666 11 1HB ALA 3 2HB ALA 3 -12.884 -7.417 -7.417 12 2HB ALA 3 1HB ALA 3 -12.080 -6.063 -6.063 13 3HB ALA 3 3HB ALA 3 -11.186 -7.032 -7.032 14 H ALA 4 H ALA 4 -13.629 -9.440 -9.440 15 HA ALA 4 HA ALA 4 -14.863 -7.841 -7.841 16 1HB ALA 4 2HB ALA 4 -16.169 -9.308 -9.308 17 2HB ALA 4 1HB ALA 4 -15.414 -10.742 -10.742 18 3HB ALA 4 3HB ALA 4 -16.439 -9.685 -9.685 19 H LYS 5 HN LYS 5 -13.061 -10.976 -10.976 20 HA LYS 5 HA LYS 5 -13.057 -11.199 -11.199 21 1HB LYS 5 1HB LYS 5 -11.125 -12.237 -12.237 22 2HB LYS 5 2HB LYS 5 -11.020 -12.661 -12.661 23 1HG LYS 5 2HG LYS 5 -13.546 -13.160 -13.160 24 2HG LYS 5 1HG LYS 5 -12.212 -14.318 -14.318 25 1HD LYS 5 1HD LYS 5 -12.448 -14.386 -14.386 26 2HD LYS 5 2HD LYS 5 -13.832 -13.278 -13.278 27 1HE LYS 5 2HE LYS 5 -15.034 -14.911 -14.911 28 2HE LYS 5 1HE LYS 5 -13.658 -16.024 -16.024 29 1HZ LYS 5 1HZ LYS 5 -15.283 -15.085 -15.085 30 2HZ LYS 5 3HZ LYS 5 -15.371 -16.571 -16.571 31 3HZ LYS 5 2HZ LYS 5 -14.006 -16.123 -16.123 32 H GLY 6 H GLY 6 -10.869 -9.572 -9.572 33 1HA GLY 6 1HA GLY 6 -8.883 -8.660 -8.660 34 2HA GLY 6 2HA GLY 6 -9.454 -7.792 -7.792 35 H GLU 7 HN GLU 7 -12.007 -7.076 -7.076 36 HA GLU 7 HA GLU 7 -11.785 -4.819 -4.819 37 1HB GLU 7 2HB GLU 7 -13.544 -5.196 -5.196 38 2HB GLU 7 1HB GLU 7 -14.328 -6.358 -6.358 39 1HG GLU 7 1HG GLU 7 -14.593 -4.540 -4.540 40 2HG GLU 7 2HG GLU 7 -13.930 -3.392 -3.392 41 H LYS 8 HN LYS 8 -13.182 -8.074 -8.074 42 HA LYS 8 HA LYS 8 -13.909 -7.386 -7.386 43 1HB LYS 8 2HB LYS 8 -13.199 -10.181 -10.181 44 2HB LYS 8 1HB LYS 8 -14.208 -9.695 -9.695 45 1HG LYS 8 1HG LYS 8 -14.835 -9.580 -9.580 46 2HG LYS 8 2HG LYS 8 -15.704 -10.410 -10.410 47 1HD LYS 8 2HD LYS 8 -16.448 -8.206 -8.206 48 2HD LYS 8 1HD LYS 8 -15.586 -7.376 -7.376 49 1HE LYS 8 1HE LYS 8 -16.946 -8.634 -8.634 50 2HE LYS 8 2HE LYS 8 -17.906 -9.307 -9.307 51 1HZ LYS 8 1HZ LYS 8 -18.466 -7.040 -7.040 52 2HZ LYS 8 2HZ LYS 8 -17.605 -6.460 -6.460 53 3HZ LYS 8 3HZ LYS 8 -18.937 -7.393 -7.393 54 H GLU 9 HN GLU 9 -10.982 -8.953 -8.953 55 HA GLU 9 HA GLU 9 -9.560 -9.388 -9.388 56 1HB GLU 9 2HB GLU 9 -9.027 -10.188 -10.188 57 2HB GLU 9 1HB GLU 9 -8.460 -8.565 -8.565 58 1HG GLU 9 1HG GLU 9 -6.559 -9.948 -9.948 59 2HG GLU 9 2HG GLU 9 -6.718 -8.795 -8.795 60 H PHE 10 H PHE 10 -9.800 -6.471 -6.471 61 HA PHE 10 HA PHE 10 -7.941 -4.859 -4.859 62 1HB PHE 10 2HB PHE 10 -9.324 -4.425 -4.425 63 2HB PHE 10 1HB PHE 10 -10.566 -3.782 -3.782 64 HD1 PHE 10 HD2 PHE 10 -7.108 -3.342 -3.342 65 HD2 PHE 10 HD1 PHE 10 -10.208 -1.645 -1.645 66 HE1 PHE 10 HE2 PHE 10 -5.813 -1.248 -1.248 67 HE2 PHE 10 HE1 PHE 10 -8.901 0.461 0.461 68 HZ PHE 10 HZ PHE 10 -6.695 0.656 0.656 69 H ASN 11 H ASN 11 -10.895 -6.004 -6.004 70 HA ASN 11 HA ASN 11 -11.366 -3.874 -3.874 71 1HB ASN 11 1HB ASN 11 -11.873 -6.864 -6.864 72 2HB ASN 11 2HB ASN 11 -12.143 -5.797 -5.797 73 1HD2 ASN 11 1HD2 ASN 11 -14.674 -5.470 -5.470 74 2HD2 ASN 11 2HD2 ASN 11 -13.196 -6.432 -6.432 75 H LYS 12 HN LYS 12 -8.702 -6.200 -6.200 76 HA LYS 12 HA LYS 12 -7.847 -5.557 -5.557 77 1HB LYS 12 2HB LYS 12 -6.470 -7.010 -7.010 78 2HB LYS 12 1HB LYS 12 -5.818 -6.809 -6.809 79 1HG LYS 12 2HG LYS 12 -7.903 -7.870 -7.870 80 2HG LYS 12 1HG LYS 12 -8.433 -8.224 -8.224 81 1HD LYS 12 1HD LYS 12 -5.826 -9.236 -9.236 82 2HD LYS 12 2HD LYS 12 -7.348 -10.143 -10.143 83 1HE LYS 12 2HE LYS 12 -7.351 -9.942 -9.942 84 2HE LYS 12 1HE LYS 12 -5.748 -9.188 -9.188 85 1HZ LYS 12 2HZ LYS 12 -6.422 -11.874 -11.874 86 2HZ LYS 12 3HZ LYS 12 -5.644 -11.506 -11.506 87 3HZ LYS 12 1HZ LYS 12 -4.926 -11.177 -11.177 88 H CYS 13 H CYS 13 -6.774 -4.770 -4.770 89 HA CYS 13 HA CYS 13 -4.680 -3.037 -3.037 90 1HB CYS 13 1HB CYS 13 -6.688 -2.636 -2.636 91 2HB CYS 13 2HB CYS 13 -5.018 -2.058 -2.058 92 H LYS 14 HN LYS 14 -8.170 -2.238 -2.238 93 HA LYS 14 HA LYS 14 -7.937 0.496 0.496 94 1HB LYS 14 2HB LYS 14 -10.180 0.645 0.645 95 2HB LYS 14 1HB LYS 14 -10.020 -0.927 -0.927 96 1HG LYS 14 2HG LYS 14 -10.153 -1.988 -1.988 97 2HG LYS 14 1HG LYS 14 -10.400 -0.396 -0.396 98 1HD LYS 14 2HD LYS 14 -12.417 -0.030 -0.030 99 2HD LYS 14 1HD LYS 14 -12.265 -1.643 -1.643 100 1HE LYS 14 1HE LYS 14 -12.538 -1.081 -1.081 101 2HE LYS 14 2HE LYS 14 -13.892 -1.491 -1.491 102 1HZ LYS 14 3HZ LYS 14 -11.561 -3.238 -3.238 103 2HZ LYS 14 2HZ LYS 14 -12.992 -3.373 -3.373 104 3HZ LYS 14 1HZ LYS 14 -12.956 -3.571 -3.571 105 H THR 15 H THR 15 -7.257 -1.739 -1.739 106 HA THR 15 HA THR 15 -7.810 -0.134 -0.134 107 HB THR 15 HB THR 15 -5.523 -2.119 -2.119 108 HG1 THR 15 HG1 THR 15 -7.322 -3.202 -3.202 109 1HG2 THR 15 1HG2 THR 15 -7.122 -1.244 -1.244 110 2HG2 THR 15 2HG2 THR 15 -5.927 -2.556 -2.556 111 3HG2 THR 15 3HG2 THR 15 -5.408 -0.885 -0.885 112 H CYS 16 H CYS 16 -5.294 0.048 0.048 113 HA CYS 16 HA CYS 16 -3.999 2.311 2.311 114 1HB CYS 16 1HB CYS 16 -2.806 0.341 0.341 115 2HB CYS 16 2HB CYS 16 -1.980 1.775 1.775 116 H HIS 17 HN HIS 17 -5.056 1.042 1.042 117 HA HIS 17 HA HIS 17 -4.376 3.593 3.593 118 1HB HIS 17 1HB HIS 17 -5.185 0.791 0.791 119 2HB HIS 17 2HB HIS 17 -4.964 2.147 2.147 120 HD1 HIS 17 HD1 HIS 17 -2.576 3.375 3.375 121 HD2 HIS 17 HD2 HIS 17 -2.742 -0.509 -0.509 122 HE1 HIS 17 HE1 HIS 17 -0.268 2.343 2.343 123 H SER 18 H SER 18 -5.939 4.258 4.258 124 HA SER 18 HA SER 18 -8.805 3.801 3.801 125 1HB SER 18 2HB SER 18 -9.174 6.219 6.219 126 2HB SER 18 1HB SER 18 -7.984 5.862 5.862 127 HG SER 18 HG SER 18 -6.344 6.485 6.485 128 H ILE 19 H ILE 19 -10.188 4.443 4.443 129 HA ILE 19 HA ILE 19 -8.893 4.750 4.750 130 HB ILE 19 HB ILE 19 -10.776 2.511 2.511 131 1HG1 ILE 19 1HG1 ILE 19 -8.241 2.585 2.585 132 2HG1 ILE 19 2HG1 ILE 19 -8.311 2.130 2.130 133 1HG2 ILE 19 2HG2 ILE 19 -11.744 3.653 3.653 134 2HG2 ILE 19 1HG2 ILE 19 -10.246 3.206 3.206 135 3HG2 ILE 19 3HG2 ILE 19 -11.331 1.966 1.966 136 1HD1 ILE 19 3HD1 ILE 19 -9.803 0.231 0.231 137 2HD1 ILE 19 1HD1 ILE 19 -9.573 0.606 0.606 138 3HD1 ILE 19 2HD1 ILE 19 -8.192 0.130 0.130 139 H ILE 20 H ILE 20 -9.714 6.713 6.713 140 HA ILE 20 HA ILE 20 -12.484 7.415 7.415 141 HB ILE 20 HB ILE 20 -10.514 8.337 8.337 142 1HG1 ILE 20 2HG1 ILE 20 -11.981 10.757 10.757 143 2HG1 ILE 20 1HG1 ILE 20 -13.033 9.395 9.395 144 1HG2 ILE 20 2HG2 ILE 20 -9.153 8.982 8.982 145 2HG2 ILE 20 1HG2 ILE 20 -10.232 10.351 10.351 146 3HG2 ILE 20 3HG2 ILE 20 -9.260 10.192 10.192 147 1HD1 ILE 20 3HD1 ILE 20 -10.812 10.342 10.342 148 2HD1 ILE 20 2HD1 ILE 20 -12.514 10.825 10.825 149 3HD1 ILE 20 1HD1 ILE 20 -12.055 9.117 9.117 150 H ALA 21 H ALA 21 -13.748 8.146 8.146 151 HA ALA 21 HA ALA 21 -12.765 7.933 7.933 152 1HB ALA 21 2HB ALA 21 -15.150 7.635 7.635 153 2HB ALA 21 3HB ALA 21 -15.241 9.382 9.382 154 3HB ALA 21 1HB ALA 21 -14.969 8.809 8.809 155 HA PRO 22 HA PRO 22 -11.029 11.957 11.957 156 1HB PRO 22 2HB PRO 22 -13.014 12.156 12.156 157 2HB PRO 22 1HB PRO 22 -11.265 12.523 12.523 158 1HG PRO 22 1HG PRO 22 -12.145 10.166 10.166 159 2HG PRO 22 2HG PRO 22 -10.724 10.171 10.171 160 1HD PRO 22 2HD PRO 22 -13.598 9.529 9.529 161 2HD PRO 22 1HD PRO 22 -12.106 8.649 8.649 162 H ASP 23 HN ASP 23 -14.554 11.730 11.730 163 HA ASP 23 HA ASP 23 -15.236 14.363 14.363 164 1HB ASP 23 2HB ASP 23 -16.917 11.845 11.845 165 2HB ASP 23 1HB ASP 23 -17.500 13.497 13.497 166 H GLY 24 H GLY 24 -13.658 12.342 12.342 167 1HA GLY 24 1HA GLY 24 -13.364 12.647 12.647 168 2HA GLY 24 2HA GLY 24 -14.766 13.717 13.717 169 H THR 25 H THR 25 -16.137 11.191 11.191 170 HA THR 25 HA THR 25 -17.567 10.235 10.235 171 HB THR 25 HB THR 25 -17.065 8.543 8.543 172 HG1 THR 25 HG1 THR 25 -18.464 11.011 11.011 173 1HG2 THR 25 2HG2 THR 25 -18.731 7.779 7.779 174 2HG2 THR 25 3HG2 THR 25 -19.597 9.325 9.325 175 3HG2 THR 25 1HG2 THR 25 -19.487 8.223 8.223 176 H GLU 26 HN GLU 26 -16.831 9.120 9.120 177 HA GLU 26 HA GLU 26 -14.296 7.790 7.790 178 1HB GLU 26 2HB GLU 26 -16.451 7.679 7.679 179 2HB GLU 26 1HB GLU 26 -14.705 7.431 7.431 180 1HG GLU 26 1HG GLU 26 -14.442 9.855 9.855 181 2HG GLU 26 2HG GLU 26 -16.178 10.041 10.041 182 H ILE 27 H ILE 27 -14.869 6.340 6.340 183 HA ILE 27 HA ILE 27 -16.608 4.172 4.172 184 HB ILE 27 HB ILE 27 -13.768 4.086 4.086 185 1HG1 ILE 27 1HG1 ILE 27 -14.724 5.985 5.985 186 2HG1 ILE 27 2HG1 ILE 27 -14.767 4.678 4.678 187 1HG2 ILE 27 1HG2 ILE 27 -16.223 2.438 2.438 188 2HG2 ILE 27 3HG2 ILE 27 -14.681 2.412 2.412 189 3HG2 ILE 27 2HG2 ILE 27 -14.750 1.861 1.861 190 1HD1 ILE 27 3HD1 ILE 27 -17.199 4.308 4.308 191 2HD1 ILE 27 1HD1 ILE 27 -17.133 5.719 5.719 192 3HD1 ILE 27 2HD1 ILE 27 -16.847 5.914 5.914 193 H VAL 28 H VAL 28 -13.294 4.344 4.344 194 HA VAL 28 HA VAL 28 -14.198 2.341 2.341 195 HB VAL 28 HB VAL 28 -11.376 2.314 2.314 196 1HG1 VAL 28 1HG1 VAL 28 -11.642 1.673 1.673 197 2HG1 VAL 28 2HG1 VAL 28 -12.903 0.504 0.504 198 3HG1 VAL 28 3HG1 VAL 28 -11.237 0.273 0.273 199 1HG2 VAL 28 2HG2 VAL 28 -13.704 0.399 0.399 200 2HG2 VAL 28 1HG2 VAL 28 -12.899 1.396 1.396 201 3HG2 VAL 28 3HG2 VAL 28 -12.008 0.085 0.085 202 H LYS 29 HN LYS 29 -14.555 3.716 3.716 203 HA LYS 29 HA LYS 29 -12.921 6.042 6.042 204 1HB LYS 29 2HB LYS 29 -15.370 5.889 5.889 205 2HB LYS 29 1HB LYS 29 -15.160 4.698 4.698 206 1HG LYS 29 1HG LYS 29 -13.942 6.380 6.380 207 2HG LYS 29 2HG LYS 29 -14.042 7.539 7.539 208 1HD LYS 29 1HD LYS 29 -16.522 7.518 7.518 209 2HD LYS 29 2HD LYS 29 -16.435 6.290 6.290 210 1HE LYS 29 2HE LYS 29 -16.820 8.507 8.507 211 2HE LYS 29 1HE LYS 29 -15.249 7.873 7.873 212 1HZ LYS 29 3HZ LYS 29 -15.657 9.777 9.777 213 2HZ LYS 29 1HZ LYS 29 -15.183 10.187 10.187 214 3HZ LYS 29 2HZ LYS 29 -14.208 9.257 9.257 215 H GLY 30 H GLY 30 -11.083 4.383 4.383 216 1HA GLY 30 1HA GLY 30 -10.555 2.884 2.884 217 2HA GLY 30 2HA GLY 30 -9.613 2.857 2.857 218 H ALA 31 H ALA 31 -8.107 3.142 3.142 219 HA ALA 31 HA ALA 31 -7.910 5.862 5.862 220 1HB ALA 31 3HB ALA 31 -7.278 3.840 3.840 221 2HB ALA 31 2HB ALA 31 -5.935 3.574 3.574 222 3HB ALA 31 1HB ALA 31 -5.959 5.020 5.020 223 H LYS 32 HN LYS 32 -5.553 6.812 6.812 224 HA LYS 32 HA LYS 32 -4.536 6.951 6.951 225 1HB LYS 32 1HB LYS 32 -4.629 9.206 9.206 226 2HB LYS 32 2HB LYS 32 -4.133 9.311 9.311 227 1HG LYS 32 1HG LYS 32 -6.949 8.729 8.729 228 2HG LYS 32 2HG LYS 32 -6.367 10.265 10.265 229 1HD LYS 32 1HD LYS 32 -5.929 9.222 9.222 230 2HD LYS 32 2HD LYS 32 -6.517 7.668 7.668 231 1HE LYS 32 1HE LYS 32 -8.173 10.217 10.217 232 2HE LYS 32 2HE LYS 32 -8.240 8.831 8.831 233 1HZ LYS 32 3HZ LYS 32 -8.939 7.479 7.479 234 2HZ LYS 32 2HZ LYS 32 -8.953 8.821 8.821 235 3HZ LYS 32 1HZ LYS 32 -9.985 8.710 8.710 236 H THR 33 H THR 33 -3.739 5.186 5.186 237 HA THR 33 HA THR 33 -1.300 6.215 6.215 238 HB THR 33 HB THR 33 -1.924 3.284 3.284 239 HG1 THR 33 HG1 THR 33 -3.360 3.460 3.460 240 1HG2 THR 33 2HG2 THR 33 0.138 3.979 3.979 241 2HG2 THR 33 1HG2 THR 33 -0.852 4.899 4.899 242 3HG2 THR 33 3HG2 THR 33 -0.996 3.130 3.130 243 H GLY 34 H GLY 34 -2.312 4.386 4.386 244 1HA GLY 34 1HA GLY 34 0.381 4.643 4.643 245 2HA GLY 34 2HA GLY 34 -0.783 3.354 3.354 246 HA PRO 35 HA PRO 35 -1.495 7.371 7.371 247 1HB PRO 35 1HB PRO 35 -0.819 6.366 6.366 248 2HB PRO 35 2HB PRO 35 0.302 7.178 7.178 249 1HG PRO 35 1HG PRO 35 -0.184 4.208 4.208 250 2HG PRO 35 2HG PRO 35 1.383 5.059 5.059 251 1HD PRO 35 1HD PRO 35 0.637 3.983 3.983 252 2HD PRO 35 2HD PRO 35 1.204 5.654 5.654 253 H ASN 36 H ASN 36 -2.821 7.552 7.552 254 HA ASN 36 HA ASN 36 -5.312 6.039 6.039 255 1HB ASN 36 2HB ASN 36 -5.418 8.461 8.461 256 2HB ASN 36 1HB ASN 36 -4.609 8.540 8.540 257 1HD2 ASN 36 1HD2 ASN 36 -8.583 7.469 7.469 258 2HD2 ASN 36 2HD2 ASN 36 -7.518 7.030 7.030 259 H LEU 37 H LEU 37 -4.543 3.971 3.971 260 HA LEU 37 HA LEU 37 -3.790 3.565 3.565 261 1HB LEU 37 1HB LEU 37 -5.333 2.128 2.128 262 2HB LEU 37 2HB LEU 37 -5.133 1.321 1.321 263 HG LEU 37 HG LEU 37 -2.852 1.526 1.526 264 1HD1 LEU 37 3HD2 LEU 37 -2.842 3.071 3.071 265 2HD1 LEU 37 1HD2 LEU 37 -1.426 2.175 2.175 266 3HD1 LEU 37 2HD2 LEU 37 -2.124 3.475 3.475 267 1HD2 LEU 37 2HD1 LEU 37 -3.917 0.458 0.458 268 2HD2 LEU 37 3HD1 LEU 37 -3.747 -0.445 -0.445 269 3HD2 LEU 37 1HD1 LEU 37 -2.312 0.067 0.067 270 H TYR 38 H TYR 38 -6.322 5.530 5.530 271 HA TYR 38 HA TYR 38 -8.248 4.094 4.094 272 1HB TYR 38 1HB TYR 38 -8.588 6.259 6.259 273 2HB TYR 38 2HB TYR 38 -7.619 7.068 7.068 274 HD1 TYR 38 HD1 TYR 38 -10.816 5.338 5.338 275 HD2 TYR 38 HD2 TYR 38 -8.463 7.336 7.336 276 HE1 TYR 38 HE1 TYR 38 -12.587 4.903 4.903 277 HE2 TYR 38 HE2 TYR 38 -10.212 6.896 6.896 278 HH TYR 38 HH TYR 38 -12.343 6.077 6.077 279 H GLY 39 H GLY 39 -6.875 2.826 2.826 280 1HA GLY 39 1HA GLY 39 -6.322 2.365 2.365 281 2HA GLY 39 2HA GLY 39 -6.430 4.092 4.092 282 H VAL 40 H VAL 40 -4.501 2.143 2.143 283 HA VAL 40 HA VAL 40 -2.123 3.664 3.664 284 HB VAL 40 HB VAL 40 -2.934 1.685 1.685 285 1HG1 VAL 40 2HG2 VAL 40 -2.449 -0.143 -0.143 286 2HG1 VAL 40 3HG2 VAL 40 -0.737 0.358 0.358 287 3HG1 VAL 40 1HG2 VAL 40 -1.478 -0.256 -0.256 288 1HG2 VAL 40 3HG1 VAL 40 -1.224 3.362 3.362 289 2HG2 VAL 40 1HG1 VAL 40 -0.711 1.742 1.742 290 3HG2 VAL 40 2HG1 VAL 40 -0.040 2.466 2.466 291 H VAL 41 H VAL 41 -3.456 1.016 1.016 292 HA VAL 41 HA VAL 41 -1.198 0.170 0.170 293 HB VAL 41 HB VAL 41 -4.121 0.287 0.287 294 1HG1 VAL 41 2HG1 VAL 41 -1.798 -1.166 -1.166 295 2HG1 VAL 41 1HG1 VAL 41 -3.516 -1.464 -1.464 296 3HG1 VAL 41 3HG1 VAL 41 -2.809 0.108 0.108 297 1HG2 VAL 41 3HG2 VAL 41 -3.556 -1.157 -1.157 298 2HG2 VAL 41 2HG2 VAL 41 -4.045 -2.127 -2.127 299 3HG2 VAL 41 1HG2 VAL 41 -2.334 -1.984 -1.984 300 H GLY 42 H GLY 42 0.148 1.206 1.206 301 1HA GLY 42 1HA GLY 42 0.780 2.406 2.406 302 2HA GLY 42 2HA GLY 42 -0.758 3.276 3.276 303 H ARG 43 HN ARG 43 -0.130 3.607 3.607 304 HA ARG 43 HA ARG 43 0.995 6.249 6.249 305 1HB ARG 43 1HB ARG 43 -0.753 5.226 5.226 306 2HB ARG 43 2HB ARG 43 0.745 5.274 5.274 307 1HG ARG 43 1HG ARG 43 -0.488 7.335 7.335 308 2HG ARG 43 2HG ARG 43 1.007 7.697 7.697 309 1HD ARG 43 2HD ARG 43 -1.165 8.847 8.847 310 2HD ARG 43 1HD ARG 43 -0.154 8.150 8.150 311 HE ARG 43 HE ARG 43 -2.606 6.875 6.875 312 1HH1 ARG 43 1HH1 ARG 43 -0.617 7.343 7.343 313 2HH1 ARG 43 2HH1 ARG 43 -1.390 6.038 6.038 314 1HH2 ARG 43 1HH2 ARG 43 -3.454 5.144 5.144 315 2HH2 ARG 43 2HH2 ARG 43 -2.877 4.617 4.617 316 H THR 44 H THR 44 3.055 6.984 6.984 317 HA THR 44 HA THR 44 5.186 5.144 5.144 318 HB THR 44 HB THR 44 5.217 8.066 8.066 319 HG1 THR 44 HG1 THR 44 5.587 8.379 8.379 320 1HG2 THR 44 1HG2 THR 44 7.336 6.229 6.229 321 2HG2 THR 44 3HG2 THR 44 7.527 7.968 7.968 322 3HG2 THR 44 2HG2 THR 44 7.323 6.856 6.856 323 H ALA 45 H ALA 45 6.232 4.205 4.205 324 HA ALA 45 HA ALA 45 4.818 4.140 4.140 325 1HB ALA 45 2HB ALA 45 7.729 3.468 3.468 326 2HB ALA 45 1HB ALA 45 6.914 3.144 3.144 327 3HB ALA 45 3HB ALA 45 6.332 2.359 2.359 328 H GLY 46 H GLY 46 4.974 5.268 5.268 329 1HA GLY 46 1HA GLY 46 5.515 6.950 6.950 330 2HA GLY 46 2HA GLY 46 7.041 7.152 7.152 331 H THR 47 H THR 47 3.936 7.573 7.573 332 HA THR 47 HA THR 47 4.276 10.549 10.549 333 HB THR 47 HB THR 47 3.906 10.856 10.856 334 HG1 THR 47 HG1 THR 47 3.754 8.030 8.030 335 1HG2 THR 47 3HG2 THR 47 6.251 10.447 10.447 336 2HG2 THR 47 2HG2 THR 47 6.083 8.748 8.748 337 3HG2 THR 47 1HG2 THR 47 5.970 10.036 10.036 338 H TYR 48 H TYR 48 1.967 8.140 8.140 339 HA TYR 48 HA TYR 48 -0.264 9.472 9.472 340 1HB TYR 48 1HB TYR 48 -0.094 7.074 7.074 341 2HB TYR 48 2HB TYR 48 -0.625 7.908 7.908 342 HD1 TYR 48 HD1 TYR 48 -2.728 9.499 9.499 343 HD2 TYR 48 HD2 TYR 48 -1.734 6.267 6.267 344 HE1 TYR 48 HE1 TYR 48 -4.926 9.741 9.741 345 HE2 TYR 48 HE2 TYR 48 -3.939 6.490 6.490 346 HH TYR 48 HH TYR 48 -6.003 7.551 7.551 347 HA PRO 49 HA PRO 49 0.305 13.071 13.071 348 1HB PRO 49 1HB PRO 49 -2.175 14.342 14.342 349 2HB PRO 49 2HB PRO 49 -0.870 14.365 14.365 350 1HG PRO 49 1HG PRO 49 -3.249 12.496 12.496 351 2HG PRO 49 2HG PRO 49 -2.665 13.434 13.434 352 1HD PRO 49 1HD PRO 49 -2.004 10.860 10.860 353 2HD PRO 49 2HD PRO 49 -0.730 12.018 12.018 354 H GLU 50 HN GLU 50 -0.409 14.207 14.207 355 HA GLU 50 HA GLU 50 -0.888 14.328 14.328 356 1HB GLU 50 1HB GLU 50 -3.339 12.654 12.654 357 2HB GLU 50 2HB GLU 50 -3.101 13.622 13.622 358 1HG GLU 50 2HG GLU 50 -2.952 15.686 15.686 359 2HG GLU 50 1HG GLU 50 -3.239 14.724 14.724 360 H PHE 51 H PHE 51 1.152 12.704 12.704 361 HA PHE 51 HA PHE 51 0.801 11.074 11.074 362 1HB PHE 51 1HB PHE 51 -0.087 9.571 9.571 363 2HB PHE 51 2HB PHE 51 1.553 9.547 9.547 364 HD1 PHE 51 HD2 PHE 51 -0.574 8.826 8.826 365 HD2 PHE 51 HD1 PHE 51 3.334 8.344 8.344 366 HE1 PHE 51 HE2 PHE 51 0.106 7.429 7.429 367 HE2 PHE 51 HE1 PHE 51 4.000 6.898 6.898 368 HZ PHE 51 HZ PHE 51 2.333 6.333 6.333 369 H LYS 52 HN LYS 52 2.570 11.368 11.368 370 HA LYS 52 HA LYS 52 5.057 12.290 12.290 371 1HB LYS 52 1HB LYS 52 4.420 13.161 13.161 372 2HB LYS 52 2HB LYS 52 4.260 11.543 11.543 373 1HG LYS 52 2HG LYS 52 6.313 12.738 12.738 374 2HG LYS 52 1HG LYS 52 6.625 11.178 11.178 375 1HD LYS 52 2HD LYS 52 7.223 12.370 12.370 376 2HD LYS 52 1HD LYS 52 6.920 13.913 13.913 377 1HE LYS 52 1HE LYS 52 9.304 13.422 13.422 378 2HE LYS 52 2HE LYS 52 8.750 13.338 13.338 379 1HZ LYS 52 2HZ LYS 52 9.093 11.015 11.015 380 2HZ LYS 52 3HZ LYS 52 10.198 11.514 11.514 381 3HZ LYS 52 1HZ LYS 52 8.719 10.973 10.973 382 H TYR 53 H TYR 53 5.536 10.593 10.593 383 HA TYR 53 HA TYR 53 5.928 7.888 7.888 384 1HB TYR 53 1HB TYR 53 7.143 9.521 9.521 385 2HB TYR 53 2HB TYR 53 7.278 7.769 7.769 386 HD1 TYR 53 HD1 TYR 53 5.201 6.331 6.331 387 HD2 TYR 53 HD2 TYR 53 5.189 10.458 10.458 388 HE1 TYR 53 HE1 TYR 53 3.122 5.949 5.949 389 HE2 TYR 53 HE2 TYR 53 3.021 10.114 10.114 390 HH TYR 53 HH TYR 53 1.234 8.678 8.678 391 H LYS 54 HN LYS 54 8.015 6.703 6.703 392 HA LYS 54 HA LYS 54 10.163 8.062 8.062 393 1HB LYS 54 1HB LYS 54 9.882 5.102 5.102 394 2HB LYS 54 2HB LYS 54 10.885 5.901 5.901 395 1HG LYS 54 2HG LYS 54 7.850 5.720 5.720 396 2HG LYS 54 1HG LYS 54 8.935 4.877 4.877 397 1HD LYS 54 1HD LYS 54 9.586 6.978 6.978 398 2HD LYS 54 2HD LYS 54 8.630 7.929 7.929 399 1HE LYS 54 2HE LYS 54 7.446 5.879 5.879 400 2HE LYS 54 1HE LYS 54 7.484 7.630 7.630 401 1HZ LYS 54 2HZ LYS 54 6.181 7.919 7.919 402 2HZ LYS 54 1HZ LYS 54 6.126 6.291 6.291 403 3HZ LYS 54 3HZ LYS 54 5.408 6.949 6.949 404 H ASP 55 HN ASP 55 12.331 7.719 7.719 405 HA ASP 55 HA ASP 55 13.065 8.571 8.571 406 1HB ASP 55 2HB ASP 55 14.532 8.689 8.689 407 2HB ASP 55 1HB ASP 55 14.631 6.921 6.921 408 H SER 56 H SER 56 12.787 5.121 5.121 409 HA SER 56 HA SER 56 14.312 4.123 4.123 410 1HB SER 56 1HB SER 56 12.225 2.659 2.659 411 2HB SER 56 2HB SER 56 13.625 1.985 1.985 412 HG SER 56 HG SER 56 14.891 3.424 3.424 413 H ILE 57 H ILE 57 10.785 4.239 4.239 414 HA ILE 57 HA ILE 57 10.096 3.115 3.115 415 HB ILE 57 HB ILE 57 8.864 3.304 3.304 416 1HG1 ILE 57 1HG1 ILE 57 7.225 3.529 3.529 417 2HG1 ILE 57 2HG1 ILE 57 8.169 2.090 2.090 418 1HG2 ILE 57 1HG2 ILE 57 8.580 5.740 5.740 419 2HG2 ILE 57 2HG2 ILE 57 7.588 5.679 5.679 420 3HG2 ILE 57 3HG2 ILE 57 7.030 4.920 4.920 421 1HD1 ILE 57 1HD1 ILE 57 6.887 1.845 1.845 422 2HD1 ILE 57 2HD1 ILE 57 5.815 3.163 3.163 423 3HD1 ILE 57 3HD1 ILE 57 5.930 1.662 1.662 424 H VAL 58 H VAL 58 10.496 6.483 6.483 425 HA VAL 58 HA VAL 58 9.592 7.720 7.720 426 HB VAL 58 HB VAL 58 11.642 8.574 8.574 427 1HG1 VAL 58 3HG2 VAL 58 10.488 10.173 10.173 428 2HG1 VAL 58 1HG2 VAL 58 11.365 10.870 10.870 429 3HG1 VAL 58 2HG2 VAL 58 12.201 9.780 9.780 430 1HG2 VAL 58 1HG1 VAL 58 9.243 8.378 8.378 431 2HG2 VAL 58 3HG1 VAL 58 9.827 10.047 10.047 432 3HG2 VAL 58 2HG1 VAL 58 8.784 9.496 9.496 433 H ALA 59 H ALA 59 12.900 6.591 6.591 434 HA ALA 59 HA ALA 59 14.146 7.234 7.234 435 1HB ALA 59 1HB ALA 59 15.384 6.683 6.683 436 2HB ALA 59 2HB ALA 59 14.798 5.010 5.010 437 3HB ALA 59 3HB ALA 59 15.880 5.622 5.622 438 H LEU 60 H LEU 60 12.513 4.210 4.210 439 HA LEU 60 HA LEU 60 13.006 2.666 2.666 440 1HB LEU 60 1HB LEU 60 11.738 2.158 2.158 441 2HB LEU 60 2HB LEU 60 10.308 2.672 2.672 442 HG LEU 60 HG LEU 60 11.895 0.153 0.153 443 1HD1 LEU 60 1HD1 LEU 60 9.600 0.379 0.379 444 2HD1 LEU 60 2HD1 LEU 60 8.999 0.819 0.819 445 3HD1 LEU 60 3HD1 LEU 60 9.681 -0.795 -0.795 446 1HD2 LEU 60 2HD2 LEU 60 10.686 1.284 1.284 447 2HD2 LEU 60 3HD2 LEU 60 12.383 0.806 0.806 448 3HD2 LEU 60 1HD2 LEU 60 11.109 -0.417 -0.417 449 H GLY 61 H GLY 61 10.296 4.938 4.938 450 1HA GLY 61 1HA GLY 61 8.948 4.870 4.870 451 2HA GLY 61 2HA GLY 61 9.045 6.248 6.248 452 H ALA 62 H ALA 62 11.468 7.140 7.140 453 HA ALA 62 HA ALA 62 11.738 8.702 8.702 454 1HB ALA 62 3HB ALA 62 12.687 9.247 9.247 455 2HB ALA 62 1HB ALA 62 13.910 7.973 7.973 456 3HB ALA 62 2HB ALA 62 13.888 9.381 9.381 457 H SER 63 H SER 63 13.008 5.452 5.452 458 HA SER 63 HA SER 63 14.875 5.469 5.469 459 1HB SER 63 1HB SER 63 13.542 3.067 3.067 460 2HB SER 63 2HB SER 63 15.046 3.108 3.108 461 HG SER 63 HG SER 63 14.597 4.484 4.484 462 H GLY 64 H GLY 64 11.578 5.858 5.858 463 1HA GLY 64 1HA GLY 64 10.307 6.021 6.021 464 2HA GLY 64 2HA GLY 64 11.454 5.015 5.015 465 H PHE 65 H PHE 65 9.907 4.383 4.383 466 HA PHE 65 HA PHE 65 8.959 1.775 1.775 467 1HB PHE 65 2HB PHE 65 10.519 1.835 1.835 468 2HB PHE 65 1HB PHE 65 9.306 2.680 2.680 469 HD1 PHE 65 HD2 PHE 65 10.165 -0.533 -0.533 470 HD2 PHE 65 HD1 PHE 65 7.326 1.518 1.518 471 HE1 PHE 65 HE2 PHE 65 9.262 -2.714 -2.714 472 HE2 PHE 65 HE1 PHE 65 6.525 -0.653 -0.653 473 HZ PHE 65 HZ PHE 65 7.535 -2.766 -2.766 474 H ALA 66 H ALA 66 6.971 1.933 1.933 475 HA ALA 66 HA ALA 66 4.785 3.382 3.382 476 1HB ALA 66 3HB ALA 66 4.899 2.019 2.019 477 2HB ALA 66 2HB ALA 66 3.511 2.897 2.897 478 3HB ALA 66 1HB ALA 66 5.011 3.769 3.769 479 H TRP 67 H TRP 67 3.363 2.241 2.241 480 HA TRP 67 HA TRP 67 3.848 -0.496 -0.496 481 1HB TRP 67 2HB TRP 67 1.577 1.424 1.424 482 2HB TRP 67 1HB TRP 67 1.458 -0.274 -0.274 483 HD1 TRP 67 HD1 TRP 67 2.466 2.833 2.833 484 HE1 TRP 67 HE1 TRP 67 3.899 2.419 2.419 485 HE3 TRP 67 HE3 TRP 67 3.568 -2.123 -2.123 486 HZ2 TRP 67 HZ2 TRP 67 5.371 0.291 0.291 487 HZ3 TRP 67 HZ3 TRP 67 5.003 -3.307 -3.307 488 HH2 TRP 67 HH2 TRP 67 5.978 -2.091 -2.091 489 H THR 68 H THR 68 3.598 -2.128 -2.128 490 HA THR 68 HA THR 68 1.276 -2.185 -2.185 491 HB THR 68 HB THR 68 2.296 -4.189 -4.189 492 HG1 THR 68 HG1 THR 68 4.575 -3.940 -3.940 493 1HG2 THR 68 1HG2 THR 68 3.125 -2.032 -2.032 494 2HG2 THR 68 2HG2 THR 68 4.437 -2.057 -2.057 495 3HG2 THR 68 3HG2 THR 68 4.360 -3.311 -3.311 496 H GLU 69 HN GLU 69 -0.054 -4.158 -4.158 497 HA GLU 69 HA GLU 69 -1.128 -4.902 -4.902 498 1HB GLU 69 2HB GLU 69 -2.239 -6.707 -6.707 499 2HB GLU 69 1HB GLU 69 -2.220 -5.166 -5.166 500 1HG GLU 69 1HG GLU 69 -0.296 -6.014 -6.014 501 2HG GLU 69 2HG GLU 69 -0.485 -7.588 -7.588 502 H GLU 70 HN GLU 70 1.420 -6.395 -6.395 503 HA GLU 70 HA GLU 70 1.693 -8.762 -8.762 504 1HB GLU 70 1HB GLU 70 3.714 -9.231 -9.231 505 2HB GLU 70 2HB GLU 70 2.314 -8.866 -8.866 506 1HG GLU 70 1HG GLU 70 3.189 -6.599 -6.599 507 2HG GLU 70 2HG GLU 70 4.628 -6.964 -6.964 508 H ASP 71 HN ASP 71 3.499 -5.659 -5.659 509 HA ASP 71 HA ASP 71 5.399 -6.249 -6.249 510 1HB ASP 71 2HB ASP 71 4.151 -3.658 -3.658 511 2HB ASP 71 1HB ASP 71 5.318 -3.686 -3.686 512 H ILE 72 H ILE 72 2.144 -4.653 -4.653 513 HA ILE 72 HA ILE 72 2.240 -4.364 -4.364 514 HB ILE 72 HB ILE 72 -0.169 -4.933 -4.933 515 1HG1 ILE 72 1HG1 ILE 72 0.795 -2.223 -2.223 516 2HG1 ILE 72 2HG1 ILE 72 1.344 -2.861 -2.861 517 1HG2 ILE 72 3HG2 ILE 72 0.052 -3.709 -3.709 518 2HG2 ILE 72 1HG2 ILE 72 -1.433 -3.755 -3.755 519 3HG2 ILE 72 2HG2 ILE 72 -0.713 -5.257 -5.257 520 1HD1 ILE 72 1HD1 ILE 72 -0.981 -3.183 -3.183 521 2HD1 ILE 72 3HD1 ILE 72 -1.571 -2.357 -2.357 522 3HD1 ILE 72 2HD1 ILE 72 -0.551 -1.494 -1.494 523 H ALA 73 H ALA 73 0.783 -7.036 -7.036 524 HA ALA 73 HA ALA 73 -0.048 -8.660 -8.660 525 1HB ALA 73 2HB ALA 73 -0.678 -9.022 -9.022 526 2HB ALA 73 3HB ALA 73 0.988 -9.510 -9.510 527 3HB ALA 73 1HB ALA 73 0.001 -10.500 -10.500 528 H THR 74 H THR 74 3.206 -8.406 -8.406 529 HA THR 74 HA THR 74 4.287 -10.627 -10.627 530 HB THR 74 HB THR 74 5.699 -8.328 -8.328 531 HG1 THR 74 HG1 THR 74 4.431 -9.476 -9.476 532 1HG2 THR 74 2HG2 THR 74 6.675 -11.098 -11.098 533 2HG2 THR 74 3HG2 THR 74 7.597 -9.914 -9.914 534 3HG2 THR 74 1HG2 THR 74 7.180 -9.563 -9.563 535 H TYR 75 H TYR 75 4.824 -7.099 -7.099 536 HA TYR 75 HA TYR 75 6.335 -6.697 -6.697 537 1HB TYR 75 1HB TYR 75 5.601 -4.910 -4.910 538 2HB TYR 75 2HB TYR 75 3.905 -5.194 -5.194 539 HD1 TYR 75 HD1 TYR 75 7.038 -4.599 -4.599 540 HD2 TYR 75 HD2 TYR 75 2.924 -3.541 -3.541 541 HE1 TYR 75 HE1 TYR 75 7.240 -2.719 -2.719 542 HE2 TYR 75 HE2 TYR 75 3.122 -1.715 -1.715 543 HH TYR 75 HH TYR 75 4.524 -0.521 -0.521 544 H VAL 76 H VAL 76 2.743 -7.000 -7.000 545 HA VAL 76 HA VAL 76 2.590 -6.494 -6.494 546 HB VAL 76 HB VAL 76 0.571 -7.922 -7.922 547 1HG1 VAL 76 1HG1 VAL 76 0.462 -5.508 -5.508 548 2HG1 VAL 76 2HG1 VAL 76 0.784 -5.839 -5.839 549 3HG1 VAL 76 3HG1 VAL 76 -0.723 -6.398 -6.398 550 1HG2 VAL 76 1HG2 VAL 76 1.161 -9.601 -9.601 551 2HG2 VAL 76 3HG2 VAL 76 -0.361 -8.795 -8.795 552 3HG2 VAL 76 2HG2 VAL 76 1.113 -8.367 -8.367 553 H LYS 77 HN LYS 77 3.649 -9.496 -9.496 554 HA LYS 77 HA LYS 77 3.605 -11.069 -11.069 555 1HB LYS 77 2HB LYS 77 5.155 -11.474 -11.474 556 2HB LYS 77 1HB LYS 77 4.963 -12.657 -12.657 557 1HG LYS 77 1HG LYS 77 2.506 -12.632 -12.632 558 2HG LYS 77 2HG LYS 77 2.684 -11.545 -11.545 559 1HD LYS 77 1HD LYS 77 4.052 -14.276 -14.276 560 2HD LYS 77 2HD LYS 77 2.464 -14.026 -14.026 561 1HE LYS 77 1HE LYS 77 3.437 -12.397 -12.397 562 2HE LYS 77 2HE LYS 77 5.052 -12.699 -12.699 563 1HZ LYS 77 3HZ LYS 77 3.329 -14.694 -14.694 564 2HZ LYS 77 1HZ LYS 77 4.659 -13.981 -13.981 565 3HZ LYS 77 2HZ LYS 77 4.823 -14.983 -14.983 566 H ASP 78 HN ASP 78 5.961 -8.873 -8.873 567 HA ASP 78 HA ASP 78 7.911 -9.493 -9.493 568 1HB ASP 78 2HB ASP 78 9.692 -9.657 -9.657 569 2HB ASP 78 1HB ASP 78 8.485 -10.892 -10.892 570 HA PRO 79 HA PRO 79 7.688 -4.914 -4.914 571 1HB PRO 79 1HB PRO 79 6.901 -4.861 -4.861 572 2HB PRO 79 2HB PRO 79 6.441 -3.718 -3.718 573 1HG PRO 79 2HG PRO 79 4.672 -5.607 -5.607 574 2HG PRO 79 1HG PRO 79 4.998 -5.362 -5.362 575 1HD PRO 79 2HD PRO 79 6.257 -7.435 -7.435 576 2HD PRO 79 1HD PRO 79 5.391 -7.668 -7.668 577 H GLY 80 H GLY 80 9.471 -3.660 -3.660 578 1HA GLY 80 1HA GLY 80 11.425 -2.925 -2.925 579 2HA GLY 80 2HA GLY 80 11.330 -4.282 -4.282 580 H ALA 81 H ALA 81 11.364 -6.503 -6.503 581 HA ALA 81 HA ALA 81 13.941 -6.835 -6.835 582 1HB ALA 81 2HB ALA 81 11.491 -8.620 -8.620 583 2HB ALA 81 3HB ALA 81 13.134 -9.106 -9.106 584 3HB ALA 81 1HB ALA 81 12.782 -8.668 -8.668 585 H PHE 82 H PHE 82 10.679 -6.631 -6.631 586 HA PHE 82 HA PHE 82 11.263 -6.832 -6.832 587 1HB PHE 82 1HB PHE 82 9.025 -6.598 -6.598 588 2HB PHE 82 2HB PHE 82 9.331 -4.897 -4.897 589 HD1 PHE 82 HD1 PHE 82 8.802 -7.548 -7.548 590 HD2 PHE 82 HD2 PHE 82 8.995 -3.297 -3.297 591 HE1 PHE 82 HE1 PHE 82 7.661 -7.117 -7.117 592 HE2 PHE 82 HE2 PHE 82 7.798 -2.881 -2.881 593 HZ PHE 82 HZ PHE 82 7.073 -4.816 -4.816 594 H LEU 83 H LEU 83 11.289 -3.812 -3.812 595 HA LEU 83 HA LEU 83 12.150 -2.074 -2.074 596 1HB LEU 83 1HB LEU 83 12.469 -1.842 -1.842 597 2HB LEU 83 2HB LEU 83 12.943 -0.640 -0.640 598 HG LEU 83 HG LEU 83 10.406 -0.971 -0.971 599 1HD1 LEU 83 1HD2 LEU 83 10.281 -1.458 -1.458 600 2HD1 LEU 83 2HD2 LEU 83 8.907 -1.072 -1.072 601 3HD1 LEU 83 3HD2 LEU 83 9.776 -2.600 -2.600 602 1HD2 LEU 83 2HD1 LEU 83 11.311 0.742 0.742 603 2HD2 LEU 83 3HD1 LEU 83 11.477 1.166 1.166 604 3HD2 LEU 83 1HD1 LEU 83 9.868 1.042 1.042 605 H LYS 84 HN LYS 84 13.974 -3.680 -3.680 606 HA LYS 84 HA LYS 84 16.557 -2.834 -2.834 607 1HB LYS 84 2HB LYS 84 15.608 -5.520 -5.520 608 2HB LYS 84 1HB LYS 84 17.313 -5.056 -5.056 609 1HG LYS 84 1HG LYS 84 17.061 -3.243 -3.243 610 2HG LYS 84 2HG LYS 84 15.296 -3.340 -3.340 611 1HD LYS 84 1HD LYS 84 16.131 -4.156 -4.156 612 2HD LYS 84 2HD LYS 84 15.268 -5.421 -5.421 613 1HE LYS 84 2HE LYS 84 18.313 -5.153 -5.153 614 2HE LYS 84 1HE LYS 84 17.505 -6.009 -6.009 615 1HZ LYS 84 3HZ LYS 84 16.515 -7.473 -7.473 616 2HZ LYS 84 2HZ LYS 84 17.260 -6.715 -6.715 617 3HZ LYS 84 1HZ LYS 84 18.157 -7.506 -7.506 618 H GLU 85 HN GLU 85 14.802 -5.647 -5.647 619 HA GLU 85 HA GLU 85 16.827 -6.431 -6.431 620 1HB GLU 85 1HB GLU 85 14.916 -7.848 -7.848 621 2HB GLU 85 2HB GLU 85 13.800 -6.791 -6.791 622 1HG GLU 85 1HG GLU 85 15.087 -7.327 -7.327 623 2HG GLU 85 2HG GLU 85 16.008 -8.512 -8.512 624 H LYS 86 HN LYS 86 13.735 -4.655 -4.655 625 HA LYS 86 HA LYS 86 14.356 -4.176 -4.176 626 1HB LYS 86 1HB LYS 86 12.644 -2.615 -2.615 627 2HB LYS 86 2HB LYS 86 12.555 -2.437 -2.437 628 1HG LYS 86 2HG LYS 86 12.139 -5.148 -5.148 629 2HG LYS 86 1HG LYS 86 10.861 -3.980 -3.980 630 1HD LYS 86 1HD LYS 86 11.375 -3.995 -3.995 631 2HD LYS 86 2HD LYS 86 12.517 -5.311 -5.311 632 1HE LYS 86 2HE LYS 86 9.507 -5.337 -5.337 633 2HE LYS 86 1HE LYS 86 10.402 -6.236 -6.236 634 1HZ LYS 86 2HZ LYS 86 11.513 -7.416 -7.416 635 2HZ LYS 86 3HZ LYS 86 10.562 -6.620 -6.620 636 3HZ LYS 86 1HZ LYS 86 9.880 -7.640 -7.640 637 H LEU 87 H LEU 87 15.105 -2.117 -2.117 638 HA LEU 87 HA LEU 87 16.263 -0.038 -0.038 639 1HB LEU 87 1HB LEU 87 14.863 0.419 0.419 640 2HB LEU 87 2HB LEU 87 16.121 -0.326 -0.326 641 HG LEU 87 HG LEU 87 17.691 1.473 1.473 642 1HD1 LEU 87 2HD2 LEU 87 15.403 2.606 2.606 643 2HD1 LEU 87 1HD2 LEU 87 16.869 3.495 3.495 644 3HD1 LEU 87 3HD2 LEU 87 16.994 2.087 2.087 645 1HD2 LEU 87 1HD1 LEU 87 16.159 1.698 1.698 646 2HD2 LEU 87 2HD1 LEU 87 16.545 3.266 3.266 647 3HD2 LEU 87 3HD1 LEU 87 14.968 2.507 2.507 648 H ASP 88 HN ASP 88 17.377 -3.008 -3.008 649 HA ASP 88 HA ASP 88 19.352 -3.930 -3.930 650 1HB ASP 88 1HB ASP 88 19.660 -3.445 -3.445 651 2HB ASP 88 2HB ASP 88 20.333 -1.855 -1.855 652 H ASP 89 HN ASP 89 18.747 -2.708 -2.708 653 HA ASP 89 HA ASP 89 21.127 -1.226 -1.226 654 1HB ASP 89 2HB ASP 89 19.622 0.529 0.529 655 2HB ASP 89 1HB ASP 89 18.282 -0.159 -0.159 656 H LYS 90 HN LYS 90 21.129 -1.031 -1.031 657 HA LYS 90 HA LYS 90 20.077 -3.434 -3.434 658 1HB LYS 90 1HB LYS 90 22.655 -2.331 -2.331 659 2HB LYS 90 2HB LYS 90 22.105 -1.620 -1.620 660 1HG LYS 90 1HG LYS 90 23.201 -3.597 -3.597 661 2HG LYS 90 2HG LYS 90 21.477 -3.977 -3.977 662 1HD LYS 90 1HD LYS 90 21.596 -5.064 -5.064 663 2HD LYS 90 2HD LYS 90 23.332 -4.744 -4.744 664 1HE LYS 90 1HE LYS 90 21.849 -6.471 -6.471 665 2HE LYS 90 2HE LYS 90 22.797 -7.071 -7.071 666 1HZ LYS 90 3HZ LYS 90 24.728 -6.033 -6.033 667 2HZ LYS 90 1HZ LYS 90 23.850 -5.512 -5.512 668 3HZ LYS 90 2HZ LYS 90 24.060 -7.124 -7.124 669 H LYS 91 HN LYS 91 20.668 0.047 0.047 670 HA LYS 91 HA LYS 91 19.182 0.540 0.540 671 1HB LYS 91 2HB LYS 91 21.243 1.766 1.766 672 2HB LYS 91 1HB LYS 91 20.113 2.511 2.511 673 1HG LYS 91 2HG LYS 91 18.832 3.192 3.192 674 2HG LYS 91 1HG LYS 91 20.378 2.793 2.793 675 1HD LYS 91 2HD LYS 91 20.350 5.152 5.152 676 2HD LYS 91 1HD LYS 91 21.511 4.405 4.405 677 1HE LYS 91 1HE LYS 91 20.064 6.203 6.203 678 2HE LYS 91 2HE LYS 91 19.986 4.666 4.666 679 1HZ LYS 91 3HZ LYS 91 18.004 5.572 5.572 680 2HZ LYS 91 1HZ LYS 91 17.830 5.682 5.682 681 3HZ LYS 91 2HZ LYS 91 17.931 4.201 4.201 682 H ALA 92 H ALA 92 17.435 -0.801 -0.801 683 HA ALA 92 HA ALA 92 15.534 1.325 1.325 684 1HB ALA 92 3HB ALA 92 16.080 -1.341 -1.341 685 2HB ALA 92 1HB ALA 92 14.752 -0.250 -0.250 686 3HB ALA 92 2HB ALA 92 16.433 0.261 0.261 687 H LYS 93 HN LYS 93 13.798 1.386 1.386 688 HA LYS 93 HA LYS 93 12.458 -1.100 -1.100 689 1HB LYS 93 2HB LYS 93 12.385 -0.411 -0.411 690 2HB LYS 93 1HB LYS 93 13.992 -0.902 -0.902 691 1HG LYS 93 1HG LYS 93 14.684 1.462 1.462 692 2HG LYS 93 2HG LYS 93 13.066 1.996 1.996 693 1HD LYS 93 2HD LYS 93 13.349 0.839 0.839 694 2HD LYS 93 1HD LYS 93 14.966 0.298 0.298 695 1HE LYS 93 2HE LYS 93 15.689 2.674 2.674 696 2HE LYS 93 1HE LYS 93 14.074 3.210 3.210 697 1HZ LYS 93 1HZ LYS 93 14.425 2.103 2.103 698 2HZ LYS 93 3HZ LYS 93 15.926 1.608 1.608 699 3HZ LYS 93 2HZ LYS 93 15.610 3.213 3.213 700 H THR 94 H THR 94 10.170 -0.709 -0.709 701 HA THR 94 HA THR 94 9.296 2.004 2.004 702 HB THR 94 HB THR 94 8.684 0.366 0.366 703 HG1 THR 94 HG1 THR 94 7.114 1.863 1.863 704 1HG2 THR 94 1HG2 THR 94 7.481 -1.289 -1.289 705 2HG2 THR 94 2HG2 THR 94 7.248 -1.569 -1.569 706 3HG2 THR 94 3HG2 THR 94 8.855 -1.757 -1.757 707 H GLY 95 H GLY 95 7.449 2.785 2.785 708 1HA GLY 95 1HA GLY 95 7.481 2.451 2.451 709 2HA GLY 95 2HA GLY 95 6.194 3.214 3.214 710 H MET 96 H MET 96 5.836 0.627 0.627 711 HA MET 96 HA MET 96 3.746 -0.418 -0.418 712 1HB MET 96 2HB MET 96 4.036 -0.424 -0.424 713 2HB MET 96 1HB MET 96 5.084 -1.813 -1.813 714 1HG MET 96 1HG MET 96 3.449 -3.235 -3.235 715 2HG MET 96 2HG MET 96 2.461 -1.948 -1.948 716 1HE MET 96 1HE MET 96 3.714 -2.834 -2.834 717 2HE MET 96 2HE MET 96 2.952 -4.333 -4.333 718 3HE MET 96 3HE MET 96 2.164 -3.402 -3.402 719 H ALA 97 H ALA 97 4.825 -0.864 -0.864 720 HA ALA 97 HA ALA 97 6.339 -3.333 -3.333 721 1HB ALA 97 3HB ALA 97 6.527 -1.473 -1.473 722 2HB ALA 97 1HB ALA 97 4.818 -1.667 -1.667 723 3HB ALA 97 2HB ALA 97 5.985 -2.959 -2.959 724 H PHE 98 H PHE 98 4.483 -4.212 -4.212 725 HA PHE 98 HA PHE 98 2.842 -6.102 -6.102 726 1HB PHE 98 2HB PHE 98 1.243 -4.347 -4.347 727 2HB PHE 98 1HB PHE 98 1.745 -3.688 -3.688 728 HD1 PHE 98 HD1 PHE 98 -0.272 -6.388 -6.388 729 HD2 PHE 98 HD2 PHE 98 1.003 -4.561 -4.561 730 HE1 PHE 98 HE1 PHE 98 -1.989 -7.671 -7.671 731 HE2 PHE 98 HE2 PHE 98 -0.657 -5.881 -5.881 732 HZ PHE 98 HZ PHE 98 -2.234 -7.386 -7.386 733 H LYS 99 HN LYS 99 2.148 -7.753 -7.753 734 HA LYS 99 HA LYS 99 2.970 -7.502 -7.502 735 1HB LYS 99 2HB LYS 99 3.967 -9.992 -9.992 736 2HB LYS 99 1HB LYS 99 4.440 -9.292 -9.292 737 1HG LYS 99 1HG LYS 99 5.534 -7.405 -7.405 738 2HG LYS 99 2HG LYS 99 5.231 -8.384 -8.384 739 1HD LYS 99 2HD LYS 99 6.525 -10.254 -10.254 740 2HD LYS 99 1HD LYS 99 6.824 -9.360 -9.360 741 1HE LYS 99 2HE LYS 99 7.771 -8.553 -8.553 742 2HE LYS 99 1HE LYS 99 8.772 -9.280 -9.280 743 1HZ LYS 99 2HZ LYS 99 7.444 -6.666 -6.666 744 2HZ LYS 99 3HZ LYS 99 9.039 -6.920 -6.920 745 3HZ LYS 99 1HZ LYS 99 8.414 -7.336 -7.336 746 H LEU 100 H LEU 100 1.969 -9.298 -9.298 747 HA LEU 100 HA LEU 100 -0.153 -10.803 -10.803 748 1HB LEU 100 2HB LEU 100 -1.250 -8.861 -8.861 749 2HB LEU 100 1HB LEU 100 -0.449 -9.212 -9.212 750 HG LEU 100 HG LEU 100 -1.660 -11.378 -11.378 751 1HD1 LEU 100 1HD2 LEU 100 -3.065 -10.404 -10.404 752 2HD1 LEU 100 3HD2 LEU 100 -3.619 -11.749 -11.749 753 3HD1 LEU 100 2HD2 LEU 100 -2.086 -11.880 -11.880 754 1HD2 LEU 100 3HD1 LEU 100 -2.541 -9.288 -9.288 755 2HD2 LEU 100 1HD1 LEU 100 -3.810 -10.440 -10.440 756 3HD2 LEU 100 2HD1 LEU 100 -3.521 -9.017 -9.017 757 H ALA 101 H ALA 101 0.389 -12.886 -12.886 758 HA ALA 101 HA ALA 101 2.273 -13.694 -13.694 759 1HB ALA 101 1HB ALA 101 2.333 -14.581 -14.581 760 2HB ALA 101 3HB ALA 101 0.727 -15.312 -15.312 761 3HB ALA 101 2HB ALA 101 2.112 -15.875 -15.875 762 H LYS 102 HN LYS 102 0.279 -12.668 -12.668 763 HA LYS 102 HA LYS 102 -0.859 -15.000 -15.000 764 1HB LYS 102 2HB LYS 102 -2.389 -12.443 -12.443 765 2HB LYS 102 1HB LYS 102 -2.876 -13.725 -13.725 766 1HG LYS 102 1HG LYS 102 -2.945 -15.355 -15.355 767 2HG LYS 102 2HG LYS 102 -2.462 -14.080 -14.080 768 1HD LYS 102 1HD LYS 102 -4.859 -14.444 -14.444 769 2HD LYS 102 2HD LYS 102 -4.523 -12.817 -12.817 770 1HE LYS 102 1HE LYS 102 -5.111 -13.449 -13.449 771 2HE LYS 102 2HE LYS 102 -5.185 -15.169 -15.169 772 1HZ LYS 102 3HZ LYS 102 -6.970 -13.068 -13.068 773 2HZ LYS 102 1HZ LYS 102 -7.336 -14.153 -14.153 774 3HZ LYS 102 2HZ LYS 102 -7.050 -14.673 -14.673 775 H GLY 103 H GLY 103 -0.505 -14.898 -14.898 776 1HA GLY 103 1HA GLY 103 1.013 -12.618 -12.618 777 2HA GLY 103 2HA GLY 103 0.551 -14.123 -14.123 778 H GLY 104 H GLY 104 -1.027 -11.545 -11.545 779 1HA GLY 104 1HA GLY 104 -3.581 -11.592 -11.592 780 2HA GLY 104 2HA GLY 104 -2.740 -10.098 -10.098 781 H GLU 105 HN GLU 105 -3.046 -12.227 -12.227 782 HA GLU 105 HA GLU 105 -3.105 -10.169 -10.169 783 1HB GLU 105 2HB GLU 105 -4.188 -11.914 -11.914 784 2HB GLU 105 1HB GLU 105 -2.644 -12.372 -12.372 785 1HG GLU 105 2HG GLU 105 -3.739 -13.809 -13.809 786 2HG GLU 105 1HG GLU 105 -5.339 -13.224 -13.224 787 H ASP 106 HN ASP 106 -5.589 -11.504 -11.504 788 HA ASP 106 HA ASP 106 -7.921 -10.429 -10.429 789 1HB ASP 106 2HB ASP 106 -9.001 -10.958 -10.958 790 2HB ASP 106 1HB ASP 106 -8.023 -12.312 -12.312 791 H VAL 107 H VAL 107 -5.918 -9.384 -9.384 792 HA VAL 107 HA VAL 107 -7.186 -6.867 -6.867 793 HB VAL 107 HB VAL 107 -4.360 -7.840 -7.840 794 1HG1 VAL 107 2HG2 VAL 107 -5.780 -5.314 -5.314 795 2HG1 VAL 107 1HG2 VAL 107 -4.293 -5.987 -5.987 796 3HG1 VAL 107 3HG2 VAL 107 -4.283 -5.402 -5.402 797 1HG2 VAL 107 2HG1 VAL 107 -6.214 -9.054 -9.054 798 2HG2 VAL 107 3HG1 VAL 107 -5.244 -8.092 -8.092 799 3HG2 VAL 107 1HG1 VAL 107 -6.830 -7.497 -7.497 800 H ALA 108 H ALA 108 -4.317 -7.745 -7.745 801 HA ALA 108 HA ALA 108 -3.797 -5.139 -5.139 802 1HB ALA 108 1HB ALA 108 -2.273 -7.062 -7.062 803 2HB ALA 108 3HB ALA 108 -3.406 -7.796 -7.796 804 3HB ALA 108 2HB ALA 108 -2.622 -6.254 -6.254 805 H ALA 109 H ALA 109 -5.950 -7.667 -7.667 806 HA ALA 109 HA ALA 109 -6.832 -6.111 -6.111 807 1HB ALA 109 3HB ALA 109 -8.242 -8.341 -8.341 808 2HB ALA 109 2HB ALA 109 -8.752 -7.678 -7.678 809 3HB ALA 109 1HB ALA 109 -7.183 -8.489 -8.489 810 H TYR 110 H TYR 110 -8.082 -6.360 -6.360 811 HA TYR 110 HA TYR 110 -10.341 -4.682 -4.682 812 1HB TYR 110 2HB TYR 110 -10.137 -5.961 -5.961 813 2HB TYR 110 1HB TYR 110 -8.598 -5.235 -5.235 814 HD1 TYR 110 HD1 TYR 110 -12.057 -3.973 -3.973 815 HD2 TYR 110 HD2 TYR 110 -8.683 -3.787 -3.787 816 HE1 TYR 110 HE1 TYR 110 -13.182 -2.191 -2.191 817 HE2 TYR 110 HE2 TYR 110 -9.829 -2.048 -2.048 818 HH TYR 110 HH TYR 110 -11.706 -0.734 -0.734 819 H LEU 111 H LEU 111 -6.970 -3.815 -3.815 820 HA LEU 111 HA LEU 111 -7.393 -1.053 -1.053 821 1HB LEU 111 2HB LEU 111 -4.957 -2.823 -2.823 822 2HB LEU 111 1HB LEU 111 -4.868 -1.086 -1.086 823 HG LEU 111 HG LEU 111 -6.199 -2.904 -2.904 824 1HD1 LEU 111 2HD2 LEU 111 -3.825 -3.521 -3.521 825 2HD1 LEU 111 3HD2 LEU 111 -3.353 -1.828 -1.828 826 3HD1 LEU 111 1HD2 LEU 111 -4.126 -2.754 -2.754 827 1HD2 LEU 111 2HD1 LEU 111 -5.174 -0.036 -0.036 828 2HD2 LEU 111 3HD1 LEU 111 -6.875 -0.541 -0.541 829 3HD2 LEU 111 1HD1 LEU 111 -5.772 -0.979 -0.979 830 H ALA 112 H ALA 112 -6.580 -3.188 -3.188 831 HA ALA 112 HA ALA 112 -6.081 -1.051 -1.051 832 1HB ALA 112 2HB ALA 112 -5.460 -3.422 -3.422 833 2HB ALA 112 1HB ALA 112 -7.177 -3.828 -3.828 834 3HB ALA 112 3HB ALA 112 -6.412 -2.703 -2.703 835 H SER 113 H SER 113 -9.086 -2.972 -2.972 836 HA SER 113 HA SER 113 -10.716 -1.506 -1.506 837 1HB SER 113 2HB SER 113 -12.617 -2.494 -2.494 838 2HB SER 113 1HB SER 113 -11.335 -3.690 -3.690 839 HG SER 113 HG SER 113 -10.693 -2.978 -2.978 840 H VAL 114 H VAL 114 -9.837 -0.782 -0.782 841 HA VAL 114 HA VAL 114 -11.660 1.325 1.325 842 HB VAL 114 HB VAL 114 -8.849 0.755 0.755 843 1HG1 VAL 114 3HG1 VAL 114 -10.776 2.780 2.780 844 2HG1 VAL 114 2HG1 VAL 114 -9.245 2.228 2.228 845 3HG1 VAL 114 1HG1 VAL 114 -9.229 3.159 3.159 846 1HG2 VAL 114 3HG2 VAL 114 -10.852 -0.821 -0.821 847 2HG2 VAL 114 2HG2 VAL 114 -9.909 -0.173 -0.173 848 3HG2 VAL 114 1HG2 VAL 114 -11.480 0.533 0.533 849 H VAL 115 H VAL 115 -8.829 1.295 1.295 850 HA VAL 115 HA VAL 115 -8.480 4.171 4.171 851 HB VAL 115 HB VAL 115 -7.760 2.126 2.126 852 1HG1 VAL 115 3HG1 VAL 115 -6.753 4.952 4.952 853 2HG1 VAL 115 2HG1 VAL 115 -6.080 3.860 3.860 854 3HG1 VAL 115 1HG1 VAL 115 -7.729 4.470 4.470 855 1HG2 VAL 115 1HG2 VAL 115 -6.633 1.611 1.611 856 2HG2 VAL 115 3HG2 VAL 115 -5.533 2.049 2.049 857 3HG2 VAL 115 2HG2 VAL 115 -5.916 3.238 3.238 858 H LYS 116 HN LYS 116 -10.714 4.871 4.871 859 HA LYS 116 HA LYS 116 -11.648 5.361 5.361 860 1HB LYS 116 1HB LYS 116 -13.905 4.471 4.471 861 2HB LYS 116 2HB LYS 116 -12.704 3.173 3.173 862 1HG LYS 116 1HG LYS 116 -12.713 3.278 3.278 863 2HG LYS 116 2HG LYS 116 -13.966 4.528 4.528 864 1HD LYS 116 2HD LYS 116 -15.466 2.925 2.925 865 2HD LYS 116 1HD LYS 116 -14.185 1.689 1.689 866 1HE LYS 116 1HE LYS 116 -14.204 1.782 1.782 867 2HE LYS 116 2HE LYS 116 -15.479 3.016 3.016 868 1HZ LYS 116 3HZ LYS 116 -15.707 0.273 0.273 869 2HZ LYS 116 2HZ LYS 116 -16.359 0.838 0.838 870 3HZ LYS 116 1HZ LYS 116 -16.895 1.416 1.416 871 HHA HEC 117 HHA HEM 117 3.019 2.527 2.527 872 HHB HEC 117 HHB HEM 117 -0.778 -1.973 -1.973 873 HHC HEC 117 HHC HEM 117 -2.384 -3.756 -3.756 874 HHD HEC 117 HHD HEM 117 1.409 0.845 0.845 875 1HMA HEC 117 1HMA HEM 117 1.373 -1.479 -1.479 876 2HMA HEC 117 2HMA HEM 117 -0.091 -0.468 -0.468 877 3HMA HEC 117 3HMA HEM 117 1.490 0.218 0.218 878 1HAA HEC 117 1HAA HEM 117 3.670 2.144 2.144 879 2HAA HEC 117 2HAA HEM 117 3.317 1.233 1.233 880 1HBA HEC 117 1HBA HEM 117 1.435 2.700 2.700 881 2HBA HEC 117 2HBA HEM 117 1.610 3.546 3.546 882 1HMB HEC 117 1HMB HEM 117 -3.717 -4.226 -4.226 883 2HMB HEC 117 2HMB HEM 117 -2.075 -4.444 -4.444 884 3HMB HEC 117 3HMB HEM 117 -2.906 -2.879 -2.879 885 HAB HEC 117 HAB HEM 117 -3.466 -4.995 -4.995 886 1HBB HEC 117 1HBB HEM 117 -3.876 -6.942 -6.942 887 2HBB HEC 117 2HBB HEM 117 -3.199 -6.179 -6.179 888 3HBB HEC 117 3HBB HEM 117 -2.144 -6.544 -6.544 889 1HMC HEC 117 1HMC HEM 117 -3.335 -2.952 -2.952 890 2HMC HEC 117 2HMC HEM 117 -2.631 -2.568 -2.568 891 3HMC HEC 117 3HMC HEM 117 -2.030 -3.968 -3.968 892 HAC HEC 117 HAC HEM 117 0.134 0.229 0.229 893 1HBC HEC 117 1HBC HEM 117 -0.877 -2.456 -2.456 894 2HBC HEC 117 2HBC HEM 117 0.821 -1.976 -1.976 895 3HBC HEC 117 3HBC HEM 117 -0.222 -1.132 -1.132 896 1HMD HEC 117 1HMD HEM 117 3.716 3.669 3.669 897 2HMD HEC 117 2HMD HEM 117 3.261 2.185 2.185 898 3HMD HEC 117 3HMD HEM 117 2.050 3.452 3.452 899 1HAD HEC 117 1HAD HEM 117 3.394 4.328 4.328 900 2HAD HEC 117 2HAD HEM 117 3.890 4.494 4.494 901 1HBD HEC 117 1HBD HEM 117 5.113 2.661 2.661 902 2HBD HEC 117 2HBD HEM 117 5.401 2.513 2.513 Start of MODEL 11 1 1H GLY 1 1H GLY 1 -6.819 -13.591 -13.591 2 2H GLY 1 2H GLY 1 -7.448 -13.548 -13.548 3 1HA GLY 1 1HA GLY 1 -6.566 -11.198 -11.198 4 2HA GLY 1 2HA GLY 1 -7.235 -11.181 -11.181 5 H ASP 2 HN ASP 2 -8.172 -12.879 -12.879 6 HA ASP 2 HA ASP 2 -10.965 -12.591 -12.591 7 1HB ASP 2 2HB ASP 2 -9.475 -13.281 -13.281 8 2HB ASP 2 1HB ASP 2 -11.135 -13.703 -13.703 9 H ALA 3 H ALA 3 -10.711 -10.108 -10.108 10 HA ALA 3 HA ALA 3 -10.407 -8.223 -8.223 11 1HB ALA 3 1HB ALA 3 -10.981 -7.706 -7.706 12 2HB ALA 3 2HB ALA 3 -12.644 -8.276 -8.276 13 3HB ALA 3 3HB ALA 3 -12.050 -6.837 -6.837 14 H ALA 4 H ALA 4 -13.313 -10.246 -10.246 15 HA ALA 4 HA ALA 4 -14.977 -9.051 -9.051 16 1HB ALA 4 2HB ALA 4 -15.737 -10.769 -10.769 17 2HB ALA 4 3HB ALA 4 -14.746 -11.994 -11.994 18 3HB ALA 4 1HB ALA 4 -16.116 -11.238 -11.238 19 H LYS 5 HN LYS 5 -12.319 -11.397 -11.397 20 HA LYS 5 HA LYS 5 -12.886 -11.757 -11.757 21 1HB LYS 5 2HB LYS 5 -10.463 -12.559 -12.559 22 2HB LYS 5 1HB LYS 5 -10.802 -13.043 -13.043 23 1HG LYS 5 2HG LYS 5 -12.480 -13.765 -13.765 24 2HG LYS 5 1HG LYS 5 -11.315 -14.815 -14.815 25 1HD LYS 5 2HD LYS 5 -12.701 -14.572 -14.572 26 2HD LYS 5 1HD LYS 5 -13.935 -13.744 -13.744 27 1HE LYS 5 1HE LYS 5 -12.906 -16.588 -16.588 28 2HE LYS 5 2HE LYS 5 -14.464 -16.135 -16.135 29 1HZ LYS 5 1HZ LYS 5 -15.036 -15.100 -15.100 30 2HZ LYS 5 3HZ LYS 5 -13.598 -15.564 -15.564 31 3HZ LYS 5 2HZ LYS 5 -14.695 -16.700 -16.700 32 H GLY 6 H GLY 6 -10.704 -10.012 -10.012 33 1HA GLY 6 1HA GLY 6 -8.966 -8.744 -8.744 34 2HA GLY 6 2HA GLY 6 -9.566 -8.040 -8.040 35 H GLU 7 HN GLU 7 -12.260 -7.663 -7.663 36 HA GLU 7 HA GLU 7 -12.484 -5.272 -5.272 37 1HB GLU 7 1HB GLU 7 -14.537 -7.488 -7.488 38 2HB GLU 7 2HB GLU 7 -14.944 -5.903 -5.903 39 1HG GLU 7 2HG GLU 7 -14.422 -4.782 -4.782 40 2HG GLU 7 1HG GLU 7 -13.562 -6.172 -6.172 41 H LYS 8 HN LYS 8 -13.125 -8.582 -8.582 42 HA LYS 8 HA LYS 8 -13.929 -7.742 -7.742 43 1HB LYS 8 1HB LYS 8 -13.014 -10.475 -10.475 44 2HB LYS 8 2HB LYS 8 -13.874 -10.127 -10.127 45 1HG LYS 8 2HG LYS 8 -15.804 -9.259 -9.259 46 2HG LYS 8 1HG LYS 8 -14.961 -9.658 -9.658 47 1HD LYS 8 1HD LYS 8 -14.812 -12.051 -12.051 48 2HD LYS 8 2HD LYS 8 -15.837 -11.641 -11.641 49 1HE LYS 8 1HE LYS 8 -16.578 -11.337 -11.337 50 2HE LYS 8 2HE LYS 8 -17.143 -12.620 -12.620 51 1HZ LYS 8 2HZ LYS 8 -18.199 -10.934 -10.934 52 2HZ LYS 8 3HZ LYS 8 -17.703 -9.754 -9.754 53 3HZ LYS 8 1HZ LYS 8 -18.760 -10.908 -10.908 54 H GLU 9 HN GLU 9 -10.985 -9.094 -9.094 55 HA GLU 9 HA GLU 9 -9.372 -9.330 -9.330 56 1HB GLU 9 1HB GLU 9 -8.984 -10.035 -10.035 57 2HB GLU 9 2HB GLU 9 -8.278 -8.426 -8.426 58 1HG GLU 9 2HG GLU 9 -7.404 -10.628 -10.628 59 2HG GLU 9 1HG GLU 9 -6.577 -10.136 -10.136 60 H PHE 10 H PHE 10 -9.988 -6.505 -6.505 61 HA PHE 10 HA PHE 10 -8.180 -4.771 -4.771 62 1HB PHE 10 2HB PHE 10 -9.680 -4.465 -4.465 63 2HB PHE 10 1HB PHE 10 -10.857 -3.772 -3.772 64 HD1 PHE 10 HD1 PHE 10 -7.419 -3.493 -3.493 65 HD2 PHE 10 HD2 PHE 10 -10.344 -1.607 -1.607 66 HE1 PHE 10 HE1 PHE 10 -5.973 -1.510 -1.510 67 HE2 PHE 10 HE2 PHE 10 -8.876 0.398 0.398 68 HZ PHE 10 HZ PHE 10 -6.717 0.469 0.469 69 H ASN 11 H ASN 11 -11.030 -5.997 -5.997 70 HA ASN 11 HA ASN 11 -11.538 -3.855 -3.855 71 1HB ASN 11 1HB ASN 11 -12.824 -6.053 -6.053 72 2HB ASN 11 2HB ASN 11 -11.656 -6.803 -6.803 73 1HD2 ASN 11 1HD2 ASN 11 -13.031 -4.492 -4.492 74 2HD2 ASN 11 2HD2 ASN 11 -11.443 -4.577 -4.577 75 H LYS 12 HN LYS 12 -8.862 -6.190 -6.190 76 HA LYS 12 HA LYS 12 -7.814 -5.678 -5.678 77 1HB LYS 12 1HB LYS 12 -6.432 -6.788 -6.788 78 2HB LYS 12 2HB LYS 12 -5.856 -6.874 -6.874 79 1HG LYS 12 2HG LYS 12 -8.318 -8.286 -8.286 80 2HG LYS 12 1HG LYS 12 -6.754 -8.984 -8.984 81 1HD LYS 12 1HD LYS 12 -7.814 -9.619 -9.619 82 2HD LYS 12 2HD LYS 12 -7.249 -8.043 -8.043 83 1HE LYS 12 2HE LYS 12 -9.526 -7.094 -7.094 84 2HE LYS 12 1HE LYS 12 -10.021 -8.683 -8.683 85 1HZ LYS 12 2HZ LYS 12 -9.675 -9.543 -9.543 86 2HZ LYS 12 3HZ LYS 12 -9.203 -8.063 -8.063 87 3HZ LYS 12 1HZ LYS 12 -10.747 -8.292 -8.292 88 H CYS 13 H CYS 13 -6.890 -4.683 -4.683 89 HA CYS 13 HA CYS 13 -4.825 -2.967 -2.967 90 1HB CYS 13 2HB CYS 13 -6.972 -2.579 -2.579 91 2HB CYS 13 1HB CYS 13 -5.297 -2.038 -2.038 92 H LYS 14 HN LYS 14 -8.305 -2.297 -2.297 93 HA LYS 14 HA LYS 14 -8.499 0.395 0.395 94 1HB LYS 14 1HB LYS 14 -10.343 -1.234 -1.234 95 2HB LYS 14 2HB LYS 14 -10.074 -1.737 -1.737 96 1HG LYS 14 2HG LYS 14 -10.672 0.533 0.533 97 2HG LYS 14 1HG LYS 14 -10.940 1.024 1.024 98 1HD LYS 14 1HD LYS 14 -12.678 -0.806 -0.806 99 2HD LYS 14 2HD LYS 14 -12.487 -1.094 -1.094 100 1HE LYS 14 1HE LYS 14 -13.372 1.530 1.530 101 2HE LYS 14 2HE LYS 14 -14.426 0.375 0.375 102 1HZ LYS 14 2HZ LYS 14 -13.200 0.815 0.815 103 2HZ LYS 14 3HZ LYS 14 -12.242 1.906 1.906 104 3HZ LYS 14 1HZ LYS 14 -13.844 2.203 2.203 105 H THR 15 H THR 15 -7.333 -1.844 -1.844 106 HA THR 15 HA THR 15 -7.660 -0.244 -0.244 107 HB THR 15 HB THR 15 -5.394 -2.200 -2.200 108 HG1 THR 15 HG1 THR 15 -7.219 -3.299 -3.299 109 1HG2 THR 15 1HG2 THR 15 -6.799 -1.375 -1.375 110 2HG2 THR 15 3HG2 THR 15 -5.594 -2.670 -2.670 111 3HG2 THR 15 2HG2 THR 15 -5.121 -0.990 -0.990 112 H CYS 16 H CYS 16 -5.326 -0.023 -0.023 113 HA CYS 16 HA CYS 16 -3.908 2.214 2.214 114 1HB CYS 16 1HB CYS 16 -2.857 0.170 0.170 115 2HB CYS 16 2HB CYS 16 -1.961 1.596 1.596 116 H HIS 17 HN HIS 17 -5.370 1.063 1.063 117 HA HIS 17 HA HIS 17 -4.532 3.561 3.561 118 1HB HIS 17 1HB HIS 17 -5.327 0.759 0.759 119 2HB HIS 17 2HB HIS 17 -5.133 2.131 2.131 120 HD1 HIS 17 HD1 HIS 17 -2.737 3.279 3.279 121 HD2 HIS 17 HD2 HIS 17 -2.876 -0.525 -0.525 122 HE1 HIS 17 HE1 HIS 17 -0.439 2.258 2.258 123 H SER 18 H SER 18 -6.075 4.354 4.354 124 HA SER 18 HA SER 18 -8.943 3.803 3.803 125 1HB SER 18 2HB SER 18 -9.331 6.239 6.239 126 2HB SER 18 1HB SER 18 -8.194 5.775 5.775 127 HG SER 18 HG SER 18 -6.495 6.481 6.481 128 H ILE 19 H ILE 19 -10.310 4.718 4.718 129 HA ILE 19 HA ILE 19 -8.910 4.994 4.994 130 HB ILE 19 HB ILE 19 -11.195 3.049 3.049 131 1HG1 ILE 19 2HG1 ILE 19 -8.279 2.609 2.609 132 2HG1 ILE 19 1HG1 ILE 19 -8.980 2.161 2.161 133 1HG2 ILE 19 3HG2 ILE 19 -11.264 4.350 4.350 134 2HG2 ILE 19 1HG2 ILE 19 -9.712 3.584 3.584 135 3HG2 ILE 19 2HG2 ILE 19 -11.172 2.602 2.602 136 1HD1 ILE 19 2HD1 ILE 19 -10.525 0.595 0.595 137 2HD1 ILE 19 1HD1 ILE 19 -9.698 0.933 0.933 138 3HD1 ILE 19 3HD1 ILE 19 -8.809 0.193 0.193 139 H ILE 20 H ILE 20 -9.596 6.916 6.916 140 HA ILE 20 HA ILE 20 -12.210 8.019 8.019 141 HB ILE 20 HB ILE 20 -9.927 9.066 9.066 142 1HG1 ILE 20 1HG1 ILE 20 -10.921 11.448 11.448 143 2HG1 ILE 20 2HG1 ILE 20 -12.332 10.511 10.511 144 1HG2 ILE 20 2HG2 ILE 20 -8.897 9.033 9.033 145 2HG2 ILE 20 1HG2 ILE 20 -10.044 10.309 10.309 146 3HG2 ILE 20 3HG2 ILE 20 -8.872 10.606 10.606 147 1HD1 ILE 20 2HD1 ILE 20 -12.242 9.340 9.340 148 2HD1 ILE 20 1HD1 ILE 20 -10.931 10.434 10.434 149 3HD1 ILE 20 3HD1 ILE 20 -12.542 11.089 11.089 150 H ALA 21 H ALA 21 -13.698 8.678 8.678 151 HA ALA 21 HA ALA 21 -13.157 7.903 7.903 152 1HB ALA 21 2HB ALA 21 -15.428 7.918 7.918 153 2HB ALA 21 3HB ALA 21 -15.364 9.690 9.690 154 3HB ALA 21 1HB ALA 21 -15.378 8.812 8.812 155 HA PRO 22 HA PRO 22 -11.254 11.636 11.636 156 1HB PRO 22 1HB PRO 22 -13.567 11.842 11.842 157 2HB PRO 22 2HB PRO 22 -11.820 12.048 12.048 158 1HG PRO 22 2HG PRO 22 -13.008 9.694 9.694 159 2HG PRO 22 1HG PRO 22 -11.443 9.698 9.698 160 1HD PRO 22 1HD PRO 22 -14.217 9.340 9.340 161 2HD PRO 22 2HD PRO 22 -12.740 8.386 8.386 162 H ASP 23 HN ASP 23 -14.790 11.805 11.805 163 HA ASP 23 HA ASP 23 -14.953 14.665 14.665 164 1HB ASP 23 2HB ASP 23 -17.342 14.111 14.111 165 2HB ASP 23 1HB ASP 23 -16.765 13.401 13.401 166 H GLY 24 H GLY 24 -13.816 12.299 12.299 167 1HA GLY 24 1HA GLY 24 -13.147 12.868 12.868 168 2HA GLY 24 2HA GLY 24 -14.451 14.036 14.036 169 H THR 25 H THR 25 -16.295 11.640 11.640 170 HA THR 25 HA THR 25 -17.289 10.843 10.843 171 HB THR 25 HB THR 25 -17.575 9.433 9.433 172 HG1 THR 25 HG1 THR 25 -18.370 11.493 11.493 173 1HG2 THR 25 1HG2 THR 25 -19.234 9.239 9.239 174 2HG2 THR 25 2HG2 THR 25 -19.680 8.554 8.554 175 3HG2 THR 25 3HG2 THR 25 -18.263 7.930 7.930 176 H GLU 26 HN GLU 26 -16.480 9.484 9.484 177 HA GLU 26 HA GLU 26 -14.041 8.029 8.029 178 1HB GLU 26 2HB GLU 26 -16.053 7.767 7.767 179 2HB GLU 26 1HB GLU 26 -14.368 7.213 7.213 180 1HG GLU 26 2HG GLU 26 -13.624 9.592 9.592 181 2HG GLU 26 1HG GLU 26 -15.305 10.121 10.121 182 H ILE 27 H ILE 27 -13.858 6.142 6.142 183 HA ILE 27 HA ILE 27 -16.238 4.401 4.401 184 HB ILE 27 HB ILE 27 -13.377 4.105 4.105 185 1HG1 ILE 27 2HG1 ILE 27 -14.275 6.038 6.038 186 2HG1 ILE 27 1HG1 ILE 27 -14.351 4.707 4.707 187 1HG2 ILE 27 1HG2 ILE 27 -15.906 2.552 2.552 188 2HG2 ILE 27 3HG2 ILE 27 -14.364 2.433 2.433 189 3HG2 ILE 27 2HG2 ILE 27 -14.464 1.942 1.942 190 1HD1 ILE 27 2HD1 ILE 27 -16.824 4.426 4.426 191 2HD1 ILE 27 1HD1 ILE 27 -16.650 5.963 5.963 192 3HD1 ILE 27 3HD1 ILE 27 -16.415 5.901 5.901 193 H VAL 28 H VAL 28 -12.949 4.377 4.377 194 HA VAL 28 HA VAL 28 -13.946 2.484 2.484 195 HB VAL 28 HB VAL 28 -11.173 2.333 2.333 196 1HG1 VAL 28 3HG2 VAL 28 -12.549 0.931 0.931 197 2HG1 VAL 28 2HG2 VAL 28 -11.058 0.354 0.354 198 3HG1 VAL 28 1HG2 VAL 28 -11.075 1.930 1.930 199 1HG2 VAL 28 2HG1 VAL 28 -13.572 0.436 0.436 200 2HG2 VAL 28 3HG1 VAL 28 -12.867 1.277 1.277 201 3HG2 VAL 28 1HG1 VAL 28 -11.936 0.029 0.029 202 H LYS 29 HN LYS 29 -14.356 3.960 3.960 203 HA LYS 29 HA LYS 29 -12.667 6.182 6.182 204 1HB LYS 29 2HB LYS 29 -14.286 6.411 6.411 205 2HB LYS 29 1HB LYS 29 -14.997 6.507 6.507 206 1HG LYS 29 2HG LYS 29 -15.151 4.071 4.071 207 2HG LYS 29 1HG LYS 29 -16.344 5.346 5.346 208 1HD LYS 29 1HD LYS 29 -15.812 3.113 3.113 209 2HD LYS 29 2HD LYS 29 -17.288 3.634 3.634 210 1HE LYS 29 1HE LYS 29 -17.382 5.688 5.688 211 2HE LYS 29 2HE LYS 29 -15.861 5.277 5.277 212 1HZ LYS 29 1HZ LYS 29 -18.310 3.704 3.704 213 2HZ LYS 29 3HZ LYS 29 -17.670 4.717 4.717 214 3HZ LYS 29 2HZ LYS 29 -16.862 3.354 3.354 215 H GLY 30 H GLY 30 -10.875 4.419 4.419 216 1HA GLY 30 1HA GLY 30 -10.588 3.019 3.019 217 2HA GLY 30 2HA GLY 30 -9.592 2.823 2.823 218 H ALA 31 H ALA 31 -8.043 3.080 3.080 219 HA ALA 31 HA ALA 31 -7.699 5.780 5.780 220 1HB ALA 31 1HB ALA 31 -7.082 3.727 3.727 221 2HB ALA 31 3HB ALA 31 -5.800 3.430 3.430 222 3HB ALA 31 2HB ALA 31 -5.728 4.863 4.863 223 H LYS 32 HN LYS 32 -5.375 6.705 6.705 224 HA LYS 32 HA LYS 32 -4.443 6.852 6.852 225 1HB LYS 32 1HB LYS 32 -4.400 9.073 9.073 226 2HB LYS 32 2HB LYS 32 -4.029 9.199 9.199 227 1HG LYS 32 1HG LYS 32 -6.768 8.651 8.651 228 2HG LYS 32 2HG LYS 32 -6.206 10.177 10.177 229 1HD LYS 32 2HD LYS 32 -5.949 9.102 9.102 230 2HD LYS 32 1HD LYS 32 -6.577 7.586 7.586 231 1HE LYS 32 2HE LYS 32 -8.099 10.228 10.228 232 2HE LYS 32 1HE LYS 32 -8.319 8.857 8.857 233 1HZ LYS 32 2HZ LYS 32 -8.960 7.530 7.530 234 2HZ LYS 32 1HZ LYS 32 -8.833 8.856 8.856 235 3HZ LYS 32 3HZ LYS 32 -9.955 8.821 8.821 236 H THR 33 H THR 33 -3.513 4.994 4.994 237 HA THR 33 HA THR 33 -1.071 6.052 6.052 238 HB THR 33 HB THR 33 -1.759 3.136 3.136 239 HG1 THR 33 HG1 THR 33 -2.757 4.901 4.901 240 1HG2 THR 33 3HG2 THR 33 0.460 3.646 3.646 241 2HG2 THR 33 1HG2 THR 33 -0.312 4.590 4.590 242 3HG2 THR 33 2HG2 THR 33 -0.596 2.840 2.840 243 H GLY 34 H GLY 34 -2.108 4.174 4.174 244 1HA GLY 34 1HA GLY 34 0.543 4.549 4.549 245 2HA GLY 34 2HA GLY 34 -0.664 3.311 3.311 246 HA PRO 35 HA PRO 35 -1.459 7.394 7.394 247 1HB PRO 35 1HB PRO 35 -0.900 6.432 6.432 248 2HB PRO 35 2HB PRO 35 0.311 7.169 7.169 249 1HG PRO 35 1HG PRO 35 -0.322 4.226 4.226 250 2HG PRO 35 2HG PRO 35 1.278 5.016 5.016 251 1HD PRO 35 1HD PRO 35 0.639 3.914 3.914 252 2HD PRO 35 2HD PRO 35 1.293 5.557 5.557 253 H ASN 36 H ASN 36 -2.944 7.404 7.404 254 HA ASN 36 HA ASN 36 -5.271 5.652 5.652 255 1HB ASN 36 2HB ASN 36 -5.640 8.063 8.063 256 2HB ASN 36 1HB ASN 36 -5.077 8.243 8.243 257 1HD2 ASN 36 2HD2 ASN 36 -8.915 7.273 7.273 258 2HD2 ASN 36 1HD2 ASN 36 -7.817 7.566 7.566 259 H LEU 37 H LEU 37 -4.768 3.686 3.686 260 HA LEU 37 HA LEU 37 -3.750 3.602 3.602 261 1HB LEU 37 2HB LEU 37 -5.586 1.880 1.880 262 2HB LEU 37 1HB LEU 37 -4.940 1.268 1.268 263 HG LEU 37 HG LEU 37 -2.892 1.174 1.174 264 1HD1 LEU 37 2HD2 LEU 37 -2.153 3.321 3.321 265 2HD1 LEU 37 3HD2 LEU 37 -2.887 3.209 3.209 266 3HD1 LEU 37 1HD2 LEU 37 -1.550 2.142 2.142 267 1HD2 LEU 37 1HD1 LEU 37 -4.335 0.795 0.795 268 2HD2 LEU 37 2HD1 LEU 37 -4.059 -0.406 -0.406 269 3HD2 LEU 37 3HD1 LEU 37 -2.701 0.189 0.189 270 H TYR 38 H TYR 38 -6.406 5.428 5.428 271 HA TYR 38 HA TYR 38 -7.848 4.153 4.153 272 1HB TYR 38 2HB TYR 38 -8.992 5.755 5.755 273 2HB TYR 38 1HB TYR 38 -7.821 7.013 7.013 274 HD1 TYR 38 HD2 TYR 38 -10.469 4.852 4.852 275 HD2 TYR 38 HD1 TYR 38 -8.151 8.447 8.447 276 HE1 TYR 38 HE2 TYR 38 -11.530 5.325 5.325 277 HE2 TYR 38 HE1 TYR 38 -9.075 8.838 8.838 278 HH TYR 38 HH TYR 38 -11.554 6.773 6.773 279 H GLY 39 H GLY 39 -5.977 3.519 3.519 280 1HA GLY 39 1HA GLY 39 -5.278 3.893 3.893 281 2HA GLY 39 2HA GLY 39 -5.247 5.634 5.634 282 H VAL 40 H VAL 40 -3.725 2.836 2.836 283 HA VAL 40 HA VAL 40 -1.104 4.087 4.087 284 HB VAL 40 HB VAL 40 -1.724 1.139 1.139 285 1HG1 VAL 40 1HG2 VAL 40 0.609 2.979 2.979 286 2HG1 VAL 40 2HG2 VAL 40 0.425 1.318 1.318 287 3HG1 VAL 40 3HG2 VAL 40 0.614 1.608 1.608 288 1HG2 VAL 40 3HG1 VAL 40 -1.720 3.468 3.468 289 2HG2 VAL 40 2HG1 VAL 40 -3.028 2.291 2.291 290 3HG2 VAL 40 1HG1 VAL 40 -1.545 1.764 1.764 291 H VAL 41 H VAL 41 -2.802 1.600 1.600 292 HA VAL 41 HA VAL 41 -0.549 0.585 0.585 293 HB VAL 41 HB VAL 41 -3.423 0.852 0.852 294 1HG1 VAL 41 2HG2 VAL 41 -1.129 -0.828 -0.828 295 2HG1 VAL 41 3HG2 VAL 41 -2.840 -1.014 -1.014 296 3HG1 VAL 41 1HG2 VAL 41 -1.987 0.477 0.477 297 1HG2 VAL 41 3HG1 VAL 41 -1.792 -1.388 -1.388 298 2HG2 VAL 41 2HG1 VAL 41 -3.087 -0.466 -0.466 299 3HG2 VAL 41 1HG1 VAL 41 -3.472 -1.537 -1.537 300 H GLY 42 H GLY 42 0.907 1.479 1.479 301 1HA GLY 42 1HA GLY 42 1.667 2.596 2.596 302 2HA GLY 42 2HA GLY 42 0.231 3.626 3.626 303 H ARG 43 HN ARG 43 0.752 3.843 3.843 304 HA ARG 43 HA ARG 43 1.975 6.415 6.415 305 1HB ARG 43 1HB ARG 43 0.272 5.638 5.638 306 2HB ARG 43 2HB ARG 43 1.515 4.667 4.667 307 1HG ARG 43 1HG ARG 43 2.774 6.632 6.632 308 2HG ARG 43 2HG ARG 43 1.698 7.677 7.677 309 1HD ARG 43 1HD ARG 43 0.840 5.974 5.974 310 2HD ARG 43 2HD ARG 43 1.142 7.700 7.700 311 HE ARG 43 HE ARG 43 -1.130 6.320 6.320 312 1HH1 ARG 43 2HH1 ARG 43 0.523 9.481 9.481 313 2HH1 ARG 43 1HH1 ARG 43 -0.730 10.316 10.316 314 1HH2 ARG 43 2HH2 ARG 43 -2.641 7.375 7.375 315 2HH2 ARG 43 1HH2 ARG 43 -2.624 9.116 9.116 316 H THR 44 H THR 44 4.072 7.090 7.090 317 HA THR 44 HA THR 44 6.211 5.276 5.276 318 HB THR 44 HB THR 44 6.306 8.215 8.215 319 HG1 THR 44 HG1 THR 44 6.057 6.959 6.959 320 1HG2 THR 44 3HG2 THR 44 8.284 6.408 6.408 321 2HG2 THR 44 2HG2 THR 44 8.433 8.168 8.168 322 3HG2 THR 44 1HG2 THR 44 8.480 7.118 7.118 323 H ALA 45 H ALA 45 5.416 4.007 4.007 324 HA ALA 45 HA ALA 45 5.829 3.221 3.221 325 1HB ALA 45 1HB ALA 45 8.248 3.665 3.665 326 2HB ALA 45 2HB ALA 45 8.133 5.159 5.159 327 3HB ALA 45 3HB ALA 45 7.900 3.586 3.586 328 H GLY 46 H GLY 46 6.952 5.029 5.029 329 1HA GLY 46 1HA GLY 46 4.531 5.981 5.981 330 2HA GLY 46 2HA GLY 46 6.166 6.287 6.287 331 H THR 47 H THR 47 3.747 7.356 7.356 332 HA THR 47 HA THR 47 4.374 10.156 10.156 333 HB THR 47 HB THR 47 5.831 9.783 9.783 334 HG1 THR 47 HG1 THR 47 3.536 11.325 11.325 335 1HG2 THR 47 2HG2 THR 47 4.635 7.975 7.975 336 2HG2 THR 47 3HG2 THR 47 3.338 9.109 9.109 337 3HG2 THR 47 1HG2 THR 47 4.974 9.354 9.354 338 H TYR 48 H TYR 48 2.184 8.724 8.724 339 HA TYR 48 HA TYR 48 -0.110 9.717 9.717 340 1HB TYR 48 1HB TYR 48 0.023 7.478 7.478 341 2HB TYR 48 2HB TYR 48 -0.309 8.523 8.523 342 HD1 TYR 48 HD2 TYR 48 -2.476 9.962 9.962 343 HD2 TYR 48 HD1 TYR 48 -1.641 6.765 6.765 344 HE1 TYR 48 HE2 TYR 48 -4.732 10.221 10.221 345 HE2 TYR 48 HE1 TYR 48 -3.812 7.123 7.123 346 HH TYR 48 HH TYR 48 -5.865 8.177 8.177 347 HA PRO 49 HA PRO 49 0.683 13.572 13.572 348 1HB PRO 49 1HB PRO 49 -1.798 14.807 14.807 349 2HB PRO 49 2HB PRO 49 -0.677 14.702 14.702 350 1HG PRO 49 2HG PRO 49 -2.993 12.851 12.851 351 2HG PRO 49 1HG PRO 49 -2.624 13.648 13.648 352 1HD PRO 49 1HD PRO 49 -1.882 11.107 11.107 353 2HD PRO 49 2HD PRO 49 -0.714 12.220 12.220 354 H GLU 50 HN GLU 50 0.249 14.726 14.726 355 HA GLU 50 HA GLU 50 0.177 14.774 14.774 356 1HB GLU 50 1HB GLU 50 -2.610 13.613 13.613 357 2HB GLU 50 2HB GLU 50 -2.020 14.661 14.661 358 1HG GLU 50 2HG GLU 50 -2.503 15.398 15.398 359 2HG GLU 50 1HG GLU 50 -3.333 16.017 16.017 360 H PHE 51 H PHE 51 1.809 12.791 12.791 361 HA PHE 51 HA PHE 51 1.269 11.142 11.142 362 1HB PHE 51 1HB PHE 51 0.164 9.869 9.869 363 2HB PHE 51 2HB PHE 51 1.754 9.701 9.701 364 HD1 PHE 51 HD2 PHE 51 -0.332 8.946 8.946 365 HD2 PHE 51 HD1 PHE 51 3.486 8.274 8.274 366 HE1 PHE 51 HE2 PHE 51 0.295 7.416 7.416 367 HE2 PHE 51 HE1 PHE 51 4.086 6.672 6.672 368 HZ PHE 51 HZ PHE 51 2.464 6.206 6.206 369 H LYS 52 HN LYS 52 3.097 11.195 11.195 370 HA LYS 52 HA LYS 52 5.600 12.005 12.005 371 1HB LYS 52 2HB LYS 52 4.799 12.806 12.806 372 2HB LYS 52 1HB LYS 52 5.104 11.187 11.187 373 1HG LYS 52 1HG LYS 52 7.524 11.736 11.736 374 2HG LYS 52 2HG LYS 52 6.982 13.358 13.358 375 1HD LYS 52 2HD LYS 52 8.359 12.640 12.640 376 2HD LYS 52 1HD LYS 52 6.696 12.628 12.628 377 1HE LYS 52 1HE LYS 52 7.970 10.643 10.643 378 2HE LYS 52 2HE LYS 52 6.611 10.151 10.151 379 1HZ LYS 52 3HZ LYS 52 9.377 10.446 10.446 380 2HZ LYS 52 1HZ LYS 52 8.671 9.023 9.023 381 3HZ LYS 52 2HZ LYS 52 8.104 9.854 9.854 382 H TYR 53 H TYR 53 5.960 10.226 10.226 383 HA TYR 53 HA TYR 53 6.402 7.525 7.525 384 1HB TYR 53 2HB TYR 53 7.580 8.932 8.932 385 2HB TYR 53 1HB TYR 53 7.534 7.216 7.216 386 HD1 TYR 53 HD1 TYR 53 5.541 5.851 5.851 387 HD2 TYR 53 HD2 TYR 53 5.475 10.040 10.040 388 HE1 TYR 53 HE1 TYR 53 3.405 5.525 5.525 389 HE2 TYR 53 HE2 TYR 53 3.263 9.740 9.740 390 HH TYR 53 HH TYR 53 1.888 6.501 6.501 391 H LYS 54 HN LYS 54 8.768 6.746 6.746 392 HA LYS 54 HA LYS 54 10.747 8.033 8.033 393 1HB LYS 54 2HB LYS 54 11.008 5.132 5.132 394 2HB LYS 54 1HB LYS 54 11.456 6.051 6.051 395 1HG LYS 54 2HG LYS 54 8.639 5.201 5.201 396 2HG LYS 54 1HG LYS 54 9.635 4.432 4.432 397 1HD LYS 54 1HD LYS 54 9.520 6.312 6.312 398 2HD LYS 54 2HD LYS 54 8.908 7.376 7.376 399 1HE LYS 54 1HE LYS 54 6.844 5.849 5.849 400 2HE LYS 54 2HE LYS 54 7.418 5.104 5.104 401 1HZ LYS 54 1HZ LYS 54 7.332 7.344 7.344 402 2HZ LYS 54 3HZ LYS 54 6.706 7.923 7.923 403 3HZ LYS 54 2HZ LYS 54 5.861 6.826 6.826 404 H ASP 55 HN ASP 55 12.967 7.275 7.275 405 HA ASP 55 HA ASP 55 13.738 8.363 8.363 406 1HB ASP 55 1HB ASP 55 15.404 6.317 6.317 407 2HB ASP 55 2HB ASP 55 15.957 7.716 7.716 408 H SER 56 H SER 56 13.020 4.946 4.946 409 HA SER 56 HA SER 56 14.618 3.729 3.729 410 1HB SER 56 1HB SER 56 13.067 1.810 1.810 411 2HB SER 56 2HB SER 56 14.145 2.562 2.562 412 HG SER 56 HG SER 56 11.816 2.329 2.329 413 H ILE 57 H ILE 57 11.161 3.810 3.810 414 HA ILE 57 HA ILE 57 10.347 3.030 3.030 415 HB ILE 57 HB ILE 57 9.168 3.038 3.038 416 1HG1 ILE 57 1HG1 ILE 57 7.594 3.777 3.777 417 2HG1 ILE 57 2HG1 ILE 57 8.204 2.167 2.167 418 1HG2 ILE 57 3HG2 ILE 57 9.284 5.453 5.453 419 2HG2 ILE 57 1HG2 ILE 57 8.132 5.735 5.735 420 3HG2 ILE 57 2HG2 ILE 57 7.650 4.821 4.821 421 1HD1 ILE 57 2HD1 ILE 57 6.777 2.158 2.158 422 2HD1 ILE 57 3HD1 ILE 57 6.051 3.694 3.694 423 3HD1 ILE 57 1HD1 ILE 57 5.865 2.236 2.236 424 H VAL 58 H VAL 58 10.944 6.347 6.347 425 HA VAL 58 HA VAL 58 10.027 7.688 7.688 426 HB VAL 58 HB VAL 58 12.021 8.427 8.427 427 1HG1 VAL 58 3HG2 VAL 58 11.033 10.145 10.145 428 2HG1 VAL 58 1HG2 VAL 58 11.856 10.762 10.762 429 3HG1 VAL 58 2HG2 VAL 58 12.718 9.690 9.690 430 1HG2 VAL 58 3HG1 VAL 58 9.531 8.259 8.259 431 2HG2 VAL 58 2HG1 VAL 58 10.208 9.882 9.882 432 3HG2 VAL 58 1HG1 VAL 58 9.240 9.504 9.504 433 H ALA 59 H ALA 59 13.344 6.531 6.531 434 HA ALA 59 HA ALA 59 14.609 7.280 7.280 435 1HB ALA 59 2HB ALA 59 15.243 4.984 4.984 436 2HB ALA 59 3HB ALA 59 16.327 5.607 5.607 437 3HB ALA 59 1HB ALA 59 15.859 6.647 6.647 438 H LEU 60 H LEU 60 12.862 4.287 4.287 439 HA LEU 60 HA LEU 60 13.381 2.801 2.801 440 1HB LEU 60 2HB LEU 60 12.226 1.997 1.997 441 2HB LEU 60 1HB LEU 60 10.815 2.955 2.955 442 HG LEU 60 HG LEU 60 10.403 1.660 1.660 443 1HD1 LEU 60 3HD2 LEU 60 12.786 -0.038 -0.038 444 2HD1 LEU 60 2HD2 LEU 60 11.629 -0.482 -0.482 445 3HD1 LEU 60 1HD2 LEU 60 12.681 0.916 0.916 446 1HD2 LEU 60 2HD1 LEU 60 9.397 0.984 0.984 447 2HD2 LEU 60 1HD1 LEU 60 9.696 -0.412 -0.412 448 3HD2 LEU 60 3HD1 LEU 60 10.787 -0.082 -0.082 449 H GLY 61 H GLY 61 10.717 5.120 5.120 450 1HA GLY 61 1HA GLY 61 9.517 5.150 5.150 451 2HA GLY 61 2HA GLY 61 9.548 6.510 6.510 452 H ALA 62 H ALA 62 12.032 7.340 7.340 453 HA ALA 62 HA ALA 62 12.504 8.875 8.875 454 1HB ALA 62 1HB ALA 62 13.368 9.366 9.366 455 2HB ALA 62 3HB ALA 62 14.564 8.062 8.062 456 3HB ALA 62 2HB ALA 62 14.626 9.481 9.481 457 H SER 63 H SER 63 13.957 5.685 5.685 458 HA SER 63 HA SER 63 15.815 5.771 5.771 459 1HB SER 63 2HB SER 63 16.214 3.447 3.447 460 2HB SER 63 1HB SER 63 16.085 4.313 4.313 461 HG SER 63 HG SER 63 13.777 3.558 3.558 462 H GLY 64 H GLY 64 12.432 5.571 5.571 463 1HA GLY 64 1HA GLY 64 11.458 5.723 5.723 464 2HA GLY 64 2HA GLY 64 12.579 4.520 4.520 465 H PHE 65 H PHE 65 11.382 3.665 3.665 466 HA PHE 65 HA PHE 65 9.971 1.390 1.390 467 1HB PHE 65 1HB PHE 65 11.102 1.349 1.349 468 2HB PHE 65 2HB PHE 65 10.019 2.628 2.628 469 HD1 PHE 65 HD2 PHE 65 7.608 2.233 2.233 470 HD2 PHE 65 HD1 PHE 65 10.264 -0.993 -0.993 471 HE1 PHE 65 HE2 PHE 65 6.158 0.656 0.656 472 HE2 PHE 65 HE1 PHE 65 8.724 -2.601 -2.601 473 HZ PHE 65 HZ PHE 65 6.699 -1.773 -1.773 474 H ALA 66 H ALA 66 7.828 1.148 1.148 475 HA ALA 66 HA ALA 66 5.877 3.227 3.227 476 1HB ALA 66 2HB ALA 66 6.009 1.890 1.890 477 2HB ALA 66 1HB ALA 66 4.709 2.951 2.951 478 3HB ALA 66 3HB ALA 66 6.342 3.604 3.604 479 H TRP 67 H TRP 67 4.123 2.236 2.236 480 HA TRP 67 HA TRP 67 4.293 -0.494 -0.494 481 1HB TRP 67 1HB TRP 67 2.329 1.810 1.810 482 2HB TRP 67 2HB TRP 67 1.866 0.222 0.222 483 HD1 TRP 67 HD1 TRP 67 2.923 3.148 3.148 484 HE1 TRP 67 HE1 TRP 67 3.815 2.646 2.646 485 HE3 TRP 67 HE3 TRP 67 3.751 -1.891 -1.891 486 HZ2 TRP 67 HZ2 TRP 67 5.004 0.473 0.473 487 HZ3 TRP 67 HZ3 TRP 67 4.942 -3.102 -3.102 488 HH2 TRP 67 HH2 TRP 67 5.736 -1.875 -1.875 489 H THR 68 H THR 68 2.877 -2.125 -2.125 490 HA THR 68 HA THR 68 1.107 -1.891 -1.891 491 HB THR 68 HB THR 68 2.063 -3.785 -3.785 492 HG1 THR 68 HG1 THR 68 4.363 -3.965 -3.965 493 1HG2 THR 68 2HG2 THR 68 3.092 -1.592 -1.592 494 2HG2 THR 68 3HG2 THR 68 4.401 -1.930 -1.930 495 3HG2 THR 68 1HG2 THR 68 4.181 -2.974 -2.974 496 H GLU 69 HN GLU 69 -0.240 -3.967 -3.967 497 HA GLU 69 HA GLU 69 -1.122 -4.771 -4.771 498 1HB GLU 69 1HB GLU 69 -1.215 -6.304 -6.304 499 2HB GLU 69 2HB GLU 69 -2.186 -6.661 -6.661 500 1HG GLU 69 1HG GLU 69 -3.037 -4.238 -4.238 501 2HG GLU 69 2HG GLU 69 -2.286 -4.140 -4.140 502 H GLU 70 HN GLU 70 1.423 -6.175 -6.175 503 HA GLU 70 HA GLU 70 1.853 -8.555 -8.555 504 1HB GLU 70 2HB GLU 70 3.754 -7.072 -7.072 505 2HB GLU 70 1HB GLU 70 3.920 -8.734 -8.734 506 1HG GLU 70 1HG GLU 70 1.723 -9.294 -9.294 507 2HG GLU 70 2HG GLU 70 1.678 -7.666 -7.666 508 H ASP 71 HN ASP 71 3.534 -5.365 -5.365 509 HA ASP 71 HA ASP 71 5.465 -5.961 -5.961 510 1HB ASP 71 1HB ASP 71 4.265 -3.386 -3.386 511 2HB ASP 71 2HB ASP 71 5.446 -3.398 -3.398 512 H ILE 72 H ILE 72 2.214 -4.434 -4.434 513 HA ILE 72 HA ILE 72 2.276 -3.979 -3.979 514 HB ILE 72 HB ILE 72 -0.061 -4.617 -4.617 515 1HG1 ILE 72 1HG1 ILE 72 1.347 -2.494 -2.494 516 2HG1 ILE 72 2HG1 ILE 72 -0.405 -2.337 -2.337 517 1HG2 ILE 72 3HG2 ILE 72 -0.066 -3.571 -3.571 518 2HG2 ILE 72 2HG2 ILE 72 -1.459 -3.489 -3.489 519 3HG2 ILE 72 1HG2 ILE 72 -0.817 -5.054 -5.054 520 1HD1 ILE 72 1HD1 ILE 72 1.529 -1.793 -1.793 521 2HD1 ILE 72 3HD1 ILE 72 0.960 -0.582 -0.582 522 3HD1 ILE 72 2HD1 ILE 72 -0.208 -1.374 -1.374 523 H ALA 73 H ALA 73 0.900 -6.708 -6.708 524 HA ALA 73 HA ALA 73 0.053 -8.355 -8.355 525 1HB ALA 73 3HB ALA 73 1.271 -9.104 -9.104 526 2HB ALA 73 2HB ALA 73 0.338 -10.192 -10.192 527 3HB ALA 73 1HB ALA 73 -0.441 -8.764 -8.764 528 H THR 74 H THR 74 3.358 -8.089 -8.089 529 HA THR 74 HA THR 74 4.436 -10.164 -10.164 530 HB THR 74 HB THR 74 5.934 -7.884 -7.884 531 HG1 THR 74 HG1 THR 74 4.653 -8.957 -8.957 532 1HG2 THR 74 2HG2 THR 74 7.249 -9.314 -9.314 533 2HG2 THR 74 1HG2 THR 74 6.749 -10.747 -10.747 534 3HG2 THR 74 3HG2 THR 74 7.774 -9.520 -9.520 535 H TYR 75 H TYR 75 4.662 -6.553 -6.553 536 HA TYR 75 HA TYR 75 6.167 -6.368 -6.368 537 1HB TYR 75 2HB TYR 75 5.905 -4.484 -4.484 538 2HB TYR 75 1HB TYR 75 4.173 -4.504 -4.504 539 HD1 TYR 75 HD1 TYR 75 7.022 -4.295 -4.295 540 HD2 TYR 75 HD2 TYR 75 3.063 -2.972 -2.972 541 HE1 TYR 75 HE1 TYR 75 7.136 -2.542 -2.542 542 HE2 TYR 75 HE2 TYR 75 3.196 -1.238 -1.238 543 HH TYR 75 HH TYR 75 6.054 -0.660 -0.660 544 H VAL 76 H VAL 76 2.571 -6.549 -6.549 545 HA VAL 76 HA VAL 76 2.149 -6.118 -6.118 546 HB VAL 76 HB VAL 76 0.116 -7.487 -7.487 547 1HG1 VAL 76 2HG1 VAL 76 0.079 -5.080 -5.080 548 2HG1 VAL 76 1HG1 VAL 76 0.537 -5.386 -5.386 549 3HG1 VAL 76 3HG1 VAL 76 -1.034 -5.940 -5.940 550 1HG2 VAL 76 1HG2 VAL 76 0.807 -9.145 -9.145 551 2HG2 VAL 76 2HG2 VAL 76 -0.714 -8.327 -8.327 552 3HG2 VAL 76 3HG2 VAL 76 0.765 -7.851 -7.851 553 H LYS 77 HN LYS 77 3.271 -9.078 -9.078 554 HA LYS 77 HA LYS 77 3.134 -10.517 -10.517 555 1HB LYS 77 2HB LYS 77 3.659 -12.514 -12.514 556 2HB LYS 77 1HB LYS 77 2.203 -11.725 -11.725 557 1HG LYS 77 1HG LYS 77 3.284 -10.890 -10.890 558 2HG LYS 77 2HG LYS 77 4.897 -11.346 -11.346 559 1HD LYS 77 2HD LYS 77 2.674 -13.354 -13.354 560 2HD LYS 77 1HD LYS 77 3.835 -12.815 -12.815 561 1HE LYS 77 1HE LYS 77 5.726 -13.589 -13.589 562 2HE LYS 77 2HE LYS 77 4.567 -14.221 -14.221 563 1HZ LYS 77 2HZ LYS 77 4.794 -15.077 -15.077 564 2HZ LYS 77 1HZ LYS 77 5.326 -15.908 -15.908 565 3HZ LYS 77 3HZ LYS 77 3.711 -15.661 -15.661 566 H ASP 78 HN ASP 78 5.297 -8.399 -8.399 567 HA ASP 78 HA ASP 78 7.583 -9.619 -9.619 568 1HB ASP 78 1HB ASP 78 7.538 -8.995 -8.995 569 2HB ASP 78 2HB ASP 78 9.031 -9.150 -9.150 570 HA PRO 79 HA PRO 79 7.143 -4.935 -4.935 571 1HB PRO 79 1HB PRO 79 7.435 -5.543 -5.543 572 2HB PRO 79 2HB PRO 79 6.366 -4.353 -4.353 573 1HG PRO 79 2HG PRO 79 5.434 -6.685 -6.685 574 2HG PRO 79 1HG PRO 79 4.789 -6.008 -6.008 575 1HD PRO 79 2HD PRO 79 6.785 -8.253 -8.253 576 2HD PRO 79 1HD PRO 79 5.394 -8.115 -8.115 577 H GLY 80 H GLY 80 9.023 -3.695 -3.695 578 1HA GLY 80 1HA GLY 80 11.282 -3.203 -3.203 579 2HA GLY 80 2HA GLY 80 11.349 -4.478 -4.478 580 H ALA 81 H ALA 81 11.135 -6.789 -6.789 581 HA ALA 81 HA ALA 81 13.416 -7.520 -7.520 582 1HB ALA 81 2HB ALA 81 10.671 -8.825 -8.825 583 2HB ALA 81 3HB ALA 81 12.176 -9.601 -9.601 584 3HB ALA 81 1HB ALA 81 11.987 -9.108 -9.108 585 H PHE 82 H PHE 82 10.198 -6.771 -6.771 586 HA PHE 82 HA PHE 82 10.770 -7.158 -7.158 587 1HB PHE 82 1HB PHE 82 8.575 -6.690 -6.690 588 2HB PHE 82 2HB PHE 82 9.067 -5.080 -5.080 589 HD1 PHE 82 HD2 PHE 82 8.544 -7.288 -7.288 590 HD2 PHE 82 HD1 PHE 82 8.893 -3.236 -3.236 591 HE1 PHE 82 HE2 PHE 82 7.683 -6.432 -6.432 592 HE2 PHE 82 HE1 PHE 82 8.054 -2.394 -2.394 593 HZ PHE 82 HZ PHE 82 7.383 -4.014 -4.014 594 H LEU 83 H LEU 83 11.132 -4.111 -4.111 595 HA LEU 83 HA LEU 83 12.144 -2.533 -2.533 596 1HB LEU 83 2HB LEU 83 12.340 -2.275 -2.275 597 2HB LEU 83 1HB LEU 83 12.915 -1.139 -1.139 598 HG LEU 83 HG LEU 83 10.398 -1.301 -1.301 599 1HD1 LEU 83 1HD2 LEU 83 10.180 -1.829 -1.829 600 2HD1 LEU 83 2HD2 LEU 83 8.853 -1.281 -1.281 601 3HD1 LEU 83 3HD2 LEU 83 9.572 -2.882 -2.882 602 1HD2 LEU 83 1HD1 LEU 83 11.311 0.357 0.357 603 2HD2 LEU 83 2HD1 LEU 83 11.594 0.767 0.767 604 3HD2 LEU 83 3HD1 LEU 83 9.945 0.753 0.753 605 H LYS 84 HN LYS 84 13.725 -4.412 -4.412 606 HA LYS 84 HA LYS 84 16.411 -3.764 -3.764 607 1HB LYS 84 2HB LYS 84 15.189 -6.344 -6.344 608 2HB LYS 84 1HB LYS 84 16.927 -6.030 -6.030 609 1HG LYS 84 2HG LYS 84 16.788 -4.211 -4.211 610 2HG LYS 84 1HG LYS 84 15.009 -4.156 -4.156 611 1HD LYS 84 2HD LYS 84 14.842 -6.312 -6.312 612 2HD LYS 84 1HD LYS 84 16.596 -6.520 -6.520 613 1HE LYS 84 2HE LYS 84 16.006 -5.821 -5.821 614 2HE LYS 84 1HE LYS 84 16.858 -4.482 -4.482 615 1HZ LYS 84 1HZ LYS 84 14.700 -3.500 -3.500 616 2HZ LYS 84 2HZ LYS 84 13.945 -4.746 -4.746 617 3HZ LYS 84 3HZ LYS 84 14.927 -3.731 -3.731 618 H GLU 85 HN GLU 85 14.443 -6.511 -6.511 619 HA GLU 85 HA GLU 85 16.293 -7.523 -7.523 620 1HB GLU 85 2HB GLU 85 14.261 -8.696 -8.696 621 2HB GLU 85 1HB GLU 85 13.243 -7.416 -7.416 622 1HG GLU 85 2HG GLU 85 14.054 -7.896 -7.896 623 2HG GLU 85 1HG GLU 85 15.151 -9.121 -9.121 624 H LYS 86 HN LYS 86 13.663 -5.180 -5.180 625 HA LYS 86 HA LYS 86 14.354 -4.768 -4.768 626 1HB LYS 86 1HB LYS 86 12.833 -3.027 -3.027 627 2HB LYS 86 2HB LYS 86 12.902 -2.703 -2.703 628 1HG LYS 86 1HG LYS 86 11.834 -5.324 -5.324 629 2HG LYS 86 2HG LYS 86 10.837 -3.903 -3.903 630 1HD LYS 86 2HD LYS 86 11.507 -3.949 -3.949 631 2HD LYS 86 1HD LYS 86 12.463 -5.418 -5.418 632 1HE LYS 86 1HE LYS 86 10.433 -6.619 -6.619 633 2HE LYS 86 2HE LYS 86 9.470 -5.148 -5.148 634 1HZ LYS 86 1HZ LYS 86 9.999 -5.216 -5.216 635 2HZ LYS 86 3HZ LYS 86 10.898 -6.587 -6.587 636 3HZ LYS 86 2HZ LYS 86 9.272 -6.612 -6.612 637 H LEU 87 H LEU 87 15.127 -2.669 -2.669 638 HA LEU 87 HA LEU 87 16.571 -0.852 -0.852 639 1HB LEU 87 1HB LEU 87 14.883 -0.138 -0.138 640 2HB LEU 87 2HB LEU 87 16.025 -0.665 -0.665 641 HG LEU 87 HG LEU 87 17.642 1.045 1.045 642 1HD1 LEU 87 3HD2 LEU 87 15.497 1.747 1.747 643 2HD1 LEU 87 1HD2 LEU 87 16.820 2.838 2.838 644 3HD1 LEU 87 2HD2 LEU 87 17.186 1.296 1.296 645 1HD2 LEU 87 2HD1 LEU 87 15.915 1.558 1.558 646 2HD2 LEU 87 3HD1 LEU 87 16.416 2.982 2.982 647 3HD2 LEU 87 1HD1 LEU 87 14.860 2.198 2.198 648 H ASP 88 HN ASP 88 17.403 -3.352 -3.352 649 HA ASP 88 HA ASP 88 19.331 -4.029 -4.029 650 1HB ASP 88 1HB ASP 88 19.837 -4.455 -4.455 651 2HB ASP 88 2HB ASP 88 20.536 -2.835 -2.835 652 H ASP 89 HN ASP 89 18.438 -1.941 -1.941 653 HA ASP 89 HA ASP 89 20.748 -0.125 -0.125 654 1HB ASP 89 1HB ASP 89 19.043 1.191 1.191 655 2HB ASP 89 2HB ASP 89 17.766 0.378 0.378 656 H LYS 90 HN LYS 90 21.525 -0.255 -0.255 657 HA LYS 90 HA LYS 90 20.922 -2.275 -2.275 658 1HB LYS 90 2HB LYS 90 23.050 -1.011 -1.011 659 2HB LYS 90 1HB LYS 90 22.227 0.436 0.436 660 1HG LYS 90 1HG LYS 90 21.792 -0.702 -0.702 661 2HG LYS 90 2HG LYS 90 22.430 -2.216 -2.216 662 1HD LYS 90 2HD LYS 90 24.086 -1.182 -1.182 663 2HD LYS 90 1HD LYS 90 24.675 -1.197 -1.197 664 1HE LYS 90 1HE LYS 90 24.112 1.195 1.195 665 2HE LYS 90 2HE LYS 90 23.363 1.213 1.213 666 1HZ LYS 90 3HZ LYS 90 26.195 0.696 0.696 667 2HZ LYS 90 2HZ LYS 90 25.566 2.098 2.098 668 3HZ LYS 90 1HZ LYS 90 25.508 0.723 0.723 669 H LYS 91 HN LYS 91 19.719 1.115 1.115 670 HA LYS 91 HA LYS 91 18.144 0.663 0.663 671 1HB LYS 91 1HB LYS 91 17.687 3.044 3.044 672 2HB LYS 91 2HB LYS 91 19.422 2.722 2.722 673 1HG LYS 91 2HG LYS 91 19.658 3.329 3.329 674 2HG LYS 91 1HG LYS 91 17.907 3.208 3.208 675 1HD LYS 91 2HD LYS 91 17.510 5.188 5.188 676 2HD LYS 91 1HD LYS 91 19.242 5.304 5.304 677 1HE LYS 91 1HE LYS 91 18.580 6.880 6.880 678 2HE LYS 91 2HE LYS 91 19.747 5.685 5.685 679 1HZ LYS 91 3HZ LYS 91 16.839 5.545 5.545 680 2HZ LYS 91 1HZ LYS 91 17.942 6.042 6.042 681 3HZ LYS 91 2HZ LYS 91 17.951 4.482 4.482 682 H ALA 92 H ALA 92 17.500 -0.679 -0.679 683 HA ALA 92 HA ALA 92 15.062 0.535 0.535 684 1HB ALA 92 3HB ALA 92 16.221 -2.218 -2.218 685 2HB ALA 92 2HB ALA 92 14.763 -1.642 -1.642 686 3HB ALA 92 1HB ALA 92 16.310 -0.856 -0.856 687 H LYS 93 HN LYS 93 14.372 0.845 0.845 688 HA LYS 93 HA LYS 93 12.912 -1.384 -1.384 689 1HB LYS 93 1HB LYS 93 12.654 0.216 0.216 690 2HB LYS 93 2HB LYS 93 14.330 0.224 0.224 691 1HG LYS 93 1HG LYS 93 13.597 2.275 2.275 692 2HG LYS 93 2HG LYS 93 12.177 2.330 2.330 693 1HD LYS 93 2HD LYS 93 13.671 2.526 2.526 694 2HD LYS 93 1HD LYS 93 15.089 2.458 2.458 695 1HE LYS 93 2HE LYS 93 12.931 4.622 4.622 696 2HE LYS 93 1HE LYS 93 14.546 4.779 4.779 697 1HZ LYS 93 2HZ LYS 93 15.461 4.384 4.384 698 2HZ LYS 93 1HZ LYS 93 13.948 4.337 4.337 699 3HZ LYS 93 3HZ LYS 93 14.504 5.728 5.728 700 H THR 94 H THR 94 10.559 -0.441 -0.441 701 HA THR 94 HA THR 94 9.346 1.486 1.486 702 HB THR 94 HB THR 94 9.123 -0.538 -0.538 703 HG1 THR 94 HG1 THR 94 7.459 1.090 1.090 704 1HG2 THR 94 1HG2 THR 94 9.071 -2.285 -2.285 705 2HG2 THR 94 3HG2 THR 94 7.486 -1.697 -1.697 706 3HG2 THR 94 2HG2 THR 94 7.659 -2.395 -2.395 707 H GLY 95 H GLY 95 7.358 2.206 2.206 708 1HA GLY 95 1HA GLY 95 7.267 2.048 2.048 709 2HA GLY 95 2HA GLY 95 6.053 2.777 2.777 710 H MET 96 H MET 96 5.751 0.194 0.194 711 HA MET 96 HA MET 96 3.559 -0.750 -0.750 712 1HB MET 96 1HB MET 96 3.906 -0.798 -0.798 713 2HB MET 96 2HB MET 96 4.920 -2.200 -2.200 714 1HG MET 96 1HG MET 96 3.168 -3.532 -3.532 715 2HG MET 96 2HG MET 96 2.244 -2.215 -2.215 716 1HE MET 96 3HE MET 96 3.475 -2.993 -2.993 717 2HE MET 96 2HE MET 96 2.765 -4.514 -4.514 718 3HE MET 96 1HE MET 96 1.939 -3.584 -3.584 719 H ALA 97 H ALA 97 4.534 -1.275 -1.275 720 HA ALA 97 HA ALA 97 5.935 -3.814 -3.814 721 1HB ALA 97 1HB ALA 97 6.187 -1.978 -1.978 722 2HB ALA 97 2HB ALA 97 4.466 -2.099 -2.099 723 3HB ALA 97 3HB ALA 97 5.569 -3.446 -3.446 724 H PHE 98 H PHE 98 4.063 -4.611 -4.611 725 HA PHE 98 HA PHE 98 2.401 -6.496 -6.496 726 1HB PHE 98 1HB PHE 98 0.788 -4.782 -4.782 727 2HB PHE 98 2HB PHE 98 1.305 -3.957 -3.957 728 HD1 PHE 98 HD2 PHE 98 0.626 -4.629 -4.629 729 HD2 PHE 98 HD1 PHE 98 -0.821 -6.734 -6.734 730 HE1 PHE 98 HE2 PHE 98 -0.915 -5.901 -5.901 731 HE2 PHE 98 HE1 PHE 98 -2.441 -7.948 -7.948 732 HZ PHE 98 HZ PHE 98 -2.507 -7.540 -7.540 733 H LYS 99 HN LYS 99 1.589 -8.073 -8.073 734 HA LYS 99 HA LYS 99 2.027 -7.541 -7.541 735 1HB LYS 99 1HB LYS 99 3.250 -9.556 -9.556 736 2HB LYS 99 2HB LYS 99 4.178 -8.469 -8.469 737 1HG LYS 99 2HG LYS 99 4.152 -9.863 -9.863 738 2HG LYS 99 1HG LYS 99 2.744 -10.790 -10.790 739 1HD LYS 99 2HD LYS 99 5.255 -10.747 -10.747 740 2HD LYS 99 1HD LYS 99 5.190 -11.803 -11.803 741 1HE LYS 99 2HE LYS 99 3.208 -12.947 -12.947 742 2HE LYS 99 1HE LYS 99 3.071 -11.827 -11.827 743 1HZ LYS 99 1HZ LYS 99 5.311 -13.660 -13.660 744 2HZ LYS 99 2HZ LYS 99 4.097 -13.860 -13.860 745 3HZ LYS 99 3HZ LYS 99 5.158 -12.611 -12.611 746 H LEU 100 H LEU 100 1.239 -9.349 -9.349 747 HA LEU 100 HA LEU 100 -1.207 -10.533 -10.533 748 1HB LEU 100 1HB LEU 100 -1.611 -8.680 -8.680 749 2HB LEU 100 2HB LEU 100 -0.672 -9.540 -9.540 750 HG LEU 100 HG LEU 100 -2.275 -11.434 -11.434 751 1HD1 LEU 100 1HD2 LEU 100 -3.713 -9.681 -9.681 752 2HD1 LEU 100 2HD2 LEU 100 -4.517 -10.994 -10.994 753 3HD1 LEU 100 3HD2 LEU 100 -3.186 -11.366 -11.366 754 1HD2 LEU 100 2HD1 LEU 100 -2.538 -9.602 -9.602 755 2HD2 LEU 100 1HD1 LEU 100 -4.114 -10.252 -10.252 756 3HD2 LEU 100 3HD1 LEU 100 -3.541 -8.714 -8.714 757 H ALA 101 H ALA 101 -0.901 -12.699 -12.699 758 HA ALA 101 HA ALA 101 1.238 -14.019 -14.019 759 1HB ALA 101 2HB ALA 101 0.899 -14.419 -14.419 760 2HB ALA 101 1HB ALA 101 -0.739 -15.038 -15.038 761 3HB ALA 101 3HB ALA 101 0.689 -15.910 -15.910 762 H LYS 102 HN LYS 102 -0.278 -13.113 -13.113 763 HA LYS 102 HA LYS 102 -1.597 -15.493 -15.493 764 1HB LYS 102 2HB LYS 102 -2.824 -12.699 -12.699 765 2HB LYS 102 1HB LYS 102 -3.348 -14.117 -14.117 766 1HG LYS 102 2HG LYS 102 -3.940 -15.295 -15.295 767 2HG LYS 102 1HG LYS 102 -3.391 -13.915 -13.915 768 1HD LYS 102 2HD LYS 102 -5.842 -13.907 -13.907 769 2HD LYS 102 1HD LYS 102 -5.101 -12.465 -12.465 770 1HE LYS 102 1HE LYS 102 -6.952 -13.341 -13.341 771 2HE LYS 102 2HE LYS 102 -5.433 -13.268 -13.268 772 1HZ LYS 102 2HZ LYS 102 -6.587 -15.676 -15.676 773 2HZ LYS 102 1HZ LYS 102 -6.591 -15.314 -15.314 774 3HZ LYS 102 3HZ LYS 102 -5.167 -15.618 -15.618 775 H GLY 103 H GLY 103 -1.797 -15.109 -15.109 776 1HA GLY 103 1HA GLY 103 0.707 -14.190 -14.190 777 2HA GLY 103 2HA GLY 103 -0.718 -14.663 -14.663 778 H GLY 104 H GLY 104 -2.190 -12.481 -12.481 779 1HA GLY 104 1HA GLY 104 -2.678 -10.269 -10.269 780 2HA GLY 104 2HA GLY 104 -1.102 -9.971 -9.971 781 H GLU 105 HN GLU 105 -2.696 -12.208 -12.208 782 HA GLU 105 HA GLU 105 -3.053 -10.401 -10.401 783 1HB GLU 105 2HB GLU 105 -4.070 -12.266 -12.266 784 2HB GLU 105 1HB GLU 105 -2.660 -12.796 -12.796 785 1HG GLU 105 1HG GLU 105 -5.597 -13.351 -13.351 786 2HG GLU 105 2HG GLU 105 -4.288 -14.460 -14.460 787 H ASP 106 HN ASP 106 -5.394 -11.724 -11.724 788 HA ASP 106 HA ASP 106 -7.779 -10.669 -10.669 789 1HB ASP 106 1HB ASP 106 -8.681 -11.095 -11.095 790 2HB ASP 106 2HB ASP 106 -7.629 -12.430 -12.430 791 H VAL 107 H VAL 107 -5.615 -9.380 -9.380 792 HA VAL 107 HA VAL 107 -6.938 -6.907 -6.907 793 HB VAL 107 HB VAL 107 -4.130 -7.990 -7.990 794 1HG1 VAL 107 1HG2 VAL 107 -5.072 -5.222 -5.222 795 2HG1 VAL 107 2HG2 VAL 107 -3.613 -6.069 -6.069 796 3HG1 VAL 107 3HG2 VAL 107 -3.733 -5.607 -5.607 797 1HG2 VAL 107 2HG1 VAL 107 -5.998 -8.824 -8.824 798 2HG2 VAL 107 1HG1 VAL 107 -4.829 -7.875 -7.875 799 3HG2 VAL 107 3HG1 VAL 107 -6.380 -7.153 -7.153 800 H ALA 108 H ALA 108 -4.126 -7.675 -7.675 801 HA ALA 108 HA ALA 108 -3.804 -5.060 -5.060 802 1HB ALA 108 1HB ALA 108 -2.157 -6.869 -6.869 803 2HB ALA 108 3HB ALA 108 -3.289 -7.742 -7.742 804 3HB ALA 108 2HB ALA 108 -2.642 -6.165 -6.165 805 H ALA 109 H ALA 109 -5.810 -7.763 -7.763 806 HA ALA 109 HA ALA 109 -6.924 -6.388 -6.388 807 1HB ALA 109 1HB ALA 109 -7.084 -8.806 -8.806 808 2HB ALA 109 2HB ALA 109 -8.154 -8.587 -8.587 809 3HB ALA 109 3HB ALA 109 -8.690 -8.088 -8.088 810 H TYR 110 H TYR 110 -8.039 -6.586 -6.586 811 HA TYR 110 HA TYR 110 -10.397 -5.057 -5.057 812 1HB TYR 110 2HB TYR 110 -10.185 -6.289 -6.289 813 2HB TYR 110 1HB TYR 110 -8.643 -5.552 -5.552 814 HD1 TYR 110 HD2 TYR 110 -12.185 -4.487 -4.487 815 HD2 TYR 110 HD1 TYR 110 -8.635 -3.839 -3.839 816 HE1 TYR 110 HE2 TYR 110 -13.361 -2.730 -2.730 817 HE2 TYR 110 HE1 TYR 110 -9.804 -2.055 -2.055 818 HH TYR 110 HH TYR 110 -11.821 -1.052 -1.052 819 H LEU 111 H LEU 111 -7.057 -3.952 -3.952 820 HA LEU 111 HA LEU 111 -7.793 -1.189 -1.189 821 1HB LEU 111 1HB LEU 111 -5.108 -2.458 -2.458 822 2HB LEU 111 2HB LEU 111 -5.376 -0.736 -0.736 823 HG LEU 111 HG LEU 111 -5.827 -2.998 -2.998 824 1HD1 LEU 111 2HD2 LEU 111 -3.474 -2.370 -2.370 825 2HD1 LEU 111 3HD2 LEU 111 -3.850 -0.679 -0.679 826 3HD1 LEU 111 1HD2 LEU 111 -3.974 -1.934 -1.934 827 1HD2 LEU 111 3HD1 LEU 111 -6.406 -0.017 -0.017 828 2HD2 LEU 111 2HD1 LEU 111 -7.523 -1.370 -1.370 829 3HD2 LEU 111 1HD1 LEU 111 -6.188 -1.080 -1.080 830 H ALA 112 H ALA 112 -6.523 -3.132 -3.132 831 HA ALA 112 HA ALA 112 -6.490 -1.070 -1.070 832 1HB ALA 112 3HB ALA 112 -5.513 -3.295 -3.295 833 2HB ALA 112 1HB ALA 112 -7.133 -4.022 -4.022 834 3HB ALA 112 2HB ALA 112 -6.638 -2.874 -2.874 835 H SER 113 H SER 113 -9.193 -3.188 -3.188 836 HA SER 113 HA SER 113 -11.107 -2.152 -2.152 837 1HB SER 113 1HB SER 113 -11.620 -3.399 -3.399 838 2HB SER 113 2HB SER 113 -12.771 -3.229 -3.229 839 HG SER 113 HG SER 113 -10.357 -4.746 -4.746 840 H VAL 114 H VAL 114 -10.176 -1.162 -1.162 841 HA VAL 114 HA VAL 114 -12.322 0.585 0.585 842 HB VAL 114 HB VAL 114 -9.615 -0.037 -0.037 843 1HG1 VAL 114 1HG2 VAL 114 -10.997 2.513 2.513 844 2HG1 VAL 114 2HG2 VAL 114 -9.636 1.713 1.713 845 3HG1 VAL 114 3HG2 VAL 114 -9.391 2.369 2.369 846 1HG2 VAL 114 1HG1 VAL 114 -11.713 -1.158 -1.158 847 2HG2 VAL 114 3HG1 VAL 114 -10.878 -0.328 -0.328 848 3HG2 VAL 114 2HG1 VAL 114 -12.322 0.402 0.402 849 H VAL 115 H VAL 115 -9.153 1.247 1.247 850 HA VAL 115 HA VAL 115 -9.595 4.089 4.089 851 HB VAL 115 HB VAL 115 -7.438 3.214 3.214 852 1HG1 VAL 115 2HG2 VAL 115 -7.507 1.248 1.248 853 2HG1 VAL 115 3HG2 VAL 115 -7.718 2.231 2.231 854 3HG1 VAL 115 1HG2 VAL 115 -6.219 2.329 2.329 855 1HG2 VAL 115 2HG1 VAL 115 -7.793 5.496 5.496 856 2HG2 VAL 115 3HG1 VAL 115 -6.339 4.752 4.752 857 3HG2 VAL 115 1HG1 VAL 115 -7.806 4.877 4.877 858 H LYS 116 HN LYS 116 -11.768 4.229 4.229 859 HA LYS 116 HA LYS 116 -11.854 5.088 5.088 860 1HB LYS 116 2HB LYS 116 -13.419 3.739 3.739 861 2HB LYS 116 1HB LYS 116 -12.511 2.566 2.566 862 1HG LYS 116 1HG LYS 116 -15.289 3.691 3.691 863 2HG LYS 116 2HG LYS 116 -14.817 2.091 2.091 864 1HD LYS 116 2HD LYS 116 -15.312 1.670 1.670 865 2HD LYS 116 1HD LYS 116 -13.565 1.875 1.875 866 1HE LYS 116 1HE LYS 116 -14.960 2.905 2.905 867 2HE LYS 116 2HE LYS 116 -13.791 3.979 3.979 868 1HZ LYS 116 2HZ LYS 116 -16.636 3.934 3.934 869 2HZ LYS 116 3HZ LYS 116 -15.910 5.012 5.012 870 3HZ LYS 116 1HZ LYS 116 -15.481 4.980 4.980 871 HHA HEC 117 HHA HEM 117 2.851 2.355 2.355 872 HHB HEC 117 HHB HEM 117 -1.154 -2.008 -2.008 873 HHC HEC 117 HHC HEM 117 -2.642 -3.784 -3.784 874 HHD HEC 117 HHD HEM 117 1.371 0.665 0.665 875 1HMA HEC 117 1HMA HEM 117 1.390 -0.128 -0.128 876 2HMA HEC 117 2HMA HEM 117 0.751 -1.682 -1.682 877 3HMA HEC 117 3HMA HEM 117 -0.353 -0.295 -0.295 878 1HAA HEC 117 1HAA HEM 117 3.214 2.227 2.227 879 2HAA HEC 117 2HAA HEM 117 2.886 1.262 1.262 880 1HBA HEC 117 1HBA HEM 117 0.916 3.315 3.315 881 2HBA HEC 117 2HBA HEM 117 0.869 2.479 2.479 882 1HMB HEC 117 1HMB HEM 117 -3.531 -2.714 -2.714 883 2HMB HEC 117 2HMB HEM 117 -2.508 -4.152 -4.152 884 3HMB HEC 117 3HMB HEM 117 -4.094 -4.245 -4.245 885 HAB HEC 117 HAB HEM 117 -3.755 -5.005 -5.005 886 1HBB HEC 117 1HBB HEM 117 -3.666 -6.169 -6.169 887 2HBB HEC 117 2HBB HEM 117 -2.483 -6.514 -6.514 888 3HBB HEC 117 3HBB HEM 117 -4.193 -6.946 -6.946 889 1HMC HEC 117 1HMC HEM 117 -2.392 -4.131 -4.131 890 2HMC HEC 117 2HMC HEM 117 -3.503 -2.747 -2.747 891 3HMC HEC 117 3HMC HEM 117 -2.397 -3.018 -3.018 892 HAC HEC 117 HAC HEM 117 -0.735 -1.809 -1.809 893 1HBC HEC 117 1HBC HEM 117 1.522 -0.678 -0.678 894 2HBC HEC 117 2HBC HEM 117 0.559 -0.283 -0.283 895 3HBC HEC 117 3HBC HEM 117 0.596 0.866 0.866 896 1HMD HEC 117 1HMD HEM 117 2.029 3.222 3.222 897 2HMD HEC 117 2HMD HEM 117 3.685 3.469 3.469 898 3HMD HEC 117 3HMD HEM 117 3.255 1.975 1.975 899 1HAD HEC 117 1HAD HEM 117 4.212 4.013 4.013 900 2HAD HEC 117 2HAD HEM 117 3.542 4.039 4.039 901 1HBD HEC 117 1HBD HEM 117 5.395 1.822 1.822 902 2HBD HEC 117 2HBD HEM 117 5.065 2.344 2.344 Start of MODEL 12 1 1H GLY 1 1H GLY 1 -7.368 -11.107 -11.107 2 2H GLY 1 2H GLY 1 -7.551 -12.780 -12.780 3 1HA GLY 1 1HA GLY 1 -7.077 -12.979 -12.979 4 2HA GLY 1 2HA GLY 1 -6.838 -11.226 -11.226 5 H ASP 2 HN ASP 2 -8.771 -12.931 -12.931 6 HA ASP 2 HA ASP 2 -11.411 -12.436 -12.436 7 1HB ASP 2 1HB ASP 2 -10.867 -14.479 -14.479 8 2HB ASP 2 2HB ASP 2 -10.669 -13.487 -13.487 9 H ALA 3 H ALA 3 -11.400 -10.215 -10.215 10 HA ALA 3 HA ALA 3 -10.824 -8.244 -8.244 11 1HB ALA 3 1HB ALA 3 -11.580 -7.843 -7.843 12 2HB ALA 3 3HB ALA 3 -13.230 -8.356 -8.356 13 3HB ALA 3 2HB ALA 3 -12.544 -6.878 -6.878 14 H ALA 4 H ALA 4 -13.672 -10.397 -10.397 15 HA ALA 4 HA ALA 4 -15.082 -8.707 -8.707 16 1HB ALA 4 3HB ALA 4 -16.228 -10.442 -10.442 17 2HB ALA 4 1HB ALA 4 -15.380 -11.709 -11.709 18 3HB ALA 4 2HB ALA 4 -16.499 -10.619 -10.619 19 H LYS 5 HN LYS 5 -13.096 -11.747 -11.747 20 HA LYS 5 HA LYS 5 -12.921 -11.547 -11.547 21 1HB LYS 5 1HB LYS 5 -10.846 -12.670 -12.670 22 2HB LYS 5 2HB LYS 5 -10.956 -12.960 -12.960 23 1HG LYS 5 2HG LYS 5 -13.484 -13.607 -13.607 24 2HG LYS 5 1HG LYS 5 -12.762 -13.963 -13.963 25 1HD LYS 5 2HD LYS 5 -11.756 -15.119 -15.119 26 2HD LYS 5 1HD LYS 5 -12.860 -15.957 -15.957 27 1HE LYS 5 1HE LYS 5 -10.084 -14.990 -14.990 28 2HE LYS 5 2HE LYS 5 -10.423 -16.614 -16.614 29 1HZ LYS 5 2HZ LYS 5 -11.705 -15.451 -15.451 30 2HZ LYS 5 1HZ LYS 5 -10.439 -16.506 -16.506 31 3HZ LYS 5 3HZ LYS 5 -11.903 -16.975 -16.975 32 H GLY 6 H GLY 6 -10.888 -10.065 -10.065 33 1HA GLY 6 1HA GLY 6 -8.952 -8.815 -8.815 34 2HA GLY 6 2HA GLY 6 -9.627 -8.146 -8.146 35 H GLU 7 HN GLU 7 -12.191 -7.520 -7.520 36 HA GLU 7 HA GLU 7 -12.091 -5.089 -5.089 37 1HB GLU 7 1HB GLU 7 -13.847 -5.753 -5.753 38 2HB GLU 7 2HB GLU 7 -14.518 -6.885 -6.885 39 1HG GLU 7 1HG GLU 7 -15.073 -5.062 -5.062 40 2HG GLU 7 2HG GLU 7 -14.311 -3.883 -3.883 41 H LYS 8 HN LYS 8 -13.310 -8.273 -8.273 42 HA LYS 8 HA LYS 8 -14.045 -7.400 -7.400 43 1HB LYS 8 1HB LYS 8 -13.133 -10.149 -10.149 44 2HB LYS 8 2HB LYS 8 -13.903 -9.800 -9.800 45 1HG LYS 8 1HG LYS 8 -15.928 -8.991 -8.991 46 2HG LYS 8 2HG LYS 8 -15.171 -9.239 -9.239 47 1HD LYS 8 1HD LYS 8 -14.933 -11.692 -11.692 48 2HD LYS 8 2HD LYS 8 -15.778 -11.403 -11.403 49 1HE LYS 8 2HE LYS 8 -17.359 -12.271 -12.271 50 2HE LYS 8 1HE LYS 8 -17.773 -10.586 -10.586 51 1HZ LYS 8 3HZ LYS 8 -16.254 -11.525 -11.525 52 2HZ LYS 8 1HZ LYS 8 -17.840 -11.076 -11.076 53 3HZ LYS 8 2HZ LYS 8 -16.668 -9.961 -9.961 54 H GLU 9 HN GLU 9 -10.967 -8.954 -8.954 55 HA GLU 9 HA GLU 9 -9.598 -8.975 -8.975 56 1HB GLU 9 1HB GLU 9 -8.894 -8.951 -8.951 57 2HB GLU 9 2HB GLU 9 -7.699 -9.065 -9.065 58 1HG GLU 9 2HG GLU 9 -8.791 -11.107 -11.107 59 2HG GLU 9 1HG GLU 9 -9.987 -11.040 -11.040 60 H PHE 10 H PHE 10 -10.140 -6.333 -6.333 61 HA PHE 10 HA PHE 10 -8.062 -4.667 -4.667 62 1HB PHE 10 2HB PHE 10 -9.747 -4.290 -4.290 63 2HB PHE 10 1HB PHE 10 -10.824 -3.621 -3.621 64 HD1 PHE 10 HD1 PHE 10 -7.526 -3.233 -3.233 65 HD2 PHE 10 HD2 PHE 10 -10.339 -1.425 -1.425 66 HE1 PHE 10 HE1 PHE 10 -6.214 -1.136 -1.136 67 HE2 PHE 10 HE2 PHE 10 -9.020 0.683 0.683 68 HZ PHE 10 HZ PHE 10 -6.975 0.835 0.835 69 H ASN 11 H ASN 11 -10.785 -5.749 -5.749 70 HA ASN 11 HA ASN 11 -10.952 -3.673 -3.673 71 1HB ASN 11 1HB ASN 11 -11.839 -5.258 -5.258 72 2HB ASN 11 2HB ASN 11 -12.455 -5.665 -5.665 73 1HD2 ASN 11 2HD2 ASN 11 -11.221 -8.725 -8.725 74 2HD2 ASN 11 1HD2 ASN 11 -12.265 -7.390 -7.390 75 H LYS 12 HN LYS 12 -8.433 -6.174 -6.174 76 HA LYS 12 HA LYS 12 -7.027 -5.628 -5.628 77 1HB LYS 12 1HB LYS 12 -6.099 -6.758 -6.758 78 2HB LYS 12 2HB LYS 12 -5.120 -6.728 -6.728 79 1HG LYS 12 2HG LYS 12 -6.727 -8.088 -8.088 80 2HG LYS 12 1HG LYS 12 -7.853 -8.081 -8.081 81 1HD LYS 12 1HD LYS 12 -5.068 -9.315 -9.315 82 2HD LYS 12 2HD LYS 12 -6.556 -10.192 -10.192 83 1HE LYS 12 1HE LYS 12 -7.534 -9.337 -9.337 84 2HE LYS 12 2HE LYS 12 -5.901 -8.807 -8.807 85 1HZ LYS 12 1HZ LYS 12 -5.207 -11.104 -11.104 86 2HZ LYS 12 2HZ LYS 12 -6.758 -11.547 -11.547 87 3HZ LYS 12 3HZ LYS 12 -6.363 -10.965 -10.965 88 H CYS 13 H CYS 13 -6.609 -4.501 -4.501 89 HA CYS 13 HA CYS 13 -4.420 -2.782 -2.782 90 1HB CYS 13 1HB CYS 13 -6.730 -2.215 -2.215 91 2HB CYS 13 2HB CYS 13 -5.042 -1.726 -1.726 92 H LYS 14 HN LYS 14 -7.867 -2.118 -2.118 93 HA LYS 14 HA LYS 14 -7.983 0.558 0.558 94 1HB LYS 14 1HB LYS 14 -9.863 -1.089 -1.089 95 2HB LYS 14 2HB LYS 14 -9.567 -1.586 -1.586 96 1HG LYS 14 1HG LYS 14 -10.110 0.682 0.682 97 2HG LYS 14 2HG LYS 14 -10.366 1.189 1.189 98 1HD LYS 14 2HD LYS 14 -12.165 -0.547 -0.547 99 2HD LYS 14 1HD LYS 14 -11.962 -0.945 -0.945 100 1HE LYS 14 2HE LYS 14 -12.715 1.818 1.818 101 2HE LYS 14 1HE LYS 14 -13.875 0.634 0.634 102 1HZ LYS 14 3HZ LYS 14 -11.667 1.747 1.747 103 2HZ LYS 14 1HZ LYS 14 -13.200 2.321 2.321 104 3HZ LYS 14 2HZ LYS 14 -12.888 0.784 0.784 105 H THR 15 H THR 15 -6.734 -1.834 -1.834 106 HA THR 15 HA THR 15 -6.942 -0.415 -0.415 107 HB THR 15 HB THR 15 -4.600 -2.157 -2.157 108 HG1 THR 15 HG1 THR 15 -6.376 -3.357 -3.357 109 1HG2 THR 15 1HG2 THR 15 -5.817 -1.605 -1.605 110 2HG2 THR 15 2HG2 THR 15 -4.533 -2.779 -2.779 111 3HG2 THR 15 3HG2 THR 15 -4.225 -1.048 -1.048 112 H CYS 16 H CYS 16 -4.659 -0.009 -0.009 113 HA CYS 16 HA CYS 16 -3.374 2.286 2.286 114 1HB CYS 16 1HB CYS 16 -2.268 0.402 0.402 115 2HB CYS 16 2HB CYS 16 -1.530 1.947 1.947 116 H HIS 17 HN HIS 17 -4.817 1.125 1.125 117 HA HIS 17 HA HIS 17 -4.250 3.725 3.725 118 1HB HIS 17 2HB HIS 17 -5.127 1.013 1.013 119 2HB HIS 17 1HB HIS 17 -4.737 2.408 2.408 120 HD1 HIS 17 HD1 HIS 17 -2.328 3.325 3.325 121 HD2 HIS 17 HD2 HIS 17 -2.729 -0.522 -0.522 122 HE1 HIS 17 HE1 HIS 17 -0.134 2.151 2.151 123 H SER 18 H SER 18 -5.951 3.922 3.922 124 HA SER 18 HA SER 18 -8.744 3.424 3.424 125 1HB SER 18 1HB SER 18 -7.517 6.219 6.219 126 2HB SER 18 2HB SER 18 -9.247 5.906 5.906 127 HG SER 18 HG SER 18 -7.625 5.314 5.314 128 H ILE 19 H ILE 19 -10.127 4.480 4.480 129 HA ILE 19 HA ILE 19 -8.819 4.572 4.572 130 HB ILE 19 HB ILE 19 -10.752 2.448 2.448 131 1HG1 ILE 19 1HG1 ILE 19 -8.789 2.573 2.573 132 2HG1 ILE 19 2HG1 ILE 19 -8.331 2.124 2.124 133 1HG2 ILE 19 1HG2 ILE 19 -11.005 3.881 3.881 134 2HG2 ILE 19 2HG2 ILE 19 -11.687 2.277 2.277 135 3HG2 ILE 19 3HG2 ILE 19 -12.256 3.665 3.665 136 1HD1 ILE 19 3HD1 ILE 19 -10.033 0.271 0.271 137 2HD1 ILE 19 1HD1 ILE 19 -10.261 0.609 0.609 138 3HD1 ILE 19 2HD1 ILE 19 -8.681 0.097 0.097 139 H ILE 20 H ILE 20 -9.740 6.154 6.154 140 HA ILE 20 HA ILE 20 -11.887 7.789 7.789 141 HB ILE 20 HB ILE 20 -9.331 8.546 8.546 142 1HG1 ILE 20 2HG1 ILE 20 -10.188 10.983 10.983 143 2HG1 ILE 20 1HG1 ILE 20 -11.773 10.199 10.199 144 1HG2 ILE 20 1HG2 ILE 20 -8.947 8.166 8.166 145 2HG2 ILE 20 2HG2 ILE 20 -10.009 9.546 9.546 146 3HG2 ILE 20 3HG2 ILE 20 -8.521 9.772 9.772 147 1HD1 ILE 20 1HD1 ILE 20 -11.227 9.339 9.339 148 2HD1 ILE 20 2HD1 ILE 20 -9.712 10.254 10.254 149 3HD1 ILE 20 3HD1 ILE 20 -11.260 11.117 11.117 150 H ALA 21 H ALA 21 -13.417 8.717 8.717 151 HA ALA 21 HA ALA 21 -13.507 7.420 7.420 152 1HB ALA 21 3HB ALA 21 -15.166 9.687 9.687 153 2HB ALA 21 1HB ALA 21 -15.527 8.831 8.831 154 3HB ALA 21 2HB ALA 21 -15.600 7.963 7.963 155 HA PRO 22 HA PRO 22 -11.346 10.706 10.706 156 1HB PRO 22 1HB PRO 22 -13.815 10.823 10.823 157 2HB PRO 22 2HB PRO 22 -12.097 10.793 10.793 158 1HG PRO 22 2HG PRO 22 -13.556 8.526 8.526 159 2HG PRO 22 1HG PRO 22 -11.919 8.477 8.477 160 1HD PRO 22 2HD PRO 22 -14.574 8.602 8.602 161 2HD PRO 22 1HD PRO 22 -13.180 7.527 7.527 162 H ASP 23 HN ASP 23 -14.830 11.064 11.064 163 HA ASP 23 HA ASP 23 -15.057 13.849 13.849 164 1HB ASP 23 1HB ASP 23 -16.740 11.806 11.806 165 2HB ASP 23 2HB ASP 23 -17.251 13.390 13.390 166 H GLY 24 H GLY 24 -13.174 12.093 12.093 167 1HA GLY 24 1HA GLY 24 -12.162 12.870 12.870 168 2HA GLY 24 2HA GLY 24 -13.341 14.178 14.178 169 H THR 25 H THR 25 -15.534 11.919 11.919 170 HA THR 25 HA THR 25 -16.280 11.662 11.662 171 HB THR 25 HB THR 25 -16.880 9.536 9.536 172 HG1 THR 25 HG1 THR 25 -17.787 12.226 12.226 173 1HG2 THR 25 1HG2 THR 25 -18.628 11.017 11.017 174 2HG2 THR 25 3HG2 THR 25 -19.154 9.742 9.742 175 3HG2 THR 25 2HG2 THR 25 -18.009 9.359 9.359 176 H GLU 26 HN GLU 26 -15.420 10.591 10.591 177 HA GLU 26 HA GLU 26 -13.313 8.678 8.678 178 1HB GLU 26 2HB GLU 26 -15.003 9.322 9.322 179 2HB GLU 26 1HB GLU 26 -13.386 8.597 8.597 180 1HG GLU 26 1HG GLU 26 -12.580 10.755 10.755 181 2HG GLU 26 2HG GLU 26 -14.163 11.460 11.460 182 H ILE 27 H ILE 27 -14.435 7.170 7.170 183 HA ILE 27 HA ILE 27 -16.625 5.580 5.580 184 HB ILE 27 HB ILE 27 -14.186 4.709 4.709 185 1HG1 ILE 27 1HG1 ILE 27 -15.065 6.650 6.650 186 2HG1 ILE 27 2HG1 ILE 27 -15.529 5.250 5.250 187 1HG2 ILE 27 2HG2 ILE 27 -16.985 3.519 3.519 188 2HG2 ILE 27 1HG2 ILE 27 -15.771 3.091 3.091 189 3HG2 ILE 27 3HG2 ILE 27 -15.465 2.750 2.750 190 1HD1 ILE 27 3HD1 ILE 27 -17.827 5.347 5.347 191 2HD1 ILE 27 1HD1 ILE 27 -17.332 6.863 6.863 192 3HD1 ILE 27 2HD1 ILE 27 -17.412 6.764 6.764 193 H VAL 28 H VAL 28 -13.124 4.731 4.731 194 HA VAL 28 HA VAL 28 -14.115 2.848 2.848 195 HB VAL 28 HB VAL 28 -11.416 2.874 2.874 196 1HG1 VAL 28 2HG1 VAL 28 -12.691 1.077 1.077 197 2HG1 VAL 28 1HG1 VAL 28 -11.174 0.721 0.721 198 3HG1 VAL 28 3HG1 VAL 28 -11.278 2.137 2.137 199 1HG2 VAL 28 2HG2 VAL 28 -13.794 0.970 0.970 200 2HG2 VAL 28 3HG2 VAL 28 -13.179 2.023 2.023 201 3HG2 VAL 28 1HG2 VAL 28 -12.183 0.685 0.685 202 H LYS 29 HN LYS 29 -14.457 4.207 4.207 203 HA LYS 29 HA LYS 29 -12.712 6.399 6.399 204 1HB LYS 29 1HB LYS 29 -14.980 5.017 5.017 205 2HB LYS 29 2HB LYS 29 -14.209 6.552 6.552 206 1HG LYS 29 1HG LYS 29 -14.925 7.518 7.518 207 2HG LYS 29 2HG LYS 29 -15.764 6.006 6.006 208 1HD LYS 29 2HD LYS 29 -17.190 6.276 6.276 209 2HD LYS 29 1HD LYS 29 -16.370 7.809 7.809 210 1HE LYS 29 2HE LYS 29 -17.114 8.740 8.740 211 2HE LYS 29 1HE LYS 29 -17.910 7.206 7.206 212 1HZ LYS 29 3HZ LYS 29 -19.332 7.534 7.534 213 2HZ LYS 29 1HZ LYS 29 -18.589 8.961 8.961 214 3HZ LYS 29 2HZ LYS 29 -19.442 8.809 8.809 215 H GLY 30 H GLY 30 -10.802 4.824 4.824 216 1HA GLY 30 1HA GLY 30 -10.359 3.115 3.115 217 2HA GLY 30 2HA GLY 30 -9.395 3.207 3.207 218 H ALA 31 H ALA 31 -7.542 3.465 3.465 219 HA ALA 31 HA ALA 31 -7.283 6.072 6.072 220 1HB ALA 31 1HB ALA 31 -6.656 4.018 4.018 221 2HB ALA 31 2HB ALA 31 -5.467 3.638 3.638 222 3HB ALA 31 3HB ALA 31 -5.270 5.091 5.091 223 H LYS 32 HN LYS 32 -4.925 6.952 6.952 224 HA LYS 32 HA LYS 32 -4.049 6.759 6.759 225 1HB LYS 32 1HB LYS 32 -5.424 8.881 8.881 226 2HB LYS 32 2HB LYS 32 -4.126 9.370 9.370 227 1HG LYS 32 1HG LYS 32 -3.774 10.481 10.481 228 2HG LYS 32 2HG LYS 32 -2.533 9.236 9.236 229 1HD LYS 32 1HD LYS 32 -3.955 7.773 7.773 230 2HD LYS 32 2HD LYS 32 -5.130 9.089 9.089 231 1HE LYS 32 2HE LYS 32 -2.198 9.206 9.206 232 2HE LYS 32 1HE LYS 32 -3.572 8.946 8.946 233 1HZ LYS 32 2HZ LYS 32 -4.378 11.129 11.129 234 2HZ LYS 32 1HZ LYS 32 -2.975 11.350 11.350 235 3HZ LYS 32 3HZ LYS 32 -2.917 11.181 11.181 236 H THR 33 H THR 33 -3.228 5.236 5.236 237 HA THR 33 HA THR 33 -0.784 6.304 6.304 238 HB THR 33 HB THR 33 -1.433 3.378 3.378 239 HG1 THR 33 HG1 THR 33 -2.877 3.606 3.606 240 1HG2 THR 33 1HG2 THR 33 0.624 4.114 4.114 241 2HG2 THR 33 3HG2 THR 33 -0.368 5.077 5.077 242 3HG2 THR 33 2HG2 THR 33 -0.509 3.307 3.307 243 H GLY 34 H GLY 34 -1.918 4.459 4.459 244 1HA GLY 34 1HA GLY 34 0.795 4.617 4.617 245 2HA GLY 34 2HA GLY 34 -0.410 3.357 3.357 246 HA PRO 35 HA PRO 35 -1.281 7.248 7.248 247 1HB PRO 35 1HB PRO 35 -0.777 6.123 6.123 248 2HB PRO 35 2HB PRO 35 0.446 6.938 6.938 249 1HG PRO 35 2HG PRO 35 -0.159 3.974 3.974 250 2HG PRO 35 1HG PRO 35 1.427 4.752 4.752 251 1HD PRO 35 1HD PRO 35 0.878 3.839 3.839 252 2HD PRO 35 2HD PRO 35 1.498 5.487 5.487 253 H ASN 36 H ASN 36 -2.809 6.989 6.989 254 HA ASN 36 HA ASN 36 -5.038 5.133 5.133 255 1HB ASN 36 1HB ASN 36 -5.367 7.518 7.518 256 2HB ASN 36 2HB ASN 36 -4.984 7.904 7.904 257 1HD2 ASN 36 1HD2 ASN 36 -8.158 6.870 6.870 258 2HD2 ASN 36 2HD2 ASN 36 -6.525 7.225 7.225 259 H LEU 37 H LEU 37 -4.632 3.316 3.316 260 HA LEU 37 HA LEU 37 -3.231 3.637 3.637 261 1HB LEU 37 2HB LEU 37 -5.053 1.352 1.352 262 2HB LEU 37 1HB LEU 37 -3.672 1.285 1.285 263 HG LEU 37 HG LEU 37 -2.921 0.383 0.383 264 1HD1 LEU 37 3HD2 LEU 37 -1.332 2.129 2.129 265 2HD1 LEU 37 2HD2 LEU 37 -1.975 3.234 3.234 266 3HD1 LEU 37 1HD2 LEU 37 -1.147 1.749 1.749 267 1HD2 LEU 37 2HD1 LEU 37 -4.810 1.116 1.116 268 2HD2 LEU 37 1HD1 LEU 37 -3.234 0.679 0.679 269 3HD2 LEU 37 3HD1 LEU 37 -3.663 2.393 2.393 270 H TYR 38 H TYR 38 -6.370 4.774 4.774 271 HA TYR 38 HA TYR 38 -7.587 3.484 3.484 272 1HB TYR 38 1HB TYR 38 -8.815 4.911 4.911 273 2HB TYR 38 2HB TYR 38 -7.877 6.320 6.320 274 HD1 TYR 38 HD1 TYR 38 -10.411 3.845 3.845 275 HD2 TYR 38 HD2 TYR 38 -8.288 7.393 7.393 276 HE1 TYR 38 HE1 TYR 38 -11.954 4.128 4.128 277 HE2 TYR 38 HE2 TYR 38 -9.668 7.529 7.529 278 HH TYR 38 HH TYR 38 -11.370 6.386 6.386 279 H GLY 39 H GLY 39 -6.518 3.298 3.298 280 1HA GLY 39 1HA GLY 39 -5.770 4.092 4.092 281 2HA GLY 39 2HA GLY 39 -5.614 5.732 5.732 282 H VAL 40 H VAL 40 -4.201 3.135 3.135 283 HA VAL 40 HA VAL 40 -1.538 4.038 4.038 284 HB VAL 40 HB VAL 40 -2.450 2.636 2.636 285 1HG1 VAL 40 2HG2 VAL 40 -3.629 0.909 0.909 286 2HG1 VAL 40 1HG2 VAL 40 -2.047 0.316 0.316 287 3HG1 VAL 40 3HG2 VAL 40 -2.489 0.192 0.192 288 1HG2 VAL 40 3HG1 VAL 40 -0.007 2.920 2.920 289 2HG2 VAL 40 1HG1 VAL 40 -0.457 1.366 1.366 290 3HG2 VAL 40 2HG1 VAL 40 0.035 1.437 1.437 291 H VAL 41 H VAL 41 -3.457 1.616 1.616 292 HA VAL 41 HA VAL 41 -1.399 0.325 0.325 293 HB VAL 41 HB VAL 41 -4.333 0.658 0.658 294 1HG1 VAL 41 2HG2 VAL 41 -2.226 -1.275 -1.275 295 2HG1 VAL 41 1HG2 VAL 41 -3.975 -1.401 -1.401 296 3HG1 VAL 41 3HG2 VAL 41 -3.079 -0.026 -0.026 297 1HG2 VAL 41 2HG1 VAL 41 -2.689 -1.483 -1.483 298 2HG2 VAL 41 1HG1 VAL 41 -3.905 -0.429 -0.429 299 3HG2 VAL 41 3HG1 VAL 41 -4.405 -1.646 -1.646 300 H GLY 42 H GLY 42 0.023 1.328 1.328 301 1HA GLY 42 1HA GLY 42 0.894 2.107 2.107 302 2HA GLY 42 2HA GLY 42 -0.628 2.941 2.941 303 H ARG 43 HN ARG 43 -0.065 3.630 3.630 304 HA ARG 43 HA ARG 43 1.014 6.293 6.293 305 1HB ARG 43 2HB ARG 43 -1.129 6.074 6.074 306 2HB ARG 43 1HB ARG 43 -0.433 5.321 5.321 307 1HG ARG 43 1HG ARG 43 0.418 8.095 8.095 308 2HG ARG 43 2HG ARG 43 -1.069 7.851 7.851 309 1HD ARG 43 1HD ARG 43 1.694 7.090 7.090 310 2HD ARG 43 2HD ARG 43 0.769 8.471 8.471 311 HE ARG 43 HE ARG 43 -0.936 6.401 6.401 312 1HH1 ARG 43 2HH2 ARG 43 2.503 6.749 6.749 313 2HH1 ARG 43 1HH2 ARG 43 2.322 5.997 5.997 314 1HH2 ARG 43 2HH1 ARG 43 -1.118 5.379 5.379 315 2HH2 ARG 43 1HH1 ARG 43 0.304 5.185 5.185 316 H THR 44 H THR 44 2.911 7.125 7.125 317 HA THR 44 HA THR 44 5.070 5.472 5.472 318 HB THR 44 HB THR 44 4.782 8.400 8.400 319 HG1 THR 44 HG1 THR 44 5.301 7.205 7.205 320 1HG2 THR 44 3HG2 THR 44 7.145 6.702 6.702 321 2HG2 THR 44 1HG2 THR 44 7.182 8.457 8.457 322 3HG2 THR 44 2HG2 THR 44 6.919 7.362 7.362 323 H ALA 45 H ALA 45 5.767 4.445 4.445 324 HA ALA 45 HA ALA 45 4.355 4.582 4.582 325 1HB ALA 45 1HB ALA 45 5.978 2.807 2.807 326 2HB ALA 45 2HB ALA 45 7.305 3.925 3.925 327 3HB ALA 45 3HB ALA 45 6.201 3.341 3.341 328 H GLY 46 H GLY 46 4.898 5.522 5.522 329 1HA GLY 46 1HA GLY 46 5.407 7.261 7.261 330 2HA GLY 46 2HA GLY 46 6.909 7.358 7.358 331 H THR 47 H THR 47 3.579 8.160 8.160 332 HA THR 47 HA THR 47 4.308 11.049 11.049 333 HB THR 47 HB THR 47 3.644 11.388 11.388 334 HG1 THR 47 HG1 THR 47 3.714 8.570 8.570 335 1HG2 THR 47 3HG2 THR 47 6.055 11.054 11.054 336 2HG2 THR 47 2HG2 THR 47 5.884 9.331 9.331 337 3HG2 THR 47 1HG2 THR 47 5.606 10.552 10.552 338 H TYR 48 H TYR 48 1.907 8.920 8.920 339 HA TYR 48 HA TYR 48 -0.330 10.330 10.330 340 1HB TYR 48 2HB TYR 48 -0.174 7.933 7.933 341 2HB TYR 48 1HB TYR 48 -0.575 8.757 8.757 342 HD1 TYR 48 HD1 TYR 48 -1.675 7.927 7.927 343 HD2 TYR 48 HD2 TYR 48 -2.876 9.799 9.799 344 HE1 TYR 48 HE1 TYR 48 -4.005 7.621 7.621 345 HE2 TYR 48 HE2 TYR 48 -5.236 9.633 9.633 346 HH TYR 48 HH TYR 48 -6.144 7.560 7.560 347 HA PRO 49 HA PRO 49 -0.010 13.970 13.970 348 1HB PRO 49 2HB PRO 49 -3.034 13.777 13.777 349 2HB PRO 49 1HB PRO 49 -2.022 15.241 15.241 350 1HG PRO 49 2HG PRO 49 -3.073 14.045 14.045 351 2HG PRO 49 1HG PRO 49 -1.356 14.547 14.547 352 1HD PRO 49 1HD PRO 49 -2.485 11.778 11.778 353 2HD PRO 49 2HD PRO 49 -1.054 12.320 12.320 354 H GLU 50 HN GLU 50 -0.209 14.828 14.828 355 HA GLU 50 HA GLU 50 -0.065 14.788 14.788 356 1HB GLU 50 1HB GLU 50 -2.871 13.660 13.660 357 2HB GLU 50 2HB GLU 50 -2.222 14.444 14.444 358 1HG GLU 50 1HG GLU 50 -1.870 16.542 16.542 359 2HG GLU 50 2HG GLU 50 -2.581 15.765 15.765 360 H PHE 51 H PHE 51 1.588 12.860 12.860 361 HA PHE 51 HA PHE 51 1.077 11.006 11.006 362 1HB PHE 51 2HB PHE 51 0.032 9.894 9.894 363 2HB PHE 51 1HB PHE 51 1.630 9.855 9.855 364 HD1 PHE 51 HD1 PHE 51 -0.326 8.852 8.852 365 HD2 PHE 51 HD2 PHE 51 3.354 8.370 8.370 366 HE1 PHE 51 HE1 PHE 51 0.555 7.453 7.453 367 HE2 PHE 51 HE2 PHE 51 4.143 6.739 6.739 368 HZ PHE 51 HZ PHE 51 2.741 6.295 6.295 369 H LYS 52 HN LYS 52 2.834 11.008 11.008 370 HA LYS 52 HA LYS 52 5.360 11.980 11.980 371 1HB LYS 52 1HB LYS 52 4.622 12.527 12.527 372 2HB LYS 52 2HB LYS 52 4.551 10.820 10.820 373 1HG LYS 52 2HG LYS 52 6.533 12.014 12.014 374 2HG LYS 52 1HG LYS 52 6.959 10.609 10.609 375 1HD LYS 52 1HD LYS 52 7.540 12.044 12.044 376 2HD LYS 52 2HD LYS 52 6.985 13.487 13.487 377 1HE LYS 52 1HE LYS 52 8.759 13.096 13.096 378 2HE LYS 52 2HE LYS 52 9.263 11.627 11.627 379 1HZ LYS 52 3HZ LYS 52 9.810 12.981 12.981 380 2HZ LYS 52 2HZ LYS 52 9.342 14.351 14.351 381 3HZ LYS 52 1HZ LYS 52 10.635 13.486 13.486 382 H TYR 53 H TYR 53 5.619 10.409 10.409 383 HA TYR 53 HA TYR 53 6.240 7.641 7.641 384 1HB TYR 53 1HB TYR 53 7.170 9.470 9.470 385 2HB TYR 53 2HB TYR 53 7.324 7.708 7.708 386 HD1 TYR 53 HD1 TYR 53 5.305 6.231 6.231 387 HD2 TYR 53 HD2 TYR 53 5.153 10.435 10.435 388 HE1 TYR 53 HE1 TYR 53 3.256 5.861 5.861 389 HE2 TYR 53 HE2 TYR 53 3.061 10.069 10.069 390 HH TYR 53 HH TYR 53 1.743 6.788 6.788 391 H LYS 54 HN LYS 54 8.565 6.858 6.858 392 HA LYS 54 HA LYS 54 10.575 8.292 8.292 393 1HB LYS 54 2HB LYS 54 10.957 5.456 5.456 394 2HB LYS 54 1HB LYS 54 11.513 6.305 6.305 395 1HG LYS 54 2HG LYS 54 8.642 5.413 5.413 396 2HG LYS 54 1HG LYS 54 9.803 4.598 4.598 397 1HD LYS 54 1HD LYS 54 9.910 6.446 6.446 398 2HD LYS 54 2HD LYS 54 8.955 7.498 7.498 399 1HE LYS 54 2HE LYS 54 7.893 4.908 4.908 400 2HE LYS 54 1HE LYS 54 7.669 6.517 6.517 401 1HZ LYS 54 2HZ LYS 54 6.715 5.720 5.720 402 2HZ LYS 54 3HZ LYS 54 5.799 5.876 5.876 403 3HZ LYS 54 1HZ LYS 54 6.519 7.200 7.200 404 H ASP 55 HN ASP 55 12.797 7.745 7.745 405 HA ASP 55 HA ASP 55 13.282 8.998 8.998 406 1HB ASP 55 2HB ASP 55 14.895 9.149 9.149 407 2HB ASP 55 1HB ASP 55 15.070 7.386 7.386 408 H SER 56 H SER 56 13.294 5.526 5.526 409 HA SER 56 HA SER 56 14.658 4.536 4.536 410 1HB SER 56 2HB SER 56 13.555 2.405 2.405 411 2HB SER 56 1HB SER 56 14.636 3.357 3.357 412 HG SER 56 HG SER 56 12.488 2.811 2.811 413 H ILE 57 H ILE 57 11.332 4.078 4.078 414 HA ILE 57 HA ILE 57 10.287 3.159 3.159 415 HB ILE 57 HB ILE 57 9.393 3.408 3.408 416 1HG1 ILE 57 1HG1 ILE 57 8.373 1.945 1.945 417 2HG1 ILE 57 2HG1 ILE 57 7.201 2.684 2.684 418 1HG2 ILE 57 1HG2 ILE 57 9.084 5.776 5.776 419 2HG2 ILE 57 2HG2 ILE 57 7.912 5.745 5.745 420 3HG2 ILE 57 3HG2 ILE 57 7.532 4.962 4.962 421 1HD1 ILE 57 3HD1 ILE 57 6.560 4.305 4.305 422 2HD1 ILE 57 2HD1 ILE 57 7.752 3.546 3.546 423 3HD1 ILE 57 1HD1 ILE 57 6.358 2.623 2.623 424 H VAL 58 H VAL 58 10.508 6.695 6.695 425 HA VAL 58 HA VAL 58 9.207 7.540 7.540 426 HB VAL 58 HB VAL 58 11.181 8.943 8.943 427 1HG1 VAL 58 2HG1 VAL 58 9.233 9.930 9.930 428 2HG1 VAL 58 1HG1 VAL 58 10.054 10.985 10.985 429 3HG1 VAL 58 3HG1 VAL 58 11.010 10.093 10.093 430 1HG2 VAL 58 2HG2 VAL 58 8.954 8.138 8.138 431 2HG2 VAL 58 1HG2 VAL 58 9.204 9.890 9.890 432 3HG2 VAL 58 3HG2 VAL 58 8.124 9.164 9.164 433 H ALA 59 H ALA 59 12.713 7.047 7.047 434 HA ALA 59 HA ALA 59 13.721 7.928 7.928 435 1HB ALA 59 1HB ALA 59 15.158 7.475 7.475 436 2HB ALA 59 2HB ALA 59 14.807 5.736 5.736 437 3HB ALA 59 3HB ALA 59 15.697 6.551 6.551 438 H LEU 60 H LEU 60 12.488 4.698 4.698 439 HA LEU 60 HA LEU 60 13.073 3.353 3.353 440 1HB LEU 60 2HB LEU 60 12.284 2.384 2.384 441 2HB LEU 60 1HB LEU 60 10.662 2.933 2.933 442 HG LEU 60 HG LEU 60 10.747 1.508 1.508 443 1HD1 LEU 60 2HD2 LEU 60 13.260 0.368 0.368 444 2HD1 LEU 60 3HD2 LEU 60 12.374 -0.353 -0.353 445 3HD1 LEU 60 1HD2 LEU 60 13.182 1.201 1.201 446 1HD2 LEU 60 2HD1 LEU 60 9.628 0.811 0.811 447 2HD2 LEU 60 1HD1 LEU 60 10.300 -0.570 -0.570 448 3HD2 LEU 60 3HD1 LEU 60 11.144 0.069 0.069 449 H GLY 61 H GLY 61 10.165 5.173 5.173 450 1HA GLY 61 1HA GLY 61 8.568 5.102 5.102 451 2HA GLY 61 2HA GLY 61 8.707 6.454 6.454 452 H ALA 62 H ALA 62 10.983 7.588 7.588 453 HA ALA 62 HA ALA 62 10.905 9.120 9.120 454 1HB ALA 62 3HB ALA 62 11.988 9.797 9.797 455 2HB ALA 62 1HB ALA 62 13.296 8.630 8.630 456 3HB ALA 62 2HB ALA 62 13.064 10.004 10.004 457 H SER 63 H SER 63 12.659 6.083 6.083 458 HA SER 63 HA SER 63 14.232 6.201 6.201 459 1HB SER 63 1HB SER 63 13.409 3.732 3.732 460 2HB SER 63 2HB SER 63 14.776 3.910 3.910 461 HG SER 63 HG SER 63 14.418 5.356 5.356 462 H GLY 64 H GLY 64 10.922 6.151 6.151 463 1HA GLY 64 1HA GLY 64 9.549 6.045 6.045 464 2HA GLY 64 2HA GLY 64 10.689 4.984 4.984 465 H PHE 65 H PHE 65 9.749 4.431 4.431 466 HA PHE 65 HA PHE 65 8.750 1.790 1.790 467 1HB PHE 65 1HB PHE 65 10.259 1.982 1.982 468 2HB PHE 65 2HB PHE 65 9.088 3.009 3.009 469 HD1 PHE 65 HD1 PHE 65 8.892 -0.318 -0.318 470 HD2 PHE 65 HD2 PHE 65 8.201 1.880 1.880 471 HE1 PHE 65 HE1 PHE 65 7.801 -2.286 -2.286 472 HE2 PHE 65 HE2 PHE 65 7.125 -0.097 -0.097 473 HZ PHE 65 HZ PHE 65 6.855 -2.173 -2.173 474 H ALA 66 H ALA 66 6.994 2.580 2.580 475 HA ALA 66 HA ALA 66 4.605 3.712 3.712 476 1HB ALA 66 2HB ALA 66 5.026 2.273 2.273 477 2HB ALA 66 1HB ALA 66 3.535 3.087 3.087 478 3HB ALA 66 3HB ALA 66 5.014 4.033 4.033 479 H TRP 67 H TRP 67 3.356 2.500 2.500 480 HA TRP 67 HA TRP 67 3.925 -0.249 -0.249 481 1HB TRP 67 2HB TRP 67 1.633 1.610 1.610 482 2HB TRP 67 1HB TRP 67 1.561 -0.099 -0.099 483 HD1 TRP 67 HD1 TRP 67 2.465 3.022 3.022 484 HE1 TRP 67 HE1 TRP 67 3.824 2.625 2.625 485 HE3 TRP 67 HE3 TRP 67 3.662 -1.919 -1.919 486 HZ2 TRP 67 HZ2 TRP 67 5.319 0.536 0.536 487 HZ3 TRP 67 HZ3 TRP 67 4.993 -3.096 -3.096 488 HH2 TRP 67 HH2 TRP 67 5.926 -1.844 -1.844 489 H THR 68 H THR 68 2.929 -2.074 -2.074 490 HA THR 68 HA THR 68 0.884 -1.960 -1.960 491 HB THR 68 HB THR 68 1.899 -3.880 -3.880 492 HG1 THR 68 HG1 THR 68 4.237 -3.839 -3.839 493 1HG2 THR 68 1HG2 THR 68 2.771 -1.667 -1.667 494 2HG2 THR 68 2HG2 THR 68 4.110 -1.841 -1.841 495 3HG2 THR 68 3HG2 THR 68 3.956 -2.978 -2.978 496 H GLU 69 HN GLU 69 -0.472 -3.948 -3.948 497 HA GLU 69 HA GLU 69 -1.353 -4.778 -4.778 498 1HB GLU 69 1HB GLU 69 -1.402 -6.344 -6.344 499 2HB GLU 69 2HB GLU 69 -2.407 -6.652 -6.652 500 1HG GLU 69 1HG GLU 69 -3.307 -4.292 -4.292 501 2HG GLU 69 2HG GLU 69 -2.457 -4.151 -4.151 502 H GLU 70 HN GLU 70 1.150 -6.177 -6.177 503 HA GLU 70 HA GLU 70 1.614 -8.573 -8.573 504 1HB GLU 70 2HB GLU 70 3.477 -7.030 -7.030 505 2HB GLU 70 1HB GLU 70 3.672 -8.703 -8.703 506 1HG GLU 70 1HG GLU 70 1.476 -9.273 -9.273 507 2HG GLU 70 2HG GLU 70 1.379 -7.628 -7.628 508 H ASP 71 HN ASP 71 3.352 -5.391 -5.391 509 HA ASP 71 HA ASP 71 5.263 -6.110 -6.110 510 1HB ASP 71 1HB ASP 71 4.216 -3.430 -3.430 511 2HB ASP 71 2HB ASP 71 5.492 -3.614 -3.614 512 H ILE 72 H ILE 72 2.068 -4.474 -4.474 513 HA ILE 72 HA ILE 72 2.213 -3.963 -3.963 514 HB ILE 72 HB ILE 72 -0.154 -4.549 -4.549 515 1HG1 ILE 72 2HG1 ILE 72 0.639 -1.845 -1.845 516 2HG1 ILE 72 1HG1 ILE 72 1.363 -2.439 -2.439 517 1HG2 ILE 72 1HG2 ILE 72 -0.126 -3.480 -3.480 518 2HG2 ILE 72 2HG2 ILE 72 -1.545 -3.468 -3.468 519 3HG2 ILE 72 3HG2 ILE 72 -0.855 -5.001 -5.001 520 1HD1 ILE 72 3HD1 ILE 72 -0.931 -2.785 -2.785 521 2HD1 ILE 72 1HD1 ILE 72 -1.599 -1.967 -1.967 522 3HD1 ILE 72 2HD1 ILE 72 -0.497 -1.107 -1.107 523 H ALA 73 H ALA 73 0.715 -6.685 -6.685 524 HA ALA 73 HA ALA 73 -0.052 -8.273 -8.273 525 1HB ALA 73 2HB ALA 73 -0.730 -8.693 -8.693 526 2HB ALA 73 1HB ALA 73 0.931 -9.163 -9.163 527 3HB ALA 73 3HB ALA 73 -0.005 -10.146 -10.146 528 H THR 74 H THR 74 3.150 -8.072 -8.072 529 HA THR 74 HA THR 74 4.328 -10.211 -10.211 530 HB THR 74 HB THR 74 5.704 -7.897 -7.897 531 HG1 THR 74 HG1 THR 74 4.381 -9.082 -9.082 532 1HG2 THR 74 2HG2 THR 74 6.676 -10.687 -10.687 533 2HG2 THR 74 1HG2 THR 74 7.597 -9.474 -9.474 534 3HG2 THR 74 3HG2 THR 74 7.181 -9.180 -9.180 535 H TYR 75 H TYR 75 4.825 -6.657 -6.657 536 HA TYR 75 HA TYR 75 6.336 -6.413 -6.413 537 1HB TYR 75 2HB TYR 75 5.864 -4.527 -4.527 538 2HB TYR 75 1HB TYR 75 4.126 -4.664 -4.664 539 HD1 TYR 75 HD1 TYR 75 7.197 -4.309 -4.309 540 HD2 TYR 75 HD2 TYR 75 3.127 -3.110 -3.110 541 HE1 TYR 75 HE1 TYR 75 7.396 -2.585 -2.585 542 HE2 TYR 75 HE2 TYR 75 3.344 -1.392 -1.392 543 HH TYR 75 HH TYR 75 6.350 -0.668 -0.668 544 H VAL 76 H VAL 76 2.706 -6.581 -6.581 545 HA VAL 76 HA VAL 76 2.612 -6.260 -6.260 546 HB VAL 76 HB VAL 76 0.496 -7.466 -7.466 547 1HG1 VAL 76 1HG1 VAL 76 0.583 -5.040 -5.040 548 2HG1 VAL 76 3HG1 VAL 76 0.808 -5.333 -5.333 549 3HG1 VAL 76 2HG1 VAL 76 -0.713 -5.786 -5.786 550 1HG2 VAL 76 3HG2 VAL 76 0.837 -9.126 -9.126 551 2HG2 VAL 76 1HG2 VAL 76 -0.570 -8.104 -8.104 552 3HG2 VAL 76 2HG2 VAL 76 0.929 -7.842 -7.842 553 H LYS 77 HN LYS 77 3.399 -9.195 -9.195 554 HA LYS 77 HA LYS 77 3.228 -10.943 -10.943 555 1HB LYS 77 1HB LYS 77 4.741 -11.394 -11.394 556 2HB LYS 77 2HB LYS 77 4.300 -12.594 -12.594 557 1HG LYS 77 2HG LYS 77 1.861 -11.896 -11.896 558 2HG LYS 77 1HG LYS 77 2.430 -11.065 -11.065 559 1HD LYS 77 1HD LYS 77 2.940 -14.024 -14.024 560 2HD LYS 77 2HD LYS 77 1.538 -13.450 -13.450 561 1HE LYS 77 1HE LYS 77 4.410 -12.847 -12.847 562 2HE LYS 77 2HE LYS 77 3.481 -14.236 -14.236 563 1HZ LYS 77 1HZ LYS 77 2.651 -11.440 -11.440 564 2HZ LYS 77 3HZ LYS 77 3.352 -12.372 -12.372 565 3HZ LYS 77 2HZ LYS 77 1.865 -12.765 -12.765 566 H ASP 78 HN ASP 78 5.695 -8.783 -8.783 567 HA ASP 78 HA ASP 78 7.568 -9.597 -9.597 568 1HB ASP 78 2HB ASP 78 9.408 -9.632 -9.632 569 2HB ASP 78 1HB ASP 78 8.250 -10.900 -10.900 570 HA PRO 79 HA PRO 79 7.544 -5.032 -5.032 571 1HB PRO 79 1HB PRO 79 6.703 -5.027 -5.027 572 2HB PRO 79 2HB PRO 79 6.351 -3.816 -3.816 573 1HG PRO 79 1HG PRO 79 4.491 -5.579 -5.579 574 2HG PRO 79 2HG PRO 79 4.900 -5.368 -5.368 575 1HD PRO 79 2HD PRO 79 5.990 -7.518 -7.518 576 2HD PRO 79 1HD PRO 79 5.155 -7.738 -7.738 577 H GLY 80 H GLY 80 9.050 -3.705 -3.705 578 1HA GLY 80 1HA GLY 80 11.168 -3.064 -3.064 579 2HA GLY 80 2HA GLY 80 11.094 -4.442 -4.442 580 H ALA 81 H ALA 81 11.150 -6.642 -6.642 581 HA ALA 81 HA ALA 81 13.681 -7.047 -7.047 582 1HB ALA 81 3HB ALA 81 11.149 -8.695 -8.695 583 2HB ALA 81 2HB ALA 81 12.774 -9.257 -9.257 584 3HB ALA 81 1HB ALA 81 12.407 -8.846 -8.846 585 H PHE 82 H PHE 82 10.505 -6.652 -6.652 586 HA PHE 82 HA PHE 82 11.238 -6.891 -6.891 587 1HB PHE 82 1HB PHE 82 8.954 -6.526 -6.526 588 2HB PHE 82 2HB PHE 82 9.351 -4.861 -4.861 589 HD1 PHE 82 HD2 PHE 82 8.572 -7.306 -7.306 590 HD2 PHE 82 HD1 PHE 82 9.551 -3.182 -3.182 591 HE1 PHE 82 HE2 PHE 82 7.847 -6.677 -6.677 592 HE2 PHE 82 HE1 PHE 82 8.903 -2.582 -2.582 593 HZ PHE 82 HZ PHE 82 8.026 -4.326 -4.326 594 H LEU 83 H LEU 83 11.268 -3.837 -3.837 595 HA LEU 83 HA LEU 83 12.421 -2.186 -2.186 596 1HB LEU 83 1HB LEU 83 12.559 -1.975 -1.975 597 2HB LEU 83 2HB LEU 83 13.131 -0.804 -0.804 598 HG LEU 83 HG LEU 83 10.671 -0.879 -0.879 599 1HD1 LEU 83 3HD2 LEU 83 10.346 -1.760 -1.760 600 2HD1 LEU 83 2HD2 LEU 83 9.065 -1.010 -1.010 601 3HD1 LEU 83 1HD2 LEU 83 9.734 -2.581 -2.581 602 1HD2 LEU 83 1HD1 LEU 83 11.638 0.497 0.497 603 2HD2 LEU 83 3HD1 LEU 83 11.819 1.119 1.119 604 3HD2 LEU 83 2HD1 LEU 83 10.214 1.030 1.030 605 H LYS 84 HN LYS 84 13.900 -3.867 -3.867 606 HA LYS 84 HA LYS 84 16.534 -3.054 -3.054 607 1HB LYS 84 2HB LYS 84 15.505 -5.695 -5.695 608 2HB LYS 84 1HB LYS 84 17.163 -5.098 -5.098 609 1HG LYS 84 1HG LYS 84 16.429 -3.177 -3.177 610 2HG LYS 84 2HG LYS 84 14.731 -3.502 -3.502 611 1HD LYS 84 2HD LYS 84 15.020 -5.747 -5.747 612 2HD LYS 84 1HD LYS 84 16.600 -5.144 -5.144 613 1HE LYS 84 2HE LYS 84 13.823 -4.064 -4.064 614 2HE LYS 84 1HE LYS 84 15.024 -4.728 -4.728 615 1HZ LYS 84 2HZ LYS 84 16.414 -2.800 -2.800 616 2HZ LYS 84 3HZ LYS 84 15.176 -2.214 -2.214 617 3HZ LYS 84 1HZ LYS 84 14.986 -2.374 -2.374 618 H GLU 85 HN GLU 85 14.862 -5.811 -5.811 619 HA GLU 85 HA GLU 85 17.104 -6.686 -6.686 620 1HB GLU 85 1HB GLU 85 15.128 -8.083 -8.083 621 2HB GLU 85 2HB GLU 85 14.102 -7.023 -7.023 622 1HG GLU 85 1HG GLU 85 15.560 -7.589 -7.589 623 2HG GLU 85 2HG GLU 85 16.392 -8.770 -8.770 624 H LYS 86 HN LYS 86 14.117 -4.913 -4.913 625 HA LYS 86 HA LYS 86 15.005 -4.501 -4.501 626 1HB LYS 86 2HB LYS 86 13.096 -2.888 -2.888 627 2HB LYS 86 1HB LYS 86 13.176 -2.796 -2.796 628 1HG LYS 86 2HG LYS 86 12.630 -5.436 -5.436 629 2HG LYS 86 1HG LYS 86 11.383 -4.286 -4.286 630 1HD LYS 86 2HD LYS 86 12.169 -4.463 -4.463 631 2HD LYS 86 1HD LYS 86 13.227 -5.782 -5.782 632 1HE LYS 86 2HE LYS 86 10.183 -5.683 -5.683 633 2HE LYS 86 1HE LYS 86 11.201 -6.748 -6.748 634 1HZ LYS 86 3HZ LYS 86 11.981 -7.740 -7.740 635 2HZ LYS 86 2HZ LYS 86 10.934 -6.786 -6.786 636 3HZ LYS 86 1HZ LYS 86 10.353 -7.905 -7.905 637 H LEU 87 H LEU 87 15.441 -2.361 -2.361 638 HA LEU 87 HA LEU 87 16.819 -0.334 -0.334 639 1HB LEU 87 2HB LEU 87 15.061 0.009 0.009 640 2HB LEU 87 1HB LEU 87 16.408 -0.373 -0.373 641 HG LEU 87 HG LEU 87 17.662 1.579 1.579 642 1HD1 LEU 87 2HD2 LEU 87 14.893 2.204 2.204 643 2HD1 LEU 87 3HD2 LEU 87 16.285 3.300 3.300 644 3HD1 LEU 87 1HD2 LEU 87 16.331 1.820 1.820 645 1HD2 LEU 87 1HD1 LEU 87 15.027 2.156 2.156 646 2HD2 LEU 87 2HD1 LEU 87 16.576 1.758 1.758 647 3HD2 LEU 87 3HD1 LEU 87 16.404 3.272 3.272 648 H ASP 88 HN ASP 88 17.808 -3.277 -3.277 649 HA ASP 88 HA ASP 88 19.595 -4.185 -4.185 650 1HB ASP 88 2HB ASP 88 20.168 -3.907 -3.907 651 2HB ASP 88 1HB ASP 88 20.726 -2.262 -2.262 652 H ASP 89 HN ASP 89 18.703 -2.655 -2.655 653 HA ASP 89 HA ASP 89 21.098 -1.411 -1.411 654 1HB ASP 89 1HB ASP 89 20.036 0.383 0.383 655 2HB ASP 89 2HB ASP 89 18.458 -0.018 -0.018 656 H LYS 90 HN LYS 90 21.327 -2.124 -2.124 657 HA LYS 90 HA LYS 90 19.629 -3.758 -3.758 658 1HB LYS 90 1HB LYS 90 22.210 -2.813 -2.813 659 2HB LYS 90 2HB LYS 90 21.540 -1.850 -1.850 660 1HG LYS 90 2HG LYS 90 21.455 -4.901 -4.901 661 2HG LYS 90 1HG LYS 90 22.534 -3.928 -3.928 662 1HD LYS 90 2HD LYS 90 20.490 -2.944 -2.944 663 2HD LYS 90 1HD LYS 90 19.491 -4.117 -4.117 664 1HE LYS 90 2HE LYS 90 21.754 -4.792 -4.792 665 2HE LYS 90 1HE LYS 90 20.021 -4.883 -4.883 666 1HZ LYS 90 2HZ LYS 90 19.821 -6.531 -6.531 667 2HZ LYS 90 1HZ LYS 90 21.441 -6.468 -6.468 668 3HZ LYS 90 3HZ LYS 90 20.894 -7.007 -7.007 669 H LYS 91 HN LYS 91 20.240 -0.314 -0.314 670 HA LYS 91 HA LYS 91 18.461 0.285 0.285 671 1HB LYS 91 1HB LYS 91 20.458 1.541 1.541 672 2HB LYS 91 2HB LYS 91 20.155 1.944 1.944 673 1HG LYS 91 2HG LYS 91 18.271 2.997 2.997 674 2HG LYS 91 1HG LYS 91 19.865 3.724 3.724 675 1HD LYS 91 1HD LYS 91 19.552 4.294 4.294 676 2HD LYS 91 2HD LYS 91 18.063 3.373 3.373 677 1HE LYS 91 1HE LYS 91 18.408 5.826 5.826 678 2HE LYS 91 2HE LYS 91 17.677 5.815 5.815 679 1HZ LYS 91 1HZ LYS 91 16.038 4.274 4.274 680 2HZ LYS 91 3HZ LYS 91 16.672 4.351 4.351 681 3HZ LYS 91 2HZ LYS 91 16.004 5.698 5.698 682 H ALA 92 H ALA 92 17.491 -0.646 -0.646 683 HA ALA 92 HA ALA 92 15.473 1.399 1.399 684 1HB ALA 92 2HB ALA 92 16.561 0.032 0.032 685 2HB ALA 92 3HB ALA 92 15.496 -1.301 -1.301 686 3HB ALA 92 1HB ALA 92 14.819 0.242 0.242 687 H LYS 93 HN LYS 93 14.666 1.322 1.322 688 HA LYS 93 HA LYS 93 12.966 -0.948 -0.948 689 1HB LYS 93 1HB LYS 93 14.377 0.319 0.319 690 2HB LYS 93 2HB LYS 93 13.491 1.796 1.796 691 1HG LYS 93 2HG LYS 93 12.828 0.869 0.869 692 2HG LYS 93 1HG LYS 93 11.459 0.901 0.901 693 1HD LYS 93 2HD LYS 93 11.710 -1.563 -1.563 694 2HD LYS 93 1HD LYS 93 13.207 -1.556 -1.556 695 1HE LYS 93 1HE LYS 93 11.259 -2.420 -2.420 696 2HE LYS 93 2HE LYS 93 12.005 -1.010 -1.010 697 1HZ LYS 93 3HZ LYS 93 9.602 -0.885 -0.885 698 2HZ LYS 93 2HZ LYS 93 9.594 -0.936 -0.936 699 3HZ LYS 93 1HZ LYS 93 10.270 0.341 0.341 700 H THR 94 H THR 94 10.567 -0.398 -0.398 701 HA THR 94 HA THR 94 9.399 1.781 1.781 702 HB THR 94 HB THR 94 9.410 -0.132 -0.132 703 HG1 THR 94 HG1 THR 94 7.631 1.393 1.393 704 1HG2 THR 94 2HG2 THR 94 9.237 -2.002 -2.002 705 2HG2 THR 94 3HG2 THR 94 7.566 -1.517 -1.517 706 3HG2 THR 94 1HG2 THR 94 7.996 -2.096 -2.096 707 H GLY 95 H GLY 95 7.376 2.359 2.359 708 1HA GLY 95 1HA GLY 95 7.174 2.058 2.058 709 2HA GLY 95 2HA GLY 95 5.935 2.725 2.725 710 H MET 96 H MET 96 5.683 0.210 0.210 711 HA MET 96 HA MET 96 3.575 -0.864 -0.864 712 1HB MET 96 1HB MET 96 3.942 -0.893 -0.893 713 2HB MET 96 2HB MET 96 4.991 -2.271 -2.271 714 1HG MET 96 1HG MET 96 3.259 -3.665 -3.665 715 2HG MET 96 2HG MET 96 2.305 -2.365 -2.365 716 1HE MET 96 1HE MET 96 3.706 -3.176 -3.176 717 2HE MET 96 2HE MET 96 2.725 -4.631 -4.631 718 3HE MET 96 3HE MET 96 2.197 -3.469 -3.469 719 H ALA 97 H ALA 97 4.496 -1.364 -1.364 720 HA ALA 97 HA ALA 97 5.940 -3.867 -3.867 721 1HB ALA 97 3HB ALA 97 6.077 -2.023 -2.023 722 2HB ALA 97 1HB ALA 97 4.343 -2.187 -2.187 723 3HB ALA 97 2HB ALA 97 5.463 -3.505 -3.505 724 H PHE 98 H PHE 98 4.160 -4.697 -4.697 725 HA PHE 98 HA PHE 98 2.446 -6.584 -6.584 726 1HB PHE 98 1HB PHE 98 0.783 -4.901 -4.901 727 2HB PHE 98 2HB PHE 98 1.392 -4.156 -4.156 728 HD1 PHE 98 HD1 PHE 98 -0.685 -6.955 -6.955 729 HD2 PHE 98 HD2 PHE 98 0.813 -4.938 -4.938 730 HE1 PHE 98 HE1 PHE 98 -2.287 -8.203 -8.203 731 HE2 PHE 98 HE2 PHE 98 -0.761 -6.200 -6.200 732 HZ PHE 98 HZ PHE 98 -2.364 -7.809 -7.809 733 H LYS 99 HN LYS 99 1.816 -8.239 -8.239 734 HA LYS 99 HA LYS 99 2.763 -7.929 -7.929 735 1HB LYS 99 2HB LYS 99 3.622 -10.506 -10.506 736 2HB LYS 99 1HB LYS 99 4.171 -9.738 -9.738 737 1HG LYS 99 2HG LYS 99 5.207 -7.925 -7.925 738 2HG LYS 99 1HG LYS 99 4.903 -9.044 -9.044 739 1HD LYS 99 1HD LYS 99 6.251 -10.782 -10.782 740 2HD LYS 99 2HD LYS 99 6.519 -9.740 -9.740 741 1HE LYS 99 1HE LYS 99 7.455 -9.143 -9.143 742 2HE LYS 99 2HE LYS 99 8.469 -9.782 -9.782 743 1HZ LYS 99 3HZ LYS 99 7.121 -7.173 -7.173 744 2HZ LYS 99 1HZ LYS 99 8.716 -7.431 -7.431 745 3HZ LYS 99 2HZ LYS 99 8.106 -7.768 -7.768 746 H LEU 100 H LEU 100 1.684 -9.548 -9.548 747 HA LEU 100 HA LEU 100 -0.782 -10.680 -10.680 748 1HB LEU 100 1HB LEU 100 -1.164 -8.756 -8.756 749 2HB LEU 100 2HB LEU 100 -0.216 -9.510 -9.510 750 HG LEU 100 HG LEU 100 -1.801 -11.234 -11.234 751 1HD1 LEU 100 3HD2 LEU 100 -3.277 -10.226 -10.226 752 2HD1 LEU 100 1HD2 LEU 100 -3.944 -11.378 -11.378 753 3HD1 LEU 100 2HD2 LEU 100 -2.542 -11.834 -11.834 754 1HD2 LEU 100 2HD1 LEU 100 -2.331 -8.983 -8.983 755 2HD2 LEU 100 3HD1 LEU 100 -3.788 -9.958 -9.958 756 3HD2 LEU 100 1HD1 LEU 100 -3.352 -8.669 -8.669 757 H ALA 101 H ALA 101 -0.357 -12.822 -12.822 758 HA ALA 101 HA ALA 101 1.571 -14.210 -14.210 759 1HB ALA 101 1HB ALA 101 1.419 -14.635 -14.635 760 2HB ALA 101 3HB ALA 101 -0.269 -15.169 -15.169 761 3HB ALA 101 2HB ALA 101 1.050 -16.102 -16.102 762 H LYS 102 HN LYS 102 0.109 -13.334 -13.334 763 HA LYS 102 HA LYS 102 -0.700 -14.036 -14.036 764 1HB LYS 102 2HB LYS 102 -1.983 -16.477 -16.477 765 2HB LYS 102 1HB LYS 102 -1.932 -16.062 -16.062 766 1HG LYS 102 2HG LYS 102 0.547 -16.170 -16.170 767 2HG LYS 102 1HG LYS 102 0.508 -16.669 -16.669 768 1HD LYS 102 2HD LYS 102 -0.898 -18.631 -18.631 769 2HD LYS 102 1HD LYS 102 -0.777 -18.188 -18.188 770 1HE LYS 102 2HE LYS 102 1.565 -18.902 -18.902 771 2HE LYS 102 1HE LYS 102 0.830 -19.974 -19.974 772 1HZ LYS 102 1HZ LYS 102 1.480 -18.421 -18.421 773 2HZ LYS 102 2HZ LYS 102 2.198 -17.444 -17.444 774 3HZ LYS 102 3HZ LYS 102 2.786 -18.958 -18.958 775 H GLY 103 H GLY 103 -2.671 -13.551 -13.551 776 1HA GLY 103 1HA GLY 103 -5.117 -13.086 -13.086 777 2HA GLY 103 2HA GLY 103 -4.656 -12.208 -12.208 778 H GLY 104 H GLY 104 -2.106 -11.314 -11.314 779 1HA GLY 104 1HA GLY 104 -2.557 -8.773 -8.773 780 2HA GLY 104 2HA GLY 104 -1.167 -9.746 -9.746 781 H GLU 105 HN GLU 105 -2.566 -11.626 -11.626 782 HA GLU 105 HA GLU 105 -2.731 -10.175 -10.175 783 1HB GLU 105 1HB GLU 105 -3.714 -12.354 -12.354 784 2HB GLU 105 2HB GLU 105 -2.062 -12.389 -12.389 785 1HG GLU 105 2HG GLU 105 -4.359 -13.219 -13.219 786 2HG GLU 105 1HG GLU 105 -3.723 -14.303 -14.303 787 H ASP 106 HN ASP 106 -5.219 -11.537 -11.537 788 HA ASP 106 HA ASP 106 -7.502 -10.806 -10.806 789 1HB ASP 106 1HB ASP 106 -7.294 -11.201 -11.201 790 2HB ASP 106 2HB ASP 106 -8.751 -11.262 -11.262 791 H VAL 107 H VAL 107 -5.826 -9.281 -9.281 792 HA VAL 107 HA VAL 107 -7.486 -6.967 -6.967 793 HB VAL 107 HB VAL 107 -4.617 -7.326 -7.326 794 1HG1 VAL 107 2HG2 VAL 107 -6.731 -5.192 -5.192 795 2HG1 VAL 107 3HG2 VAL 107 -5.340 -5.462 -5.462 796 3HG1 VAL 107 1HG2 VAL 107 -5.082 -4.955 -4.955 797 1HG2 VAL 107 3HG1 VAL 107 -6.289 -8.914 -8.914 798 2HG2 VAL 107 1HG1 VAL 107 -5.640 -7.733 -7.733 799 3HG2 VAL 107 2HG1 VAL 107 -7.262 -7.506 -7.506 800 H ALA 108 H ALA 108 -4.449 -7.582 -7.582 801 HA ALA 108 HA ALA 108 -4.188 -4.986 -4.986 802 1HB ALA 108 2HB ALA 108 -3.373 -7.685 -7.685 803 2HB ALA 108 3HB ALA 108 -2.845 -6.098 -6.098 804 3HB ALA 108 1HB ALA 108 -2.393 -6.635 -6.635 805 H ALA 109 H ALA 109 -5.917 -7.900 -7.900 806 HA ALA 109 HA ALA 109 -6.944 -6.692 -6.692 807 1HB ALA 109 2HB ALA 109 -7.026 -9.094 -9.094 808 2HB ALA 109 1HB ALA 109 -8.194 -8.867 -8.867 809 3HB ALA 109 3HB ALA 109 -8.648 -8.463 -8.463 810 H TYR 110 H TYR 110 -8.297 -6.811 -6.811 811 HA TYR 110 HA TYR 110 -10.692 -5.391 -5.391 812 1HB TYR 110 1HB TYR 110 -10.490 -6.450 -6.450 813 2HB TYR 110 2HB TYR 110 -8.940 -5.724 -5.724 814 HD1 TYR 110 HD2 TYR 110 -12.506 -4.692 -4.692 815 HD2 TYR 110 HD1 TYR 110 -8.829 -3.940 -3.940 816 HE1 TYR 110 HE2 TYR 110 -13.628 -2.924 -2.924 817 HE2 TYR 110 HE1 TYR 110 -9.951 -2.177 -2.177 818 HH TYR 110 HH TYR 110 -11.923 -1.104 -1.104 819 H LEU 111 H LEU 111 -7.493 -4.065 -4.065 820 HA LEU 111 HA LEU 111 -8.222 -1.345 -1.345 821 1HB LEU 111 1HB LEU 111 -5.567 -2.736 -2.736 822 2HB LEU 111 2HB LEU 111 -5.719 -0.979 -0.979 823 HG LEU 111 HG LEU 111 -6.732 -2.728 -2.728 824 1HD1 LEU 111 1HD2 LEU 111 -3.953 -1.539 -1.539 825 2HD1 LEU 111 2HD2 LEU 111 -4.587 -2.285 -2.285 826 3HD1 LEU 111 3HD2 LEU 111 -4.361 -3.267 -3.267 827 1HD2 LEU 111 1HD1 LEU 111 -5.847 0.190 0.190 828 2HD2 LEU 111 3HD1 LEU 111 -7.523 -0.373 -0.373 829 3HD2 LEU 111 2HD1 LEU 111 -6.385 -0.648 -0.648 830 H ALA 112 H ALA 112 -6.820 -3.386 -3.386 831 HA ALA 112 HA ALA 112 -6.776 -1.441 -1.441 832 1HB ALA 112 3HB ALA 112 -5.672 -3.619 -3.619 833 2HB ALA 112 2HB ALA 112 -7.245 -4.435 -4.435 834 3HB ALA 112 1HB ALA 112 -6.703 -3.329 -3.329 835 H SER 113 H SER 113 -9.465 -3.531 -3.531 836 HA SER 113 HA SER 113 -11.282 -2.740 -2.740 837 1HB SER 113 2HB SER 113 -11.942 -3.825 -3.825 838 2HB SER 113 1HB SER 113 -12.983 -3.815 -3.815 839 HG SER 113 HG SER 113 -10.491 -5.184 -5.184 840 H VAL 114 H VAL 114 -10.588 -1.555 -1.555 841 HA VAL 114 HA VAL 114 -12.792 0.185 0.185 842 HB VAL 114 HB VAL 114 -10.121 -0.302 -0.302 843 1HG1 VAL 114 1HG2 VAL 114 -11.995 1.924 1.924 844 2HG1 VAL 114 2HG2 VAL 114 -10.676 1.277 1.277 845 3HG1 VAL 114 3HG2 VAL 114 -10.283 2.050 2.050 846 1HG2 VAL 114 3HG1 VAL 114 -12.099 -1.803 -1.803 847 2HG2 VAL 114 1HG1 VAL 114 -11.476 -0.965 -0.965 848 3HG2 VAL 114 2HG1 VAL 114 -12.964 -0.397 -0.397 849 H VAL 115 H VAL 115 -9.448 0.819 0.819 850 HA VAL 115 HA VAL 115 -9.662 3.611 3.611 851 HB VAL 115 HB VAL 115 -7.560 2.611 2.611 852 1HG1 VAL 115 3HG2 VAL 115 -7.920 0.613 0.613 853 2HG1 VAL 115 2HG2 VAL 115 -8.129 1.553 1.553 854 3HG1 VAL 115 1HG2 VAL 115 -6.573 1.544 1.544 855 1HG2 VAL 115 3HG1 VAL 115 -7.807 4.876 4.876 856 2HG2 VAL 115 2HG1 VAL 115 -6.483 3.975 3.975 857 3HG2 VAL 115 1HG1 VAL 115 -8.016 4.170 4.170 858 H LYS 116 HN LYS 116 -11.495 4.366 4.366 859 HA LYS 116 HA LYS 116 -11.986 4.507 4.507 860 1HB LYS 116 1HB LYS 116 -14.327 4.894 4.894 861 2HB LYS 116 2HB LYS 116 -13.806 3.345 3.345 862 1HG LYS 116 2HG LYS 116 -13.667 4.327 4.327 863 2HG LYS 116 1HG LYS 116 -14.054 5.931 5.931 864 1HD LYS 116 1HD LYS 116 -16.260 5.090 5.090 865 2HD LYS 116 2HD LYS 116 -15.878 3.489 3.489 866 1HE LYS 116 2HE LYS 116 -15.651 4.502 4.502 867 2HE LYS 116 1HE LYS 116 -16.022 6.101 6.101 868 1HZ LYS 116 3HZ LYS 116 -18.163 5.270 5.270 869 2HZ LYS 116 2HZ LYS 116 -17.824 3.783 3.783 870 3HZ LYS 116 1HZ LYS 116 -17.934 5.093 5.093 871 HHA HEC 117 HHA HEM 117 3.124 2.313 2.313 872 HHB HEC 117 HHB HEM 117 -0.990 -1.673 -1.673 873 HHC HEC 117 HHC HEM 117 -2.468 -4.029 -4.029 874 HHD HEC 117 HHD HEM 117 1.266 0.426 0.426 875 1HMA HEC 117 1HMA HEM 117 -0.009 -0.103 -0.103 876 2HMA HEC 117 2HMA HEM 117 1.071 -1.504 -1.504 877 3HMA HEC 117 3HMA HEM 117 1.740 0.059 0.059 878 1HAA HEC 117 1HAA HEM 117 3.370 2.499 2.499 879 2HAA HEC 117 2HAA HEM 117 3.433 1.395 1.395 880 1HBA HEC 117 1HBA HEM 117 1.020 3.152 3.152 881 2HBA HEC 117 2HBA HEM 117 1.492 2.361 2.361 882 1HMB HEC 117 1HMB HEM 117 -4.062 -3.710 -3.710 883 2HMB HEC 117 2HMB HEM 117 -2.475 -4.105 -4.105 884 3HMB HEC 117 3HMB HEM 117 -3.095 -2.436 -2.436 885 HAB HEC 117 HAB HEM 117 -3.767 -4.936 -4.936 886 1HBB HEC 117 1HBB HEM 117 -4.398 -6.679 -6.679 887 2HBB HEC 117 2HBB HEM 117 -2.629 -6.484 -6.484 888 3HBB HEC 117 3HBB HEM 117 -3.516 -5.864 -5.864 889 1HMC HEC 117 1HMC HEM 117 -1.939 -3.781 -3.781 890 2HMC HEC 117 2HMC HEM 117 -3.303 -3.095 -3.095 891 3HMC HEC 117 3HMC HEM 117 -2.386 -4.476 -4.476 892 HAC HEC 117 HAC HEM 117 -1.453 -1.756 -1.756 893 1HBC HEC 117 1HBC HEM 117 0.490 -1.220 -1.220 894 2HBC HEC 117 2HBC HEM 117 1.462 -0.885 -0.885 895 3HBC HEC 117 3HBC HEM 117 0.886 -2.532 -2.532 896 1HMD HEC 117 1HMD HEM 117 1.865 2.899 2.899 897 2HMD HEC 117 2HMD HEM 117 3.483 3.393 3.393 898 3HMD HEC 117 3HMD HEM 117 3.232 1.805 1.805 899 1HAD HEC 117 1HAD HEM 117 4.233 3.923 3.923 900 2HAD HEC 117 2HAD HEM 117 3.567 4.026 4.026 901 1HBD HEC 117 1HBD HEM 117 5.169 2.388 2.388 902 2HBD HEC 117 2HBD HEM 117 5.562 1.894 1.894 Start of MODEL 13 1 1H GLY 1 1H GLY 1 -5.715 -13.301 -13.301 2 2H GLY 1 2H GLY 1 -7.212 -14.053 -14.053 3 1HA GLY 1 1HA GLY 1 -6.735 -11.139 -11.139 4 2HA GLY 1 2HA GLY 1 -7.463 -12.067 -12.067 5 H ASP 2 HN ASP 2 -8.279 -13.199 -13.199 6 HA ASP 2 HA ASP 2 -11.069 -12.776 -12.776 7 1HB ASP 2 2HB ASP 2 -9.470 -13.575 -13.575 8 2HB ASP 2 1HB ASP 2 -11.219 -13.751 -13.751 9 H ALA 3 H ALA 3 -10.842 -10.375 -10.375 10 HA ALA 3 HA ALA 3 -10.383 -8.412 -8.412 11 1HB ALA 3 2HB ALA 3 -11.238 -8.043 -8.043 12 2HB ALA 3 3HB ALA 3 -12.852 -8.599 -8.599 13 3HB ALA 3 1HB ALA 3 -12.170 -7.107 -7.107 14 H ALA 4 H ALA 4 -13.223 -10.552 -10.552 15 HA ALA 4 HA ALA 4 -14.672 -9.293 -9.293 16 1HB ALA 4 1HB ALA 4 -14.406 -12.253 -12.253 17 2HB ALA 4 3HB ALA 4 -15.650 -11.519 -11.519 18 3HB ALA 4 2HB ALA 4 -15.581 -11.113 -11.113 19 H LYS 5 HN LYS 5 -12.065 -11.776 -11.776 20 HA LYS 5 HA LYS 5 -12.059 -11.960 -11.960 21 1HB LYS 5 2HB LYS 5 -9.975 -12.785 -12.785 22 2HB LYS 5 1HB LYS 5 -9.925 -13.150 -13.150 23 1HG LYS 5 1HG LYS 5 -12.058 -14.399 -14.399 24 2HG LYS 5 2HG LYS 5 -12.108 -14.068 -14.068 25 1HD LYS 5 1HD LYS 5 -9.849 -15.204 -15.204 26 2HD LYS 5 2HD LYS 5 -9.970 -15.670 -15.670 27 1HE LYS 5 1HE LYS 5 -11.925 -16.440 -16.440 28 2HE LYS 5 2HE LYS 5 -10.670 -17.484 -17.484 29 1HZ LYS 5 3HZ LYS 5 -11.771 -17.330 -17.330 30 2HZ LYS 5 1HZ LYS 5 -12.955 -16.379 -16.379 31 3HZ LYS 5 2HZ LYS 5 -12.782 -17.936 -17.936 32 H GLY 6 H GLY 6 -10.430 -10.087 -10.087 33 1HA GLY 6 1HA GLY 6 -8.504 -8.725 -8.725 34 2HA GLY 6 2HA GLY 6 -9.374 -8.055 -8.055 35 H GLU 7 HN GLU 7 -11.909 -7.600 -7.600 36 HA GLU 7 HA GLU 7 -11.636 -5.382 -5.382 37 1HB GLU 7 2HB GLU 7 -14.041 -5.071 -5.071 38 2HB GLU 7 1HB GLU 7 -13.220 -5.180 -5.180 39 1HG GLU 7 2HG GLU 7 -15.269 -6.266 -6.266 40 2HG GLU 7 1HG GLU 7 -14.028 -7.508 -7.508 41 H LYS 8 HN LYS 8 -12.822 -8.740 -8.740 42 HA LYS 8 HA LYS 8 -13.644 -8.216 -8.216 43 1HB LYS 8 2HB LYS 8 -12.444 -10.732 -10.732 44 2HB LYS 8 1HB LYS 8 -13.210 -10.659 -10.659 45 1HG LYS 8 2HG LYS 8 -14.639 -9.950 -9.950 46 2HG LYS 8 1HG LYS 8 -14.651 -11.536 -11.536 47 1HD LYS 8 2HD LYS 8 -15.660 -10.490 -10.490 48 2HD LYS 8 1HD LYS 8 -15.736 -8.943 -8.943 49 1HE LYS 8 1HE LYS 8 -17.150 -9.995 -9.995 50 2HE LYS 8 2HE LYS 8 -17.118 -11.525 -11.525 51 1HZ LYS 8 3HZ LYS 8 -18.205 -8.978 -8.978 52 2HZ LYS 8 2HZ LYS 8 -19.083 -10.268 -10.268 53 3HZ LYS 8 1HZ LYS 8 -18.179 -10.394 -10.394 54 H GLU 9 HN GLU 9 -10.476 -9.274 -9.274 55 HA GLU 9 HA GLU 9 -9.057 -9.298 -9.298 56 1HB GLU 9 1HB GLU 9 -8.176 -10.349 -10.349 57 2HB GLU 9 2HB GLU 9 -8.174 -8.820 -8.820 58 1HG GLU 9 1HG GLU 9 -5.919 -9.511 -9.511 59 2HG GLU 9 2HG GLU 9 -6.381 -7.925 -7.925 60 H PHE 10 H PHE 10 -9.815 -6.638 -6.638 61 HA PHE 10 HA PHE 10 -8.157 -4.729 -4.729 62 1HB PHE 10 1HB PHE 10 -9.834 -4.621 -4.621 63 2HB PHE 10 2HB PHE 10 -10.921 -3.883 -3.883 64 HD1 PHE 10 HD1 PHE 10 -7.672 -3.630 -3.630 65 HD2 PHE 10 HD2 PHE 10 -10.314 -1.679 -1.679 66 HE1 PHE 10 HE1 PHE 10 -6.129 -1.710 -1.710 67 HE2 PHE 10 HE2 PHE 10 -8.706 0.200 0.200 68 HZ PHE 10 HZ PHE 10 -6.564 0.131 0.131 69 H ASN 11 H ASN 11 -10.909 -6.147 -6.147 70 HA ASN 11 HA ASN 11 -11.495 -4.041 -4.041 71 1HB ASN 11 2HB ASN 11 -11.674 -7.064 -7.064 72 2HB ASN 11 1HB ASN 11 -12.082 -5.937 -5.937 73 1HD2 ASN 11 1HD2 ASN 11 -14.585 -6.127 -6.127 74 2HD2 ASN 11 2HD2 ASN 11 -12.975 -6.843 -6.843 75 H LYS 12 HN LYS 12 -8.782 -6.450 -6.450 76 HA LYS 12 HA LYS 12 -7.754 -5.608 -5.608 77 1HB LYS 12 2HB LYS 12 -6.427 -6.962 -6.962 78 2HB LYS 12 1HB LYS 12 -5.678 -6.698 -6.698 79 1HG LYS 12 1HG LYS 12 -6.443 -8.941 -8.941 80 2HG LYS 12 2HG LYS 12 -7.434 -8.071 -8.071 81 1HD LYS 12 2HD LYS 12 -9.339 -8.039 -8.039 82 2HD LYS 12 1HD LYS 12 -8.307 -8.576 -8.576 83 1HE LYS 12 2HE LYS 12 -7.961 -10.700 -10.700 84 2HE LYS 12 1HE LYS 12 -8.949 -10.169 -10.169 85 1HZ LYS 12 2HZ LYS 12 -10.805 -9.969 -9.969 86 2HZ LYS 12 1HZ LYS 12 -9.885 -10.462 -10.462 87 3HZ LYS 12 3HZ LYS 12 -10.207 -11.504 -11.504 88 H CYS 13 H CYS 13 -6.906 -4.818 -4.818 89 HA CYS 13 HA CYS 13 -4.817 -3.030 -3.030 90 1HB CYS 13 1HB CYS 13 -6.943 -2.721 -2.721 91 2HB CYS 13 2HB CYS 13 -5.281 -2.116 -2.116 92 H LYS 14 HN LYS 14 -8.295 -2.351 -2.351 93 HA LYS 14 HA LYS 14 -8.472 0.376 0.376 94 1HB LYS 14 1HB LYS 14 -10.334 -1.209 -1.209 95 2HB LYS 14 2HB LYS 14 -10.035 -1.724 -1.724 96 1HG LYS 14 2HG LYS 14 -10.609 0.534 0.534 97 2HG LYS 14 1HG LYS 14 -10.896 1.054 1.054 98 1HD LYS 14 1HD LYS 14 -12.718 -0.631 -0.631 99 2HD LYS 14 2HD LYS 14 -12.354 -1.223 -1.223 100 1HE LYS 14 1HE LYS 14 -14.299 0.235 0.235 101 2HE LYS 14 2HE LYS 14 -12.951 0.990 0.990 102 1HZ LYS 14 3HZ LYS 14 -13.827 1.636 1.636 103 2HZ LYS 14 1HZ LYS 14 -14.088 2.547 2.547 104 3HZ LYS 14 2HZ LYS 14 -12.563 2.343 2.343 105 H THR 15 H THR 15 -7.291 -1.809 -1.809 106 HA THR 15 HA THR 15 -7.595 -0.113 -0.113 107 HB THR 15 HB THR 15 -5.399 -2.175 -2.175 108 HG1 THR 15 HG1 THR 15 -7.246 -3.222 -3.222 109 1HG2 THR 15 2HG2 THR 15 -6.865 -1.236 -1.236 110 2HG2 THR 15 3HG2 THR 15 -5.712 -2.583 -2.583 111 3HG2 THR 15 1HG2 THR 15 -5.156 -0.933 -0.933 112 H CYS 16 H CYS 16 -5.348 0.024 0.024 113 HA CYS 16 HA CYS 16 -3.799 2.192 2.192 114 1HB CYS 16 2HB CYS 16 -2.977 -0.104 -0.104 115 2HB CYS 16 1HB CYS 16 -2.016 1.378 1.378 116 H HIS 17 HN HIS 17 -5.385 1.076 1.076 117 HA HIS 17 HA HIS 17 -4.597 3.601 3.601 118 1HB HIS 17 1HB HIS 17 -5.381 0.799 0.799 119 2HB HIS 17 2HB HIS 17 -5.215 2.169 2.169 120 HD1 HIS 17 HD1 HIS 17 -2.835 3.372 3.372 121 HD2 HIS 17 HD2 HIS 17 -2.912 -0.448 -0.448 122 HE1 HIS 17 HE1 HIS 17 -0.535 2.354 2.354 123 H SER 18 H SER 18 -6.124 4.326 4.326 124 HA SER 18 HA SER 18 -8.989 3.786 3.786 125 1HB SER 18 1HB SER 18 -7.640 6.527 6.527 126 2HB SER 18 2HB SER 18 -9.384 6.297 6.297 127 HG SER 18 HG SER 18 -7.829 5.431 5.431 128 H ILE 19 H ILE 19 -10.330 4.750 4.750 129 HA ILE 19 HA ILE 19 -8.957 5.189 5.189 130 HB ILE 19 HB ILE 19 -11.003 2.988 2.988 131 1HG1 ILE 19 1HG1 ILE 19 -9.118 1.970 1.970 132 2HG1 ILE 19 2HG1 ILE 19 -8.108 3.104 3.104 133 1HG2 ILE 19 3HG2 ILE 19 -11.666 4.311 4.311 134 2HG2 ILE 19 2HG2 ILE 19 -10.069 3.936 3.936 135 3HG2 ILE 19 1HG2 ILE 19 -11.228 2.639 2.639 136 1HD1 ILE 19 3HD1 ILE 19 -9.850 0.912 0.912 137 2HD1 ILE 19 1HD1 ILE 19 -8.113 0.826 0.826 138 3HD1 ILE 19 2HD1 ILE 19 -8.711 1.952 1.952 139 H ILE 20 H ILE 20 -9.848 6.972 6.972 140 HA ILE 20 HA ILE 20 -12.616 7.757 7.757 141 HB ILE 20 HB ILE 20 -10.735 8.872 8.872 142 1HG1 ILE 20 2HG1 ILE 20 -11.972 11.249 11.249 143 2HG1 ILE 20 1HG1 ILE 20 -13.167 9.956 9.956 144 1HG2 ILE 20 1HG2 ILE 20 -9.199 9.233 9.233 145 2HG2 ILE 20 3HG2 ILE 20 -10.279 10.534 10.534 146 3HG2 ILE 20 2HG2 ILE 20 -9.445 10.633 10.633 147 1HD1 ILE 20 3HD1 ILE 20 -12.651 9.441 9.441 148 2HD1 ILE 20 2HD1 ILE 20 -11.527 10.815 10.815 149 3HD1 ILE 20 1HD1 ILE 20 -13.262 11.090 11.090 150 H ALA 21 H ALA 21 -13.805 8.472 8.472 151 HA ALA 21 HA ALA 21 -12.732 8.150 8.150 152 1HB ALA 21 1HB ALA 21 -15.148 7.925 7.925 153 2HB ALA 21 3HB ALA 21 -15.197 9.686 9.686 154 3HB ALA 21 2HB ALA 21 -14.920 9.000 9.000 155 HA PRO 22 HA PRO 22 -10.656 12.002 12.002 156 1HB PRO 22 1HB PRO 22 -11.468 12.857 12.857 157 2HB PRO 22 2HB PRO 22 -10.284 11.556 11.556 158 1HG PRO 22 1HG PRO 22 -13.253 11.252 11.252 159 2HG PRO 22 2HG PRO 22 -11.902 10.363 10.363 160 1HD PRO 22 2HD PRO 22 -13.243 9.238 9.238 161 2HD PRO 22 1HD PRO 22 -11.462 9.157 9.157 162 H ASP 23 HN ASP 23 -14.149 12.025 12.025 163 HA ASP 23 HA ASP 23 -14.517 14.860 14.860 164 1HB ASP 23 2HB ASP 23 -16.933 14.190 14.190 165 2HB ASP 23 1HB ASP 23 -16.073 13.552 13.552 166 H GLY 24 H GLY 24 -13.706 12.499 12.499 167 1HA GLY 24 1HA GLY 24 -13.402 13.105 13.105 168 2HA GLY 24 2HA GLY 24 -14.789 14.188 14.188 169 H THR 25 H THR 25 -16.199 11.670 11.670 170 HA THR 25 HA THR 25 -17.564 10.800 10.800 171 HB THR 25 HB THR 25 -17.405 9.411 9.411 172 HG1 THR 25 HG1 THR 25 -18.191 11.469 11.469 173 1HG2 THR 25 2HG2 THR 25 -19.440 9.212 9.212 174 2HG2 THR 25 1HG2 THR 25 -19.619 8.507 8.507 175 3HG2 THR 25 3HG2 THR 25 -18.349 7.913 7.913 176 H GLU 26 HN GLU 26 -16.562 9.808 9.808 177 HA GLU 26 HA GLU 26 -14.278 8.177 8.177 178 1HB GLU 26 1HB GLU 26 -14.869 7.529 7.529 179 2HB GLU 26 2HB GLU 26 -15.044 9.271 9.271 180 1HG GLU 26 1HG GLU 26 -17.544 8.921 8.921 181 2HG GLU 26 2HG GLU 26 -17.307 7.216 7.216 182 H ILE 27 H ILE 27 -13.900 6.029 6.029 183 HA ILE 27 HA ILE 27 -16.268 4.263 4.263 184 HB ILE 27 HB ILE 27 -13.394 3.821 3.821 185 1HG1 ILE 27 2HG1 ILE 27 -14.059 5.828 5.828 186 2HG1 ILE 27 1HG1 ILE 27 -13.973 4.462 4.462 187 1HG2 ILE 27 1HG2 ILE 27 -15.977 2.490 2.490 188 2HG2 ILE 27 3HG2 ILE 27 -14.375 2.186 2.186 189 3HG2 ILE 27 2HG2 ILE 27 -14.689 1.788 1.788 190 1HD1 ILE 27 1HD1 ILE 27 -16.455 4.246 4.246 191 2HD1 ILE 27 3HD1 ILE 27 -16.540 5.637 5.637 192 3HD1 ILE 27 2HD1 ILE 27 -15.929 5.842 5.842 193 H VAL 28 H VAL 28 -13.006 4.473 4.473 194 HA VAL 28 HA VAL 28 -13.911 2.723 2.723 195 HB VAL 28 HB VAL 28 -11.211 2.478 2.478 196 1HG1 VAL 28 2HG1 VAL 28 -12.411 1.098 1.098 197 2HG1 VAL 28 3HG1 VAL 28 -10.919 0.598 0.598 198 3HG1 VAL 28 1HG1 VAL 28 -10.993 2.175 2.175 199 1HG2 VAL 28 1HG2 VAL 28 -13.595 0.595 0.595 200 2HG2 VAL 28 2HG2 VAL 28 -12.973 1.364 1.364 201 3HG2 VAL 28 3HG2 VAL 28 -11.992 0.154 0.154 202 H LYS 29 HN LYS 29 -14.171 4.384 4.384 203 HA LYS 29 HA LYS 29 -12.039 6.432 6.432 204 1HB LYS 29 1HB LYS 29 -14.367 7.167 7.167 205 2HB LYS 29 2HB LYS 29 -14.695 6.028 6.028 206 1HG LYS 29 2HG LYS 29 -13.132 7.266 7.266 207 2HG LYS 29 1HG LYS 29 -12.575 8.218 8.218 208 1HD LYS 29 1HD LYS 29 -13.931 9.699 9.699 209 2HD LYS 29 2HD LYS 29 -14.967 9.137 9.137 210 1HE LYS 29 1HE LYS 29 -15.032 8.212 8.212 211 2HE LYS 29 2HE LYS 29 -16.156 9.342 9.342 212 1HZ LYS 29 2HZ LYS 29 -16.758 7.527 7.527 213 2HZ LYS 29 3HZ LYS 29 -15.861 6.496 6.496 214 3HZ LYS 29 1HZ LYS 29 -17.159 7.261 7.261 215 H GLY 30 H GLY 30 -10.488 4.706 4.706 216 1HA GLY 30 1HA GLY 30 -10.799 3.146 3.146 217 2HA GLY 30 2HA GLY 30 -9.597 2.923 2.923 218 H ALA 31 H ALA 31 -7.952 3.098 3.098 219 HA ALA 31 HA ALA 31 -7.579 5.713 5.713 220 1HB ALA 31 1HB ALA 31 -6.897 3.582 3.582 221 2HB ALA 31 2HB ALA 31 -5.723 3.343 3.343 222 3HB ALA 31 3HB ALA 31 -5.543 4.712 4.712 223 H LYS 32 HN LYS 32 -5.210 6.596 6.596 224 HA LYS 32 HA LYS 32 -4.450 6.643 6.643 225 1HB LYS 32 2HB LYS 32 -4.610 9.082 9.082 226 2HB LYS 32 1HB LYS 32 -4.019 9.015 9.015 227 1HG LYS 32 2HG LYS 32 -6.102 9.736 9.736 228 2HG LYS 32 1HG LYS 32 -6.433 8.000 8.000 229 1HD LYS 32 2HD LYS 32 -7.279 8.178 8.178 230 2HD LYS 32 1HD LYS 32 -6.870 9.898 9.898 231 1HE LYS 32 1HE LYS 32 -9.234 9.679 9.679 232 2HE LYS 32 2HE LYS 32 -8.483 10.221 10.221 233 1HZ LYS 32 1HZ LYS 32 -8.572 7.903 7.903 234 2HZ LYS 32 2HZ LYS 32 -9.297 7.469 7.469 235 3HZ LYS 32 3HZ LYS 32 -10.066 8.488 8.488 236 H THR 33 H THR 33 -3.452 4.967 4.967 237 HA THR 33 HA THR 33 -1.002 6.026 6.026 238 HB THR 33 HB THR 33 -1.614 3.117 3.117 239 HG1 THR 33 HG1 THR 33 -2.836 3.118 3.118 240 1HG2 THR 33 2HG2 THR 33 0.576 3.684 3.684 241 2HG2 THR 33 3HG2 THR 33 -0.270 4.501 4.501 242 3HG2 THR 33 1HG2 THR 33 -0.447 2.747 2.747 243 H GLY 34 H GLY 34 -2.133 4.438 4.438 244 1HA GLY 34 1HA GLY 34 0.503 4.733 4.733 245 2HA GLY 34 2HA GLY 34 -0.660 3.439 3.439 246 HA PRO 35 HA PRO 35 -1.590 7.462 7.462 247 1HB PRO 35 1HB PRO 35 -1.067 6.469 6.469 248 2HB PRO 35 2HB PRO 35 0.134 7.258 7.258 249 1HG PRO 35 2HG PRO 35 -0.384 4.297 4.297 250 2HG PRO 35 1HG PRO 35 1.161 5.190 5.190 251 1HD PRO 35 2HD PRO 35 0.562 4.032 4.032 252 2HD PRO 35 1HD PRO 35 1.168 5.690 5.690 253 H ASN 36 H ASN 36 -3.080 7.596 7.596 254 HA ASN 36 HA ASN 36 -5.449 5.951 5.951 255 1HB ASN 36 2HB ASN 36 -5.706 8.374 8.374 256 2HB ASN 36 1HB ASN 36 -5.098 8.429 8.429 257 1HD2 ASN 36 2HD2 ASN 36 -8.982 7.843 7.843 258 2HD2 ASN 36 1HD2 ASN 36 -7.956 8.440 8.440 259 H LEU 37 H LEU 37 -4.992 3.921 3.921 260 HA LEU 37 HA LEU 37 -4.055 3.587 3.587 261 1HB LEU 37 2HB LEU 37 -5.807 2.135 2.135 262 2HB LEU 37 1HB LEU 37 -5.450 1.347 1.347 263 HG LEU 37 HG LEU 37 -3.261 1.349 1.349 264 1HD1 LEU 37 3HD2 LEU 37 -3.150 3.194 3.194 265 2HD1 LEU 37 1HD2 LEU 37 -1.807 2.165 2.165 266 3HD1 LEU 37 2HD2 LEU 37 -2.445 3.402 3.402 267 1HD2 LEU 37 3HD1 LEU 37 -4.318 -0.375 -0.375 268 2HD2 LEU 37 1HD1 LEU 37 -2.851 0.134 0.134 269 3HD2 LEU 37 2HD1 LEU 37 -4.424 0.717 0.717 270 H TYR 38 H TYR 38 -6.554 5.622 5.622 271 HA TYR 38 HA TYR 38 -8.241 4.132 4.132 272 1HB TYR 38 2HB TYR 38 -9.066 6.035 6.035 273 2HB TYR 38 1HB TYR 38 -8.009 7.139 7.139 274 HD1 TYR 38 HD1 TYR 38 -8.411 7.462 7.462 275 HD2 TYR 38 HD2 TYR 38 -11.222 5.514 5.514 276 HE1 TYR 38 HE1 TYR 38 -10.003 7.287 7.287 277 HE2 TYR 38 HE2 TYR 38 -12.830 5.352 5.352 278 HH TYR 38 HH TYR 38 -12.142 6.672 6.672 279 H GLY 39 H GLY 39 -6.739 3.037 3.037 280 1HA GLY 39 1HA GLY 39 -6.109 2.669 2.669 281 2HA GLY 39 2HA GLY 39 -6.274 4.392 4.392 282 H VAL 40 H VAL 40 -4.259 2.450 2.450 283 HA VAL 40 HA VAL 40 -1.875 3.933 3.933 284 HB VAL 40 HB VAL 40 -2.192 0.943 0.943 285 1HG1 VAL 40 1HG2 VAL 40 0.137 2.855 2.855 286 2HG1 VAL 40 3HG2 VAL 40 0.034 1.226 1.226 287 3HG1 VAL 40 2HG2 VAL 40 0.116 1.413 1.413 288 1HG2 VAL 40 2HG1 VAL 40 -2.100 3.379 3.379 289 2HG2 VAL 40 3HG1 VAL 40 -3.398 2.157 2.157 290 3HG2 VAL 40 1HG1 VAL 40 -1.837 1.712 1.712 291 H VAL 41 H VAL 41 -3.190 1.300 1.300 292 HA VAL 41 HA VAL 41 -0.880 0.564 0.564 293 HB VAL 41 HB VAL 41 -3.799 0.651 0.651 294 1HG1 VAL 41 2HG2 VAL 41 -1.436 -0.691 -0.691 295 2HG1 VAL 41 1HG2 VAL 41 -3.144 -1.025 -1.025 296 3HG1 VAL 41 3HG2 VAL 41 -2.479 0.578 0.578 297 1HG2 VAL 41 3HG1 VAL 41 -3.208 -0.788 -0.788 298 2HG2 VAL 41 1HG1 VAL 41 -3.633 -1.764 -1.764 299 3HG2 VAL 41 2HG1 VAL 41 -1.923 -1.545 -1.545 300 H GLY 42 H GLY 42 0.469 1.649 1.649 301 1HA GLY 42 1HA GLY 42 1.042 2.950 2.950 302 2HA GLY 42 2HA GLY 42 -0.439 3.903 3.903 303 H ARG 43 HN ARG 43 0.193 3.936 3.936 304 HA ARG 43 HA ARG 43 1.445 6.503 6.503 305 1HB ARG 43 2HB ARG 43 -0.250 5.905 5.905 306 2HB ARG 43 1HB ARG 43 0.957 4.844 4.844 307 1HG ARG 43 2HG ARG 43 1.088 6.721 6.721 308 2HG ARG 43 1HG ARG 43 2.442 6.957 6.957 309 1HD ARG 43 2HD ARG 43 -0.283 8.315 8.315 310 2HD ARG 43 1HD ARG 43 1.273 9.076 9.076 311 HE ARG 43 HE ARG 43 0.021 8.548 8.548 312 1HH1 ARG 43 2HH1 ARG 43 3.229 9.046 9.046 313 2HH1 ARG 43 1HH1 ARG 43 3.977 9.372 9.372 314 1HH2 ARG 43 1HH2 ARG 43 1.055 9.110 9.110 315 2HH2 ARG 43 2HH2 ARG 43 2.749 9.525 9.525 316 H THR 44 H THR 44 3.496 7.180 7.180 317 HA THR 44 HA THR 44 5.655 5.487 5.487 318 HB THR 44 HB THR 44 5.775 8.279 8.279 319 HG1 THR 44 HG1 THR 44 5.229 7.561 7.561 320 1HG2 THR 44 1HG2 THR 44 7.559 6.840 6.840 321 2HG2 THR 44 2HG2 THR 44 7.765 8.505 8.505 322 3HG2 THR 44 3HG2 THR 44 7.926 7.143 7.143 323 H ALA 45 H ALA 45 5.024 3.935 3.935 324 HA ALA 45 HA ALA 45 5.618 2.968 2.968 325 1HB ALA 45 1HB ALA 45 7.989 3.634 3.634 326 2HB ALA 45 2HB ALA 45 7.787 5.052 5.052 327 3HB ALA 45 3HB ALA 45 7.684 3.418 3.418 328 H GLY 46 H GLY 46 6.700 4.747 4.747 329 1HA GLY 46 1HA GLY 46 4.095 5.426 5.426 330 2HA GLY 46 2HA GLY 46 5.681 5.560 5.560 331 H THR 47 H THR 47 3.672 7.010 7.010 332 HA THR 47 HA THR 47 4.461 9.738 9.738 333 HB THR 47 HB THR 47 4.468 10.431 10.431 334 HG1 THR 47 HG1 THR 47 4.923 7.698 7.698 335 1HG2 THR 47 2HG2 THR 47 6.578 10.140 10.140 336 2HG2 THR 47 3HG2 THR 47 6.634 8.430 8.430 337 3HG2 THR 47 1HG2 THR 47 6.743 9.691 9.691 338 H TYR 48 H TYR 48 1.931 7.882 7.882 339 HA TYR 48 HA TYR 48 -0.083 9.275 9.275 340 1HB TYR 48 1HB TYR 48 -0.211 6.937 6.937 341 2HB TYR 48 2HB TYR 48 -0.625 7.807 7.807 342 HD1 TYR 48 HD1 TYR 48 -2.648 9.412 9.412 343 HD2 TYR 48 HD2 TYR 48 -1.813 6.569 6.569 344 HE1 TYR 48 HE1 TYR 48 -4.929 9.739 9.739 345 HE2 TYR 48 HE2 TYR 48 -4.083 6.883 6.883 346 HH TYR 48 HH TYR 48 -6.171 7.782 7.782 347 HA PRO 49 HA PRO 49 0.503 12.975 12.975 348 1HB PRO 49 1HB PRO 49 -2.415 13.507 13.507 349 2HB PRO 49 2HB PRO 49 -1.043 14.621 14.621 350 1HG PRO 49 1HG PRO 49 -2.172 13.420 13.420 351 2HG PRO 49 2HG PRO 49 -0.397 13.584 13.584 352 1HD PRO 49 2HD PRO 49 -2.077 11.134 11.134 353 2HD PRO 49 1HD PRO 49 -0.474 11.309 11.309 354 H GLU 50 HN GLU 50 -0.598 14.353 14.353 355 HA GLU 50 HA GLU 50 -0.666 14.473 14.473 356 1HB GLU 50 2HB GLU 50 -3.281 13.142 13.142 357 2HB GLU 50 1HB GLU 50 -2.975 13.783 13.783 358 1HG GLU 50 1HG GLU 50 -4.176 15.449 15.449 359 2HG GLU 50 2HG GLU 50 -2.539 16.037 16.037 360 H PHE 51 H PHE 51 1.206 12.707 12.707 361 HA PHE 51 HA PHE 51 0.793 11.173 11.173 362 1HB PHE 51 1HB PHE 51 -0.221 9.659 9.659 363 2HB PHE 51 2HB PHE 51 1.362 9.582 9.582 364 HD1 PHE 51 HD2 PHE 51 -0.553 8.899 8.899 365 HD2 PHE 51 HD1 PHE 51 3.209 8.332 8.332 366 HE1 PHE 51 HE2 PHE 51 0.248 7.504 7.504 367 HE2 PHE 51 HE1 PHE 51 3.978 6.867 6.867 368 HZ PHE 51 HZ PHE 51 2.472 6.404 6.404 369 H LYS 52 HN LYS 52 2.624 11.394 11.394 370 HA LYS 52 HA LYS 52 5.098 12.193 12.193 371 1HB LYS 52 2HB LYS 52 4.442 13.103 13.103 372 2HB LYS 52 1HB LYS 52 4.352 11.499 11.499 373 1HG LYS 52 2HG LYS 52 6.396 12.730 12.730 374 2HG LYS 52 1HG LYS 52 6.726 11.178 11.178 375 1HD LYS 52 2HD LYS 52 7.277 12.344 12.344 376 2HD LYS 52 1HD LYS 52 6.867 13.900 13.900 377 1HE LYS 52 1HE LYS 52 9.289 13.549 13.549 378 2HE LYS 52 2HE LYS 52 8.735 13.570 13.570 379 1HZ LYS 52 1HZ LYS 52 9.216 11.129 11.129 380 2HZ LYS 52 2HZ LYS 52 10.297 11.789 11.789 381 3HZ LYS 52 3HZ LYS 52 8.855 11.207 11.207 382 H TYR 53 H TYR 53 5.798 10.531 10.531 383 HA TYR 53 HA TYR 53 6.132 7.779 7.779 384 1HB TYR 53 1HB TYR 53 7.245 9.308 9.308 385 2HB TYR 53 2HB TYR 53 7.354 7.562 7.562 386 HD1 TYR 53 HD1 TYR 53 5.358 6.105 6.105 387 HD2 TYR 53 HD2 TYR 53 5.191 10.309 10.309 388 HE1 TYR 53 HE1 TYR 53 3.189 5.768 5.768 389 HE2 TYR 53 HE2 TYR 53 2.981 9.996 9.996 390 HH TYR 53 HH TYR 53 1.235 8.524 8.524 391 H LYS 54 HN LYS 54 8.496 6.909 6.909 392 HA LYS 54 HA LYS 54 10.476 8.338 8.338 393 1HB LYS 54 2HB LYS 54 10.753 5.469 5.469 394 2HB LYS 54 1HB LYS 54 11.498 6.342 6.342 395 1HG LYS 54 1HG LYS 54 9.435 6.372 6.372 396 2HG LYS 54 2HG LYS 54 8.529 5.656 5.656 397 1HD LYS 54 2HD LYS 54 9.017 4.012 4.012 398 2HD LYS 54 1HD LYS 54 9.720 3.562 3.562 399 1HE LYS 54 1HE LYS 54 11.404 4.989 4.989 400 2HE LYS 54 2HE LYS 54 11.090 3.252 3.252 401 1HZ LYS 54 1HZ LYS 54 12.324 4.521 4.521 402 2HZ LYS 54 2HZ LYS 54 13.108 3.673 3.673 403 3HZ LYS 54 3HZ LYS 54 12.017 2.918 2.918 404 H ASP 55 HN ASP 55 12.708 7.680 7.680 405 HA ASP 55 HA ASP 55 13.144 8.769 8.769 406 1HB ASP 55 1HB ASP 55 15.094 7.136 7.136 407 2HB ASP 55 2HB ASP 55 15.491 8.333 8.333 408 H SER 56 H SER 56 12.753 5.373 5.373 409 HA SER 56 HA SER 56 14.383 4.154 4.154 410 1HB SER 56 2HB SER 56 12.999 2.160 2.160 411 2HB SER 56 1HB SER 56 13.992 3.058 3.058 412 HG SER 56 HG SER 56 11.827 2.750 2.750 413 H ILE 57 H ILE 57 10.949 3.998 3.998 414 HA ILE 57 HA ILE 57 10.146 3.054 3.054 415 HB ILE 57 HB ILE 57 8.999 3.177 3.177 416 1HG1 ILE 57 2HG1 ILE 57 7.366 3.649 3.649 417 2HG1 ILE 57 1HG1 ILE 57 8.074 2.110 2.110 418 1HG2 ILE 57 3HG2 ILE 57 9.003 5.627 5.627 419 2HG2 ILE 57 1HG2 ILE 57 7.822 5.757 5.757 420 3HG2 ILE 57 2HG2 ILE 57 7.399 4.934 4.934 421 1HD1 ILE 57 2HD1 ILE 57 6.685 2.121 2.121 422 2HD1 ILE 57 1HD1 ILE 57 5.860 3.587 3.587 423 3HD1 ILE 57 3HD1 ILE 57 5.754 2.079 2.079 424 H VAL 58 H VAL 58 10.515 6.485 6.485 425 HA VAL 58 HA VAL 58 9.455 7.606 7.606 426 HB VAL 58 HB VAL 58 11.353 8.567 8.567 427 1HG1 VAL 58 1HG1 VAL 58 10.122 10.115 10.115 428 2HG1 VAL 58 3HG1 VAL 58 10.873 10.842 10.842 429 3HG1 VAL 58 2HG1 VAL 58 11.864 9.879 9.879 430 1HG2 VAL 58 1HG2 VAL 58 8.898 8.107 8.107 431 2HG2 VAL 58 2HG2 VAL 58 9.383 9.797 9.797 432 3HG2 VAL 58 3HG2 VAL 58 8.454 9.311 9.311 433 H ALA 59 H ALA 59 12.849 6.755 6.755 434 HA ALA 59 HA ALA 59 14.079 7.591 7.591 435 1HB ALA 59 1HB ALA 59 14.888 5.361 5.361 436 2HB ALA 59 2HB ALA 59 15.914 6.063 6.063 437 3HB ALA 59 3HB ALA 59 15.374 7.070 7.070 438 H LEU 60 H LEU 60 12.557 4.467 4.467 439 HA LEU 60 HA LEU 60 13.212 3.044 3.044 440 1HB LEU 60 1HB LEU 60 12.013 2.197 2.197 441 2HB LEU 60 2HB LEU 60 10.536 2.907 2.907 442 HG LEU 60 HG LEU 60 10.775 1.476 1.476 443 1HD1 LEU 60 2HD2 LEU 60 12.927 0.083 0.083 444 2HD1 LEU 60 1HD2 LEU 60 12.193 -0.549 -0.549 445 3HD1 LEU 60 3HD2 LEU 60 13.185 0.905 0.905 446 1HD2 LEU 60 3HD1 LEU 60 10.569 0.045 0.045 447 2HD2 LEU 60 1HD1 LEU 60 9.248 0.881 0.881 448 3HD2 LEU 60 2HD1 LEU 60 9.973 -0.573 -0.573 449 H GLY 61 H GLY 61 10.367 5.153 5.153 450 1HA GLY 61 1HA GLY 61 9.153 5.130 5.130 451 2HA GLY 61 2HA GLY 61 9.143 6.485 6.485 452 H ALA 62 H ALA 62 11.564 7.443 7.443 453 HA ALA 62 HA ALA 62 11.973 8.952 8.952 454 1HB ALA 62 3HB ALA 62 12.776 9.553 9.553 455 2HB ALA 62 2HB ALA 62 14.042 8.310 8.310 456 3HB ALA 62 1HB ALA 62 14.040 9.698 9.698 457 H SER 63 H SER 63 13.378 5.798 5.798 458 HA SER 63 HA SER 63 15.339 5.795 5.795 459 1HB SER 63 1HB SER 63 14.112 3.416 3.416 460 2HB SER 63 2HB SER 63 15.626 3.456 3.456 461 HG SER 63 HG SER 63 15.067 5.004 5.004 462 H GLY 64 H GLY 64 12.037 5.904 5.904 463 1HA GLY 64 1HA GLY 64 10.998 5.822 5.822 464 2HA GLY 64 2HA GLY 64 12.228 4.722 4.722 465 H PHE 65 H PHE 65 10.536 4.319 4.319 466 HA PHE 65 HA PHE 65 9.458 1.704 1.704 467 1HB PHE 65 1HB PHE 65 10.688 1.739 1.739 468 2HB PHE 65 2HB PHE 65 9.584 2.961 2.961 469 HD1 PHE 65 HD1 PHE 65 7.102 2.414 2.414 470 HD2 PHE 65 HD2 PHE 65 10.065 -0.609 -0.609 471 HE1 PHE 65 HE1 PHE 65 5.677 0.730 0.730 472 HE2 PHE 65 HE2 PHE 65 8.562 -2.324 -2.324 473 HZ PHE 65 HZ PHE 65 6.416 -1.645 -1.645 474 H ALA 66 H ALA 66 7.269 1.374 1.374 475 HA ALA 66 HA ALA 66 5.343 3.426 3.426 476 1HB ALA 66 3HB ALA 66 5.408 2.220 2.220 477 2HB ALA 66 2HB ALA 66 4.109 3.230 3.230 478 3HB ALA 66 1HB ALA 66 5.722 3.923 3.923 479 H TRP 67 H TRP 67 3.621 2.373 2.373 480 HA TRP 67 HA TRP 67 3.869 -0.371 -0.371 481 1HB TRP 67 1HB TRP 67 1.847 1.872 1.872 482 2HB TRP 67 2HB TRP 67 1.449 0.253 0.253 483 HD1 TRP 67 HD1 TRP 67 2.417 3.144 3.144 484 HE1 TRP 67 HE1 TRP 67 3.421 2.620 2.620 485 HE3 TRP 67 HE3 TRP 67 3.487 -1.822 -1.822 486 HZ2 TRP 67 HZ2 TRP 67 4.887 0.460 0.460 487 HZ3 TRP 67 HZ3 TRP 67 4.818 -3.036 -3.036 488 HH2 TRP 67 HH2 TRP 67 5.670 -1.839 -1.839 489 H THR 68 H THR 68 2.462 -2.013 -2.013 490 HA THR 68 HA THR 68 0.620 -1.759 -1.759 491 HB THR 68 HB THR 68 1.570 -3.577 -3.577 492 HG1 THR 68 HG1 THR 68 3.923 -3.818 -3.818 493 1HG2 THR 68 1HG2 THR 68 2.566 -1.346 -1.346 494 2HG2 THR 68 2HG2 THR 68 3.911 -1.725 -1.725 495 3HG2 THR 68 3HG2 THR 68 3.656 -2.702 -2.702 496 H GLU 69 HN GLU 69 -0.694 -3.859 -3.859 497 HA GLU 69 HA GLU 69 -1.499 -4.723 -4.723 498 1HB GLU 69 1HB GLU 69 -1.570 -6.255 -6.255 499 2HB GLU 69 2HB GLU 69 -2.522 -6.635 -6.635 500 1HG GLU 69 1HG GLU 69 -3.485 -4.281 -4.281 501 2HG GLU 69 2HG GLU 69 -2.716 -4.107 -4.107 502 H GLU 70 HN GLU 70 1.037 -5.977 -5.977 503 HA GLU 70 HA GLU 70 1.558 -8.435 -8.435 504 1HB GLU 70 2HB GLU 70 3.531 -6.854 -6.854 505 2HB GLU 70 1HB GLU 70 3.490 -8.589 -8.589 506 1HG GLU 70 1HG GLU 70 1.512 -6.967 -6.967 507 2HG GLU 70 2HG GLU 70 2.734 -8.097 -8.097 508 H ASP 71 HN ASP 71 3.256 -5.295 -5.295 509 HA ASP 71 HA ASP 71 5.224 -5.829 -5.829 510 1HB ASP 71 1HB ASP 71 3.925 -3.267 -3.267 511 2HB ASP 71 2HB ASP 71 5.144 -3.268 -3.268 512 H ILE 72 H ILE 72 1.992 -4.234 -4.234 513 HA ILE 72 HA ILE 72 2.247 -3.962 -3.962 514 HB ILE 72 HB ILE 72 -0.244 -4.387 -4.387 515 1HG1 ILE 72 1HG1 ILE 72 1.035 -1.850 -1.850 516 2HG1 ILE 72 2HG1 ILE 72 1.159 -2.360 -2.360 517 1HG2 ILE 72 2HG2 ILE 72 0.051 -3.381 -3.381 518 2HG2 ILE 72 1HG2 ILE 72 -1.457 -3.383 -3.383 519 3HG2 ILE 72 3HG2 ILE 72 -0.713 -4.905 -4.905 520 1HD1 ILE 72 2HD1 ILE 72 -1.377 -2.334 -2.334 521 2HD1 ILE 72 3HD1 ILE 72 -1.364 -1.460 -1.460 522 3HD1 ILE 72 1HD1 ILE 72 -0.566 -0.765 -0.765 523 H ALA 73 H ALA 73 0.700 -6.613 -6.613 524 HA ALA 73 HA ALA 73 -0.069 -8.265 -8.265 525 1HB ALA 73 3HB ALA 73 0.969 -9.046 -9.046 526 2HB ALA 73 2HB ALA 73 0.082 -10.113 -10.113 527 3HB ALA 73 1HB ALA 73 -0.713 -8.676 -8.676 528 H THR 74 H THR 74 3.151 -8.009 -8.009 529 HA THR 74 HA THR 74 4.284 -10.203 -10.203 530 HB THR 74 HB THR 74 5.679 -7.898 -7.898 531 HG1 THR 74 HG1 THR 74 4.297 -8.977 -8.977 532 1HG2 THR 74 3HG2 THR 74 6.601 -10.731 -10.731 533 2HG2 THR 74 2HG2 THR 74 7.508 -9.539 -9.539 534 3HG2 THR 74 1HG2 THR 74 7.194 -9.245 -9.245 535 H TYR 75 H TYR 75 4.748 -6.638 -6.638 536 HA TYR 75 HA TYR 75 6.243 -6.413 -6.413 537 1HB TYR 75 2HB TYR 75 5.889 -4.510 -4.510 538 2HB TYR 75 1HB TYR 75 4.157 -4.638 -4.638 539 HD1 TYR 75 HD1 TYR 75 7.079 -3.821 -3.821 540 HD2 TYR 75 HD2 TYR 75 2.811 -3.565 -3.565 541 HE1 TYR 75 HE1 TYR 75 6.978 -1.984 -1.984 542 HE2 TYR 75 HE2 TYR 75 2.722 -1.782 -1.782 543 HH TYR 75 HH TYR 75 5.587 -0.445 -0.445 544 H VAL 76 H VAL 76 2.623 -6.525 -6.525 545 HA VAL 76 HA VAL 76 2.384 -6.098 -6.098 546 HB VAL 76 HB VAL 76 0.285 -7.383 -7.383 547 1HG1 VAL 76 1HG1 VAL 76 0.330 -4.988 -4.988 548 2HG1 VAL 76 2HG1 VAL 76 0.691 -5.339 -5.339 549 3HG1 VAL 76 3HG1 VAL 76 -0.870 -5.814 -5.814 550 1HG2 VAL 76 1HG2 VAL 76 0.771 -9.120 -9.120 551 2HG2 VAL 76 3HG2 VAL 76 -0.649 -8.173 -8.173 552 3HG2 VAL 76 2HG2 VAL 76 0.895 -7.889 -7.889 553 H LYS 77 HN LYS 77 3.240 -9.180 -9.180 554 HA LYS 77 HA LYS 77 3.108 -10.543 -10.543 555 1HB LYS 77 2HB LYS 77 3.543 -12.594 -12.594 556 2HB LYS 77 1HB LYS 77 2.080 -11.759 -11.759 557 1HG LYS 77 2HG LYS 77 3.125 -10.989 -10.989 558 2HG LYS 77 1HG LYS 77 4.739 -11.482 -11.482 559 1HD LYS 77 1HD LYS 77 4.037 -13.858 -13.858 560 2HD LYS 77 2HD LYS 77 2.401 -13.360 -13.360 561 1HE LYS 77 2HE LYS 77 3.648 -14.071 -14.071 562 2HE LYS 77 1HE LYS 77 3.295 -12.339 -12.339 563 1HZ LYS 77 2HZ LYS 77 5.558 -11.929 -11.929 564 2HZ LYS 77 1HZ LYS 77 5.850 -13.545 -13.545 565 3HZ LYS 77 3HZ LYS 77 5.546 -12.826 -12.826 566 H ASP 78 HN ASP 78 5.427 -8.736 -8.736 567 HA ASP 78 HA ASP 78 7.598 -9.879 -9.879 568 1HB ASP 78 2HB ASP 78 9.105 -9.839 -9.839 569 2HB ASP 78 1HB ASP 78 7.986 -11.203 -11.203 570 HA PRO 79 HA PRO 79 7.473 -5.238 -5.238 571 1HB PRO 79 1HB PRO 79 6.992 -4.474 -4.474 572 2HB PRO 79 2HB PRO 79 5.692 -4.853 -4.853 573 1HG PRO 79 1HG PRO 79 6.914 -6.703 -6.703 574 2HG PRO 79 2HG PRO 79 5.185 -6.369 -6.369 575 1HD PRO 79 1HD PRO 79 6.394 -8.553 -8.553 576 2HD PRO 79 2HD PRO 79 5.196 -7.608 -7.608 577 H GLY 80 H GLY 80 9.284 -4.043 -4.043 578 1HA GLY 80 1HA GLY 80 11.322 -3.402 -3.402 579 2HA GLY 80 2HA GLY 80 11.278 -4.771 -4.771 580 H ALA 81 H ALA 81 11.191 -6.975 -6.975 581 HA ALA 81 HA ALA 81 13.649 -7.408 -7.408 582 1HB ALA 81 2HB ALA 81 11.048 -8.982 -8.982 583 2HB ALA 81 1HB ALA 81 12.652 -9.560 -9.560 584 3HB ALA 81 3HB ALA 81 12.321 -9.220 -9.220 585 H PHE 82 H PHE 82 10.392 -6.939 -6.939 586 HA PHE 82 HA PHE 82 10.821 -6.910 -6.910 587 1HB PHE 82 1HB PHE 82 8.689 -6.495 -6.495 588 2HB PHE 82 2HB PHE 82 9.219 -4.890 -4.890 589 HD1 PHE 82 HD2 PHE 82 8.250 -7.123 -7.123 590 HD2 PHE 82 HD1 PHE 82 9.077 -3.062 -3.062 591 HE1 PHE 82 HE2 PHE 82 7.296 -6.285 -6.285 592 HE2 PHE 82 HE1 PHE 82 8.070 -2.237 -2.237 593 HZ PHE 82 HZ PHE 82 7.164 -3.868 -3.868 594 H LEU 83 H LEU 83 11.430 -4.182 -4.182 595 HA LEU 83 HA LEU 83 12.293 -2.359 -2.359 596 1HB LEU 83 1HB LEU 83 12.471 -2.210 -2.210 597 2HB LEU 83 2HB LEU 83 13.052 -0.978 -0.978 598 HG LEU 83 HG LEU 83 10.489 -1.366 -1.366 599 1HD1 LEU 83 3HD2 LEU 83 9.894 -2.843 -2.843 600 2HD1 LEU 83 2HD2 LEU 83 10.369 -1.573 -1.573 601 3HD1 LEU 83 1HD2 LEU 83 9.008 -1.308 -1.308 602 1HD2 LEU 83 2HD1 LEU 83 11.595 0.822 0.822 603 2HD2 LEU 83 3HD1 LEU 83 9.966 0.773 0.773 604 3HD2 LEU 83 1HD1 LEU 83 11.379 0.568 0.568 605 H LYS 84 HN LYS 84 14.052 -3.990 -3.990 606 HA LYS 84 HA LYS 84 16.570 -3.202 -3.202 607 1HB LYS 84 1HB LYS 84 16.052 -5.987 -5.987 608 2HB LYS 84 2HB LYS 84 17.417 -4.912 -4.912 609 1HG LYS 84 2HG LYS 84 16.401 -3.309 -3.309 610 2HG LYS 84 1HG LYS 84 14.822 -4.058 -4.058 611 1HD LYS 84 1HD LYS 84 15.655 -4.667 -4.667 612 2HD LYS 84 2HD LYS 84 15.542 -6.066 -6.066 613 1HE LYS 84 1HE LYS 84 17.647 -6.063 -6.063 614 2HE LYS 84 2HE LYS 84 18.019 -5.990 -5.990 615 1HZ LYS 84 3HZ LYS 84 17.965 -3.691 -3.691 616 2HZ LYS 84 1HZ LYS 84 19.310 -4.441 -4.441 617 3HZ LYS 84 2HZ LYS 84 18.325 -3.609 -3.609 618 H GLU 85 HN GLU 85 14.708 -5.944 -5.944 619 HA GLU 85 HA GLU 85 16.689 -7.142 -7.142 620 1HB GLU 85 1HB GLU 85 14.368 -7.950 -7.950 621 2HB GLU 85 2HB GLU 85 13.760 -6.604 -6.604 622 1HG GLU 85 1HG GLU 85 15.037 -7.515 -7.515 623 2HG GLU 85 2HG GLU 85 15.523 -8.890 -8.890 624 H LYS 86 HN LYS 86 14.886 -4.123 -4.123 625 HA LYS 86 HA LYS 86 16.026 -3.898 -3.898 626 1HB LYS 86 1HB LYS 86 13.847 -2.329 -2.329 627 2HB LYS 86 2HB LYS 86 14.282 -2.218 -2.218 628 1HG LYS 86 2HG LYS 86 13.648 -4.602 -4.602 629 2HG LYS 86 1HG LYS 86 13.246 -4.726 -4.726 630 1HD LYS 86 1HD LYS 86 11.494 -3.014 -3.014 631 2HD LYS 86 2HD LYS 86 11.844 -2.877 -2.877 632 1HE LYS 86 1HE LYS 86 9.890 -4.328 -4.328 633 2HE LYS 86 2HE LYS 86 11.201 -5.256 -5.256 634 1HZ LYS 86 1HZ LYS 86 10.711 -5.176 -5.176 635 2HZ LYS 86 3HZ LYS 86 10.068 -6.314 -6.314 636 3HZ LYS 86 2HZ LYS 86 11.697 -6.208 -6.208 637 H LEU 87 H LEU 87 15.601 -1.947 -1.947 638 HA LEU 87 HA LEU 87 17.300 0.167 0.167 639 1HB LEU 87 1HB LEU 87 15.230 0.551 0.551 640 2HB LEU 87 2HB LEU 87 15.966 -0.253 -0.253 641 HG LEU 87 HG LEU 87 17.621 1.559 1.559 642 1HD1 LEU 87 3HD2 LEU 87 16.213 2.762 2.762 643 2HD1 LEU 87 2HD2 LEU 87 17.350 3.634 3.634 644 3HD1 LEU 87 1HD2 LEU 87 17.918 2.263 2.263 645 1HD2 LEU 87 3HD1 LEU 87 15.393 1.758 1.758 646 2HD2 LEU 87 2HD1 LEU 87 16.081 3.334 3.334 647 3HD2 LEU 87 1HD1 LEU 87 14.788 2.630 2.630 648 H ASP 88 HN ASP 88 17.861 -2.679 -2.679 649 HA ASP 88 HA ASP 88 19.483 -3.404 -3.404 650 1HB ASP 88 2HB ASP 88 20.133 -3.891 -3.891 651 2HB ASP 88 1HB ASP 88 20.916 -2.313 -2.313 652 H ASP 89 HN ASP 89 18.859 -1.605 -1.605 653 HA ASP 89 HA ASP 89 21.385 -0.400 -0.400 654 1HB ASP 89 2HB ASP 89 20.257 1.480 1.480 655 2HB ASP 89 1HB ASP 89 18.749 1.105 1.105 656 H LYS 90 HN LYS 90 21.541 -0.313 -0.313 657 HA LYS 90 HA LYS 90 20.470 -2.488 -2.488 658 1HB LYS 90 2HB LYS 90 22.583 -1.272 -1.272 659 2HB LYS 90 1HB LYS 90 21.641 0.111 0.111 660 1HG LYS 90 2HG LYS 90 20.645 -1.334 -1.334 661 2HG LYS 90 1HG LYS 90 21.565 -2.720 -2.720 662 1HD LYS 90 2HD LYS 90 23.692 -1.471 -1.471 663 2HD LYS 90 1HD LYS 90 22.757 -0.137 -0.137 664 1HE LYS 90 1HE LYS 90 22.821 -3.015 -3.015 665 2HE LYS 90 2HE LYS 90 23.698 -1.643 -1.643 666 1HZ LYS 90 3HZ LYS 90 21.593 -0.594 -0.594 667 2HZ LYS 90 1HZ LYS 90 20.779 -1.891 -1.891 668 3HZ LYS 90 2HZ LYS 90 21.695 -2.060 -2.060 669 H LYS 91 HN LYS 91 19.348 0.879 0.879 670 HA LYS 91 HA LYS 91 17.172 0.382 0.382 671 1HB LYS 91 2HB LYS 91 18.181 3.012 3.012 672 2HB LYS 91 1HB LYS 91 17.000 2.799 2.799 673 1HG LYS 91 1HG LYS 91 18.783 1.616 1.616 674 2HG LYS 91 2HG LYS 91 19.963 2.068 2.068 675 1HD LYS 91 2HD LYS 91 18.279 4.010 4.010 676 2HD LYS 91 1HD LYS 91 19.983 3.613 3.613 677 1HE LYS 91 2HE LYS 91 20.520 4.486 4.486 678 2HE LYS 91 1HE LYS 91 18.831 5.007 5.007 679 1HZ LYS 91 3HZ LYS 91 19.131 6.396 6.396 680 2HZ LYS 91 1HZ LYS 91 20.705 5.926 5.926 681 3HZ LYS 91 2HZ LYS 91 20.221 6.772 6.772 682 H ALA 92 H ALA 92 17.280 -0.508 -0.508 683 HA ALA 92 HA ALA 92 15.093 1.088 1.088 684 1HB ALA 92 3HB ALA 92 16.425 -1.471 -1.471 685 2HB ALA 92 2HB ALA 92 15.150 -0.614 -0.614 686 3HB ALA 92 1HB ALA 92 16.711 0.165 0.165 687 H LYS 93 HN LYS 93 13.920 0.770 0.770 688 HA LYS 93 HA LYS 93 12.234 -1.695 -1.695 689 1HB LYS 93 2HB LYS 93 13.983 -1.670 -1.670 690 2HB LYS 93 1HB LYS 93 13.277 -0.209 -0.209 691 1HG LYS 93 1HG LYS 93 11.503 -2.629 -2.629 692 2HG LYS 93 2HG LYS 93 12.730 -2.710 -2.710 693 1HD LYS 93 1HD LYS 93 11.873 -0.795 -0.795 694 2HD LYS 93 2HD LYS 93 10.774 -0.399 -0.399 695 1HE LYS 93 1HE LYS 93 9.623 -2.641 -2.641 696 2HE LYS 93 2HE LYS 93 10.642 -2.852 -2.852 697 1HZ LYS 93 2HZ LYS 93 9.667 -0.803 -0.803 698 2HZ LYS 93 1HZ LYS 93 8.731 -0.689 -0.689 699 3HZ LYS 93 3HZ LYS 93 8.510 -1.940 -1.940 700 H THR 94 H THR 94 9.948 -1.326 -1.326 701 HA THR 94 HA THR 94 9.117 1.431 1.431 702 HB THR 94 HB THR 94 8.412 -0.306 -0.306 703 HG1 THR 94 HG1 THR 94 6.961 1.407 1.407 704 1HG2 THR 94 1HG2 THR 94 7.163 -1.686 -1.686 705 2HG2 THR 94 3HG2 THR 94 6.777 -2.082 -2.082 706 3HG2 THR 94 2HG2 THR 94 8.417 -2.337 -2.337 707 H GLY 95 H GLY 95 7.508 2.411 2.411 708 1HA GLY 95 1HA GLY 95 7.696 2.064 2.064 709 2HA GLY 95 2HA GLY 95 6.371 2.883 2.883 710 H MET 96 H MET 96 5.648 0.388 0.388 711 HA MET 96 HA MET 96 3.671 -0.572 -0.572 712 1HB MET 96 2HB MET 96 3.843 -0.605 -0.605 713 2HB MET 96 1HB MET 96 4.813 -2.050 -2.050 714 1HG MET 96 1HG MET 96 3.142 -3.355 -3.355 715 2HG MET 96 2HG MET 96 2.239 -2.009 -2.009 716 1HE MET 96 2HE MET 96 2.896 -4.267 -4.267 717 2HE MET 96 1HE MET 96 1.889 -3.483 -3.483 718 3HE MET 96 3HE MET 96 3.383 -2.689 -2.689 719 H ALA 97 H ALA 97 4.764 -1.121 -1.121 720 HA ALA 97 HA ALA 97 6.232 -3.619 -3.619 721 1HB ALA 97 1HB ALA 97 6.476 -1.795 -1.795 722 2HB ALA 97 3HB ALA 97 4.774 -1.978 -1.978 723 3HB ALA 97 2HB ALA 97 5.932 -3.292 -3.292 724 H PHE 98 H PHE 98 4.345 -4.451 -4.451 725 HA PHE 98 HA PHE 98 2.746 -6.394 -6.394 726 1HB PHE 98 1HB PHE 98 1.116 -4.690 -4.690 727 2HB PHE 98 2HB PHE 98 1.563 -3.863 -3.863 728 HD1 PHE 98 HD2 PHE 98 0.834 -4.607 -4.607 729 HD2 PHE 98 HD1 PHE 98 -0.516 -6.597 -6.597 730 HE1 PHE 98 HE2 PHE 98 -0.820 -5.842 -5.842 731 HE2 PHE 98 HE1 PHE 98 -2.250 -7.772 -7.772 732 HZ PHE 98 HZ PHE 98 -2.412 -7.412 -7.412 733 H LYS 99 HN LYS 99 1.800 -7.849 -7.849 734 HA LYS 99 HA LYS 99 2.453 -7.334 -7.334 735 1HB LYS 99 1HB LYS 99 3.659 -9.400 -9.400 736 2HB LYS 99 2HB LYS 99 4.553 -8.380 -8.380 737 1HG LYS 99 1HG LYS 99 3.937 -9.792 -9.792 738 2HG LYS 99 2HG LYS 99 2.864 -10.765 -10.765 739 1HD LYS 99 1HD LYS 99 4.783 -11.415 -11.415 740 2HD LYS 99 2HD LYS 99 5.878 -10.484 -10.484 741 1HE LYS 99 1HE LYS 99 5.266 -11.937 -11.937 742 2HE LYS 99 2HE LYS 99 4.145 -12.843 -12.843 743 1HZ LYS 99 3HZ LYS 99 6.004 -13.485 -13.485 744 2HZ LYS 99 1HZ LYS 99 7.049 -12.653 -12.653 745 3HZ LYS 99 2HZ LYS 99 6.232 -13.953 -13.953 746 H LEU 100 H LEU 100 1.712 -9.421 -9.421 747 HA LEU 100 HA LEU 100 -0.959 -10.155 -10.155 748 1HB LEU 100 1HB LEU 100 -0.854 -8.801 -8.801 749 2HB LEU 100 2HB LEU 100 0.144 -10.082 -10.082 750 HG LEU 100 HG LEU 100 -1.819 -11.674 -11.674 751 1HD1 LEU 100 1HD1 LEU 100 -3.312 -9.119 -9.119 752 2HD1 LEU 100 2HD1 LEU 100 -4.030 -10.709 -10.709 753 3HD1 LEU 100 3HD1 LEU 100 -3.049 -10.487 -10.487 754 1HD2 LEU 100 3HD2 LEU 100 -2.244 -9.223 -9.223 755 2HD2 LEU 100 1HD2 LEU 100 -1.334 -10.704 -10.704 756 3HD2 LEU 100 2HD2 LEU 100 -3.096 -10.780 -10.780 757 H ALA 101 H ALA 101 -1.430 -12.399 -12.399 758 HA ALA 101 HA ALA 101 0.976 -14.182 -14.182 759 1HB ALA 101 2HB ALA 101 0.124 -14.015 -14.015 760 2HB ALA 101 1HB ALA 101 -1.499 -14.482 -14.482 761 3HB ALA 101 3HB ALA 101 -0.140 -15.637 -15.637 762 H LYS 102 HN LYS 102 -0.393 -13.173 -13.173 763 HA LYS 102 HA LYS 102 -1.507 -15.622 -15.622 764 1HB LYS 102 1HB LYS 102 -3.106 -13.035 -13.035 765 2HB LYS 102 2HB LYS 102 -3.429 -14.332 -14.332 766 1HG LYS 102 1HG LYS 102 -3.687 -15.918 -15.918 767 2HG LYS 102 2HG LYS 102 -3.644 -14.534 -14.534 768 1HD LYS 102 1HD LYS 102 -5.621 -14.902 -14.902 769 2HD LYS 102 2HD LYS 102 -5.961 -15.338 -15.338 770 1HE LYS 102 1HE LYS 102 -5.350 -12.501 -12.501 771 2HE LYS 102 2HE LYS 102 -6.949 -13.158 -13.158 772 1HZ LYS 102 1HZ LYS 102 -6.243 -13.552 -13.552 773 2HZ LYS 102 3HZ LYS 102 -4.779 -12.863 -12.863 774 3HZ LYS 102 2HZ LYS 102 -6.152 -11.957 -11.957 775 H GLY 103 H GLY 103 -1.837 -15.254 -15.254 776 1HA GLY 103 1HA GLY 103 0.548 -14.358 -14.358 777 2HA GLY 103 2HA GLY 103 -0.963 -14.727 -14.727 778 H GLY 104 H GLY 104 -1.989 -12.369 -12.369 779 1HA GLY 104 1HA GLY 104 -2.317 -10.120 -10.120 780 2HA GLY 104 2HA GLY 104 -0.845 -10.027 -10.027 781 H GLU 105 HN GLU 105 -1.896 -11.703 -11.703 782 HA GLU 105 HA GLU 105 -2.856 -9.958 -9.958 783 1HB GLU 105 1HB GLU 105 -3.766 -11.890 -11.890 784 2HB GLU 105 2HB GLU 105 -2.117 -12.106 -12.106 785 1HG GLU 105 1HG GLU 105 -2.971 -13.494 -13.494 786 2HG GLU 105 2HG GLU 105 -4.617 -13.300 -13.300 787 H ASP 106 HN ASP 106 -4.922 -11.594 -11.594 788 HA ASP 106 HA ASP 106 -7.461 -10.872 -10.872 789 1HB ASP 106 1HB ASP 106 -8.298 -11.432 -11.432 790 2HB ASP 106 2HB ASP 106 -7.232 -12.691 -12.691 791 H VAL 107 H VAL 107 -5.300 -9.380 -9.380 792 HA VAL 107 HA VAL 107 -7.078 -7.158 -7.158 793 HB VAL 107 HB VAL 107 -4.075 -7.344 -7.344 794 1HG1 VAL 107 1HG1 VAL 107 -6.330 -5.772 -5.772 795 2HG1 VAL 107 3HG1 VAL 107 -4.642 -5.833 -5.833 796 3HG1 VAL 107 2HG1 VAL 107 -5.041 -5.098 -5.098 797 1HG2 VAL 107 2HG2 VAL 107 -6.367 -8.345 -8.345 798 2HG2 VAL 107 1HG2 VAL 107 -5.062 -9.327 -9.327 799 3HG2 VAL 107 3HG2 VAL 107 -4.692 -8.139 -8.139 800 H ALA 108 H ALA 108 -4.258 -7.760 -7.760 801 HA ALA 108 HA ALA 108 -3.971 -5.146 -5.146 802 1HB ALA 108 1HB ALA 108 -2.328 -6.965 -6.965 803 2HB ALA 108 3HB ALA 108 -3.452 -7.784 -7.784 804 3HB ALA 108 2HB ALA 108 -2.794 -6.197 -6.197 805 H ALA 109 H ALA 109 -6.016 -7.881 -7.881 806 HA ALA 109 HA ALA 109 -7.151 -6.524 -6.524 807 1HB ALA 109 2HB ALA 109 -8.356 -8.707 -8.707 808 2HB ALA 109 1HB ALA 109 -8.951 -8.202 -8.202 809 3HB ALA 109 3HB ALA 109 -7.342 -8.927 -8.927 810 H TYR 110 H TYR 110 -8.247 -6.716 -6.716 811 HA TYR 110 HA TYR 110 -10.561 -5.096 -5.096 812 1HB TYR 110 2HB TYR 110 -10.350 -6.201 -6.201 813 2HB TYR 110 1HB TYR 110 -8.721 -5.608 -5.608 814 HD1 TYR 110 HD1 TYR 110 -12.204 -4.263 -4.263 815 HD2 TYR 110 HD2 TYR 110 -8.395 -3.783 -3.783 816 HE1 TYR 110 HE1 TYR 110 -13.064 -2.265 -2.265 817 HE2 TYR 110 HE2 TYR 110 -9.236 -1.747 -1.747 818 HH TYR 110 HH TYR 110 -11.055 -0.417 -0.417 819 H LEU 111 H LEU 111 -7.173 -4.044 -4.044 820 HA LEU 111 HA LEU 111 -7.725 -1.306 -1.306 821 1HB LEU 111 2HB LEU 111 -5.233 -2.970 -2.970 822 2HB LEU 111 1HB LEU 111 -5.216 -1.224 -1.224 823 HG LEU 111 HG LEU 111 -6.241 -3.061 -3.061 824 1HD1 LEU 111 3HD2 LEU 111 -3.844 -3.404 -3.404 825 2HD1 LEU 111 2HD2 LEU 111 -3.559 -1.650 -1.650 826 3HD1 LEU 111 1HD2 LEU 111 -4.118 -2.564 -2.564 827 1HD2 LEU 111 1HD1 LEU 111 -5.629 -0.078 -0.078 828 2HD2 LEU 111 2HD1 LEU 111 -7.212 -0.829 -0.829 829 3HD2 LEU 111 3HD1 LEU 111 -5.919 -1.015 -1.015 830 H ALA 112 H ALA 112 -6.865 -3.449 -3.449 831 HA ALA 112 HA ALA 112 -6.603 -1.335 -1.335 832 1HB ALA 112 3HB ALA 112 -5.901 -3.651 -3.651 833 2HB ALA 112 1HB ALA 112 -7.596 -4.181 -4.181 834 3HB ALA 112 2HB ALA 112 -6.998 -3.052 -3.052 835 H SER 113 H SER 113 -9.454 -3.256 -3.256 836 HA SER 113 HA SER 113 -11.357 -1.984 -1.984 837 1HB SER 113 2HB SER 113 -11.695 -4.115 -4.115 838 2HB SER 113 1HB SER 113 -11.909 -3.106 -3.106 839 HG SER 113 HG SER 113 -13.546 -1.971 -1.971 840 H VAL 114 H VAL 114 -9.884 -0.916 -0.916 841 HA VAL 114 HA VAL 114 -11.801 1.126 1.126 842 HB VAL 114 HB VAL 114 -8.913 0.770 0.770 843 1HG1 VAL 114 3HG1 VAL 114 -10.937 2.719 2.719 844 2HG1 VAL 114 2HG1 VAL 114 -9.386 2.269 2.269 845 3HG1 VAL 114 1HG1 VAL 114 -9.403 3.117 3.117 846 1HG2 VAL 114 3HG2 VAL 114 -10.636 -0.955 -0.955 847 2HG2 VAL 114 2HG2 VAL 114 -9.824 -0.045 -0.045 848 3HG2 VAL 114 1HG2 VAL 114 -11.476 0.378 0.378 849 H VAL 115 H VAL 115 -9.129 0.985 0.985 850 HA VAL 115 HA VAL 115 -8.743 3.792 3.792 851 HB VAL 115 HB VAL 115 -8.260 1.509 1.509 852 1HG1 VAL 115 3HG1 VAL 115 -7.184 4.359 4.359 853 2HG1 VAL 115 1HG1 VAL 115 -6.624 3.080 3.080 854 3HG1 VAL 115 2HG1 VAL 115 -8.275 3.686 3.686 855 1HG2 VAL 115 3HG2 VAL 115 -6.957 1.277 1.277 856 2HG2 VAL 115 2HG2 VAL 115 -5.967 1.508 1.508 857 3HG2 VAL 115 1HG2 VAL 115 -6.244 2.870 2.870 858 H LYS 116 HN LYS 116 -10.744 4.746 4.746 859 HA LYS 116 HA LYS 116 -12.111 4.637 4.637 860 1HB LYS 116 1HB LYS 116 -13.435 4.687 4.687 861 2HB LYS 116 2HB LYS 116 -14.281 4.910 4.910 862 1HG LYS 116 1HG LYS 116 -13.617 2.641 2.641 863 2HG LYS 116 2HG LYS 116 -12.783 2.368 2.368 864 1HD LYS 116 1HD LYS 116 -15.774 2.852 2.852 865 2HD LYS 116 2HD LYS 116 -14.981 1.319 1.319 866 1HE LYS 116 2HE LYS 116 -15.187 3.799 3.799 867 2HE LYS 116 1HE LYS 116 -15.900 2.205 2.205 868 1HZ LYS 116 3HZ LYS 116 -13.619 1.345 1.345 869 2HZ LYS 116 1HZ LYS 116 -13.047 2.887 2.887 870 3HZ LYS 116 2HZ LYS 116 -13.990 2.411 2.411 871 HHA HEC 117 HHA HEM 117 2.766 2.442 2.442 872 HHB HEC 117 HHB HEM 117 -1.248 -1.953 -1.953 873 HHC HEC 117 HHC HEM 117 -2.567 -3.745 -3.745 874 HHD HEC 117 HHD HEM 117 1.375 0.835 0.835 875 1HMA HEC 117 1HMA HEM 117 0.931 -1.562 -1.562 876 2HMA HEC 117 2HMA HEM 117 -0.524 -0.530 -0.530 877 3HMA HEC 117 3HMA HEM 117 1.056 0.119 0.119 878 1HAA HEC 117 1HAA HEM 117 3.648 1.385 1.385 879 2HAA HEC 117 2HAA HEM 117 2.825 1.084 1.084 880 1HBA HEC 117 1HBA HEM 117 3.408 3.492 3.492 881 2HBA HEC 117 2HBA HEM 117 2.136 3.464 3.464 882 1HMB HEC 117 1HMB HEM 117 -2.722 -4.425 -4.425 883 2HMB HEC 117 2HMB HEM 117 -3.348 -2.768 -2.768 884 3HMB HEC 117 3HMB HEM 117 -4.289 -3.958 -3.958 885 HAB HEC 117 HAB HEM 117 -3.592 -5.069 -5.069 886 1HBB HEC 117 1HBB HEM 117 -2.343 -6.482 -6.482 887 2HBB HEC 117 2HBB HEM 117 -4.026 -6.984 -6.984 888 3HBB HEC 117 3HBB HEM 117 -3.586 -6.115 -6.115 889 1HMC HEC 117 1HMC HEM 117 -2.325 -4.123 -4.123 890 2HMC HEC 117 2HMC HEM 117 -3.141 -2.717 -2.717 891 3HMC HEC 117 3HMC HEM 117 -1.708 -3.432 -3.432 892 HAC HEC 117 HAC HEM 117 -0.664 -1.693 -1.693 893 1HBC HEC 117 1HBC HEM 117 1.658 -0.655 -0.655 894 2HBC HEC 117 2HBC HEM 117 0.766 -0.298 -0.298 895 3HBC HEC 117 3HBC HEM 117 0.790 0.906 0.906 896 1HMD HEC 117 1HMD HEM 117 3.386 2.006 2.006 897 2HMD HEC 117 2HMD HEM 117 2.193 3.310 3.310 898 3HMD HEC 117 3HMD HEM 117 3.818 3.505 3.505 899 1HAD HEC 117 1HAD HEM 117 3.377 4.199 4.199 900 2HAD HEC 117 2HAD HEM 117 4.037 4.265 4.265 901 1HBD HEC 117 1HBD HEM 117 5.341 2.145 2.145 902 2HBD HEC 117 2HBD HEM 117 4.942 2.492 2.492 Start of MODEL 14 1 1H GLY 1 1H GLY 1 -7.243 -12.453 -12.453 2 2H GLY 1 2H GLY 1 -6.947 -10.873 -10.873 3 1HA GLY 1 1HA GLY 1 -6.565 -13.304 -13.304 4 2HA GLY 1 2HA GLY 1 -6.213 -11.649 -11.649 5 H ASP 2 HN ASP 2 -7.958 -13.428 -13.428 6 HA ASP 2 HA ASP 2 -10.692 -13.014 -13.014 7 1HB ASP 2 2HB ASP 2 -9.395 -13.707 -13.707 8 2HB ASP 2 1HB ASP 2 -11.074 -13.993 -13.993 9 H ALA 3 H ALA 3 -10.399 -10.591 -10.591 10 HA ALA 3 HA ALA 3 -10.135 -8.627 -8.627 11 1HB ALA 3 2HB ALA 3 -10.625 -8.216 -8.216 12 2HB ALA 3 3HB ALA 3 -12.300 -8.768 -8.768 13 3HB ALA 3 1HB ALA 3 -11.733 -7.289 -7.289 14 H ALA 4 H ALA 4 -13.040 -10.663 -10.663 15 HA ALA 4 HA ALA 4 -14.741 -9.352 -9.352 16 1HB ALA 4 3HB ALA 4 -15.485 -11.143 -11.143 17 2HB ALA 4 2HB ALA 4 -14.515 -12.331 -12.331 18 3HB ALA 4 1HB ALA 4 -15.892 -11.527 -11.527 19 H LYS 5 HN LYS 5 -12.134 -11.737 -11.737 20 HA LYS 5 HA LYS 5 -12.737 -11.969 -11.969 21 1HB LYS 5 1HB LYS 5 -10.314 -12.847 -12.847 22 2HB LYS 5 2HB LYS 5 -10.591 -13.176 -13.176 23 1HG LYS 5 1HG LYS 5 -12.664 -14.419 -14.419 24 2HG LYS 5 2HG LYS 5 -12.382 -14.114 -14.114 25 1HD LYS 5 1HD LYS 5 -10.197 -15.337 -15.337 26 2HD LYS 5 2HD LYS 5 -10.489 -15.610 -15.610 27 1HE LYS 5 2HE LYS 5 -11.046 -17.617 -17.617 28 2HE LYS 5 1HE LYS 5 -12.521 -16.940 -16.940 29 1HZ LYS 5 2HZ LYS 5 -11.631 -16.586 -16.586 30 2HZ LYS 5 1HZ LYS 5 -12.811 -17.616 -17.616 31 3HZ LYS 5 3HZ LYS 5 -13.026 -15.989 -15.989 32 H GLY 6 H GLY 6 -10.491 -10.305 -10.305 33 1HA GLY 6 1HA GLY 6 -8.816 -8.953 -8.953 34 2HA GLY 6 2HA GLY 6 -9.393 -8.305 -8.305 35 H GLU 7 HN GLU 7 -12.070 -7.867 -7.867 36 HA GLU 7 HA GLU 7 -12.267 -5.429 -5.429 37 1HB GLU 7 1HB GLU 7 -14.379 -7.555 -7.555 38 2HB GLU 7 2HB GLU 7 -14.763 -5.963 -5.963 39 1HG GLU 7 2HG GLU 7 -13.878 -4.835 -4.835 40 2HG GLU 7 1HG GLU 7 -13.310 -6.350 -6.350 41 H LYS 8 HN LYS 8 -13.176 -8.679 -8.679 42 HA LYS 8 HA LYS 8 -14.041 -7.756 -7.756 43 1HB LYS 8 2HB LYS 8 -13.125 -10.525 -10.525 44 2HB LYS 8 1HB LYS 8 -13.993 -10.137 -10.137 45 1HG LYS 8 2HG LYS 8 -15.903 -9.264 -9.264 46 2HG LYS 8 1HG LYS 8 -15.053 -9.709 -9.709 47 1HD LYS 8 2HD LYS 8 -14.996 -12.083 -12.083 48 2HD LYS 8 1HD LYS 8 -15.905 -11.640 -11.640 49 1HE LYS 8 2HE LYS 8 -17.773 -10.803 -10.803 50 2HE LYS 8 1HE LYS 8 -16.861 -11.270 -11.270 51 1HZ LYS 8 1HZ LYS 8 -16.940 -13.532 -13.532 52 2HZ LYS 8 2HZ LYS 8 -17.787 -13.098 -13.098 53 3HZ LYS 8 3HZ LYS 8 -18.461 -12.916 -12.916 54 H GLU 9 HN GLU 9 -11.030 -9.201 -9.201 55 HA GLU 9 HA GLU 9 -9.564 -9.342 -9.342 56 1HB GLU 9 1HB GLU 9 -9.006 -10.288 -10.288 57 2HB GLU 9 2HB GLU 9 -8.426 -8.681 -8.681 58 1HG GLU 9 2HG GLU 9 -7.385 -10.387 -10.387 59 2HG GLU 9 1HG GLU 9 -6.633 -10.259 -10.259 60 H PHE 10 H PHE 10 -10.012 -6.609 -6.609 61 HA PHE 10 HA PHE 10 -8.236 -4.837 -4.837 62 1HB PHE 10 1HB PHE 10 -9.730 -4.607 -4.607 63 2HB PHE 10 2HB PHE 10 -10.909 -3.873 -3.873 64 HD1 PHE 10 HD1 PHE 10 -7.440 -3.606 -3.606 65 HD2 PHE 10 HD2 PHE 10 -10.486 -1.644 -1.644 66 HE1 PHE 10 HE1 PHE 10 -6.039 -1.572 -1.572 67 HE2 PHE 10 HE2 PHE 10 -9.076 0.397 0.397 68 HZ PHE 10 HZ PHE 10 -6.843 0.425 0.425 69 H ASN 11 H ASN 11 -11.207 -5.939 -5.939 70 HA ASN 11 HA ASN 11 -11.738 -3.778 -3.778 71 1HB ASN 11 1HB ASN 11 -13.057 -5.949 -5.949 72 2HB ASN 11 2HB ASN 11 -11.965 -6.705 -6.705 73 1HD2 ASN 11 2HD2 ASN 11 -13.421 -4.317 -4.317 74 2HD2 ASN 11 1HD2 ASN 11 -11.799 -4.451 -4.451 75 H LYS 12 HN LYS 12 -9.115 -6.181 -6.181 76 HA LYS 12 HA LYS 12 -8.194 -5.625 -5.625 77 1HB LYS 12 2HB LYS 12 -6.708 -6.842 -6.842 78 2HB LYS 12 1HB LYS 12 -6.247 -6.916 -6.916 79 1HG LYS 12 2HG LYS 12 -8.681 -8.265 -8.265 80 2HG LYS 12 1HG LYS 12 -7.165 -9.009 -9.009 81 1HD LYS 12 1HD LYS 12 -8.368 -9.581 -9.581 82 2HD LYS 12 2HD LYS 12 -7.772 -8.023 -8.023 83 1HE LYS 12 2HE LYS 12 -9.967 -6.984 -6.984 84 2HE LYS 12 1HE LYS 12 -10.495 -8.552 -8.552 85 1HZ LYS 12 3HZ LYS 12 -10.323 -9.417 -9.417 86 2HZ LYS 12 2HZ LYS 12 -9.820 -7.957 -7.957 87 3HZ LYS 12 1HZ LYS 12 -11.337 -8.119 -8.119 88 H CYS 13 H CYS 13 -7.145 -4.747 -4.747 89 HA CYS 13 HA CYS 13 -5.008 -3.050 -3.050 90 1HB CYS 13 1HB CYS 13 -7.011 -2.608 -2.608 91 2HB CYS 13 2HB CYS 13 -5.332 -2.055 -2.055 92 H LYS 14 HN LYS 14 -8.455 -2.302 -2.302 93 HA LYS 14 HA LYS 14 -8.548 0.407 0.407 94 1HB LYS 14 1HB LYS 14 -10.490 -1.047 -1.047 95 2HB LYS 14 2HB LYS 14 -10.369 -1.739 -1.739 96 1HG LYS 14 1HG LYS 14 -10.914 0.479 0.479 97 2HG LYS 14 2HG LYS 14 -11.096 1.145 1.145 98 1HD LYS 14 2HD LYS 14 -12.901 -0.596 -0.596 99 2HD LYS 14 1HD LYS 14 -12.662 -1.185 -1.185 100 1HE LYS 14 1HE LYS 14 -13.712 1.572 1.572 101 2HE LYS 14 2HE LYS 14 -14.617 0.247 0.247 102 1HZ LYS 14 1HZ LYS 14 -13.113 0.483 0.483 103 2HZ LYS 14 3HZ LYS 14 -12.461 1.830 1.830 104 3HZ LYS 14 2HZ LYS 14 -14.046 1.813 1.813 105 H THR 15 H THR 15 -7.543 -1.905 -1.905 106 HA THR 15 HA THR 15 -8.169 -0.323 -0.323 107 HB THR 15 HB THR 15 -5.657 -2.005 -2.005 108 HG1 THR 15 HG1 THR 15 -7.358 -3.299 -3.299 109 1HG2 THR 15 3HG2 THR 15 -7.245 -1.283 -1.283 110 2HG2 THR 15 1HG2 THR 15 -5.858 -2.387 -2.387 111 3HG2 THR 15 2HG2 THR 15 -5.630 -0.664 -0.664 112 H CYS 16 H CYS 16 -5.494 -0.135 -0.135 113 HA CYS 16 HA CYS 16 -4.348 2.245 2.245 114 1HB CYS 16 1HB CYS 16 -3.144 0.244 0.244 115 2HB CYS 16 2HB CYS 16 -2.312 1.696 1.696 116 H HIS 17 HN HIS 17 -5.450 1.000 1.000 117 HA HIS 17 HA HIS 17 -4.654 3.509 3.509 118 1HB HIS 17 1HB HIS 17 -5.535 0.736 0.736 119 2HB HIS 17 2HB HIS 17 -5.333 2.094 2.094 120 HD1 HIS 17 HD1 HIS 17 -2.924 3.255 3.255 121 HD2 HIS 17 HD2 HIS 17 -3.081 -0.527 -0.527 122 HE1 HIS 17 HE1 HIS 17 -0.600 2.251 2.251 123 H SER 18 H SER 18 -6.179 4.335 4.335 124 HA SER 18 HA SER 18 -9.040 3.942 3.942 125 1HB SER 18 1HB SER 18 -7.654 6.654 6.654 126 2HB SER 18 2HB SER 18 -9.391 6.371 6.371 127 HG SER 18 HG SER 18 -7.381 5.498 5.498 128 H ILE 19 H ILE 19 -10.406 4.417 4.417 129 HA ILE 19 HA ILE 19 -9.096 4.888 4.888 130 HB ILE 19 HB ILE 19 -11.383 2.990 2.990 131 1HG1 ILE 19 2HG1 ILE 19 -8.559 2.542 2.542 132 2HG1 ILE 19 1HG1 ILE 19 -9.113 2.077 2.077 133 1HG2 ILE 19 3HG2 ILE 19 -11.620 4.375 4.375 134 2HG2 ILE 19 1HG2 ILE 19 -10.096 3.646 3.646 135 3HG2 ILE 19 2HG2 ILE 19 -11.531 2.641 2.641 136 1HD1 ILE 19 3HD1 ILE 19 -10.764 0.534 0.534 137 2HD1 ILE 19 2HD1 ILE 19 -10.154 0.930 0.930 138 3HD1 ILE 19 1HD1 ILE 19 -9.098 0.136 0.136 139 H ILE 20 H ILE 20 -9.959 6.617 6.617 140 HA ILE 20 HA ILE 20 -12.279 8.005 8.005 141 HB ILE 20 HB ILE 20 -9.843 8.716 8.716 142 1HG1 ILE 20 2HG1 ILE 20 -10.551 11.260 11.260 143 2HG1 ILE 20 1HG1 ILE 20 -12.099 10.482 10.482 144 1HG2 ILE 20 2HG2 ILE 20 -8.946 8.631 8.631 145 2HG2 ILE 20 3HG2 ILE 20 -9.834 10.128 10.128 146 3HG2 ILE 20 1HG2 ILE 20 -8.580 10.082 10.082 147 1HD1 ILE 20 1HD1 ILE 20 -11.957 9.374 9.374 148 2HD1 ILE 20 2HD1 ILE 20 -10.478 10.300 10.300 149 3HD1 ILE 20 3HD1 ILE 20 -12.014 11.154 11.154 150 H ALA 21 H ALA 21 -13.659 8.818 8.818 151 HA ALA 21 HA ALA 21 -13.159 8.017 8.017 152 1HB ALA 21 2HB ALA 21 -15.442 8.230 8.230 153 2HB ALA 21 1HB ALA 21 -15.202 9.985 9.985 154 3HB ALA 21 3HB ALA 21 -15.266 9.162 9.162 155 HA PRO 22 HA PRO 22 -10.799 11.545 11.545 156 1HB PRO 22 2HB PRO 22 -12.945 12.010 12.010 157 2HB PRO 22 1HB PRO 22 -11.169 12.025 12.025 158 1HG PRO 22 1HG PRO 22 -12.562 9.820 9.820 159 2HG PRO 22 2HG PRO 22 -11.069 9.631 9.631 160 1HD PRO 22 1HD PRO 22 -13.934 9.594 9.594 161 2HD PRO 22 2HD PRO 22 -12.591 8.482 8.482 162 H ASP 23 HN ASP 23 -14.308 12.083 12.083 163 HA ASP 23 HA ASP 23 -14.189 14.940 14.940 164 1HB ASP 23 1HB ASP 23 -16.623 14.631 14.631 165 2HB ASP 23 2HB ASP 23 -16.120 13.869 13.869 166 H GLY 24 H GLY 24 -13.366 12.448 12.448 167 1HA GLY 24 1HA GLY 24 -12.616 12.973 12.973 168 2HA GLY 24 2HA GLY 24 -13.822 14.242 14.242 169 H THR 25 H THR 25 -15.872 12.049 12.049 170 HA THR 25 HA THR 25 -16.943 11.331 11.331 171 HB THR 25 HB THR 25 -17.339 9.936 9.936 172 HG1 THR 25 HG1 THR 25 -17.921 12.067 12.067 173 1HG2 THR 25 3HG2 THR 25 -19.040 9.943 9.943 174 2HG2 THR 25 2HG2 THR 25 -19.528 9.279 9.279 175 3HG2 THR 25 1HG2 THR 25 -18.191 8.535 8.535 176 H GLU 26 HN GLU 26 -16.200 9.959 9.959 177 HA GLU 26 HA GLU 26 -13.913 8.304 8.304 178 1HB GLU 26 2HB GLU 26 -15.836 8.128 8.128 179 2HB GLU 26 1HB GLU 26 -14.133 7.653 7.653 180 1HG GLU 26 2HG GLU 26 -13.675 10.171 10.171 181 2HG GLU 26 1HG GLU 26 -15.315 10.459 10.459 182 H ILE 27 H ILE 27 -13.764 6.222 6.222 183 HA ILE 27 HA ILE 27 -16.274 4.683 4.683 184 HB ILE 27 HB ILE 27 -13.400 4.031 4.031 185 1HG1 ILE 27 1HG1 ILE 27 -13.935 5.969 5.969 186 2HG1 ILE 27 2HG1 ILE 27 -14.117 4.582 4.582 187 1HG2 ILE 27 2HG2 ILE 27 -16.030 2.742 2.742 188 2HG2 ILE 27 1HG2 ILE 27 -14.441 2.374 2.374 189 3HG2 ILE 27 3HG2 ILE 27 -14.754 2.031 2.031 190 1HD1 ILE 27 2HD1 ILE 27 -16.637 4.685 4.685 191 2HD1 ILE 27 3HD1 ILE 27 -16.331 6.228 6.228 192 3HD1 ILE 27 1HD1 ILE 27 -15.955 6.053 6.053 193 H VAL 28 H VAL 28 -13.078 4.480 4.480 194 HA VAL 28 HA VAL 28 -14.374 3.339 3.339 195 HB VAL 28 HB VAL 28 -12.725 1.542 1.542 196 1HG1 VAL 28 1HG1 VAL 28 -15.018 1.023 1.023 197 2HG1 VAL 28 2HG1 VAL 28 -14.435 1.049 1.049 198 3HG1 VAL 28 3HG1 VAL 28 -13.812 -0.156 -0.156 199 1HG2 VAL 28 1HG2 VAL 28 -10.986 2.250 2.250 200 2HG2 VAL 28 3HG2 VAL 28 -11.476 0.559 0.559 201 3HG2 VAL 28 2HG2 VAL 28 -12.096 1.731 1.731 202 H LYS 29 HN LYS 29 -13.326 4.026 4.026 203 HA LYS 29 HA LYS 29 -10.890 5.702 5.702 204 1HB LYS 29 2HB LYS 29 -12.970 6.992 6.992 205 2HB LYS 29 1HB LYS 29 -13.102 6.038 6.038 206 1HG LYS 29 1HG LYS 29 -10.739 6.825 6.825 207 2HG LYS 29 2HG LYS 29 -10.837 7.916 7.916 208 1HD LYS 29 2HD LYS 29 -12.805 9.022 9.022 209 2HD LYS 29 1HD LYS 29 -12.738 7.896 7.896 210 1HE LYS 29 2HE LYS 29 -10.518 9.845 9.845 211 2HE LYS 29 1HE LYS 29 -11.674 10.089 10.089 212 1HZ LYS 29 1HZ LYS 29 -10.804 8.130 8.130 213 2HZ LYS 29 3HZ LYS 29 -9.702 7.905 7.905 214 3HZ LYS 29 2HZ LYS 29 -9.615 9.242 9.242 215 H GLY 30 H GLY 30 -9.191 5.112 5.112 216 1HA GLY 30 1HA GLY 30 -9.504 3.049 3.049 217 2HA GLY 30 2HA GLY 30 -8.038 3.378 3.378 218 H ALA 31 H ALA 31 -7.303 3.314 3.314 219 HA ALA 31 HA ALA 31 -7.608 5.935 5.935 220 1HB ALA 31 1HB ALA 31 -7.496 3.832 3.832 221 2HB ALA 31 2HB ALA 31 -5.870 3.517 3.517 222 3HB ALA 31 3HB ALA 31 -6.157 4.926 4.926 223 H LYS 32 HN LYS 32 -6.781 6.357 6.357 224 HA LYS 32 HA LYS 32 -4.999 6.484 6.484 225 1HB LYS 32 2HB LYS 32 -6.279 8.561 8.561 226 2HB LYS 32 1HB LYS 32 -4.883 8.976 8.976 227 1HG LYS 32 2HG LYS 32 -4.801 10.199 10.199 228 2HG LYS 32 1HG LYS 32 -3.475 9.034 9.034 229 1HD LYS 32 2HD LYS 32 -4.726 7.564 7.564 230 2HD LYS 32 1HD LYS 32 -6.178 8.571 8.571 231 1HE LYS 32 2HE LYS 32 -5.048 9.050 9.050 232 2HE LYS 32 1HE LYS 32 -4.976 10.470 10.470 233 1HZ LYS 32 2HZ LYS 32 -2.754 9.817 9.817 234 2HZ LYS 32 1HZ LYS 32 -2.828 8.506 8.506 235 3HZ LYS 32 3HZ LYS 32 -2.863 10.041 10.041 236 H THR 33 H THR 33 -3.723 4.700 4.700 237 HA THR 33 HA THR 33 -1.231 5.749 5.749 238 HB THR 33 HB THR 33 -1.661 2.834 2.834 239 HG1 THR 33 HG1 THR 33 -3.333 4.479 4.479 240 1HG2 THR 33 2HG2 THR 33 0.301 3.717 3.717 241 2HG2 THR 33 1HG2 THR 33 -0.782 4.484 4.484 242 3HG2 THR 33 3HG2 THR 33 -0.734 2.715 2.715 243 H GLY 34 H GLY 34 -2.531 4.247 4.247 244 1HA GLY 34 1HA GLY 34 0.130 4.407 4.407 245 2HA GLY 34 2HA GLY 34 -1.122 3.220 3.220 246 HA PRO 35 HA PRO 35 -1.644 7.379 7.379 247 1HB PRO 35 1HB PRO 35 -0.903 6.514 6.514 248 2HB PRO 35 2HB PRO 35 0.215 7.211 7.211 249 1HG PRO 35 1HG PRO 35 -0.337 4.286 4.286 250 2HG PRO 35 2HG PRO 35 1.242 5.125 5.125 251 1HD PRO 35 2HD PRO 35 0.348 3.856 3.856 252 2HD PRO 35 1HD PRO 35 1.018 5.483 5.483 253 H ASN 36 H ASN 36 -2.966 7.709 7.709 254 HA ASN 36 HA ASN 36 -5.443 6.206 6.206 255 1HB ASN 36 2HB ASN 36 -5.681 8.567 8.567 256 2HB ASN 36 1HB ASN 36 -4.467 8.621 8.621 257 1HD2 ASN 36 1HD2 ASN 36 -8.055 6.970 6.970 258 2HD2 ASN 36 2HD2 ASN 36 -7.417 6.475 6.475 259 H LEU 37 H LEU 37 -5.606 4.311 4.311 260 HA LEU 37 HA LEU 37 -3.691 3.800 3.800 261 1HB LEU 37 1HB LEU 37 -5.612 1.914 1.914 262 2HB LEU 37 2HB LEU 37 -4.427 1.461 1.461 263 HG LEU 37 HG LEU 37 -3.836 2.528 2.528 264 1HD1 LEU 37 3HD1 LEU 37 -3.324 -0.148 -0.148 265 2HD1 LEU 37 2HD1 LEU 37 -2.748 0.265 0.265 266 3HD1 LEU 37 1HD1 LEU 37 -4.484 0.159 0.159 267 1HD2 LEU 37 1HD2 LEU 37 -1.949 1.945 1.945 268 2HD2 LEU 37 2HD2 LEU 37 -2.106 3.463 3.463 269 3HD2 LEU 37 3HD2 LEU 37 -1.410 2.034 2.034 270 H TYR 38 H TYR 38 -6.565 5.317 5.317 271 HA TYR 38 HA TYR 38 -8.172 3.903 3.903 272 1HB TYR 38 2HB TYR 38 -8.903 5.985 5.985 273 2HB TYR 38 1HB TYR 38 -7.576 6.870 6.870 274 HD1 TYR 38 HD2 TYR 38 -10.695 4.906 4.906 275 HD2 TYR 38 HD1 TYR 38 -7.751 7.626 7.626 276 HE1 TYR 38 HE2 TYR 38 -11.995 5.100 5.100 277 HE2 TYR 38 HE1 TYR 38 -9.030 7.768 7.768 278 HH TYR 38 HH TYR 38 -11.022 7.240 7.240 279 H GLY 39 H GLY 39 -7.422 2.719 2.719 280 1HA GLY 39 1HA GLY 39 -6.605 2.227 2.227 281 2HA GLY 39 2HA GLY 39 -6.745 3.964 3.964 282 H VAL 40 H VAL 40 -4.721 2.491 2.491 283 HA VAL 40 HA VAL 40 -2.411 3.880 3.880 284 HB VAL 40 HB VAL 40 -2.663 2.931 2.931 285 1HG1 VAL 40 1HG1 VAL 40 -2.454 0.169 0.169 286 2HG1 VAL 40 2HG1 VAL 40 -2.415 0.515 0.515 287 3HG1 VAL 40 3HG1 VAL 40 -3.876 0.849 0.849 288 1HG2 VAL 40 3HG2 VAL 40 -0.356 3.275 3.275 289 2HG2 VAL 40 2HG2 VAL 40 -0.422 2.034 2.034 290 3HG2 VAL 40 1HG2 VAL 40 -0.299 1.557 1.557 291 H VAL 41 H VAL 41 -3.530 0.764 0.764 292 HA VAL 41 HA VAL 41 -1.093 -0.085 -0.085 293 HB VAL 41 HB VAL 41 -4.012 -0.538 -0.538 294 1HG1 VAL 41 3HG1 VAL 41 -1.584 -1.866 -1.866 295 2HG1 VAL 41 2HG1 VAL 41 -3.276 -2.373 -2.373 296 3HG1 VAL 41 1HG1 VAL 41 -2.755 -0.815 -0.815 297 1HG2 VAL 41 1HG2 VAL 41 -3.175 -1.550 -1.550 298 2HG2 VAL 41 3HG2 VAL 41 -3.610 -2.773 -2.773 299 3HG2 VAL 41 2HG2 VAL 41 -1.903 -2.381 -2.381 300 H GLY 42 H GLY 42 0.120 1.041 1.041 301 1HA GLY 42 1HA GLY 42 0.507 1.942 1.942 302 2HA GLY 42 2HA GLY 42 -1.155 2.528 2.528 303 H ARG 43 HN ARG 43 -0.620 3.413 3.413 304 HA ARG 43 HA ARG 43 0.113 6.142 6.142 305 1HB ARG 43 2HB ARG 43 -1.635 5.017 5.017 306 2HB ARG 43 1HB ARG 43 -0.259 5.433 5.433 307 1HG ARG 43 2HG ARG 43 -1.716 7.296 7.296 308 2HG ARG 43 1HG ARG 43 -0.395 7.787 7.787 309 1HD ARG 43 2HD ARG 43 -2.541 8.520 8.520 310 2HD ARG 43 1HD ARG 43 -1.857 7.331 7.331 311 HE ARG 43 HE ARG 43 -3.423 5.726 5.726 312 1HH1 ARG 43 1HH1 ARG 43 -4.226 8.818 8.818 313 2HH1 ARG 43 2HH1 ARG 43 -5.887 8.320 8.320 314 1HH2 ARG 43 2HH2 ARG 43 -5.488 5.162 5.162 315 2HH2 ARG 43 1HH2 ARG 43 -6.643 6.279 6.279 316 H THR 44 H THR 44 1.947 7.254 7.254 317 HA THR 44 HA THR 44 4.343 5.833 5.833 318 HB THR 44 HB THR 44 3.778 8.627 8.627 319 HG1 THR 44 HG1 THR 44 4.187 7.722 7.722 320 1HG2 THR 44 3HG2 THR 44 6.240 7.351 7.351 321 2HG2 THR 44 2HG2 THR 44 6.073 9.066 9.066 322 3HG2 THR 44 1HG2 THR 44 6.085 7.833 7.833 323 H ALA 45 H ALA 45 5.370 4.830 4.830 324 HA ALA 45 HA ALA 45 3.985 4.543 4.543 325 1HB ALA 45 1HB ALA 45 6.812 3.745 3.745 326 2HB ALA 45 3HB ALA 45 5.975 3.215 3.215 327 3HB ALA 45 2HB ALA 45 5.343 2.739 2.739 328 H GLY 46 H GLY 46 4.739 5.103 5.103 329 1HA GLY 46 1HA GLY 46 5.596 6.450 6.450 330 2HA GLY 46 2HA GLY 46 7.028 6.593 6.593 331 H THR 47 H THR 47 3.948 7.819 7.819 332 HA THR 47 HA THR 47 4.451 10.514 10.514 333 HB THR 47 HB THR 47 6.057 10.355 10.355 334 HG1 THR 47 HG1 THR 47 3.830 12.053 12.053 335 1HG2 THR 47 1HG2 THR 47 4.839 8.767 8.767 336 2HG2 THR 47 2HG2 THR 47 3.609 10.006 10.006 337 3HG2 THR 47 3HG2 THR 47 5.287 10.256 10.256 338 H TYR 48 H TYR 48 2.170 8.465 8.465 339 HA TYR 48 HA TYR 48 0.083 9.786 9.786 340 1HB TYR 48 2HB TYR 48 0.205 7.341 7.341 341 2HB TYR 48 1HB TYR 48 -0.525 8.146 8.146 342 HD1 TYR 48 HD2 TYR 48 -2.563 9.815 9.815 343 HD2 TYR 48 HD1 TYR 48 -1.265 6.358 6.358 344 HE1 TYR 48 HE2 TYR 48 -4.664 9.860 9.860 345 HE2 TYR 48 HE1 TYR 48 -3.462 6.276 6.276 346 HH TYR 48 HH TYR 48 -5.542 7.237 7.237 347 HA PRO 49 HA PRO 49 0.515 13.204 13.204 348 1HB PRO 49 1HB PRO 49 -2.380 13.831 13.831 349 2HB PRO 49 2HB PRO 49 -0.987 14.935 14.935 350 1HG PRO 49 2HG PRO 49 -2.075 13.979 13.979 351 2HG PRO 49 1HG PRO 49 -0.305 14.117 14.117 352 1HD PRO 49 1HD PRO 49 -2.005 11.646 11.646 353 2HD PRO 49 2HD PRO 49 -0.382 11.879 11.879 354 H GLU 50 HN GLU 50 -0.566 14.378 14.378 355 HA GLU 50 HA GLU 50 -0.821 14.307 14.307 356 1HB GLU 50 1HB GLU 50 -3.167 14.331 14.331 357 2HB GLU 50 2HB GLU 50 -3.273 12.618 12.618 358 1HG GLU 50 1HG GLU 50 -2.931 13.267 13.267 359 2HG GLU 50 2HG GLU 50 -2.845 14.964 14.964 360 H PHE 51 H PHE 51 1.194 12.690 12.690 361 HA PHE 51 HA PHE 51 0.906 10.957 10.957 362 1HB PHE 51 2HB PHE 51 -0.082 9.552 9.552 363 2HB PHE 51 1HB PHE 51 1.545 9.506 9.506 364 HD1 PHE 51 HD2 PHE 51 -0.552 8.757 8.757 365 HD2 PHE 51 HD1 PHE 51 3.299 8.177 8.177 366 HE1 PHE 51 HE2 PHE 51 0.046 7.151 7.151 367 HE2 PHE 51 HE1 PHE 51 3.896 6.560 6.560 368 HZ PHE 51 HZ PHE 51 2.209 5.948 5.948 369 H LYS 52 HN LYS 52 2.731 11.093 11.093 370 HA LYS 52 HA LYS 52 5.228 11.963 11.963 371 1HB LYS 52 1HB LYS 52 4.600 12.936 12.936 372 2HB LYS 52 2HB LYS 52 4.474 11.342 11.342 373 1HG LYS 52 1HG LYS 52 6.544 12.522 12.522 374 2HG LYS 52 2HG LYS 52 6.845 10.967 10.967 375 1HD LYS 52 1HD LYS 52 8.441 12.645 12.645 376 2HD LYS 52 2HD LYS 52 7.483 12.066 12.066 377 1HE LYS 52 1HE LYS 52 6.070 14.127 14.127 378 2HE LYS 52 2HE LYS 52 6.979 14.664 14.664 379 1HZ LYS 52 2HZ LYS 52 8.933 14.752 14.752 380 2HZ LYS 52 3HZ LYS 52 8.087 14.242 14.242 381 3HZ LYS 52 1HZ LYS 52 7.742 15.699 15.699 382 H TYR 53 H TYR 53 6.048 10.322 10.322 383 HA TYR 53 HA TYR 53 6.151 7.535 7.535 384 1HB TYR 53 2HB TYR 53 7.379 8.875 8.875 385 2HB TYR 53 1HB TYR 53 7.187 7.159 7.159 386 HD1 TYR 53 HD1 TYR 53 5.166 5.947 5.947 387 HD2 TYR 53 HD2 TYR 53 5.384 10.207 10.207 388 HE1 TYR 53 HE1 TYR 53 3.049 5.872 5.872 389 HE2 TYR 53 HE2 TYR 53 3.192 10.142 10.142 390 HH TYR 53 HH TYR 53 1.332 8.818 8.818 391 H LYS 54 HN LYS 54 8.427 6.610 6.610 392 HA LYS 54 HA LYS 54 10.615 7.737 7.737 393 1HB LYS 54 2HB LYS 54 10.692 5.052 5.052 394 2HB LYS 54 1HB LYS 54 11.574 5.596 5.596 395 1HG LYS 54 1HG LYS 54 8.556 5.134 5.134 396 2HG LYS 54 2HG LYS 54 9.727 3.912 3.912 397 1HD LYS 54 2HD LYS 54 9.482 6.639 6.639 398 2HD LYS 54 1HD LYS 54 8.669 5.176 5.176 399 1HE LYS 54 2HE LYS 54 11.699 5.554 5.554 400 2HE LYS 54 1HE LYS 54 10.698 5.579 5.579 401 1HZ LYS 54 1HZ LYS 54 10.084 3.303 3.303 402 2HZ LYS 54 3HZ LYS 54 11.084 3.260 3.260 403 3HZ LYS 54 2HZ LYS 54 11.710 3.474 3.474 404 H ASP 55 HN ASP 55 12.744 7.177 7.177 405 HA ASP 55 HA ASP 55 13.205 8.723 8.723 406 1HB ASP 55 1HB ASP 55 15.105 6.684 6.684 407 2HB ASP 55 2HB ASP 55 15.534 8.107 8.107 408 H SER 56 H SER 56 13.059 5.178 5.178 409 HA SER 56 HA SER 56 14.323 4.679 4.679 410 1HB SER 56 2HB SER 56 14.580 3.140 3.140 411 2HB SER 56 1HB SER 56 12.827 2.837 2.837 412 HG SER 56 HG SER 56 13.107 2.157 2.157 413 H ILE 57 H ILE 57 10.980 4.586 4.586 414 HA ILE 57 HA ILE 57 9.931 3.614 3.614 415 HB ILE 57 HB ILE 57 9.101 3.313 3.313 416 1HG1 ILE 57 1HG1 ILE 57 6.985 4.007 4.007 417 2HG1 ILE 57 2HG1 ILE 57 7.983 2.546 2.546 418 1HG2 ILE 57 1HG2 ILE 57 8.955 5.662 5.662 419 2HG2 ILE 57 3HG2 ILE 57 7.658 5.922 5.922 420 3HG2 ILE 57 2HG2 ILE 57 7.410 4.844 4.844 421 1HD1 ILE 57 3HD1 ILE 57 7.164 1.881 1.881 422 2HD1 ILE 57 1HD1 ILE 57 6.029 3.249 3.249 423 3HD1 ILE 57 2HD1 ILE 57 5.905 1.957 1.957 424 H VAL 58 H VAL 58 10.387 6.849 6.849 425 HA VAL 58 HA VAL 58 9.251 8.347 8.347 426 HB VAL 58 HB VAL 58 11.475 8.927 8.927 427 1HG1 VAL 58 3HG2 VAL 58 10.262 10.816 10.816 428 2HG1 VAL 58 2HG2 VAL 58 11.219 11.330 11.330 429 3HG1 VAL 58 1HG2 VAL 58 11.973 10.352 10.352 430 1HG2 VAL 58 1HG1 VAL 58 9.041 8.701 8.701 431 2HG2 VAL 58 3HG1 VAL 58 9.774 10.279 10.279 432 3HG2 VAL 58 2HG1 VAL 58 8.663 10.091 10.091 433 H ALA 59 H ALA 59 12.615 7.095 7.095 434 HA ALA 59 HA ALA 59 13.692 8.026 8.026 435 1HB ALA 59 3HB ALA 59 15.030 7.008 7.008 436 2HB ALA 59 2HB ALA 59 14.400 5.403 5.403 437 3HB ALA 59 1HB ALA 59 15.389 6.304 6.304 438 H LEU 60 H LEU 60 11.848 4.870 4.870 439 HA LEU 60 HA LEU 60 12.116 3.970 3.970 440 1HB LEU 60 2HB LEU 60 9.940 3.736 3.736 441 2HB LEU 60 1HB LEU 60 9.848 2.985 2.985 442 HG LEU 60 HG LEU 60 11.859 2.327 2.327 443 1HD1 LEU 60 3HD1 LEU 60 9.569 1.533 1.533 444 2HD1 LEU 60 1HD1 LEU 60 9.555 0.796 0.796 445 3HD1 LEU 60 2HD1 LEU 60 10.661 0.178 0.178 446 1HD2 LEU 60 1HD2 LEU 60 11.598 1.165 1.165 447 2HD2 LEU 60 2HD2 LEU 60 13.020 1.996 1.996 448 3HD2 LEU 60 3HD2 LEU 60 12.524 0.430 0.430 449 H GLY 61 H GLY 61 9.662 6.114 6.114 450 1HA GLY 61 1HA GLY 61 8.039 6.645 6.645 451 2HA GLY 61 2HA GLY 61 8.379 7.787 7.787 452 H ALA 62 H ALA 62 10.919 8.476 8.476 453 HA ALA 62 HA ALA 62 11.014 10.389 10.389 454 1HB ALA 62 2HB ALA 62 12.266 10.564 10.564 455 2HB ALA 62 3HB ALA 62 13.321 9.226 9.226 456 3HB ALA 62 1HB ALA 62 13.329 10.755 10.755 457 H SER 63 H SER 63 12.396 7.108 7.108 458 HA SER 63 HA SER 63 13.763 7.229 7.229 459 1HB SER 63 2HB SER 63 14.331 5.681 5.681 460 2HB SER 63 1HB SER 63 12.838 4.782 4.782 461 HG SER 63 HG SER 63 13.697 4.614 4.614 462 H GLY 64 H GLY 64 10.467 7.458 7.458 463 1HA GLY 64 1HA GLY 64 8.829 7.408 7.408 464 2HA GLY 64 2HA GLY 64 9.931 6.658 6.658 465 H PHE 65 H PHE 65 9.540 5.223 5.223 466 HA PHE 65 HA PHE 65 8.617 2.748 2.748 467 1HB PHE 65 1HB PHE 65 10.031 2.989 2.989 468 2HB PHE 65 2HB PHE 65 8.634 3.656 3.656 469 HD1 PHE 65 HD1 PHE 65 6.484 2.172 2.172 470 HD2 PHE 65 HD2 PHE 65 10.374 0.608 0.608 471 HE1 PHE 65 HE1 PHE 65 6.029 0.183 0.183 472 HE2 PHE 65 HE2 PHE 65 9.869 -1.434 -1.434 473 HZ PHE 65 HZ PHE 65 7.749 -1.551 -1.551 474 H ALA 66 H ALA 66 6.607 2.633 2.633 475 HA ALA 66 HA ALA 66 4.254 3.874 3.874 476 1HB ALA 66 3HB ALA 66 4.590 2.504 2.504 477 2HB ALA 66 1HB ALA 66 3.074 3.159 3.159 478 3HB ALA 66 2HB ALA 66 4.424 4.253 4.253 479 H TRP 67 H TRP 67 3.012 2.444 2.444 480 HA TRP 67 HA TRP 67 4.015 -0.157 -0.157 481 1HB TRP 67 1HB TRP 67 1.567 1.565 1.565 482 2HB TRP 67 2HB TRP 67 1.503 -0.115 -0.115 483 HD1 TRP 67 HD1 TRP 67 2.175 2.900 2.900 484 HE1 TRP 67 HE1 TRP 67 3.411 2.512 2.512 485 HE3 TRP 67 HE3 TRP 67 3.666 -1.935 -1.935 486 HZ2 TRP 67 HZ2 TRP 67 5.043 0.441 0.441 487 HZ3 TRP 67 HZ3 TRP 67 5.068 -3.088 -3.088 488 HH2 TRP 67 HH2 TRP 67 5.810 -1.898 -1.898 489 H THR 68 H THR 68 2.891 -2.111 -2.111 490 HA THR 68 HA THR 68 0.995 -2.144 -2.144 491 HB THR 68 HB THR 68 2.163 -4.039 -4.039 492 HG1 THR 68 HG1 THR 68 4.416 -3.627 -3.627 493 1HG2 THR 68 1HG2 THR 68 2.811 -1.790 -1.790 494 2HG2 THR 68 2HG2 THR 68 4.149 -1.766 -1.766 495 3HG2 THR 68 3HG2 THR 68 4.128 -2.979 -2.979 496 H GLU 69 HN GLU 69 -0.011 -4.334 -4.334 497 HA GLU 69 HA GLU 69 -1.126 -5.132 -5.132 498 1HB GLU 69 1HB GLU 69 -0.785 -7.039 -7.039 499 2HB GLU 69 2HB GLU 69 -2.090 -6.950 -6.950 500 1HG GLU 69 2HG GLU 69 -2.432 -4.548 -4.548 501 2HG GLU 69 1HG GLU 69 -1.500 -5.097 -5.097 502 H GLU 70 HN GLU 70 1.599 -6.378 -6.378 503 HA GLU 70 HA GLU 70 2.059 -8.717 -8.717 504 1HB GLU 70 1HB GLU 70 4.144 -8.994 -8.994 505 2HB GLU 70 2HB GLU 70 2.735 -8.787 -8.787 506 1HG GLU 70 2HG GLU 70 3.387 -6.453 -6.453 507 2HG GLU 70 1HG GLU 70 4.821 -6.638 -6.638 508 H ASP 71 HN ASP 71 3.653 -5.497 -5.497 509 HA ASP 71 HA ASP 71 5.534 -5.967 -5.967 510 1HB ASP 71 1HB ASP 71 4.184 -3.407 -3.407 511 2HB ASP 71 2HB ASP 71 5.541 -3.458 -3.458 512 H ILE 72 H ILE 72 2.213 -4.512 -4.512 513 HA ILE 72 HA ILE 72 2.340 -4.199 -4.199 514 HB ILE 72 HB ILE 72 -0.049 -4.508 -4.508 515 1HG1 ILE 72 1HG1 ILE 72 1.422 -2.164 -2.164 516 2HG1 ILE 72 2HG1 ILE 72 1.278 -2.512 -2.512 517 1HG2 ILE 72 3HG2 ILE 72 0.022 -3.694 -3.694 518 2HG2 ILE 72 1HG2 ILE 72 -1.407 -3.654 -3.654 519 3HG2 ILE 72 2HG2 ILE 72 -0.691 -5.191 -5.191 520 1HD1 ILE 72 2HD1 ILE 72 -1.248 -2.211 -2.211 521 2HD1 ILE 72 1HD1 ILE 72 -0.873 -1.503 -1.503 522 3HD1 ILE 72 3HD1 ILE 72 -0.236 -0.758 -0.758 523 H ALA 73 H ALA 73 0.993 -6.886 -6.886 524 HA ALA 73 HA ALA 73 0.081 -8.515 -8.515 525 1HB ALA 73 2HB ALA 73 1.380 -9.360 -9.360 526 2HB ALA 73 1HB ALA 73 0.408 -10.403 -10.403 527 3HB ALA 73 3HB ALA 73 -0.344 -9.006 -9.006 528 H THR 74 H THR 74 3.431 -8.152 -8.152 529 HA THR 74 HA THR 74 4.449 -10.235 -10.235 530 HB THR 74 HB THR 74 6.025 -7.992 -7.992 531 HG1 THR 74 HG1 THR 74 4.791 -9.052 -9.052 532 1HG2 THR 74 2HG2 THR 74 6.695 -10.850 -10.850 533 2HG2 THR 74 3HG2 THR 74 7.792 -9.783 -9.783 534 3HG2 THR 74 1HG2 THR 74 7.282 -9.362 -9.362 535 H TYR 75 H TYR 75 4.712 -6.641 -6.641 536 HA TYR 75 HA TYR 75 6.007 -6.234 -6.234 537 1HB TYR 75 1HB TYR 75 5.509 -4.460 -4.460 538 2HB TYR 75 2HB TYR 75 3.778 -4.642 -4.642 539 HD1 TYR 75 HD1 TYR 75 6.954 -3.746 -3.746 540 HD2 TYR 75 HD2 TYR 75 2.656 -3.427 -3.427 541 HE1 TYR 75 HE1 TYR 75 7.023 -2.091 -2.091 542 HE2 TYR 75 HE2 TYR 75 2.730 -1.864 -1.864 543 HH TYR 75 HH TYR 75 4.032 -0.928 -0.928 544 H VAL 76 H VAL 76 2.413 -6.662 -6.662 545 HA VAL 76 HA VAL 76 1.893 -6.161 -6.161 546 HB VAL 76 HB VAL 76 -0.050 -7.660 -7.660 547 1HG1 VAL 76 1HG1 VAL 76 -0.205 -5.284 -5.284 548 2HG1 VAL 76 2HG1 VAL 76 0.303 -5.638 -5.638 549 3HG1 VAL 76 3HG1 VAL 76 -1.244 -6.260 -6.260 550 1HG2 VAL 76 3HG2 VAL 76 0.769 -9.355 -9.355 551 2HG2 VAL 76 1HG2 VAL 76 -0.744 -8.604 -8.604 552 3HG2 VAL 76 2HG2 VAL 76 0.777 -8.123 -8.123 553 H LYS 77 HN LYS 77 3.195 -9.117 -9.117 554 HA LYS 77 HA LYS 77 3.216 -10.413 -10.413 555 1HB LYS 77 2HB LYS 77 3.680 -12.485 -12.485 556 2HB LYS 77 1HB LYS 77 2.144 -11.767 -11.767 557 1HG LYS 77 2HG LYS 77 3.052 -10.996 -10.996 558 2HG LYS 77 1HG LYS 77 4.693 -11.443 -11.443 559 1HD LYS 77 1HD LYS 77 3.965 -13.848 -13.848 560 2HD LYS 77 2HD LYS 77 2.359 -13.344 -13.344 561 1HE LYS 77 2HE LYS 77 3.618 -14.156 -14.156 562 2HE LYS 77 1HE LYS 77 3.398 -12.408 -12.408 563 1HZ LYS 77 1HZ LYS 77 5.656 -12.147 -12.147 564 2HZ LYS 77 3HZ LYS 77 5.817 -13.777 -13.777 565 3HZ LYS 77 2HZ LYS 77 5.631 -13.070 -13.070 566 H ASP 78 HN ASP 78 5.142 -8.357 -8.357 567 HA ASP 78 HA ASP 78 7.660 -9.402 -9.402 568 1HB ASP 78 1HB ASP 78 7.232 -8.673 -8.673 569 2HB ASP 78 2HB ASP 78 8.815 -8.860 -8.860 570 HA PRO 79 HA PRO 79 6.819 -4.746 -4.746 571 1HB PRO 79 2HB PRO 79 6.855 -4.482 -4.482 572 2HB PRO 79 1HB PRO 79 5.388 -4.811 -4.811 573 1HG PRO 79 1HG PRO 79 7.235 -6.798 -6.798 574 2HG PRO 79 2HG PRO 79 5.473 -6.641 -6.641 575 1HD PRO 79 2HD PRO 79 6.547 -8.471 -8.471 576 2HD PRO 79 1HD PRO 79 5.123 -7.520 -7.520 577 H GLY 80 H GLY 80 8.563 -3.427 -3.427 578 1HA GLY 80 1HA GLY 80 10.741 -2.691 -2.691 579 2HA GLY 80 2HA GLY 80 10.947 -3.967 -3.967 580 H ALA 81 H ALA 81 10.791 -6.276 -6.276 581 HA ALA 81 HA ALA 81 13.077 -6.848 -6.848 582 1HB ALA 81 2HB ALA 81 10.396 -8.277 -8.277 583 2HB ALA 81 1HB ALA 81 11.934 -8.966 -8.966 584 3HB ALA 81 3HB ALA 81 11.721 -8.546 -8.546 585 H PHE 82 H PHE 82 9.834 -6.171 -6.171 586 HA PHE 82 HA PHE 82 10.789 -6.503 -6.503 587 1HB PHE 82 2HB PHE 82 8.328 -6.141 -6.141 588 2HB PHE 82 1HB PHE 82 8.681 -4.434 -4.434 589 HD1 PHE 82 HD2 PHE 82 9.065 -7.720 -7.720 590 HD2 PHE 82 HD1 PHE 82 8.277 -3.498 -3.498 591 HE1 PHE 82 HE2 PHE 82 8.681 -8.026 -8.026 592 HE2 PHE 82 HE1 PHE 82 7.869 -3.836 -3.836 593 HZ PHE 82 HZ PHE 82 8.029 -6.109 -6.109 594 H LEU 83 H LEU 83 10.927 -3.597 -3.597 595 HA LEU 83 HA LEU 83 11.633 -1.708 -1.708 596 1HB LEU 83 2HB LEU 83 12.253 -1.652 -1.652 597 2HB LEU 83 1HB LEU 83 12.127 -0.345 -0.345 598 HG LEU 83 HG LEU 83 9.884 -1.988 -1.988 599 1HD1 LEU 83 3HD1 LEU 83 10.624 0.981 0.981 600 2HD1 LEU 83 2HD1 LEU 83 9.159 0.313 0.313 601 3HD1 LEU 83 1HD1 LEU 83 10.755 -0.136 -0.136 602 1HD2 LEU 83 3HD2 LEU 83 9.775 0.031 0.031 603 2HD2 LEU 83 2HD2 LEU 83 9.354 -1.694 -1.694 604 3HD2 LEU 83 1HD2 LEU 83 8.357 -0.616 -0.616 605 H LYS 84 HN LYS 84 13.271 -3.533 -3.533 606 HA LYS 84 HA LYS 84 15.976 -2.838 -2.838 607 1HB LYS 84 2HB LYS 84 14.841 -5.488 -5.488 608 2HB LYS 84 1HB LYS 84 16.554 -5.038 -5.038 609 1HG LYS 84 1HG LYS 84 16.130 -3.214 -3.214 610 2HG LYS 84 2HG LYS 84 14.387 -3.366 -3.366 611 1HD LYS 84 1HD LYS 84 15.033 -4.270 -4.270 612 2HD LYS 84 2HD LYS 84 14.342 -5.512 -5.512 613 1HE LYS 84 1HE LYS 84 16.334 -6.321 -6.321 614 2HE LYS 84 2HE LYS 84 16.590 -6.412 -6.412 615 1HZ LYS 84 2HZ LYS 84 17.551 -4.238 -4.238 616 2HZ LYS 84 1HZ LYS 84 18.467 -5.490 -5.490 617 3HZ LYS 84 3HZ LYS 84 17.829 -4.390 -4.390 618 H GLU 85 HN GLU 85 14.153 -5.630 -5.630 619 HA GLU 85 HA GLU 85 16.128 -6.567 -6.567 620 1HB GLU 85 1HB GLU 85 14.026 -7.747 -7.747 621 2HB GLU 85 2HB GLU 85 13.096 -6.583 -6.583 622 1HG GLU 85 2HG GLU 85 13.401 -8.654 -8.654 623 2HG GLU 85 1HG GLU 85 14.228 -7.329 -7.329 624 H LYS 86 HN LYS 86 13.481 -4.226 -4.226 625 HA LYS 86 HA LYS 86 14.357 -3.888 -3.888 626 1HB LYS 86 2HB LYS 86 12.524 -2.305 -2.305 627 2HB LYS 86 1HB LYS 86 12.801 -1.833 -1.833 628 1HG LYS 86 1HG LYS 86 11.888 -4.644 -4.644 629 2HG LYS 86 2HG LYS 86 10.749 -3.322 -3.322 630 1HD LYS 86 1HD LYS 86 11.644 -2.905 -2.905 631 2HD LYS 86 2HD LYS 86 12.748 -4.272 -4.272 632 1HE LYS 86 2HE LYS 86 9.704 -4.433 -4.433 633 2HE LYS 86 1HE LYS 86 10.738 -4.862 -4.862 634 1HZ LYS 86 1HZ LYS 86 11.766 -6.537 -6.537 635 2HZ LYS 86 2HZ LYS 86 10.755 -6.173 -6.173 636 3HZ LYS 86 3HZ LYS 86 10.144 -6.785 -6.785 637 H LEU 87 H LEU 87 14.862 -1.761 -1.761 638 HA LEU 87 HA LEU 87 16.366 0.110 0.110 639 1HB LEU 87 1HB LEU 87 14.775 0.770 0.770 640 2HB LEU 87 2HB LEU 87 15.890 0.055 0.055 641 HG LEU 87 HG LEU 87 17.623 1.728 1.728 642 1HD1 LEU 87 3HD2 LEU 87 15.434 2.842 2.842 643 2HD1 LEU 87 2HD2 LEU 87 16.918 3.706 3.706 644 3HD1 LEU 87 1HD2 LEU 87 17.025 2.232 2.232 645 1HD2 LEU 87 1HD1 LEU 87 16.098 2.183 2.183 646 2HD2 LEU 87 2HD1 LEU 87 16.517 3.677 3.677 647 3HD2 LEU 87 3HD1 LEU 87 14.930 2.923 2.923 648 H ASP 88 HN ASP 88 17.169 -2.656 -2.656 649 HA ASP 88 HA ASP 88 19.078 -3.615 -3.615 650 1HB ASP 88 1HB ASP 88 19.632 -3.538 -3.538 651 2HB ASP 88 2HB ASP 88 20.305 -1.914 -1.914 652 H ASP 89 HN ASP 89 18.230 -1.958 -1.958 653 HA ASP 89 HA ASP 89 20.608 -0.502 -0.502 654 1HB ASP 89 2HB ASP 89 19.242 1.248 1.248 655 2HB ASP 89 1HB ASP 89 17.781 0.523 0.523 656 H LYS 90 HN LYS 90 21.045 -1.037 -1.037 657 HA LYS 90 HA LYS 90 19.689 -3.067 -3.067 658 1HB LYS 90 2HB LYS 90 22.095 -2.633 -2.633 659 2HB LYS 90 1HB LYS 90 21.787 -1.007 -1.007 660 1HG LYS 90 1HG LYS 90 22.470 -2.507 -2.507 661 2HG LYS 90 2HG LYS 90 20.828 -1.929 -1.929 662 1HD LYS 90 1HD LYS 90 19.885 -4.049 -4.049 663 2HD LYS 90 2HD LYS 90 21.497 -4.644 -4.644 664 1HE LYS 90 2HE LYS 90 20.556 -3.931 -3.931 665 2HE LYS 90 1HE LYS 90 20.633 -5.567 -5.567 666 1HZ LYS 90 1HZ LYS 90 22.990 -5.287 -5.287 667 2HZ LYS 90 3HZ LYS 90 22.928 -3.784 -3.784 668 3HZ LYS 90 2HZ LYS 90 22.541 -5.106 -5.106 669 H LYS 91 HN LYS 91 19.549 0.497 0.497 670 HA LYS 91 HA LYS 91 17.939 0.537 0.537 671 1HB LYS 91 1HB LYS 91 18.776 2.852 2.852 672 2HB LYS 91 2HB LYS 91 18.197 2.942 2.942 673 1HG LYS 91 2HG LYS 91 20.846 1.768 1.768 674 2HG LYS 91 1HG LYS 91 20.596 3.293 3.293 675 1HD LYS 91 2HD LYS 91 19.654 2.022 2.022 676 2HD LYS 91 1HD LYS 91 20.081 0.506 0.506 677 1HE LYS 91 2HE LYS 91 22.033 2.710 2.710 678 2HE LYS 91 1HE LYS 91 21.789 1.172 1.172 679 1HZ LYS 91 2HZ LYS 91 22.521 0.044 0.044 680 2HZ LYS 91 3HZ LYS 91 22.784 1.482 1.482 681 3HZ LYS 91 1HZ LYS 91 23.676 1.077 1.077 682 H ALA 92 H ALA 92 16.983 -0.470 -0.470 683 HA ALA 92 HA ALA 92 14.691 1.289 1.289 684 1HB ALA 92 1HB ALA 92 15.777 0.203 0.203 685 2HB ALA 92 2HB ALA 92 15.396 -1.386 -1.386 686 3HB ALA 92 3HB ALA 92 14.096 -0.321 -0.321 687 H LYS 93 HN LYS 93 14.225 1.090 1.090 688 HA LYS 93 HA LYS 93 12.616 -1.318 -1.318 689 1HB LYS 93 1HB LYS 93 13.752 0.942 0.942 690 2HB LYS 93 2HB LYS 93 12.812 -0.440 -0.440 691 1HG LYS 93 1HG LYS 93 14.533 -1.997 -1.997 692 2HG LYS 93 2HG LYS 93 15.491 -0.611 -0.611 693 1HD LYS 93 2HD LYS 93 15.733 0.184 0.184 694 2HD LYS 93 1HD LYS 93 14.700 -1.135 -1.135 695 1HE LYS 93 1HE LYS 93 17.028 -1.707 -1.707 696 2HE LYS 93 2HE LYS 93 16.352 -2.807 -2.807 697 1HZ LYS 93 1HZ LYS 93 17.994 -0.440 -0.440 698 2HZ LYS 93 2HZ LYS 93 18.541 -1.993 -1.993 699 3HZ LYS 93 3HZ LYS 93 17.452 -1.539 -1.539 700 H THR 94 H THR 94 10.535 -1.129 -1.129 701 HA THR 94 HA THR 94 9.203 1.370 1.370 702 HB THR 94 HB THR 94 8.461 -0.710 -0.710 703 HG1 THR 94 HG1 THR 94 6.286 -0.350 -0.350 704 1HG2 THR 94 2HG2 THR 94 8.871 -2.329 -2.329 705 2HG2 THR 94 3HG2 THR 94 7.497 -1.634 -1.634 706 3HG2 THR 94 1HG2 THR 94 7.240 -2.426 -2.426 707 H GLY 95 H GLY 95 7.427 2.240 2.240 708 1HA GLY 95 1HA GLY 95 7.686 2.196 2.196 709 2HA GLY 95 2HA GLY 95 6.463 3.047 3.047 710 H MET 96 H MET 96 5.974 0.385 0.385 711 HA MET 96 HA MET 96 3.722 -0.370 -0.370 712 1HB MET 96 1HB MET 96 3.970 -0.293 -0.293 713 2HB MET 96 2HB MET 96 4.907 -1.792 -1.792 714 1HG MET 96 2HG MET 96 2.948 -2.938 -2.938 715 2HG MET 96 1HG MET 96 2.177 -1.513 -1.513 716 1HE MET 96 2HE MET 96 2.990 -4.202 -4.202 717 2HE MET 96 1HE MET 96 1.292 -4.381 -4.381 718 3HE MET 96 3HE MET 96 1.677 -3.923 -3.923 719 H ALA 97 H ALA 97 4.807 -0.962 -0.962 720 HA ALA 97 HA ALA 97 6.115 -3.546 -3.546 721 1HB ALA 97 1HB ALA 97 6.474 -1.744 -1.744 722 2HB ALA 97 2HB ALA 97 4.767 -1.829 -1.829 723 3HB ALA 97 3HB ALA 97 5.850 -3.208 -3.208 724 H PHE 98 H PHE 98 4.160 -4.253 -4.253 725 HA PHE 98 HA PHE 98 2.522 -6.126 -6.126 726 1HB PHE 98 1HB PHE 98 1.007 -4.280 -4.280 727 2HB PHE 98 2HB PHE 98 1.334 -3.662 -3.662 728 HD1 PHE 98 HD2 PHE 98 -0.492 -6.295 -6.295 729 HD2 PHE 98 HD1 PHE 98 0.288 -4.579 -4.579 730 HE1 PHE 98 HE2 PHE 98 -2.258 -7.721 -7.721 731 HE2 PHE 98 HE1 PHE 98 -1.409 -6.078 -6.078 732 HZ PHE 98 HZ PHE 98 -2.712 -7.629 -7.629 733 H LYS 99 HN LYS 99 1.695 -7.712 -7.712 734 HA LYS 99 HA LYS 99 2.074 -7.357 -7.357 735 1HB LYS 99 1HB LYS 99 3.219 -9.549 -9.549 736 2HB LYS 99 2HB LYS 99 4.195 -8.306 -8.306 737 1HG LYS 99 2HG LYS 99 3.899 -9.314 -9.314 738 2HG LYS 99 1HG LYS 99 2.829 -10.555 -10.555 739 1HD LYS 99 2HD LYS 99 4.690 -11.274 -11.274 740 2HD LYS 99 1HD LYS 99 5.761 -10.096 -10.096 741 1HE LYS 99 2HE LYS 99 4.396 -12.448 -12.448 742 2HE LYS 99 1HE LYS 99 6.089 -12.389 -12.389 743 1HZ LYS 99 1HZ LYS 99 6.414 -10.543 -10.543 744 2HZ LYS 99 3HZ LYS 99 4.847 -10.627 -10.627 745 3HZ LYS 99 2HZ LYS 99 5.878 -11.874 -11.874 746 H LEU 100 H LEU 100 1.168 -9.192 -9.192 747 HA LEU 100 HA LEU 100 -1.192 -10.376 -10.376 748 1HB LEU 100 1HB LEU 100 -1.725 -8.569 -8.569 749 2HB LEU 100 2HB LEU 100 -0.814 -9.426 -9.426 750 HG LEU 100 HG LEU 100 -2.348 -11.399 -11.399 751 1HD1 LEU 100 2HD2 LEU 100 -3.876 -9.461 -9.461 752 2HD1 LEU 100 1HD2 LEU 100 -4.605 -10.907 -10.907 753 3HD1 LEU 100 3HD2 LEU 100 -3.286 -11.079 -11.079 754 1HD2 LEU 100 2HD1 LEU 100 -3.608 -8.771 -8.771 755 2HD2 LEU 100 1HD1 LEU 100 -2.604 -9.827 -9.827 756 3HD2 LEU 100 3HD1 LEU 100 -4.189 -10.390 -10.390 757 H ALA 101 H ALA 101 -0.786 -12.526 -12.526 758 HA ALA 101 HA ALA 101 1.233 -13.851 -13.851 759 1HB ALA 101 2HB ALA 101 1.119 -14.220 -14.220 760 2HB ALA 101 1HB ALA 101 -0.540 -14.846 -14.846 761 3HB ALA 101 3HB ALA 101 0.823 -15.728 -15.728 762 H LYS 102 HN LYS 102 -0.406 -13.023 -13.023 763 HA LYS 102 HA LYS 102 -1.913 -15.394 -15.394 764 1HB LYS 102 1HB LYS 102 -2.962 -12.552 -12.552 765 2HB LYS 102 2HB LYS 102 -3.727 -14.000 -14.000 766 1HG LYS 102 2HG LYS 102 -3.302 -13.477 -13.477 767 2HG LYS 102 1HG LYS 102 -4.789 -13.123 -13.123 768 1HD LYS 102 1HD LYS 102 -5.185 -15.439 -15.439 769 2HD LYS 102 2HD LYS 102 -3.600 -15.935 -15.935 770 1HE LYS 102 1HE LYS 102 -5.804 -14.743 -14.743 771 2HE LYS 102 2HE LYS 102 -5.394 -16.462 -16.462 772 1HZ LYS 102 3HZ LYS 102 -3.149 -15.866 -15.866 773 2HZ LYS 102 2HZ LYS 102 -3.673 -14.342 -14.342 774 3HZ LYS 102 1HZ LYS 102 -4.319 -15.615 -15.615 775 H GLY 103 H GLY 103 -2.317 -15.204 -15.204 776 1HA GLY 103 1HA GLY 103 0.129 -14.834 -14.834 777 2HA GLY 103 2HA GLY 103 -1.463 -15.046 -15.046 778 H GLY 104 H GLY 104 -2.203 -12.435 -12.435 779 1HA GLY 104 1HA GLY 104 -2.270 -10.200 -10.200 780 2HA GLY 104 2HA GLY 104 -0.767 -10.343 -10.343 781 H GLU 105 HN GLU 105 -1.699 -12.023 -12.023 782 HA GLU 105 HA GLU 105 -2.464 -10.407 -10.407 783 1HB GLU 105 2HB GLU 105 -3.277 -12.376 -12.376 784 2HB GLU 105 1HB GLU 105 -1.764 -12.669 -12.669 785 1HG GLU 105 2HG GLU 105 -3.089 -13.804 -13.804 786 2HG GLU 105 1HG GLU 105 -4.541 -13.622 -13.622 787 H ASP 106 HN ASP 106 -4.841 -11.918 -11.918 788 HA ASP 106 HA ASP 106 -7.195 -11.119 -11.119 789 1HB ASP 106 1HB ASP 106 -8.335 -11.708 -11.708 790 2HB ASP 106 2HB ASP 106 -7.205 -12.972 -12.972 791 H VAL 107 H VAL 107 -5.277 -9.704 -9.704 792 HA VAL 107 HA VAL 107 -7.054 -7.479 -7.479 793 HB VAL 107 HB VAL 107 -4.067 -7.684 -7.684 794 1HG1 VAL 107 1HG2 VAL 107 -6.378 -6.295 -6.295 795 2HG1 VAL 107 3HG2 VAL 107 -4.684 -6.330 -6.330 796 3HG1 VAL 107 2HG2 VAL 107 -5.116 -5.500 -5.500 797 1HG2 VAL 107 1HG1 VAL 107 -6.398 -8.903 -8.903 798 2HG2 VAL 107 3HG1 VAL 107 -4.989 -9.761 -9.761 799 3HG2 VAL 107 2HG1 VAL 107 -4.773 -8.647 -8.647 800 H ALA 108 H ALA 108 -4.063 -8.027 -8.027 801 HA ALA 108 HA ALA 108 -3.714 -5.406 -5.406 802 1HB ALA 108 1HB ALA 108 -1.988 -7.159 -7.159 803 2HB ALA 108 3HB ALA 108 -2.982 -8.093 -8.093 804 3HB ALA 108 2HB ALA 108 -2.345 -6.512 -6.512 805 H ALA 109 H ALA 109 -5.567 -8.193 -8.193 806 HA ALA 109 HA ALA 109 -6.473 -6.875 -6.875 807 1HB ALA 109 1HB ALA 109 -6.626 -9.292 -9.292 808 2HB ALA 109 2HB ALA 109 -7.837 -9.069 -9.069 809 3HB ALA 109 3HB ALA 109 -8.213 -8.606 -8.606 810 H TYR 110 H TYR 110 -7.922 -7.055 -7.055 811 HA TYR 110 HA TYR 110 -10.226 -5.520 -5.520 812 1HB TYR 110 2HB TYR 110 -10.240 -6.601 -6.601 813 2HB TYR 110 1HB TYR 110 -8.701 -5.902 -5.902 814 HD1 TYR 110 HD2 TYR 110 -11.968 -4.522 -4.522 815 HD2 TYR 110 HD1 TYR 110 -8.883 -4.296 -4.296 816 HE1 TYR 110 HE2 TYR 110 -13.018 -2.485 -2.485 817 HE2 TYR 110 HE1 TYR 110 -9.947 -2.265 -2.265 818 HH TYR 110 HH TYR 110 -11.748 -0.842 -0.842 819 H LEU 111 H LEU 111 -7.022 -4.408 -4.408 820 HA LEU 111 HA LEU 111 -7.670 -1.649 -1.649 821 1HB LEU 111 1HB LEU 111 -5.011 -3.097 -3.097 822 2HB LEU 111 2HB LEU 111 -5.148 -1.337 -1.337 823 HG LEU 111 HG LEU 111 -6.308 -3.228 -3.228 824 1HD1 LEU 111 2HD1 LEU 111 -3.658 -1.733 -1.733 825 2HD1 LEU 111 3HD1 LEU 111 -4.357 -2.641 -2.641 826 3HD1 LEU 111 1HD1 LEU 111 -3.877 -3.495 -3.495 827 1HD2 LEU 111 3HD2 LEU 111 -5.859 -0.209 -0.209 828 2HD2 LEU 111 2HD2 LEU 111 -7.402 -1.064 -1.064 829 3HD2 LEU 111 1HD2 LEU 111 -6.194 -1.102 -1.102 830 H ALA 112 H ALA 112 -6.277 -3.737 -3.737 831 HA ALA 112 HA ALA 112 -5.906 -1.770 -1.770 832 1HB ALA 112 3HB ALA 112 -5.167 -4.116 -4.116 833 2HB ALA 112 2HB ALA 112 -6.853 -4.625 -4.625 834 3HB ALA 112 1HB ALA 112 -6.078 -3.560 -3.560 835 H SER 113 H SER 113 -8.874 -3.525 -3.525 836 HA SER 113 HA SER 113 -10.558 -2.460 -2.460 837 1HB SER 113 1HB SER 113 -11.439 -3.344 -3.344 838 2HB SER 113 2HB SER 113 -12.384 -3.297 -3.297 839 HG SER 113 HG SER 113 -10.092 -4.951 -4.951 840 H VAL 114 H VAL 114 -9.395 -1.072 -1.072 841 HA VAL 114 HA VAL 114 -11.464 0.977 0.977 842 HB VAL 114 HB VAL 114 -8.778 0.710 0.710 843 1HG1 VAL 114 1HG1 VAL 114 -11.124 2.522 2.522 844 2HG1 VAL 114 3HG1 VAL 114 -9.690 2.260 2.260 845 3HG1 VAL 114 2HG1 VAL 114 -9.521 3.047 3.047 846 1HG2 VAL 114 3HG2 VAL 114 -10.415 -1.116 -1.116 847 2HG2 VAL 114 2HG2 VAL 114 -10.133 -0.037 -0.037 848 3HG2 VAL 114 1HG2 VAL 114 -11.617 0.119 0.119 849 H VAL 115 H VAL 115 -8.343 0.645 0.645 850 HA VAL 115 HA VAL 115 -7.465 3.219 3.219 851 HB VAL 115 HB VAL 115 -7.256 1.064 1.064 852 1HG1 VAL 115 3HG1 VAL 115 -5.691 3.647 3.647 853 2HG1 VAL 115 1HG1 VAL 115 -5.183 2.373 2.373 854 3HG1 VAL 115 2HG1 VAL 115 -6.661 3.286 3.286 855 1HG2 VAL 115 2HG2 VAL 115 -6.336 0.441 0.441 856 2HG2 VAL 115 3HG2 VAL 115 -5.105 0.602 0.602 857 3HG2 VAL 115 1HG2 VAL 115 -5.332 1.893 1.893 858 H LYS 116 HN LYS 116 -8.738 4.755 4.755 859 HA LYS 116 HA LYS 116 -9.641 5.612 5.612 860 1HB LYS 116 2HB LYS 116 -11.538 5.293 5.293 861 2HB LYS 116 1HB LYS 116 -11.900 6.285 6.285 862 1HG LYS 116 2HG LYS 116 -11.746 4.221 4.221 863 2HG LYS 116 1HG LYS 116 -11.503 3.259 3.259 864 1HD LYS 116 1HD LYS 116 -13.969 4.918 4.918 865 2HD LYS 116 2HD LYS 116 -13.830 3.156 3.156 866 1HE LYS 116 2HE LYS 116 -13.722 4.916 4.916 867 2HE LYS 116 1HE LYS 116 -14.957 3.734 3.734 868 1HZ LYS 116 3HZ LYS 116 -13.254 2.020 2.020 869 2HZ LYS 116 2HZ LYS 116 -12.165 3.149 3.149 870 3HZ LYS 116 1HZ LYS 116 -13.504 2.836 2.836 871 HHA HEC 117 HHA HEM 117 2.788 2.388 2.388 872 HHB HEC 117 HHB HEM 117 -1.026 -2.121 -2.121 873 HHC HEC 117 HHC HEM 117 -2.788 -3.810 -3.810 874 HHD HEC 117 HHD HEM 117 1.475 0.185 0.185 875 1HMA HEC 117 1HMA HEM 117 1.195 -1.516 -1.516 876 2HMA HEC 117 2HMA HEM 117 1.144 0.199 0.199 877 3HMA HEC 117 3HMA HEM 117 -0.354 -0.634 -0.634 878 1HAA HEC 117 1HAA HEM 117 2.956 1.142 1.142 879 2HAA HEC 117 2HAA HEM 117 3.601 1.733 1.733 880 1HBA HEC 117 1HBA HEM 117 1.835 3.496 3.496 881 2HBA HEC 117 2HBA HEM 117 1.226 2.899 2.899 882 1HMB HEC 117 1HMB HEM 117 -3.985 -4.330 -4.330 883 2HMB HEC 117 2HMB HEM 117 -3.399 -2.794 -2.794 884 3HMB HEC 117 3HMB HEM 117 -2.372 -4.238 -4.238 885 HAB HEC 117 HAB HEM 117 -3.901 -4.984 -4.984 886 1HBB HEC 117 1HBB HEM 117 -3.481 -6.244 -6.244 887 2HBB HEC 117 2HBB HEM 117 -4.230 -6.969 -6.969 888 3HBB HEC 117 3HBB HEM 117 -2.499 -6.549 -6.549 889 1HMC HEC 117 1HMC HEM 117 -2.885 -2.807 -2.807 890 2HMC HEC 117 2HMC HEM 117 -2.606 -4.086 -4.086 891 3HMC HEC 117 3HMC HEM 117 -3.805 -2.815 -2.815 892 HAC HEC 117 HAC HEM 117 -1.090 -1.728 -1.728 893 1HBC HEC 117 1HBC HEM 117 0.078 0.044 0.044 894 2HBC HEC 117 2HBC HEM 117 0.309 0.912 0.912 895 3HBC HEC 117 3HBC HEM 117 1.135 -0.661 -0.661 896 1HMD HEC 117 1HMD HEM 117 3.412 2.061 2.061 897 2HMD HEC 117 2HMD HEM 117 1.786 2.741 2.741 898 3HMD HEC 117 3HMD HEM 117 3.055 3.698 3.698 899 1HAD HEC 117 1HAD HEM 117 3.920 4.115 4.115 900 2HAD HEC 117 2HAD HEM 117 3.364 4.103 4.103 901 1HBD HEC 117 1HBD HEM 117 4.937 2.289 2.289 902 2HBD HEC 117 2HBD HEM 117 5.276 2.059 2.059 Start of MODEL 15 1 1H GLY 1 1H GLY 1 -6.885 -12.909 -12.909 2 2H GLY 1 2H GLY 1 -7.143 -14.025 -14.025 3 1HA GLY 1 1HA GLY 1 -6.558 -11.158 -11.158 4 2HA GLY 1 2HA GLY 1 -6.882 -12.358 -12.358 5 H ASP 2 HN ASP 2 -8.823 -12.651 -12.651 6 HA ASP 2 HA ASP 2 -11.234 -11.853 -11.853 7 1HB ASP 2 1HB ASP 2 -11.388 -14.050 -14.050 8 2HB ASP 2 2HB ASP 2 -10.865 -13.430 -13.430 9 H ALA 3 H ALA 3 -11.358 -9.752 -9.752 10 HA ALA 3 HA ALA 3 -10.794 -7.969 -7.969 11 1HB ALA 3 3HB ALA 3 -11.524 -7.329 -7.329 12 2HB ALA 3 2HB ALA 3 -13.164 -7.934 -7.934 13 3HB ALA 3 1HB ALA 3 -12.533 -6.527 -6.527 14 H ALA 4 H ALA 4 -13.566 -10.252 -10.252 15 HA ALA 4 HA ALA 4 -15.059 -8.853 -8.853 16 1HB ALA 4 2HB ALA 4 -16.126 -10.467 -10.467 17 2HB ALA 4 1HB ALA 4 -15.213 -11.792 -11.792 18 3HB ALA 4 3HB ALA 4 -16.377 -10.870 -10.870 19 H LYS 5 HN LYS 5 -12.958 -11.837 -11.837 20 HA LYS 5 HA LYS 5 -12.830 -11.879 -11.879 21 1HB LYS 5 2HB LYS 5 -10.957 -12.872 -12.872 22 2HB LYS 5 1HB LYS 5 -10.543 -13.002 -13.002 23 1HG LYS 5 1HG LYS 5 -12.667 -14.185 -14.185 24 2HG LYS 5 2HG LYS 5 -13.053 -14.187 -14.187 25 1HD LYS 5 1HD LYS 5 -10.597 -15.463 -15.463 26 2HD LYS 5 2HD LYS 5 -12.055 -16.337 -16.337 27 1HE LYS 5 1HE LYS 5 -10.122 -14.915 -14.915 28 2HE LYS 5 2HE LYS 5 -10.261 -16.655 -16.655 29 1HZ LYS 5 2HZ LYS 5 -12.511 -16.541 -16.541 30 2HZ LYS 5 1HZ LYS 5 -12.366 -14.919 -14.919 31 3HZ LYS 5 3HZ LYS 5 -11.439 -15.982 -15.982 32 H GLY 6 H GLY 6 -10.905 -10.091 -10.091 33 1HA GLY 6 1HA GLY 6 -9.023 -8.867 -8.867 34 2HA GLY 6 2HA GLY 6 -9.757 -8.103 -8.103 35 H GLU 7 HN GLU 7 -12.333 -7.693 -7.693 36 HA GLU 7 HA GLU 7 -12.369 -5.424 -5.424 37 1HB GLU 7 1HB GLU 7 -13.980 -5.976 -5.976 38 2HB GLU 7 2HB GLU 7 -14.733 -7.179 -7.179 39 1HG GLU 7 2HG GLU 7 -15.306 -5.407 -5.407 40 2HG GLU 7 1HG GLU 7 -14.503 -4.200 -4.200 41 H LYS 8 HN LYS 8 -13.443 -8.804 -8.804 42 HA LYS 8 HA LYS 8 -14.390 -8.342 -8.342 43 1HB LYS 8 1HB LYS 8 -13.201 -10.855 -10.855 44 2HB LYS 8 2HB LYS 8 -13.993 -10.774 -10.774 45 1HG LYS 8 1HG LYS 8 -16.088 -10.015 -10.015 46 2HG LYS 8 2HG LYS 8 -15.337 -9.928 -9.928 47 1HD LYS 8 2HD LYS 8 -16.693 -11.951 -11.951 48 2HD LYS 8 1HD LYS 8 -14.994 -12.331 -12.331 49 1HE LYS 8 1HE LYS 8 -16.044 -13.833 -13.833 50 2HE LYS 8 2HE LYS 8 -14.681 -12.942 -12.942 51 1HZ LYS 8 1HZ LYS 8 -17.519 -12.241 -12.241 52 2HZ LYS 8 2HZ LYS 8 -16.570 -12.971 -12.971 53 3HZ LYS 8 3HZ LYS 8 -16.246 -11.428 -11.428 54 H GLU 9 HN GLU 9 -11.054 -9.436 -9.436 55 HA GLU 9 HA GLU 9 -9.856 -9.503 -9.503 56 1HB GLU 9 1HB GLU 9 -8.985 -8.952 -8.952 57 2HB GLU 9 2HB GLU 9 -7.875 -9.046 -9.046 58 1HG GLU 9 1HG GLU 9 -8.487 -11.357 -11.357 59 2HG GLU 9 2HG GLU 9 -9.782 -11.304 -11.304 60 H PHE 10 H PHE 10 -10.503 -6.835 -6.835 61 HA PHE 10 HA PHE 10 -8.958 -4.894 -4.894 62 1HB PHE 10 2HB PHE 10 -10.667 -4.999 -4.999 63 2HB PHE 10 1HB PHE 10 -11.540 -3.944 -3.944 64 HD1 PHE 10 HD2 PHE 10 -10.237 -1.851 -1.851 65 HD2 PHE 10 HD1 PHE 10 -8.672 -4.456 -4.456 66 HE1 PHE 10 HE2 PHE 10 -8.416 -0.226 -0.226 67 HE2 PHE 10 HE1 PHE 10 -6.910 -2.784 -2.784 68 HZ PHE 10 HZ PHE 10 -6.757 -0.708 -0.708 69 H ASN 11 H ASN 11 -12.013 -6.230 -6.230 70 HA ASN 11 HA ASN 11 -12.821 -4.134 -4.134 71 1HB ASN 11 1HB ASN 11 -13.990 -6.357 -6.357 72 2HB ASN 11 2HB ASN 11 -13.053 -7.081 -7.081 73 1HD2 ASN 11 1HD2 ASN 11 -14.938 -4.773 -4.773 74 2HD2 ASN 11 2HD2 ASN 11 -13.236 -4.873 -4.873 75 H LYS 12 HN LYS 12 -10.150 -6.448 -6.448 76 HA LYS 12 HA LYS 12 -9.529 -5.674 -5.674 77 1HB LYS 12 2HB LYS 12 -8.201 -7.687 -7.687 78 2HB LYS 12 1HB LYS 12 -7.880 -7.443 -7.443 79 1HG LYS 12 2HG LYS 12 -10.282 -8.029 -8.029 80 2HG LYS 12 1HG LYS 12 -10.501 -8.437 -8.437 81 1HD LYS 12 2HD LYS 12 -8.493 -9.764 -9.764 82 2HD LYS 12 1HD LYS 12 -10.078 -10.416 -10.416 83 1HE LYS 12 2HE LYS 12 -9.372 -10.427 -10.427 84 2HE LYS 12 1HE LYS 12 -7.749 -9.912 -9.912 85 1HZ LYS 12 1HZ LYS 12 -7.581 -11.897 -11.897 86 2HZ LYS 12 2HZ LYS 12 -9.085 -12.384 -12.384 87 3HZ LYS 12 3HZ LYS 12 -7.875 -12.256 -12.256 88 H CYS 13 H CYS 13 -8.121 -5.768 -5.768 89 HA CYS 13 HA CYS 13 -5.613 -4.555 -4.555 90 1HB CYS 13 2HB CYS 13 -6.827 -5.717 -5.717 91 2HB CYS 13 1HB CYS 13 -7.080 -4.023 -4.023 92 H LYS 14 HN LYS 14 -8.776 -2.942 -2.942 93 HA LYS 14 HA LYS 14 -7.930 -0.317 -0.317 94 1HB LYS 14 2HB LYS 14 -10.186 0.298 0.298 95 2HB LYS 14 1HB LYS 14 -10.210 -1.150 -1.150 96 1HG LYS 14 2HG LYS 14 -11.642 -1.867 -1.867 97 2HG LYS 14 1HG LYS 14 -10.142 -2.364 -2.364 98 1HD LYS 14 2HD LYS 14 -10.207 -0.088 -0.088 99 2HD LYS 14 1HD LYS 14 -11.779 0.170 0.170 100 1HE LYS 14 2HE LYS 14 -12.004 -0.674 -0.674 101 2HE LYS 14 1HE LYS 14 -12.650 -1.858 -1.858 102 1HZ LYS 14 2HZ LYS 14 -9.941 -2.006 -2.006 103 2HZ LYS 14 1HZ LYS 14 -11.261 -2.797 -2.797 104 3HZ LYS 14 3HZ LYS 14 -10.715 -3.139 -3.139 105 H THR 15 H THR 15 -7.460 -2.215 -2.215 106 HA THR 15 HA THR 15 -7.912 -0.324 -0.324 107 HB THR 15 HB THR 15 -5.948 -2.645 -2.645 108 HG1 THR 15 HG1 THR 15 -7.978 -3.389 -3.389 109 1HG2 THR 15 1HG2 THR 15 -7.110 -1.095 -1.095 110 2HG2 THR 15 2HG2 THR 15 -6.291 -2.665 -2.665 111 3HG2 THR 15 3HG2 THR 15 -5.389 -1.248 -1.248 112 H CYS 16 H CYS 16 -5.412 -0.337 -0.337 113 HA CYS 16 HA CYS 16 -4.102 1.967 1.967 114 1HB CYS 16 1HB CYS 16 -2.900 -0.084 -0.084 115 2HB CYS 16 2HB CYS 16 -2.092 1.395 1.395 116 H HIS 17 HN HIS 17 -5.656 0.881 0.881 117 HA HIS 17 HA HIS 17 -4.733 3.387 3.387 118 1HB HIS 17 1HB HIS 17 -5.185 0.558 0.558 119 2HB HIS 17 2HB HIS 17 -5.088 1.949 1.949 120 HD1 HIS 17 HD1 HIS 17 -2.798 3.107 3.107 121 HD2 HIS 17 HD2 HIS 17 -2.628 -0.188 -0.188 122 HE1 HIS 17 HE1 HIS 17 -0.399 2.331 2.331 123 H SER 18 H SER 18 -6.156 4.121 4.121 124 HA SER 18 HA SER 18 -9.025 3.379 3.379 125 1HB SER 18 1HB SER 18 -7.867 6.205 6.205 126 2HB SER 18 2HB SER 18 -9.584 5.826 5.826 127 HG SER 18 HG SER 18 -7.966 5.064 5.064 128 H ILE 19 H ILE 19 -10.333 4.223 4.223 129 HA ILE 19 HA ILE 19 -8.913 5.125 5.125 130 HB ILE 19 HB ILE 19 -10.834 2.780 2.780 131 1HG1 ILE 19 1HG1 ILE 19 -8.831 2.002 2.002 132 2HG1 ILE 19 2HG1 ILE 19 -7.911 3.166 3.166 133 1HG2 ILE 19 2HG2 ILE 19 -11.407 4.392 4.392 134 2HG2 ILE 19 3HG2 ILE 19 -9.772 4.087 4.087 135 3HG2 ILE 19 1HG2 ILE 19 -10.943 2.761 2.761 136 1HD1 ILE 19 1HD1 ILE 19 -8.584 1.845 1.845 137 2HD1 ILE 19 2HD1 ILE 19 -9.449 0.727 0.727 138 3HD1 ILE 19 3HD1 ILE 19 -7.691 0.938 0.938 139 H ILE 20 H ILE 20 -9.812 6.895 6.895 140 HA ILE 20 HA ILE 20 -12.626 7.570 7.570 141 HB ILE 20 HB ILE 20 -10.715 8.884 8.884 142 1HG1 ILE 20 2HG1 ILE 20 -11.940 11.154 11.154 143 2HG1 ILE 20 1HG1 ILE 20 -13.108 9.992 9.992 144 1HG2 ILE 20 2HG2 ILE 20 -9.285 9.109 9.109 145 2HG2 ILE 20 1HG2 ILE 20 -10.479 10.263 10.263 146 3HG2 ILE 20 3HG2 ILE 20 -9.604 10.621 10.621 147 1HD1 ILE 20 3HD1 ILE 20 -13.081 8.878 8.878 148 2HD1 ILE 20 2HD1 ILE 20 -12.058 10.210 10.210 149 3HD1 ILE 20 1HD1 ILE 20 -13.707 10.541 10.541 150 H ALA 21 H ALA 21 -13.900 8.145 8.145 151 HA ALA 21 HA ALA 21 -12.786 7.545 7.545 152 1HB ALA 21 3HB ALA 21 -15.188 7.215 7.215 153 2HB ALA 21 1HB ALA 21 -15.381 8.977 8.977 154 3HB ALA 21 2HB ALA 21 -14.999 8.169 8.169 155 HA PRO 22 HA PRO 22 -11.148 11.508 11.508 156 1HB PRO 22 1HB PRO 22 -13.107 11.499 11.499 157 2HB PRO 22 2HB PRO 22 -11.366 11.904 11.904 158 1HG PRO 22 1HG PRO 22 -12.162 9.449 9.449 159 2HG PRO 22 2HG PRO 22 -10.775 9.600 9.600 160 1HD PRO 22 2HD PRO 22 -13.651 8.933 8.933 161 2HD PRO 22 1HD PRO 22 -12.160 8.121 8.121 162 H ASP 23 HN ASP 23 -14.685 11.266 11.266 163 HA ASP 23 HA ASP 23 -15.227 14.083 14.083 164 1HB ASP 23 1HB ASP 23 -17.584 13.265 13.265 165 2HB ASP 23 2HB ASP 23 -16.703 12.625 12.625 166 H GLY 24 H GLY 24 -14.184 11.833 11.833 167 1HA GLY 24 1HA GLY 24 -13.917 12.464 12.464 168 2HA GLY 24 2HA GLY 24 -15.350 13.485 13.485 169 H THR 25 H THR 25 -16.743 10.937 10.937 170 HA THR 25 HA THR 25 -17.973 9.981 9.981 171 HB THR 25 HB THR 25 -17.804 8.638 8.638 172 HG1 THR 25 HG1 THR 25 -18.738 10.621 10.621 173 1HG2 THR 25 3HG2 THR 25 -19.764 8.272 8.272 174 2HG2 THR 25 1HG2 THR 25 -19.936 7.574 7.574 175 3HG2 THR 25 2HG2 THR 25 -18.599 7.058 7.058 176 H GLU 26 HN GLU 26 -17.093 8.704 8.704 177 HA GLU 26 HA GLU 26 -14.524 7.488 7.488 178 1HB GLU 26 1HB GLU 26 -14.643 6.760 6.760 179 2HB GLU 26 2HB GLU 26 -15.233 8.414 8.414 180 1HG GLU 26 2HG GLU 26 -16.710 7.428 7.428 181 2HG GLU 26 1HG GLU 26 -17.626 7.426 7.426 182 H ILE 27 H ILE 27 -13.950 5.434 5.434 183 HA ILE 27 HA ILE 27 -16.170 3.583 3.583 184 HB ILE 27 HB ILE 27 -13.177 3.356 3.356 185 1HG1 ILE 27 2HG1 ILE 27 -13.862 5.229 5.229 186 2HG1 ILE 27 1HG1 ILE 27 -13.753 3.848 3.848 187 1HG2 ILE 27 2HG2 ILE 27 -15.516 1.735 1.735 188 2HG2 ILE 27 1HG2 ILE 27 -13.836 1.602 1.602 189 3HG2 ILE 27 3HG2 ILE 27 -14.252 1.187 1.187 190 1HD1 ILE 27 1HD1 ILE 27 -16.305 3.593 3.593 191 2HD1 ILE 27 3HD1 ILE 27 -16.272 5.165 5.165 192 3HD1 ILE 27 2HD1 ILE 27 -15.747 5.035 5.035 193 H VAL 28 H VAL 28 -13.217 3.899 3.899 194 HA VAL 28 HA VAL 28 -14.523 2.459 2.459 195 HB VAL 28 HB VAL 28 -13.841 0.499 0.499 196 1HG1 VAL 28 2HG2 VAL 28 -12.195 1.364 1.364 197 2HG1 VAL 28 1HG2 VAL 28 -11.036 1.646 1.646 198 3HG1 VAL 28 3HG2 VAL 28 -11.541 -0.004 -0.004 199 1HG2 VAL 28 2HG1 VAL 28 -13.481 0.618 0.618 200 2HG2 VAL 28 3HG1 VAL 28 -12.400 -0.526 -0.526 201 3HG2 VAL 28 1HG1 VAL 28 -11.780 1.048 1.048 202 H LYS 29 HN LYS 29 -14.339 4.220 4.220 203 HA LYS 29 HA LYS 29 -11.822 5.676 5.676 204 1HB LYS 29 2HB LYS 29 -13.825 6.992 6.992 205 2HB LYS 29 1HB LYS 29 -14.575 5.925 5.925 206 1HG LYS 29 2HG LYS 29 -13.768 8.049 8.049 207 2HG LYS 29 1HG LYS 29 -13.021 6.636 6.636 208 1HD LYS 29 1HD LYS 29 -10.951 7.011 7.011 209 2HD LYS 29 2HD LYS 29 -11.745 8.393 8.393 210 1HE LYS 29 1HE LYS 29 -10.214 9.138 9.138 211 2HE LYS 29 2HE LYS 29 -11.873 9.518 9.518 212 1HZ LYS 29 1HZ LYS 29 -10.350 7.149 7.149 213 2HZ LYS 29 2HZ LYS 29 -10.521 8.535 8.535 214 3HZ LYS 29 3HZ LYS 29 -11.835 7.606 7.606 215 H GLY 30 H GLY 30 -10.356 4.278 4.278 216 1HA GLY 30 1HA GLY 30 -11.001 2.669 2.669 217 2HA GLY 30 2HA GLY 30 -9.685 2.411 2.411 218 H ALA 31 H ALA 31 -8.122 2.686 2.686 219 HA ALA 31 HA ALA 31 -7.885 5.352 5.352 220 1HB ALA 31 3HB ALA 31 -7.225 3.272 3.272 221 2HB ALA 31 1HB ALA 31 -5.969 3.037 3.037 222 3HB ALA 31 2HB ALA 31 -5.897 4.442 4.442 223 H LYS 32 HN LYS 32 -5.452 6.208 6.208 224 HA LYS 32 HA LYS 32 -4.614 6.160 6.160 225 1HB LYS 32 2HB LYS 32 -4.959 8.640 8.640 226 2HB LYS 32 1HB LYS 32 -4.290 8.585 8.585 227 1HG LYS 32 2HG LYS 32 -6.465 7.602 7.602 228 2HG LYS 32 1HG LYS 32 -7.158 7.881 7.881 229 1HD LYS 32 1HD LYS 32 -6.052 9.990 9.990 230 2HD LYS 32 2HD LYS 32 -7.755 9.688 9.688 231 1HE LYS 32 1HE LYS 32 -5.653 10.790 10.790 232 2HE LYS 32 2HE LYS 32 -7.005 11.665 11.665 233 1HZ LYS 32 1HZ LYS 32 -8.501 10.225 10.225 234 2HZ LYS 32 2HZ LYS 32 -7.236 9.422 9.422 235 3HZ LYS 32 3HZ LYS 32 -7.490 11.012 11.012 236 H THR 33 H THR 33 -3.603 4.612 4.612 237 HA THR 33 HA THR 33 -1.264 5.853 5.853 238 HB THR 33 HB THR 33 -1.614 2.889 2.889 239 HG1 THR 33 HG1 THR 33 -2.979 2.843 2.843 240 1HG2 THR 33 3HG2 THR 33 0.432 3.722 3.722 241 2HG2 THR 33 1HG2 THR 33 -0.583 4.500 4.500 242 3HG2 THR 33 2HG2 THR 33 -0.570 2.730 2.730 243 H GLY 34 H GLY 34 -2.131 3.921 3.921 244 1HA GLY 34 1HA GLY 34 0.511 4.526 4.526 245 2HA GLY 34 2HA GLY 34 -0.553 3.188 3.188 246 HA PRO 35 HA PRO 35 -1.493 7.420 7.420 247 1HB PRO 35 1HB PRO 35 -0.741 5.683 5.683 248 2HB PRO 35 2HB PRO 35 -0.554 7.452 7.452 249 1HG PRO 35 1HG PRO 35 1.545 5.810 5.810 250 2HG PRO 35 2HG PRO 35 1.280 7.160 7.160 251 1HD PRO 35 1HD PRO 35 0.662 4.237 4.237 252 2HD PRO 35 2HD PRO 35 1.324 5.407 5.407 253 H ASN 36 H ASN 36 -3.233 7.840 7.840 254 HA ASN 36 HA ASN 36 -5.430 5.943 5.943 255 1HB ASN 36 2HB ASN 36 -5.828 8.394 8.394 256 2HB ASN 36 1HB ASN 36 -5.134 8.509 8.509 257 1HD2 ASN 36 2HD2 ASN 36 -9.027 7.740 7.740 258 2HD2 ASN 36 1HD2 ASN 36 -8.057 8.559 8.559 259 H LEU 37 H LEU 37 -5.611 4.305 4.305 260 HA LEU 37 HA LEU 37 -3.539 4.091 4.091 261 1HB LEU 37 2HB LEU 37 -5.515 2.020 2.020 262 2HB LEU 37 1HB LEU 37 -4.187 1.742 1.742 263 HG LEU 37 HG LEU 37 -3.931 2.537 2.537 264 1HD1 LEU 37 2HD1 LEU 37 -4.538 0.178 0.178 265 2HD1 LEU 37 1HD1 LEU 37 -3.118 0.019 0.019 266 3HD1 LEU 37 3HD1 LEU 37 -2.908 0.307 0.307 267 1HD2 LEU 37 2HD2 LEU 37 -1.808 2.205 2.205 268 2HD2 LEU 37 3HD2 LEU 37 -2.064 3.613 3.613 269 3HD2 LEU 37 1HD2 LEU 37 -1.430 2.105 2.105 270 H TYR 38 H TYR 38 -6.438 5.620 5.620 271 HA TYR 38 HA TYR 38 -7.674 4.375 4.375 272 1HB TYR 38 1HB TYR 38 -8.809 6.153 6.153 273 2HB TYR 38 2HB TYR 38 -7.518 7.293 7.293 274 HD1 TYR 38 HD1 TYR 38 -10.250 5.260 5.260 275 HD2 TYR 38 HD2 TYR 38 -7.442 8.488 8.488 276 HE1 TYR 38 HE1 TYR 38 -10.964 5.520 5.520 277 HE2 TYR 38 HE2 TYR 38 -8.106 8.697 8.697 278 HH TYR 38 HH TYR 38 -10.734 6.800 6.800 279 H GLY 39 H GLY 39 -6.690 3.924 3.924 280 1HA GLY 39 1HA GLY 39 -5.541 4.301 4.301 281 2HA GLY 39 2HA GLY 39 -5.275 5.979 5.979 282 H VAL 40 H VAL 40 -4.249 3.436 3.436 283 HA VAL 40 HA VAL 40 -1.531 4.174 4.174 284 HB VAL 40 HB VAL 40 -2.630 2.891 2.891 285 1HG1 VAL 40 1HG2 VAL 40 -3.673 1.102 1.102 286 2HG1 VAL 40 3HG2 VAL 40 -2.044 0.471 0.471 287 3HG1 VAL 40 2HG2 VAL 40 -2.687 0.457 0.457 288 1HG2 VAL 40 2HG1 VAL 40 -0.189 3.192 3.192 289 2HG2 VAL 40 1HG1 VAL 40 -0.621 1.605 1.605 290 3HG2 VAL 40 3HG1 VAL 40 -0.018 1.730 1.730 291 H VAL 41 H VAL 41 -3.390 1.708 1.708 292 HA VAL 41 HA VAL 41 -1.208 0.339 0.339 293 HB VAL 41 HB VAL 41 -4.058 0.712 0.712 294 1HG1 VAL 41 2HG1 VAL 41 -1.971 -1.423 -1.423 295 2HG1 VAL 41 3HG1 VAL 41 -3.660 -1.403 -1.403 296 3HG1 VAL 41 1HG1 VAL 41 -2.538 -0.159 -0.159 297 1HG2 VAL 41 1HG2 VAL 41 -2.827 -1.438 -1.438 298 2HG2 VAL 41 2HG2 VAL 41 -4.082 -0.271 -0.271 299 3HG2 VAL 41 3HG2 VAL 41 -4.439 -1.524 -1.524 300 H GLY 42 H GLY 42 0.320 1.424 1.424 301 1HA GLY 42 1HA GLY 42 1.180 2.247 2.247 302 2HA GLY 42 2HA GLY 42 -0.282 3.204 3.204 303 H ARG 43 HN ARG 43 0.297 3.616 3.616 304 HA ARG 43 HA ARG 43 1.233 6.270 6.270 305 1HB ARG 43 2HB ARG 43 -0.440 5.538 5.538 306 2HB ARG 43 1HB ARG 43 0.881 4.812 4.812 307 1HG ARG 43 1HG ARG 43 0.232 6.987 6.987 308 2HG ARG 43 2HG ARG 43 1.898 7.021 7.021 309 1HD ARG 43 1HD ARG 43 1.153 8.254 8.254 310 2HD ARG 43 2HD ARG 43 -0.531 7.959 7.959 311 HE ARG 43 HE ARG 43 -0.477 9.834 9.834 312 1HH1 ARG 43 1HH1 ARG 43 2.824 8.635 8.635 313 2HH1 ARG 43 2HH1 ARG 43 3.559 9.963 9.963 314 1HH2 ARG 43 2HH2 ARG 43 0.461 11.687 11.687 315 2HH2 ARG 43 1HH2 ARG 43 2.155 11.664 11.664 316 H THR 44 H THR 44 3.193 7.215 7.215 317 HA THR 44 HA THR 44 5.491 5.722 5.722 318 HB THR 44 HB THR 44 5.237 8.652 8.652 319 HG1 THR 44 HG1 THR 44 4.917 7.502 7.502 320 1HG2 THR 44 2HG2 THR 44 7.238 7.196 7.196 321 2HG2 THR 44 3HG2 THR 44 7.165 8.950 8.950 322 3HG2 THR 44 1HG2 THR 44 7.559 7.876 7.876 323 H ALA 45 H ALA 45 4.915 4.391 4.391 324 HA ALA 45 HA ALA 45 5.583 3.640 3.640 325 1HB ALA 45 2HB ALA 45 7.865 4.226 4.226 326 2HB ALA 45 3HB ALA 45 7.864 5.611 5.611 327 3HB ALA 45 1HB ALA 45 7.807 3.953 3.953 328 H GLY 46 H GLY 46 6.970 5.162 5.162 329 1HA GLY 46 1HA GLY 46 4.639 6.218 6.218 330 2HA GLY 46 2HA GLY 46 6.294 6.163 6.163 331 H THR 47 H THR 47 4.336 7.883 7.883 332 HA THR 47 HA THR 47 5.342 10.473 10.473 333 HB THR 47 HB THR 47 5.604 11.344 11.344 334 HG1 THR 47 HG1 THR 47 5.602 8.668 8.668 335 1HG2 THR 47 1HG2 THR 47 7.582 10.478 10.478 336 2HG2 THR 47 3HG2 THR 47 7.368 8.897 8.897 337 3HG2 THR 47 2HG2 THR 47 7.741 10.326 10.326 338 H TYR 48 H TYR 48 2.763 8.942 8.942 339 HA TYR 48 HA TYR 48 0.765 10.436 10.436 340 1HB TYR 48 2HB TYR 48 0.682 8.099 8.099 341 2HB TYR 48 1HB TYR 48 0.168 9.139 9.139 342 HD1 TYR 48 HD1 TYR 48 -1.931 10.531 10.531 343 HD2 TYR 48 HD2 TYR 48 -0.799 7.478 7.478 344 HE1 TYR 48 HE1 TYR 48 -4.278 10.386 10.386 345 HE2 TYR 48 HE2 TYR 48 -3.117 7.356 7.356 346 HH TYR 48 HH TYR 48 -5.273 8.031 8.031 347 HA PRO 49 HA PRO 49 1.492 14.060 14.060 348 1HB PRO 49 2HB PRO 49 -1.083 15.277 15.277 349 2HB PRO 49 1HB PRO 49 0.276 15.501 15.501 350 1HG PRO 49 1HG PRO 49 -2.131 13.666 13.666 351 2HG PRO 49 2HG PRO 49 -1.364 14.577 14.577 352 1HD PRO 49 2HD PRO 49 -0.968 11.912 11.912 353 2HD PRO 49 1HD PRO 49 0.377 12.971 12.971 354 H GLU 50 HN GLU 50 0.650 15.382 15.382 355 HA GLU 50 HA GLU 50 0.643 15.435 15.435 356 1HB GLU 50 2HB GLU 50 -2.150 14.318 14.318 357 2HB GLU 50 1HB GLU 50 -1.598 15.418 15.418 358 1HG GLU 50 2HG GLU 50 -2.009 16.009 16.009 359 2HG GLU 50 1HG GLU 50 -2.812 16.746 16.746 360 H PHE 51 H PHE 51 2.215 13.391 13.391 361 HA PHE 51 HA PHE 51 1.544 11.725 11.725 362 1HB PHE 51 2HB PHE 51 0.440 10.590 10.590 363 2HB PHE 51 1HB PHE 51 2.035 10.405 10.405 364 HD1 PHE 51 HD2 PHE 51 3.773 8.971 8.971 365 HD2 PHE 51 HD1 PHE 51 -0.303 9.271 9.271 366 HE1 PHE 51 HE2 PHE 51 4.155 7.076 7.076 367 HE2 PHE 51 HE1 PHE 51 0.088 7.385 7.385 368 HZ PHE 51 HZ PHE 51 2.310 6.263 6.263 369 H LYS 52 HN LYS 52 3.390 11.778 11.778 370 HA LYS 52 HA LYS 52 5.962 12.358 12.358 371 1HB LYS 52 2HB LYS 52 5.344 13.325 13.325 372 2HB LYS 52 1HB LYS 52 5.077 11.733 11.733 373 1HG LYS 52 2HG LYS 52 7.214 12.711 12.711 374 2HG LYS 52 1HG LYS 52 7.413 11.163 11.163 375 1HD LYS 52 2HD LYS 52 8.142 12.335 12.335 376 2HD LYS 52 1HD LYS 52 7.818 13.903 13.903 377 1HE LYS 52 1HE LYS 52 10.211 13.374 13.374 378 2HE LYS 52 2HE LYS 52 9.597 13.430 13.430 379 1HZ LYS 52 2HZ LYS 52 9.971 10.965 10.965 380 2HZ LYS 52 3HZ LYS 52 11.041 11.544 11.544 381 3HZ LYS 52 1HZ LYS 52 9.537 11.063 11.063 382 H TYR 53 H TYR 53 6.945 10.718 10.718 383 HA TYR 53 HA TYR 53 6.690 7.903 7.903 384 1HB TYR 53 2HB TYR 53 8.119 9.079 9.079 385 2HB TYR 53 1HB TYR 53 7.750 7.397 7.397 386 HD1 TYR 53 HD2 TYR 53 6.252 10.614 10.614 387 HD2 TYR 53 HD1 TYR 53 5.691 6.357 6.357 388 HE1 TYR 53 HE2 TYR 53 4.090 10.765 10.765 389 HE2 TYR 53 HE1 TYR 53 3.602 6.497 6.497 390 HH TYR 53 HH TYR 53 2.162 9.651 9.651 391 H LYS 54 HN LYS 54 8.874 6.783 6.783 392 HA LYS 54 HA LYS 54 11.193 7.842 7.842 393 1HB LYS 54 1HB LYS 54 10.594 5.043 5.043 394 2HB LYS 54 2HB LYS 54 12.024 5.535 5.535 395 1HG LYS 54 2HG LYS 54 10.541 6.179 6.179 396 2HG LYS 54 1HG LYS 54 9.142 5.635 5.635 397 1HD LYS 54 1HD LYS 54 9.778 3.902 3.902 398 2HD LYS 54 2HD LYS 54 9.973 3.355 3.355 399 1HE LYS 54 2HE LYS 54 11.809 2.612 2.612 400 2HE LYS 54 1HE LYS 54 12.390 3.552 3.552 401 1HZ LYS 54 2HZ LYS 54 11.968 4.581 4.581 402 2HZ LYS 54 1HZ LYS 54 13.425 4.203 4.203 403 3HZ LYS 54 3HZ LYS 54 12.539 5.451 5.451 404 H ASP 55 HN ASP 55 13.312 7.368 7.368 405 HA ASP 55 HA ASP 55 13.411 8.704 8.704 406 1HB ASP 55 1HB ASP 55 15.504 6.736 6.736 407 2HB ASP 55 2HB ASP 55 15.750 8.183 8.183 408 H SER 56 H SER 56 13.182 5.170 5.170 409 HA SER 56 HA SER 56 14.407 4.288 4.288 410 1HB SER 56 2HB SER 56 13.230 2.158 2.158 411 2HB SER 56 1HB SER 56 14.420 2.929 2.929 412 HG SER 56 HG SER 56 12.238 2.442 2.442 413 H ILE 57 H ILE 57 11.128 4.099 4.099 414 HA ILE 57 HA ILE 57 9.873 3.302 3.302 415 HB ILE 57 HB ILE 57 9.130 3.281 3.281 416 1HG1 ILE 57 2HG1 ILE 57 6.634 3.569 3.569 417 2HG1 ILE 57 1HG1 ILE 57 7.127 3.967 3.967 418 1HG2 ILE 57 1HG2 ILE 57 9.397 5.639 5.639 419 2HG2 ILE 57 2HG2 ILE 57 8.051 6.034 6.034 420 3HG2 ILE 57 3HG2 ILE 57 7.769 5.074 5.074 421 1HD1 ILE 57 3HD1 ILE 57 7.867 1.394 1.394 422 2HD1 ILE 57 1HD1 ILE 57 6.486 1.576 1.576 423 3HD1 ILE 57 2HD1 ILE 57 8.131 1.747 1.747 424 H VAL 58 H VAL 58 10.776 6.554 6.554 425 HA VAL 58 HA VAL 58 9.363 7.889 7.889 426 HB VAL 58 HB VAL 58 11.630 8.716 8.716 427 1HG1 VAL 58 1HG2 VAL 58 10.144 10.375 10.375 428 2HG1 VAL 58 2HG2 VAL 58 11.175 11.040 11.040 429 3HG1 VAL 58 3HG2 VAL 58 11.886 10.022 10.022 430 1HG2 VAL 58 3HG1 VAL 58 9.285 8.392 8.392 431 2HG2 VAL 58 1HG1 VAL 58 9.971 10.016 10.016 432 3HG2 VAL 58 2HG1 VAL 58 8.759 9.708 9.708 433 H ALA 59 H ALA 59 12.757 6.883 6.883 434 HA ALA 59 HA ALA 59 13.965 7.651 7.651 435 1HB ALA 59 1HB ALA 59 15.209 6.843 6.843 436 2HB ALA 59 2HB ALA 59 14.625 5.188 5.188 437 3HB ALA 59 3HB ALA 59 15.677 5.975 5.975 438 H LEU 60 H LEU 60 12.009 4.597 4.597 439 HA LEU 60 HA LEU 60 12.625 3.412 3.412 440 1HB LEU 60 1HB LEU 60 10.393 3.409 3.409 441 2HB LEU 60 2HB LEU 60 9.980 2.885 2.885 442 HG LEU 60 HG LEU 60 12.033 1.623 1.623 443 1HD1 LEU 60 3HD1 LEU 60 9.698 1.149 1.149 444 2HD1 LEU 60 2HD1 LEU 60 9.422 0.610 0.610 445 3HD1 LEU 60 1HD1 LEU 60 10.521 -0.299 -0.299 446 1HD2 LEU 60 3HD2 LEU 60 11.383 0.958 0.958 447 2HD2 LEU 60 2HD2 LEU 60 12.986 1.281 1.281 448 3HD2 LEU 60 1HD2 LEU 60 12.138 -0.199 -0.199 449 H GLY 61 H GLY 61 10.172 5.902 5.902 450 1HA GLY 61 1HA GLY 61 8.937 6.082 6.082 451 2HA GLY 61 2HA GLY 61 8.918 7.300 7.300 452 H ALA 62 H ALA 62 11.511 7.965 7.965 453 HA ALA 62 HA ALA 62 12.102 9.758 9.758 454 1HB ALA 62 1HB ALA 62 12.979 9.932 9.932 455 2HB ALA 62 3HB ALA 62 14.088 8.583 8.583 456 3HB ALA 62 2HB ALA 62 14.241 10.106 10.106 457 H SER 63 H SER 63 13.258 6.430 6.430 458 HA SER 63 HA SER 63 15.085 6.414 6.414 459 1HB SER 63 2HB SER 63 15.236 4.938 4.938 460 2HB SER 63 1HB SER 63 13.812 4.054 4.054 461 HG SER 63 HG SER 63 15.082 3.788 3.788 462 H GLY 64 H GLY 64 11.750 6.667 6.667 463 1HA GLY 64 1HA GLY 64 10.570 6.689 6.689 464 2HA GLY 64 2HA GLY 64 11.758 5.646 5.646 465 H PHE 65 H PHE 65 10.640 4.562 4.562 466 HA PHE 65 HA PHE 65 9.463 2.190 2.190 467 1HB PHE 65 1HB PHE 65 10.551 2.390 2.390 468 2HB PHE 65 2HB PHE 65 9.290 3.530 3.530 469 HD1 PHE 65 HD1 PHE 65 6.964 2.869 2.869 470 HD2 PHE 65 HD2 PHE 65 10.034 -0.043 -0.043 471 HE1 PHE 65 HE1 PHE 65 5.849 1.275 1.275 472 HE2 PHE 65 HE2 PHE 65 8.882 -1.663 -1.663 473 HZ PHE 65 HZ PHE 65 6.875 -0.941 -0.941 474 H ALA 66 H ALA 66 7.269 1.583 1.583 475 HA ALA 66 HA ALA 66 5.175 3.551 3.551 476 1HB ALA 66 2HB ALA 66 5.357 2.119 2.119 477 2HB ALA 66 1HB ALA 66 3.962 3.050 3.050 478 3HB ALA 66 3HB ALA 66 5.503 3.872 3.872 479 H TRP 67 H TRP 67 3.685 2.451 2.451 480 HA TRP 67 HA TRP 67 4.087 -0.319 -0.319 481 1HB TRP 67 2HB TRP 67 1.889 1.699 1.699 482 2HB TRP 67 1HB TRP 67 1.653 0.006 0.006 483 HD1 TRP 67 HD1 TRP 67 2.644 3.049 3.049 484 HE1 TRP 67 HE1 TRP 67 3.961 2.629 2.629 485 HE3 TRP 67 HE3 TRP 67 3.652 -1.929 -1.929 486 HZ2 TRP 67 HZ2 TRP 67 5.369 0.462 0.462 487 HZ3 TRP 67 HZ3 TRP 67 4.981 -3.146 -3.146 488 HH2 TRP 67 HH2 TRP 67 5.938 -1.957 -1.957 489 H THR 68 H THR 68 2.710 -2.046 -2.046 490 HA THR 68 HA THR 68 0.819 -1.898 -1.898 491 HB THR 68 HB THR 68 1.721 -3.894 -3.894 492 HG1 THR 68 HG1 THR 68 4.103 -3.874 -3.874 493 1HG2 THR 68 3HG2 THR 68 2.635 -1.767 -1.767 494 2HG2 THR 68 1HG2 THR 68 4.011 -1.930 -1.930 495 3HG2 THR 68 2HG2 THR 68 3.771 -3.126 -3.126 496 H GLU 69 HN GLU 69 -0.477 -3.979 -3.979 497 HA GLU 69 HA GLU 69 -1.530 -4.707 -4.707 498 1HB GLU 69 1HB GLU 69 -1.287 -6.377 -6.377 499 2HB GLU 69 2HB GLU 69 -2.401 -6.637 -6.637 500 1HG GLU 69 2HG GLU 69 -3.564 -5.694 -5.694 501 2HG GLU 69 1HG GLU 69 -3.403 -4.351 -4.351 502 H GLU 70 HN GLU 70 0.845 -6.204 -6.204 503 HA GLU 70 HA GLU 70 1.499 -8.540 -8.540 504 1HB GLU 70 2HB GLU 70 3.575 -6.932 -6.932 505 2HB GLU 70 1HB GLU 70 3.551 -8.646 -8.646 506 1HG GLU 70 2HG GLU 70 2.972 -8.600 -8.600 507 2HG GLU 70 1HG GLU 70 1.354 -8.700 -8.700 508 H ASP 71 HN ASP 71 3.314 -5.486 -5.486 509 HA ASP 71 HA ASP 71 5.158 -6.065 -6.065 510 1HB ASP 71 1HB ASP 71 4.037 -3.445 -3.445 511 2HB ASP 71 2HB ASP 71 5.280 -3.518 -3.518 512 H ILE 72 H ILE 72 1.940 -4.470 -4.470 513 HA ILE 72 HA ILE 72 2.139 -3.930 -3.930 514 HB ILE 72 HB ILE 72 -0.268 -4.394 -4.394 515 1HG1 ILE 72 2HG1 ILE 72 0.656 -1.756 -1.756 516 2HG1 ILE 72 1HG1 ILE 72 1.353 -2.343 -2.343 517 1HG2 ILE 72 3HG2 ILE 72 -0.142 -3.404 -3.404 518 2HG2 ILE 72 2HG2 ILE 72 -1.570 -3.266 -3.266 519 3HG2 ILE 72 1HG2 ILE 72 -0.978 -4.858 -4.858 520 1HD1 ILE 72 1HD1 ILE 72 -0.927 -2.540 -2.540 521 2HD1 ILE 72 3HD1 ILE 72 -1.594 -1.787 -1.787 522 3HD1 ILE 72 2HD1 ILE 72 -0.457 -0.890 -0.890 523 H ALA 73 H ALA 73 0.616 -6.646 -6.646 524 HA ALA 73 HA ALA 73 -0.268 -8.171 -8.171 525 1HB ALA 73 2HB ALA 73 -0.861 -8.643 -8.643 526 2HB ALA 73 3HB ALA 73 0.807 -9.142 -9.142 527 3HB ALA 73 1HB ALA 73 -0.185 -10.084 -10.084 528 H THR 74 H THR 74 2.967 -8.114 -8.114 529 HA THR 74 HA THR 74 4.064 -10.202 -10.202 530 HB THR 74 HB THR 74 5.545 -7.924 -7.924 531 HG1 THR 74 HG1 THR 74 4.209 -8.997 -8.997 532 1HG2 THR 74 1HG2 THR 74 6.385 -10.760 -10.760 533 2HG2 THR 74 3HG2 THR 74 7.366 -9.582 -9.582 534 3HG2 THR 74 2HG2 THR 74 6.943 -9.278 -9.278 535 H TYR 75 H TYR 75 4.468 -6.638 -6.638 536 HA TYR 75 HA TYR 75 5.969 -6.308 -6.308 537 1HB TYR 75 1HB TYR 75 5.464 -4.502 -4.502 538 2HB TYR 75 2HB TYR 75 3.733 -4.626 -4.626 539 HD1 TYR 75 HD1 TYR 75 6.963 -3.955 -3.955 540 HD2 TYR 75 HD2 TYR 75 2.727 -3.230 -3.230 541 HE1 TYR 75 HE1 TYR 75 7.166 -2.299 -2.299 542 HE2 TYR 75 HE2 TYR 75 2.938 -1.611 -1.611 543 HH TYR 75 HH TYR 75 4.277 -0.821 -0.821 544 H VAL 76 H VAL 76 2.334 -6.495 -6.495 545 HA VAL 76 HA VAL 76 2.155 -6.057 -6.057 546 HB VAL 76 HB VAL 76 0.058 -7.329 -7.329 547 1HG1 VAL 76 3HG1 VAL 76 0.092 -4.912 -4.912 548 2HG1 VAL 76 2HG1 VAL 76 0.388 -5.218 -5.218 549 3HG1 VAL 76 1HG1 VAL 76 -1.151 -5.701 -5.701 550 1HG2 VAL 76 1HG2 VAL 76 0.502 -8.989 -8.989 551 2HG2 VAL 76 3HG2 VAL 76 -0.966 -8.052 -8.052 552 3HG2 VAL 76 2HG2 VAL 76 0.501 -7.692 -7.692 553 H LYS 77 HN LYS 77 3.009 -9.062 -9.062 554 HA LYS 77 HA LYS 77 2.893 -10.622 -10.622 555 1HB LYS 77 1HB LYS 77 4.127 -11.463 -11.463 556 2HB LYS 77 2HB LYS 77 3.564 -12.476 -12.476 557 1HG LYS 77 2HG LYS 77 1.212 -11.535 -11.535 558 2HG LYS 77 1HG LYS 77 1.916 -10.855 -10.855 559 1HD LYS 77 2HD LYS 77 2.769 -13.247 -13.247 560 2HD LYS 77 1HD LYS 77 1.690 -13.778 -13.778 561 1HE LYS 77 2HE LYS 77 0.431 -14.048 -14.048 562 2HE LYS 77 1HE LYS 77 -0.197 -12.546 -12.546 563 1HZ LYS 77 1HZ LYS 77 1.805 -12.729 -12.729 564 2HZ LYS 77 3HZ LYS 77 0.216 -12.341 -12.341 565 3HZ LYS 77 2HZ LYS 77 1.216 -11.334 -11.334 566 H ASP 78 HN ASP 78 5.170 -8.530 -8.530 567 HA ASP 78 HA ASP 78 7.447 -9.604 -9.604 568 1HB ASP 78 2HB ASP 78 7.717 -8.945 -8.945 569 2HB ASP 78 1HB ASP 78 8.901 -9.705 -9.705 570 HA PRO 79 HA PRO 79 7.200 -4.898 -4.898 571 1HB PRO 79 2HB PRO 79 6.937 -4.203 -4.203 572 2HB PRO 79 1HB PRO 79 5.560 -4.500 -4.500 573 1HG PRO 79 1HG PRO 79 6.884 -6.434 -6.434 574 2HG PRO 79 2HG PRO 79 5.144 -6.070 -6.070 575 1HD PRO 79 2HD PRO 79 6.275 -8.250 -8.250 576 2HD PRO 79 1HD PRO 79 5.007 -7.303 -7.303 577 H GLY 80 H GLY 80 9.061 -3.736 -3.736 578 1HA GLY 80 1HA GLY 80 11.229 -3.205 -3.205 579 2HA GLY 80 2HA GLY 80 11.187 -4.521 -4.521 580 H ALA 81 H ALA 81 10.830 -6.784 -6.784 581 HA ALA 81 HA ALA 81 13.266 -7.405 -7.405 582 1HB ALA 81 2HB ALA 81 10.584 -8.808 -8.808 583 2HB ALA 81 1HB ALA 81 12.075 -9.518 -9.518 584 3HB ALA 81 3HB ALA 81 11.968 -9.109 -9.109 585 H PHE 82 H PHE 82 10.032 -6.694 -6.694 586 HA PHE 82 HA PHE 82 10.466 -6.866 -6.866 587 1HB PHE 82 2HB PHE 82 8.314 -6.267 -6.267 588 2HB PHE 82 1HB PHE 82 9.010 -4.742 -4.742 589 HD1 PHE 82 HD2 PHE 82 7.911 -6.750 -6.750 590 HD2 PHE 82 HD1 PHE 82 9.065 -2.853 -2.853 591 HE1 PHE 82 HE2 PHE 82 7.184 -5.732 -5.732 592 HE2 PHE 82 HE1 PHE 82 8.418 -1.859 -1.859 593 HZ PHE 82 HZ PHE 82 7.437 -3.301 -3.301 594 H LEU 83 H LEU 83 11.336 -4.093 -4.093 595 HA LEU 83 HA LEU 83 12.340 -2.454 -2.454 596 1HB LEU 83 1HB LEU 83 12.559 -2.169 -2.169 597 2HB LEU 83 2HB LEU 83 13.145 -1.043 -1.043 598 HG LEU 83 HG LEU 83 10.573 -1.277 -1.277 599 1HD1 LEU 83 2HD2 LEU 83 9.896 -2.719 -2.719 600 2HD1 LEU 83 1HD2 LEU 83 10.445 -1.456 -1.456 601 3HD1 LEU 83 3HD2 LEU 83 9.084 -1.143 -1.143 602 1HD2 LEU 83 2HD1 LEU 83 11.809 0.832 0.832 603 2HD2 LEU 83 3HD1 LEU 83 10.178 0.885 0.885 604 3HD2 LEU 83 1HD1 LEU 83 11.562 0.591 0.591 605 H LYS 84 HN LYS 84 13.845 -4.176 -4.176 606 HA LYS 84 HA LYS 84 16.483 -3.882 -3.882 607 1HB LYS 84 1HB LYS 84 15.348 -6.528 -6.528 608 2HB LYS 84 2HB LYS 84 16.943 -5.858 -5.858 609 1HG LYS 84 2HG LYS 84 16.527 -4.148 -4.148 610 2HG LYS 84 1HG LYS 84 14.786 -4.253 -4.253 611 1HD LYS 84 1HD LYS 84 15.413 -5.201 -5.201 612 2HD LYS 84 2HD LYS 84 14.678 -6.399 -6.399 613 1HE LYS 84 1HE LYS 84 16.630 -7.318 -7.318 614 2HE LYS 84 2HE LYS 84 16.894 -7.368 -7.368 615 1HZ LYS 84 2HZ LYS 84 17.943 -5.316 -5.316 616 2HZ LYS 84 3HZ LYS 84 18.802 -6.567 -6.567 617 3HZ LYS 84 1HZ LYS 84 18.208 -5.386 -5.386 618 H GLU 85 HN GLU 85 14.147 -6.096 -6.096 619 HA GLU 85 HA GLU 85 16.108 -7.350 -7.350 620 1HB GLU 85 2HB GLU 85 14.023 -8.451 -8.451 621 2HB GLU 85 1HB GLU 85 13.066 -7.141 -7.141 622 1HG GLU 85 2HG GLU 85 13.965 -7.645 -7.645 623 2HG GLU 85 1HG GLU 85 14.969 -8.923 -8.923 624 H LYS 86 HN LYS 86 13.469 -4.970 -4.970 625 HA LYS 86 HA LYS 86 14.575 -4.550 -4.550 626 1HB LYS 86 1HB LYS 86 12.347 -3.094 -3.094 627 2HB LYS 86 2HB LYS 86 12.767 -2.937 -2.937 628 1HG LYS 86 2HG LYS 86 12.368 -5.443 -5.443 629 2HG LYS 86 1HG LYS 86 11.831 -5.471 -5.471 630 1HD LYS 86 1HD LYS 86 9.842 -5.339 -5.339 631 2HD LYS 86 2HD LYS 86 10.102 -3.758 -3.758 632 1HE LYS 86 1HE LYS 86 9.321 -3.534 -3.534 633 2HE LYS 86 2HE LYS 86 10.957 -2.885 -2.885 634 1HZ LYS 86 2HZ LYS 86 10.225 -5.554 -5.554 635 2HZ LYS 86 1HZ LYS 86 10.649 -4.265 -4.265 636 3HZ LYS 86 3HZ LYS 86 11.759 -4.949 -4.949 637 H LEU 87 H LEU 87 14.370 -2.413 -2.413 638 HA LEU 87 HA LEU 87 15.633 -0.198 -0.198 639 1HB LEU 87 1HB LEU 87 13.949 0.152 0.152 640 2HB LEU 87 2HB LEU 87 15.045 -0.629 -0.629 641 HG LEU 87 HG LEU 87 16.729 1.178 1.178 642 1HD1 LEU 87 2HD1 LEU 87 14.462 2.510 2.510 643 2HD1 LEU 87 1HD1 LEU 87 15.968 3.292 3.292 644 3HD1 LEU 87 3HD1 LEU 87 16.023 1.993 1.993 645 1HD2 LEU 87 1HD2 LEU 87 15.147 1.207 1.207 646 2HD2 LEU 87 3HD2 LEU 87 15.546 2.838 2.838 647 3HD2 LEU 87 2HD2 LEU 87 13.981 2.106 2.106 648 H ASP 88 HN ASP 88 16.502 -2.675 -2.675 649 HA ASP 88 HA ASP 88 18.492 -3.410 -3.410 650 1HB ASP 88 1HB ASP 88 18.780 -4.113 -4.113 651 2HB ASP 88 2HB ASP 88 19.505 -2.548 -2.548 652 H ASP 89 HN ASP 89 18.115 -1.565 -1.565 653 HA ASP 89 HA ASP 89 20.508 0.191 0.191 654 1HB ASP 89 2HB ASP 89 18.891 1.715 1.715 655 2HB ASP 89 1HB ASP 89 17.580 0.867 0.867 656 H LYS 90 HN LYS 90 21.306 0.342 0.342 657 HA LYS 90 HA LYS 90 21.068 -1.844 -1.844 658 1HB LYS 90 2HB LYS 90 23.038 -0.378 -0.378 659 2HB LYS 90 1HB LYS 90 22.087 0.997 0.997 660 1HG LYS 90 1HG LYS 90 23.504 0.103 0.103 661 2HG LYS 90 2HG LYS 90 21.802 -0.066 -0.066 662 1HD LYS 90 2HD LYS 90 21.847 -2.459 -2.459 663 2HD LYS 90 1HD LYS 90 23.507 -2.303 -2.303 664 1HE LYS 90 2HE LYS 90 24.286 -1.676 -1.676 665 2HE LYS 90 1HE LYS 90 22.624 -1.815 -1.815 666 1HZ LYS 90 2HZ LYS 90 22.666 -4.124 -4.124 667 2HZ LYS 90 3HZ LYS 90 24.209 -3.993 -3.993 668 3HZ LYS 90 1HZ LYS 90 23.897 -3.773 -3.773 669 H LYS 91 HN LYS 91 19.439 1.319 1.319 670 HA LYS 91 HA LYS 91 17.798 0.547 0.547 671 1HB LYS 91 1HB LYS 91 17.271 2.938 2.938 672 2HB LYS 91 2HB LYS 91 18.953 2.500 2.500 673 1HG LYS 91 1HG LYS 91 19.613 3.320 3.320 674 2HG LYS 91 2HG LYS 91 17.945 3.768 3.768 675 1HD LYS 91 1HD LYS 91 19.168 4.876 4.876 676 2HD LYS 91 2HD LYS 91 19.801 5.465 5.465 677 1HE LYS 91 2HE LYS 91 18.031 6.941 6.941 678 2HE LYS 91 1HE LYS 91 17.617 6.205 6.205 679 1HZ LYS 91 3HZ LYS 91 16.658 5.290 5.290 680 2HZ LYS 91 2HZ LYS 91 15.803 6.220 6.220 681 3HZ LYS 91 1HZ LYS 91 16.217 4.669 4.669 682 H ALA 92 H ALA 92 17.382 -0.603 -0.603 683 HA ALA 92 HA ALA 92 15.024 0.605 0.605 684 1HB ALA 92 2HB ALA 92 16.283 -2.146 -2.146 685 2HB ALA 92 1HB ALA 92 14.933 -1.590 -1.590 686 3HB ALA 92 3HB ALA 92 16.484 -0.784 -0.784 687 H LYS 93 HN LYS 93 14.101 0.832 0.832 688 HA LYS 93 HA LYS 93 12.459 -1.585 -1.585 689 1HB LYS 93 2HB LYS 93 13.087 0.753 0.753 690 2HB LYS 93 1HB LYS 93 12.513 -0.858 -0.858 691 1HG LYS 93 1HG LYS 93 15.276 -0.111 -0.111 692 2HG LYS 93 2HG LYS 93 14.874 -0.494 -0.494 693 1HD LYS 93 2HD LYS 93 14.673 -2.786 -2.786 694 2HD LYS 93 1HD LYS 93 14.292 -2.593 -2.593 695 1HE LYS 93 2HE LYS 93 16.555 -3.514 -3.514 696 2HE LYS 93 1HE LYS 93 16.557 -1.965 -1.965 697 1HZ LYS 93 1HZ LYS 93 17.115 -0.937 -0.937 698 2HZ LYS 93 2HZ LYS 93 17.273 -2.433 -2.433 699 3HZ LYS 93 3HZ LYS 93 18.261 -1.967 -1.967 700 H THR 94 H THR 94 10.344 -0.687 -0.687 701 HA THR 94 HA THR 94 9.197 1.661 1.661 702 HB THR 94 HB THR 94 8.470 0.019 0.019 703 HG1 THR 94 HG1 THR 94 6.267 -0.087 -0.087 704 1HG2 THR 94 2HG2 THR 94 7.795 -1.820 -1.820 705 2HG2 THR 94 1HG2 THR 94 7.424 -2.128 -2.128 706 3HG2 THR 94 3HG2 THR 94 9.109 -2.063 -2.063 707 H GLY 95 H GLY 95 7.524 2.461 2.461 708 1HA GLY 95 1HA GLY 95 7.709 1.837 1.837 709 2HA GLY 95 2HA GLY 95 6.480 2.842 2.842 710 H MET 96 H MET 96 6.047 0.282 0.282 711 HA MET 96 HA MET 96 3.742 -0.617 -0.617 712 1HB MET 96 2HB MET 96 4.299 -0.430 -0.430 713 2HB MET 96 1HB MET 96 5.259 -1.894 -1.894 714 1HG MET 96 1HG MET 96 3.444 -3.271 -3.271 715 2HG MET 96 2HG MET 96 2.450 -2.022 -2.022 716 1HE MET 96 1HE MET 96 3.144 -4.123 -4.123 717 2HE MET 96 2HE MET 96 1.472 -4.249 -4.249 718 3HE MET 96 3HE MET 96 1.781 -3.618 -3.618 719 H ALA 97 H ALA 97 4.779 -1.203 -1.203 720 HA ALA 97 HA ALA 97 6.049 -3.807 -3.807 721 1HB ALA 97 3HB ALA 97 6.392 -2.012 -2.012 722 2HB ALA 97 1HB ALA 97 4.670 -2.063 -2.063 723 3HB ALA 97 2HB ALA 97 5.715 -3.463 -3.463 724 H PHE 98 H PHE 98 4.136 -4.472 -4.472 725 HA PHE 98 HA PHE 98 2.363 -6.287 -6.287 726 1HB PHE 98 2HB PHE 98 0.932 -4.364 -4.364 727 2HB PHE 98 1HB PHE 98 1.383 -3.808 -3.808 728 HD1 PHE 98 HD1 PHE 98 -0.706 -6.273 -6.273 729 HD2 PHE 98 HD2 PHE 98 0.433 -4.738 -4.738 730 HE1 PHE 98 HE1 PHE 98 -2.573 -7.517 -7.517 731 HE2 PHE 98 HE2 PHE 98 -1.419 -6.004 -6.004 732 HZ PHE 98 HZ PHE 98 -2.938 -7.381 -7.381 733 H LYS 99 HN LYS 99 1.838 -7.996 -7.996 734 HA LYS 99 HA LYS 99 2.525 -7.658 -7.658 735 1HB LYS 99 2HB LYS 99 2.991 -10.328 -10.328 736 2HB LYS 99 1HB LYS 99 3.554 -9.716 -9.716 737 1HG LYS 99 2HG LYS 99 5.030 -8.102 -8.102 738 2HG LYS 99 1HG LYS 99 4.582 -9.011 -9.011 739 1HD LYS 99 2HD LYS 99 5.462 -11.099 -11.099 740 2HD LYS 99 1HD LYS 99 5.832 -10.236 -10.236 741 1HE LYS 99 1HE LYS 99 7.869 -10.534 -10.534 742 2HE LYS 99 2HE LYS 99 7.479 -8.812 -8.812 743 1HZ LYS 99 1HZ LYS 99 6.894 -10.556 -10.556 744 2HZ LYS 99 3HZ LYS 99 8.125 -9.464 -9.464 745 3HZ LYS 99 2HZ LYS 99 6.564 -8.943 -8.943 746 H LEU 100 H LEU 100 1.304 -9.328 -9.328 747 HA LEU 100 HA LEU 100 -1.350 -9.927 -9.927 748 1HB LEU 100 2HB LEU 100 -1.365 -8.323 -8.323 749 2HB LEU 100 1HB LEU 100 -0.633 -9.621 -9.621 750 HG LEU 100 HG LEU 100 -2.760 -10.986 -10.986 751 1HD1 LEU 100 2HD1 LEU 100 -3.628 -8.915 -8.915 752 2HD1 LEU 100 3HD1 LEU 100 -3.757 -8.145 -8.145 753 3HD1 LEU 100 1HD1 LEU 100 -4.749 -9.566 -9.566 754 1HD2 LEU 100 3HD2 LEU 100 -2.777 -9.394 -9.394 755 2HD2 LEU 100 2HD2 LEU 100 -2.131 -11.043 -11.043 756 3HD2 LEU 100 1HD2 LEU 100 -3.879 -10.734 -10.734 757 H ALA 101 H ALA 101 -2.004 -12.035 -12.035 758 HA ALA 101 HA ALA 101 0.289 -13.942 -13.942 759 1HB ALA 101 3HB ALA 101 -0.610 -13.751 -13.751 760 2HB ALA 101 1HB ALA 101 -2.242 -14.141 -14.141 761 3HB ALA 101 2HB ALA 101 -0.930 -15.359 -15.359 762 H LYS 102 HN LYS 102 -0.651 -13.065 -13.065 763 HA LYS 102 HA LYS 102 -1.003 -13.960 -13.960 764 1HB LYS 102 2HB LYS 102 -2.437 -16.365 -16.365 765 2HB LYS 102 1HB LYS 102 -1.979 -16.094 -16.094 766 1HG LYS 102 2HG LYS 102 0.419 -16.025 -16.025 767 2HG LYS 102 1HG LYS 102 -0.026 -16.383 -16.383 768 1HD LYS 102 1HD LYS 102 -1.128 -18.484 -18.484 769 2HD LYS 102 2HD LYS 102 -0.628 -18.174 -18.174 770 1HE LYS 102 2HE LYS 102 1.250 -18.559 -18.559 771 2HE LYS 102 1HE LYS 102 0.871 -19.780 -19.780 772 1HZ LYS 102 1HZ LYS 102 1.818 -18.332 -18.332 773 2HZ LYS 102 2HZ LYS 102 2.207 -17.216 -17.216 774 3HZ LYS 102 3HZ LYS 102 2.916 -18.701 -18.701 775 H GLY 103 H GLY 103 -2.824 -13.970 -13.970 776 1HA GLY 103 1HA GLY 103 -5.088 -13.502 -13.502 777 2HA GLY 103 2HA GLY 103 -5.324 -12.788 -12.788 778 H GLY 104 H GLY 104 -2.337 -11.732 -11.732 779 1HA GLY 104 1HA GLY 104 -2.829 -9.077 -9.077 780 2HA GLY 104 2HA GLY 104 -1.376 -9.950 -9.950 781 H GLU 105 HN GLU 105 -2.787 -11.753 -11.753 782 HA GLU 105 HA GLU 105 -2.834 -10.200 -10.200 783 1HB GLU 105 2HB GLU 105 -3.900 -12.347 -12.347 784 2HB GLU 105 1HB GLU 105 -2.231 -12.404 -12.404 785 1HG GLU 105 2HG GLU 105 -4.479 -13.256 -13.256 786 2HG GLU 105 1HG GLU 105 -3.892 -14.322 -14.322 787 H ASP 106 HN ASP 106 -5.412 -11.578 -11.578 788 HA ASP 106 HA ASP 106 -7.634 -10.692 -10.692 789 1HB ASP 106 1HB ASP 106 -7.471 -11.228 -11.228 790 2HB ASP 106 2HB ASP 106 -8.925 -11.153 -11.153 791 H VAL 107 H VAL 107 -5.953 -9.346 -9.346 792 HA VAL 107 HA VAL 107 -7.485 -6.954 -6.954 793 HB VAL 107 HB VAL 107 -4.616 -7.545 -7.545 794 1HG1 VAL 107 1HG1 VAL 107 -6.465 -5.243 -5.243 795 2HG1 VAL 107 3HG1 VAL 107 -4.996 -5.676 -5.676 796 3HG1 VAL 107 2HG1 VAL 107 -4.876 -5.125 -5.125 797 1HG2 VAL 107 1HG2 VAL 107 -6.375 -8.994 -8.994 798 2HG2 VAL 107 3HG2 VAL 107 -5.607 -7.907 -7.907 799 3HG2 VAL 107 2HG2 VAL 107 -7.223 -7.531 -7.531 800 H ALA 108 H ALA 108 -4.492 -7.641 -7.641 801 HA ALA 108 HA ALA 108 -4.150 -5.047 -5.047 802 1HB ALA 108 3HB ALA 108 -3.413 -7.756 -7.756 803 2HB ALA 108 2HB ALA 108 -2.847 -6.182 -6.182 804 3HB ALA 108 1HB ALA 108 -2.410 -6.733 -6.733 805 H ALA 109 H ALA 109 -6.046 -7.861 -7.861 806 HA ALA 109 HA ALA 109 -6.998 -6.582 -6.582 807 1HB ALA 109 1HB ALA 109 -7.213 -8.982 -8.982 808 2HB ALA 109 3HB ALA 109 -8.377 -8.707 -8.707 809 3HB ALA 109 2HB ALA 109 -8.792 -8.253 -8.253 810 H TYR 110 H TYR 110 -8.327 -6.615 -6.615 811 HA TYR 110 HA TYR 110 -10.630 -5.035 -5.035 812 1HB TYR 110 2HB TYR 110 -10.485 -6.173 -6.173 813 2HB TYR 110 1HB TYR 110 -8.981 -5.384 -5.384 814 HD1 TYR 110 HD2 TYR 110 -12.629 -4.793 -4.793 815 HD2 TYR 110 HD1 TYR 110 -8.932 -3.217 -3.217 816 HE1 TYR 110 HE2 TYR 110 -13.879 -2.998 -2.998 817 HE2 TYR 110 HE1 TYR 110 -10.183 -1.480 -1.480 818 HH TYR 110 HH TYR 110 -12.254 -0.636 -0.636 819 H LEU 111 H LEU 111 -7.317 -3.998 -3.998 820 HA LEU 111 HA LEU 111 -7.838 -1.220 -1.220 821 1HB LEU 111 1HB LEU 111 -5.286 -2.770 -2.770 822 2HB LEU 111 2HB LEU 111 -5.344 -1.009 -1.009 823 HG LEU 111 HG LEU 111 -6.428 -2.779 -2.779 824 1HD1 LEU 111 2HD2 LEU 111 -3.627 -1.644 -1.644 825 2HD1 LEU 111 3HD2 LEU 111 -4.269 -2.400 -2.400 826 3HD1 LEU 111 1HD2 LEU 111 -4.081 -3.360 -3.360 827 1HD2 LEU 111 2HD1 LEU 111 -5.542 0.141 0.141 828 2HD2 LEU 111 3HD1 LEU 111 -7.199 -0.447 -0.447 829 3HD2 LEU 111 1HD1 LEU 111 -5.977 -0.719 -0.719 830 H ALA 112 H ALA 112 -6.661 -3.359 -3.359 831 HA ALA 112 HA ALA 112 -6.567 -1.427 -1.427 832 1HB ALA 112 1HB ALA 112 -5.702 -3.725 -3.725 833 2HB ALA 112 2HB ALA 112 -7.362 -4.353 -4.353 834 3HB ALA 112 3HB ALA 112 -6.781 -3.289 -3.289 835 H SER 113 H SER 113 -9.352 -3.373 -3.373 836 HA SER 113 HA SER 113 -11.225 -2.324 -2.324 837 1HB SER 113 2HB SER 113 -11.516 -4.429 -4.429 838 2HB SER 113 1HB SER 113 -11.838 -3.406 -3.406 839 HG SER 113 HG SER 113 -13.477 -2.385 -2.385 840 H VAL 114 H VAL 114 -10.011 -1.075 -1.075 841 HA VAL 114 HA VAL 114 -12.130 0.789 0.789 842 HB VAL 114 HB VAL 114 -9.472 0.058 0.058 843 1HG1 VAL 114 2HG2 VAL 114 -10.554 2.811 2.811 844 2HG1 VAL 114 1HG2 VAL 114 -9.264 1.964 1.964 845 3HG1 VAL 114 3HG2 VAL 114 -8.998 2.404 2.404 846 1HG2 VAL 114 1HG1 VAL 114 -11.592 -0.823 -0.823 847 2HG2 VAL 114 3HG1 VAL 114 -10.692 0.108 0.108 848 3HG2 VAL 114 2HG1 VAL 114 -12.098 0.833 0.833 849 H VAL 115 H VAL 115 -9.009 1.042 1.042 850 HA VAL 115 HA VAL 115 -9.161 3.900 3.900 851 HB VAL 115 HB VAL 115 -7.093 2.826 2.826 852 1HG1 VAL 115 3HG2 VAL 115 -7.731 1.491 1.491 853 2HG1 VAL 115 2HG2 VAL 115 -6.107 1.666 1.666 854 3HG1 VAL 115 1HG2 VAL 115 -7.329 0.761 0.761 855 1HG2 VAL 115 2HG1 VAL 115 -7.319 5.030 5.030 856 2HG2 VAL 115 1HG1 VAL 115 -5.954 4.075 4.075 857 3HG2 VAL 115 3HG1 VAL 115 -7.436 4.195 4.195 858 H LYS 116 HN LYS 116 -11.299 4.280 4.280 859 HA LYS 116 HA LYS 116 -11.418 4.815 4.815 860 1HB LYS 116 1HB LYS 116 -13.679 4.146 4.146 861 2HB LYS 116 2HB LYS 116 -12.766 2.713 2.713 862 1HG LYS 116 2HG LYS 116 -14.218 4.315 4.315 863 2HG LYS 116 1HG LYS 116 -15.161 3.312 3.312 864 1HD LYS 116 2HD LYS 116 -14.197 1.298 1.298 865 2HD LYS 116 1HD LYS 116 -12.773 2.107 2.107 866 1HE LYS 116 2HE LYS 116 -14.218 1.349 1.349 867 2HE LYS 116 1HE LYS 116 -14.066 3.113 3.113 868 1HZ LYS 116 3HZ LYS 116 -16.329 1.581 1.581 869 2HZ LYS 116 2HZ LYS 116 -16.321 2.402 2.402 870 3HZ LYS 116 1HZ LYS 116 -16.194 3.225 3.225 871 HHA HEC 117 HHA HEM 117 3.031 2.713 2.713 872 HHB HEC 117 HHB HEM 117 -0.713 -1.814 -1.814 873 HHC HEC 117 HHC HEM 117 -2.731 -3.360 -3.360 874 HHD HEC 117 HHD HEM 117 1.569 0.718 0.718 875 1HMA HEC 117 1HMA HEM 117 1.487 0.441 0.441 876 2HMA HEC 117 2HMA HEM 117 1.419 -1.266 -1.266 877 3HMA HEC 117 3HMA HEM 117 -0.066 -0.286 -0.286 878 1HAA HEC 117 1HAA HEM 117 3.105 1.686 1.686 879 2HAA HEC 117 2HAA HEM 117 3.531 2.536 2.536 880 1HBA HEC 117 1HBA HEM 117 0.972 2.924 2.924 881 2HBA HEC 117 2HBA HEM 117 1.313 3.734 3.734 882 1HMB HEC 117 1HMB HEM 117 -2.256 -3.525 -3.525 883 2HMB HEC 117 2HMB HEM 117 -3.523 -2.313 -2.313 884 3HMB HEC 117 3HMB HEM 117 -3.707 -3.983 -3.983 885 HAB HEC 117 HAB HEM 117 -4.402 -2.472 -2.472 886 1HBB HEC 117 1HBB HEM 117 -6.232 -2.064 -2.064 887 2HBB HEC 117 2HBB HEM 117 -4.873 -1.269 -1.269 888 3HBB HEC 117 3HBB HEM 117 -5.465 -2.839 -2.839 889 1HMC HEC 117 1HMC HEM 117 -2.456 -3.922 -3.922 890 2HMC HEC 117 2HMC HEM 117 -3.268 -2.442 -2.442 891 3HMC HEC 117 3HMC HEM 117 -2.024 -3.194 -3.194 892 HAC HEC 117 HAC HEM 117 0.059 0.313 0.313 893 1HBC HEC 117 1HBC HEM 117 -0.055 -0.955 -0.955 894 2HBC HEC 117 2HBC HEM 117 0.974 -1.839 -1.839 895 3HBC HEC 117 3HBC HEM 117 -0.689 -2.379 -2.379 896 1HMD HEC 117 1HMD HEM 117 4.096 3.392 3.392 897 2HMD HEC 117 2HMD HEM 117 2.410 3.442 3.442 898 3HMD HEC 117 3HMD HEM 117 3.409 2.001 2.001 899 1HAD HEC 117 1HAD HEM 117 3.728 4.285 4.285 900 2HAD HEC 117 2HAD HEM 117 4.030 4.484 4.484 901 1HBD HEC 117 1HBD HEM 117 5.555 2.731 2.731 902 2HBD HEC 117 2HBD HEM 117 5.609 2.452 2.452 Start of MODEL 16 1 1H GLY 1 1H GLY 1 -4.950 -12.938 -12.938 2 2H GLY 1 2H GLY 1 -6.171 -12.827 -12.827 3 1HA GLY 1 1HA GLY 1 -6.139 -10.796 -10.796 4 2HA GLY 1 2HA GLY 1 -6.328 -11.887 -11.887 5 H ASP 2 HN ASP 2 -7.992 -12.904 -12.904 6 HA ASP 2 HA ASP 2 -10.594 -12.564 -12.564 7 1HB ASP 2 1HB ASP 2 -10.017 -14.634 -14.634 8 2HB ASP 2 2HB ASP 2 -9.891 -13.729 -13.729 9 H ALA 3 H ALA 3 -10.685 -10.300 -10.300 10 HA ALA 3 HA ALA 3 -10.370 -8.409 -8.409 11 1HB ALA 3 2HB ALA 3 -11.036 -7.934 -7.934 12 2HB ALA 3 1HB ALA 3 -12.671 -8.562 -8.562 13 3HB ALA 3 3HB ALA 3 -12.109 -7.088 -7.088 14 H ALA 4 H ALA 4 -13.101 -10.726 -10.726 15 HA ALA 4 HA ALA 4 -14.663 -9.242 -9.242 16 1HB ALA 4 2HB ALA 4 -15.671 -10.913 -10.913 17 2HB ALA 4 1HB ALA 4 -14.800 -12.208 -12.208 18 3HB ALA 4 3HB ALA 4 -16.005 -11.239 -11.239 19 H LYS 5 HN LYS 5 -12.354 -12.014 -12.014 20 HA LYS 5 HA LYS 5 -12.415 -12.202 -12.202 21 1HB LYS 5 1HB LYS 5 -10.276 -13.001 -13.001 22 2HB LYS 5 2HB LYS 5 -10.222 -13.360 -13.360 23 1HG LYS 5 1HG LYS 5 -12.323 -14.629 -14.629 24 2HG LYS 5 2HG LYS 5 -12.453 -14.276 -14.276 25 1HD LYS 5 1HD LYS 5 -10.281 -15.447 -15.447 26 2HD LYS 5 2HD LYS 5 -10.189 -15.831 -15.831 27 1HE LYS 5 1HE LYS 5 -12.303 -17.126 -17.126 28 2HE LYS 5 2HE LYS 5 -12.432 -16.698 -16.698 29 1HZ LYS 5 3HZ LYS 5 -10.392 -17.854 -17.854 30 2HZ LYS 5 1HZ LYS 5 -10.260 -18.260 -18.260 31 3HZ LYS 5 2HZ LYS 5 -11.502 -18.858 -18.858 32 H GLY 6 H GLY 6 -10.596 -10.273 -10.273 33 1HA GLY 6 1HA GLY 6 -8.738 -8.981 -8.981 34 2HA GLY 6 2HA GLY 6 -9.508 -8.267 -8.267 35 H GLU 7 HN GLU 7 -12.079 -7.934 -7.934 36 HA GLU 7 HA GLU 7 -12.286 -5.717 -5.717 37 1HB GLU 7 2HB GLU 7 -13.905 -6.292 -6.292 38 2HB GLU 7 1HB GLU 7 -14.473 -7.679 -7.679 39 1HG GLU 7 2HG GLU 7 -14.610 -4.839 -4.839 40 2HG GLU 7 1HG GLU 7 -15.883 -5.551 -5.551 41 H LYS 8 HN LYS 8 -13.267 -9.122 -9.122 42 HA LYS 8 HA LYS 8 -14.150 -8.758 -8.758 43 1HB LYS 8 2HB LYS 8 -12.794 -11.173 -11.173 44 2HB LYS 8 1HB LYS 8 -13.586 -11.168 -11.168 45 1HG LYS 8 1HG LYS 8 -15.725 -10.517 -10.517 46 2HG LYS 8 2HG LYS 8 -14.978 -10.404 -10.404 47 1HD LYS 8 2HD LYS 8 -14.376 -12.858 -12.858 48 2HD LYS 8 1HD LYS 8 -15.221 -12.924 -12.924 49 1HE LYS 8 1HE LYS 8 -16.696 -13.755 -13.755 50 2HE LYS 8 2HE LYS 8 -17.337 -12.218 -12.218 51 1HZ LYS 8 2HZ LYS 8 -15.744 -12.564 -12.564 52 2HZ LYS 8 3HZ LYS 8 -17.379 -12.358 -12.358 53 3HZ LYS 8 1HZ LYS 8 -16.376 -11.143 -11.143 54 H GLU 9 HN GLU 9 -10.856 -9.723 -9.723 55 HA GLU 9 HA GLU 9 -9.609 -9.690 -9.690 56 1HB GLU 9 1HB GLU 9 -8.574 -10.676 -10.676 57 2HB GLU 9 2HB GLU 9 -8.525 -9.119 -9.119 58 1HG GLU 9 2HG GLU 9 -6.316 -9.804 -9.804 59 2HG GLU 9 1HG GLU 9 -6.858 -8.251 -8.251 60 H PHE 10 H PHE 10 -10.173 -7.052 -7.052 61 HA PHE 10 HA PHE 10 -8.651 -5.112 -5.112 62 1HB PHE 10 1HB PHE 10 -10.153 -5.118 -5.118 63 2HB PHE 10 2HB PHE 10 -11.248 -4.232 -4.232 64 HD1 PHE 10 HD1 PHE 10 -10.278 -2.062 -2.062 65 HD2 PHE 10 HD2 PHE 10 -8.240 -4.187 -4.187 66 HE1 PHE 10 HE1 PHE 10 -8.716 -0.140 -0.140 67 HE2 PHE 10 HE2 PHE 10 -6.770 -2.216 -2.216 68 HZ PHE 10 HZ PHE 10 -7.052 -0.174 -0.174 69 H ASN 11 H ASN 11 -11.688 -6.426 -6.426 70 HA ASN 11 HA ASN 11 -12.460 -4.185 -4.185 71 1HB ASN 11 1HB ASN 11 -12.989 -7.153 -7.153 72 2HB ASN 11 2HB ASN 11 -13.638 -5.864 -5.864 73 1HD2 ASN 11 2HD2 ASN 11 -15.010 -6.162 -6.162 74 2HD2 ASN 11 1HD2 ASN 11 -13.529 -6.970 -6.970 75 H LYS 12 HN LYS 12 -9.918 -6.625 -6.625 76 HA LYS 12 HA LYS 12 -9.350 -5.635 -5.635 77 1HB LYS 12 1HB LYS 12 -8.193 -7.888 -7.888 78 2HB LYS 12 2HB LYS 12 -7.657 -7.464 -7.464 79 1HG LYS 12 1HG LYS 12 -9.481 -8.290 -8.290 80 2HG LYS 12 2HG LYS 12 -10.612 -7.876 -7.876 81 1HD LYS 12 2HD LYS 12 -8.632 -10.205 -10.205 82 2HD LYS 12 1HD LYS 12 -10.351 -10.333 -10.333 83 1HE LYS 12 2HE LYS 12 -9.151 -9.525 -9.525 84 2HE LYS 12 1HE LYS 12 -10.027 -10.998 -10.998 85 1HZ LYS 12 1HZ LYS 12 -11.165 -8.301 -8.301 86 2HZ LYS 12 2HZ LYS 12 -11.409 -9.392 -9.392 87 3HZ LYS 12 3HZ LYS 12 -11.980 -9.697 -9.697 88 H CYS 13 H CYS 13 -7.858 -5.994 -5.994 89 HA CYS 13 HA CYS 13 -5.284 -4.832 -4.832 90 1HB CYS 13 2HB CYS 13 -6.237 -6.209 -6.209 91 2HB CYS 13 1HB CYS 13 -6.744 -4.632 -4.632 92 H LYS 14 HN LYS 14 -8.391 -3.317 -3.317 93 HA LYS 14 HA LYS 14 -7.912 -0.674 -0.674 94 1HB LYS 14 1HB LYS 14 -10.175 -1.436 -1.436 95 2HB LYS 14 2HB LYS 14 -9.912 -2.313 -2.313 96 1HG LYS 14 2HG LYS 14 -9.941 -0.234 -0.234 97 2HG LYS 14 1HG LYS 14 -10.201 0.689 0.689 98 1HD LYS 14 2HD LYS 14 -12.293 -0.805 -0.805 99 2HD LYS 14 1HD LYS 14 -11.992 -1.460 -1.460 100 1HE LYS 14 2HE LYS 14 -12.463 1.494 1.494 101 2HE LYS 14 1HE LYS 14 -13.686 0.384 0.384 102 1HZ LYS 14 2HZ LYS 14 -11.174 1.052 1.052 103 2HZ LYS 14 3HZ LYS 14 -12.622 1.751 1.751 104 3HZ LYS 14 1HZ LYS 14 -12.404 0.137 0.137 105 H THR 15 H THR 15 -7.360 -2.321 -2.321 106 HA THR 15 HA THR 15 -7.839 -0.629 -0.629 107 HB THR 15 HB THR 15 -5.319 -2.283 -2.283 108 HG1 THR 15 HG1 THR 15 -7.190 -3.501 -3.501 109 1HG2 THR 15 2HG2 THR 15 -6.437 -1.037 -1.037 110 2HG2 THR 15 1HG2 THR 15 -5.191 -2.300 -2.300 111 3HG2 THR 15 3HG2 THR 15 -4.848 -0.700 -0.700 112 H CYS 16 H CYS 16 -5.075 -0.203 -0.203 113 HA CYS 16 HA CYS 16 -4.279 2.264 2.264 114 1HB CYS 16 1HB CYS 16 -2.772 0.547 0.547 115 2HB CYS 16 2HB CYS 16 -2.144 2.033 2.033 116 H HIS 17 HN HIS 17 -5.723 1.196 1.196 117 HA HIS 17 HA HIS 17 -4.739 3.700 3.700 118 1HB HIS 17 2HB HIS 17 -5.501 1.004 1.004 119 2HB HIS 17 1HB HIS 17 -5.316 2.409 2.409 120 HD1 HIS 17 HD1 HIS 17 -3.080 3.513 3.513 121 HD2 HIS 17 HD2 HIS 17 -2.822 0.096 0.096 122 HE1 HIS 17 HE1 HIS 17 -0.678 2.743 2.743 123 H SER 18 H SER 18 -6.426 3.896 3.896 124 HA SER 18 HA SER 18 -9.195 3.889 3.889 125 1HB SER 18 1HB SER 18 -7.596 6.489 6.489 126 2HB SER 18 2HB SER 18 -9.349 6.428 6.428 127 HG SER 18 HG SER 18 -8.023 5.264 5.264 128 H ILE 19 H ILE 19 -10.530 4.802 4.802 129 HA ILE 19 HA ILE 19 -9.254 5.030 5.030 130 HB ILE 19 HB ILE 19 -11.211 2.870 2.870 131 1HG1 ILE 19 1HG1 ILE 19 -8.914 2.885 2.885 132 2HG1 ILE 19 2HG1 ILE 19 -8.686 2.519 2.519 133 1HG2 ILE 19 1HG2 ILE 19 -11.033 4.258 4.258 134 2HG2 ILE 19 3HG2 ILE 19 -11.704 2.627 2.627 135 3HG2 ILE 19 2HG2 ILE 19 -12.473 3.985 3.985 136 1HD1 ILE 19 3HD1 ILE 19 -10.308 0.639 0.639 137 2HD1 ILE 19 1HD1 ILE 19 -10.396 0.902 0.902 138 3HD1 ILE 19 2HD1 ILE 19 -8.866 0.447 0.447 139 H ILE 20 H ILE 20 -10.051 6.762 6.762 140 HA ILE 20 HA ILE 20 -12.617 7.947 7.947 141 HB ILE 20 HB ILE 20 -10.354 9.201 9.201 142 1HG1 ILE 20 1HG1 ILE 20 -11.266 11.380 11.380 143 2HG1 ILE 20 2HG1 ILE 20 -12.653 10.529 10.529 144 1HG2 ILE 20 2HG2 ILE 20 -9.457 8.653 8.653 145 2HG2 ILE 20 3HG2 ILE 20 -10.670 9.767 9.767 146 3HG2 ILE 20 1HG2 ILE 20 -9.431 10.371 10.371 147 1HD1 ILE 20 3HD1 ILE 20 -11.820 10.073 10.073 148 2HD1 ILE 20 1HD1 ILE 20 -12.822 11.461 11.461 149 3HD1 ILE 20 2HD1 ILE 20 -13.399 9.820 9.820 150 H ALA 21 H ALA 21 -14.274 8.167 8.167 151 HA ALA 21 HA ALA 21 -13.713 6.999 6.999 152 1HB ALA 21 2HB ALA 21 -16.184 8.340 8.340 153 2HB ALA 21 3HB ALA 21 -16.078 7.648 7.648 154 3HB ALA 21 1HB ALA 21 -15.885 6.598 6.598 155 HA PRO 22 HA PRO 22 -12.354 10.668 10.668 156 1HB PRO 22 1HB PRO 22 -14.730 10.465 10.465 157 2HB PRO 22 2HB PRO 22 -13.015 10.765 10.765 158 1HG PRO 22 1HG PRO 22 -14.022 8.278 8.278 159 2HG PRO 22 2HG PRO 22 -12.444 8.482 8.482 160 1HD PRO 22 1HD PRO 22 -15.163 8.109 8.109 161 2HD PRO 22 2HD PRO 22 -13.640 7.256 7.256 162 H ASP 23 HN ASP 23 -15.858 10.566 10.566 163 HA ASP 23 HA ASP 23 -16.340 13.386 13.386 164 1HB ASP 23 1HB ASP 23 -18.543 12.638 12.638 165 2HB ASP 23 2HB ASP 23 -18.103 11.826 11.826 166 H GLY 24 H GLY 24 -14.671 11.564 11.564 167 1HA GLY 24 1HA GLY 24 -13.774 12.577 12.577 168 2HA GLY 24 2HA GLY 24 -15.095 13.732 13.732 169 H THR 25 H THR 25 -16.729 10.834 10.834 170 HA THR 25 HA THR 25 -17.433 10.711 10.711 171 HB THR 25 HB THR 25 -18.013 8.682 8.682 172 HG1 THR 25 HG1 THR 25 -18.814 10.657 10.657 173 1HG2 THR 25 3HG2 THR 25 -19.422 9.300 9.300 174 2HG2 THR 25 2HG2 THR 25 -19.972 8.150 8.150 175 3HG2 THR 25 1HG2 THR 25 -18.478 7.832 7.832 176 H GLU 26 HN GLU 26 -16.384 9.668 9.668 177 HA GLU 26 HA GLU 26 -14.029 8.036 8.036 178 1HB GLU 26 2HB GLU 26 -15.516 8.464 8.464 179 2HB GLU 26 1HB GLU 26 -13.831 7.975 7.975 180 1HG GLU 26 1HG GLU 26 -13.511 10.275 10.275 181 2HG GLU 26 2HG GLU 26 -15.093 10.714 10.714 182 H ILE 27 H ILE 27 -14.562 6.074 6.074 183 HA ILE 27 HA ILE 27 -16.810 4.453 4.453 184 HB ILE 27 HB ILE 27 -14.555 3.954 3.954 185 1HG1 ILE 27 1HG1 ILE 27 -16.388 3.747 3.747 186 2HG1 ILE 27 2HG1 ILE 27 -17.603 3.898 3.898 187 1HG2 ILE 27 2HG2 ILE 27 -16.759 2.008 2.008 188 2HG2 ILE 27 1HG2 ILE 27 -15.673 1.783 1.783 189 3HG2 ILE 27 3HG2 ILE 27 -15.027 1.769 1.769 190 1HD1 ILE 27 2HD1 ILE 27 -15.666 6.087 6.087 191 2HD1 ILE 27 3HD1 ILE 27 -17.338 5.934 5.934 192 3HD1 ILE 27 1HD1 ILE 27 -17.063 6.227 6.227 193 H VAL 28 H VAL 28 -13.234 4.466 4.466 194 HA VAL 28 HA VAL 28 -13.585 2.581 2.581 195 HB VAL 28 HB VAL 28 -11.117 2.657 2.657 196 1HG1 VAL 28 3HG2 VAL 28 -11.984 0.916 0.916 197 2HG1 VAL 28 1HG2 VAL 28 -10.539 0.649 0.649 198 3HG1 VAL 28 2HG2 VAL 28 -10.656 2.100 2.100 199 1HG2 VAL 28 1HG1 VAL 28 -13.403 0.636 0.636 200 2HG2 VAL 28 2HG1 VAL 28 -12.893 1.571 1.571 201 3HG2 VAL 28 3HG1 VAL 28 -11.832 0.324 0.324 202 H LYS 29 HN LYS 29 -13.107 3.439 3.439 203 HA LYS 29 HA LYS 29 -11.228 5.744 5.744 204 1HB LYS 29 1HB LYS 29 -13.806 5.090 5.090 205 2HB LYS 29 2HB LYS 29 -12.639 6.347 6.347 206 1HG LYS 29 2HG LYS 29 -13.061 7.523 7.523 207 2HG LYS 29 1HG LYS 29 -14.162 6.237 6.237 208 1HD LYS 29 1HD LYS 29 -15.424 8.170 8.170 209 2HD LYS 29 2HD LYS 29 -15.716 6.703 6.703 210 1HE LYS 29 1HE LYS 29 -15.480 8.746 8.746 211 2HE LYS 29 2HE LYS 29 -14.299 7.507 7.507 212 1HZ LYS 29 2HZ LYS 29 -13.799 9.843 9.843 213 2HZ LYS 29 1HZ LYS 29 -13.331 9.689 9.689 214 3HZ LYS 29 3HZ LYS 29 -12.681 8.707 8.707 215 H GLY 30 H GLY 30 -9.443 4.166 4.166 216 1HA GLY 30 1HA GLY 30 -9.725 2.517 2.517 217 2HA GLY 30 2HA GLY 30 -8.310 2.643 2.643 218 H ALA 31 H ALA 31 -7.306 3.004 3.004 219 HA ALA 31 HA ALA 31 -7.737 5.681 5.681 220 1HB ALA 31 3HB ALA 31 -7.328 3.691 3.691 221 2HB ALA 31 2HB ALA 31 -5.715 3.512 3.512 222 3HB ALA 31 1HB ALA 31 -6.102 4.949 4.949 223 H LYS 32 HN LYS 32 -7.059 5.973 5.973 224 HA LYS 32 HA LYS 32 -5.264 6.328 6.328 225 1HB LYS 32 2HB LYS 32 -6.058 8.754 8.754 226 2HB LYS 32 1HB LYS 32 -5.159 8.861 8.861 227 1HG LYS 32 2HG LYS 32 -6.911 7.740 7.740 228 2HG LYS 32 1HG LYS 32 -7.853 7.459 7.459 229 1HD LYS 32 2HD LYS 32 -8.224 9.826 9.826 230 2HD LYS 32 1HD LYS 32 -7.097 10.240 10.240 231 1HE LYS 32 1HE LYS 32 -9.485 10.431 10.431 232 2HE LYS 32 2HE LYS 32 -8.568 9.289 9.289 233 1HZ LYS 32 1HZ LYS 32 -10.284 8.501 8.501 234 2HZ LYS 32 3HZ LYS 32 -10.751 8.507 8.507 235 3HZ LYS 32 2HZ LYS 32 -9.538 7.501 7.501 236 H THR 33 H THR 33 -3.720 4.912 4.912 237 HA THR 33 HA THR 33 -1.452 6.444 6.444 238 HB THR 33 HB THR 33 -1.337 3.484 3.484 239 HG1 THR 33 HG1 THR 33 -3.352 4.819 4.819 240 1HG2 THR 33 1HG2 THR 33 0.339 4.801 4.801 241 2HG2 THR 33 3HG2 THR 33 -0.945 5.385 5.385 242 3HG2 THR 33 2HG2 THR 33 -0.535 3.658 3.658 243 H GLY 34 H GLY 34 -2.469 4.556 4.556 244 1HA GLY 34 1HA GLY 34 0.193 4.978 4.978 245 2HA GLY 34 2HA GLY 34 -0.938 3.671 3.671 246 HA PRO 35 HA PRO 35 -1.728 7.764 7.764 247 1HB PRO 35 2HB PRO 35 -0.829 6.934 6.934 248 2HB PRO 35 1HB PRO 35 0.231 7.700 7.700 249 1HG PRO 35 1HG PRO 35 -0.164 4.734 4.734 250 2HG PRO 35 2HG PRO 35 1.374 5.636 5.636 251 1HD PRO 35 2HD PRO 35 0.497 4.371 4.371 252 2HD PRO 35 1HD PRO 35 1.119 6.025 6.025 253 H ASN 36 H ASN 36 -3.738 7.961 7.961 254 HA ASN 36 HA ASN 36 -5.502 5.833 5.833 255 1HB ASN 36 1HB ASN 36 -6.115 8.231 8.231 256 2HB ASN 36 2HB ASN 36 -5.582 8.425 8.425 257 1HD2 ASN 36 2HD2 ASN 36 -9.241 7.682 7.682 258 2HD2 ASN 36 1HD2 ASN 36 -8.295 8.473 8.473 259 H LEU 37 H LEU 37 -5.586 4.189 4.189 260 HA LEU 37 HA LEU 37 -3.593 3.995 3.995 261 1HB LEU 37 2HB LEU 37 -5.631 1.971 1.971 262 2HB LEU 37 1HB LEU 37 -4.322 1.642 1.642 263 HG LEU 37 HG LEU 37 -3.979 2.506 2.506 264 1HD1 LEU 37 1HD1 LEU 37 -4.769 0.178 0.178 265 2HD1 LEU 37 2HD1 LEU 37 -3.359 -0.142 -0.142 266 3HD1 LEU 37 3HD1 LEU 37 -3.141 0.246 0.246 267 1HD2 LEU 37 1HD2 LEU 37 -1.924 1.883 1.883 268 2HD2 LEU 37 2HD2 LEU 37 -2.060 3.376 3.376 269 3HD2 LEU 37 3HD2 LEU 37 -1.536 1.876 1.876 270 H TYR 38 H TYR 38 -6.690 5.328 5.328 271 HA TYR 38 HA TYR 38 -7.647 4.082 4.082 272 1HB TYR 38 1HB TYR 38 -8.984 5.460 5.460 273 2HB TYR 38 2HB TYR 38 -8.169 6.908 6.908 274 HD1 TYR 38 HD2 TYR 38 -10.244 3.972 3.972 275 HD2 TYR 38 HD1 TYR 38 -8.891 7.912 7.912 276 HE1 TYR 38 HE2 TYR 38 -11.878 4.025 4.025 277 HE2 TYR 38 HE1 TYR 38 -10.228 7.779 7.779 278 HH TYR 38 HH TYR 38 -11.620 6.327 6.327 279 H GLY 39 H GLY 39 -5.736 3.886 3.886 280 1HA GLY 39 1HA GLY 39 -5.300 4.649 4.649 281 2HA GLY 39 2HA GLY 39 -5.089 6.281 6.281 282 H VAL 40 H VAL 40 -3.817 3.634 3.634 283 HA VAL 40 HA VAL 40 -1.167 4.628 4.628 284 HB VAL 40 HB VAL 40 -1.641 3.443 3.443 285 1HG1 VAL 40 2HG1 VAL 40 -1.978 0.907 0.907 286 2HG1 VAL 40 3HG1 VAL 40 -1.897 0.998 0.998 287 3HG1 VAL 40 1HG1 VAL 40 -3.266 1.722 1.722 288 1HG2 VAL 40 2HG2 VAL 40 0.675 3.399 3.399 289 2HG2 VAL 40 3HG2 VAL 40 0.343 2.020 2.020 290 3HG2 VAL 40 1HG2 VAL 40 0.321 1.799 1.799 291 H VAL 41 H VAL 41 -2.872 1.823 1.823 292 HA VAL 41 HA VAL 41 -0.542 0.985 0.985 293 HB VAL 41 HB VAL 41 -2.594 -0.378 -0.378 294 1HG1 VAL 41 1HG1 VAL 41 -4.276 1.277 1.277 295 2HG1 VAL 41 3HG1 VAL 41 -3.632 1.011 1.011 296 3HG1 VAL 41 2HG1 VAL 41 -4.371 -0.331 -0.331 297 1HG2 VAL 41 1HG2 VAL 41 -0.753 -1.058 -1.058 298 2HG2 VAL 41 2HG2 VAL 41 -2.304 -1.617 -1.617 299 3HG2 VAL 41 3HG2 VAL 41 -1.480 -0.223 -0.223 300 H GLY 42 H GLY 42 0.563 1.938 1.938 301 1HA GLY 42 1HA GLY 42 0.877 2.975 2.975 302 2HA GLY 42 2HA GLY 42 -0.620 3.894 3.894 303 H ARG 43 HN ARG 43 0.169 4.405 4.405 304 HA ARG 43 HA ARG 43 1.535 6.912 6.912 305 1HB ARG 43 2HB ARG 43 -0.374 6.593 6.593 306 2HB ARG 43 1HB ARG 43 0.743 5.677 5.677 307 1HG ARG 43 2HG ARG 43 0.560 7.881 7.881 308 2HG ARG 43 1HG ARG 43 2.184 7.720 7.720 309 1HD ARG 43 2HD ARG 43 1.457 8.976 8.976 310 2HD ARG 43 1HD ARG 43 -0.196 9.050 9.050 311 HE ARG 43 HE ARG 43 1.695 10.126 10.126 312 1HH1 ARG 43 2HH2 ARG 43 0.253 10.921 10.921 313 2HH1 ARG 43 1HH2 ARG 43 0.418 12.643 12.643 314 1HH2 ARG 43 1HH1 ARG 43 1.843 12.298 12.298 315 2HH2 ARG 43 2HH1 ARG 43 1.381 13.464 13.464 316 H THR 44 H THR 44 3.559 7.533 7.533 317 HA THR 44 HA THR 44 5.547 5.391 5.391 318 HB THR 44 HB THR 44 5.807 8.371 8.371 319 HG1 THR 44 HG1 THR 44 5.129 7.492 7.492 320 1HG2 THR 44 2HG2 THR 44 7.909 6.213 6.213 321 2HG2 THR 44 1HG2 THR 44 8.214 7.960 7.960 322 3HG2 THR 44 3HG2 THR 44 7.718 7.174 7.174 323 H ALA 45 H ALA 45 6.463 4.435 4.435 324 HA ALA 45 HA ALA 45 5.067 4.525 4.525 325 1HB ALA 45 1HB ALA 45 6.610 2.710 2.710 326 2HB ALA 45 3HB ALA 45 7.995 3.813 3.813 327 3HB ALA 45 2HB ALA 45 6.995 3.347 3.347 328 H GLY 46 H GLY 46 5.405 5.593 5.593 329 1HA GLY 46 1HA GLY 46 5.962 7.304 7.304 330 2HA GLY 46 2HA GLY 46 7.453 7.490 7.490 331 H THR 47 H THR 47 4.401 7.889 7.889 332 HA THR 47 HA THR 47 4.612 10.856 10.856 333 HB THR 47 HB THR 47 4.525 11.274 11.274 334 HG1 THR 47 HG1 THR 47 4.415 8.465 8.465 335 1HG2 THR 47 1HG2 THR 47 6.790 10.889 10.889 336 2HG2 THR 47 3HG2 THR 47 6.707 9.196 9.196 337 3HG2 THR 47 2HG2 THR 47 6.676 10.500 10.500 338 H TYR 48 H TYR 48 2.324 8.407 8.407 339 HA TYR 48 HA TYR 48 0.193 9.659 9.659 340 1HB TYR 48 2HB TYR 48 0.048 7.343 7.343 341 2HB TYR 48 1HB TYR 48 -0.123 7.935 7.935 342 HD1 TYR 48 HD1 TYR 48 -2.108 9.306 9.306 343 HD2 TYR 48 HD2 TYR 48 -1.856 7.403 7.403 344 HE1 TYR 48 HE1 TYR 48 -4.494 9.781 9.781 345 HE2 TYR 48 HE2 TYR 48 -4.236 7.853 7.853 346 HH TYR 48 HH TYR 48 -6.233 8.433 8.433 347 HA PRO 49 HA PRO 49 0.164 13.489 13.489 348 1HB PRO 49 2HB PRO 49 -2.849 13.216 13.216 349 2HB PRO 49 1HB PRO 49 -1.858 14.690 14.690 350 1HG PRO 49 1HG PRO 49 -2.647 13.276 13.276 351 2HG PRO 49 2HG PRO 49 -0.944 13.813 13.813 352 1HD PRO 49 1HD PRO 49 -2.079 11.073 11.073 353 2HD PRO 49 2HD PRO 49 -0.574 11.552 11.552 354 H GLU 50 HN GLU 50 -0.264 14.581 14.581 355 HA GLU 50 HA GLU 50 -0.331 14.800 14.800 356 1HB GLU 50 2HB GLU 50 -3.039 13.453 13.453 357 2HB GLU 50 1HB GLU 50 -2.540 14.659 14.659 358 1HG GLU 50 2HG GLU 50 -3.001 15.062 15.062 359 2HG GLU 50 1HG GLU 50 -3.900 15.771 15.771 360 H PHE 51 H PHE 51 1.459 13.068 13.068 361 HA PHE 51 HA PHE 51 0.845 11.579 11.579 362 1HB PHE 51 1HB PHE 51 -0.001 10.036 10.036 363 2HB PHE 51 2HB PHE 51 1.658 9.921 9.921 364 HD1 PHE 51 HD2 PHE 51 -0.631 9.300 9.300 365 HD2 PHE 51 HD1 PHE 51 3.365 8.729 8.729 366 HE1 PHE 51 HE2 PHE 51 -0.118 7.825 7.825 367 HE2 PHE 51 HE1 PHE 51 3.878 7.255 7.255 368 HZ PHE 51 HZ PHE 51 2.092 6.707 6.707 369 H LYS 52 HN LYS 52 2.547 11.792 11.792 370 HA LYS 52 HA LYS 52 5.126 12.631 12.631 371 1HB LYS 52 2HB LYS 52 4.225 13.481 13.481 372 2HB LYS 52 1HB LYS 52 4.140 11.854 11.854 373 1HG LYS 52 1HG LYS 52 6.027 13.119 13.119 374 2HG LYS 52 2HG LYS 52 6.568 11.663 11.663 375 1HD LYS 52 2HD LYS 52 7.183 13.001 13.001 376 2HD LYS 52 1HD LYS 52 6.615 14.480 14.480 377 1HE LYS 52 2HE LYS 52 8.886 12.649 12.649 378 2HE LYS 52 1HE LYS 52 9.086 14.189 14.189 379 1HZ LYS 52 3HZ LYS 52 8.014 15.277 15.277 380 2HZ LYS 52 2HZ LYS 52 7.880 13.846 13.846 381 3HZ LYS 52 1HZ LYS 52 9.367 14.469 14.469 382 H TYR 53 H TYR 53 5.592 10.842 10.842 383 HA TYR 53 HA TYR 53 5.958 8.159 8.159 384 1HB TYR 53 1HB TYR 53 7.287 9.684 9.684 385 2HB TYR 53 2HB TYR 53 7.308 7.928 7.928 386 HD1 TYR 53 HD1 TYR 53 5.227 6.582 6.582 387 HD2 TYR 53 HD2 TYR 53 5.405 10.728 10.728 388 HE1 TYR 53 HE1 TYR 53 3.217 6.284 6.284 389 HE2 TYR 53 HE2 TYR 53 3.265 10.477 10.477 390 HH TYR 53 HH TYR 53 1.467 9.107 9.107 391 H LYS 54 HN LYS 54 8.275 7.128 7.128 392 HA LYS 54 HA LYS 54 10.278 8.622 8.622 393 1HB LYS 54 2HB LYS 54 10.368 5.661 5.661 394 2HB LYS 54 1HB LYS 54 11.126 6.696 6.696 395 1HG LYS 54 2HG LYS 54 9.054 7.081 7.081 396 2HG LYS 54 1HG LYS 54 8.143 6.185 6.185 397 1HD LYS 54 2HD LYS 54 8.514 4.793 4.793 398 2HD LYS 54 1HD LYS 54 9.315 4.105 4.105 399 1HE LYS 54 1HE LYS 54 10.880 5.811 5.811 400 2HE LYS 54 2HE LYS 54 10.523 4.110 4.110 401 1HZ LYS 54 3HZ LYS 54 11.579 3.510 3.510 402 2HZ LYS 54 2HZ LYS 54 12.019 5.070 5.070 403 3HZ LYS 54 1HZ LYS 54 12.608 4.273 4.273 404 H ASP 55 HN ASP 55 12.375 7.819 7.819 405 HA ASP 55 HA ASP 55 13.534 8.558 8.558 406 1HB ASP 55 1HB ASP 55 15.465 7.025 7.025 407 2HB ASP 55 2HB ASP 55 14.989 8.501 8.501 408 H SER 56 H SER 56 12.925 5.266 5.266 409 HA SER 56 HA SER 56 14.351 3.964 3.964 410 1HB SER 56 2HB SER 56 12.045 2.977 2.977 411 2HB SER 56 1HB SER 56 13.166 1.950 1.950 412 HG SER 56 HG SER 56 14.054 3.857 3.857 413 H ILE 57 H ILE 57 10.871 4.521 4.521 414 HA ILE 57 HA ILE 57 10.229 3.093 3.093 415 HB ILE 57 HB ILE 57 8.967 3.524 3.524 416 1HG1 ILE 57 2HG1 ILE 57 7.427 3.434 3.434 417 2HG1 ILE 57 1HG1 ILE 57 8.310 2.059 2.059 418 1HG2 ILE 57 2HG2 ILE 57 8.721 5.948 5.948 419 2HG2 ILE 57 1HG2 ILE 57 7.736 5.751 5.751 420 3HG2 ILE 57 3HG2 ILE 57 7.155 5.159 5.159 421 1HD1 ILE 57 1HD1 ILE 57 6.902 2.160 2.160 422 2HD1 ILE 57 2HD1 ILE 57 5.897 3.398 3.398 423 3HD1 ILE 57 3HD1 ILE 57 6.019 1.768 1.768 424 H VAL 58 H VAL 58 10.634 6.588 6.588 425 HA VAL 58 HA VAL 58 9.779 7.473 7.473 426 HB VAL 58 HB VAL 58 11.562 8.739 8.739 427 1HG1 VAL 58 2HG1 VAL 58 9.954 9.852 9.852 428 2HG1 VAL 58 3HG1 VAL 58 10.727 10.850 10.850 429 3HG1 VAL 58 1HG1 VAL 58 11.733 9.865 9.865 430 1HG2 VAL 58 2HG2 VAL 58 9.150 8.138 8.138 431 2HG2 VAL 58 3HG2 VAL 58 9.551 9.859 9.859 432 3HG2 VAL 58 1HG2 VAL 58 8.575 9.210 9.210 433 H ALA 59 H ALA 59 12.959 6.574 6.574 434 HA ALA 59 HA ALA 59 14.546 7.276 7.276 435 1HB ALA 59 2HB ALA 59 14.957 5.000 5.000 436 2HB ALA 59 3HB ALA 59 16.180 5.618 5.618 437 3HB ALA 59 1HB ALA 59 15.553 6.671 6.671 438 H LEU 60 H LEU 60 12.862 4.120 4.120 439 HA LEU 60 HA LEU 60 13.706 2.949 2.949 440 1HB LEU 60 2HB LEU 60 12.538 1.737 1.737 441 2HB LEU 60 1HB LEU 60 11.043 2.566 2.566 442 HG LEU 60 HG LEU 60 11.164 1.544 1.544 443 1HD1 LEU 60 3HD2 LEU 60 13.427 -0.108 -0.108 444 2HD1 LEU 60 1HD2 LEU 60 12.592 -0.445 -0.445 445 3HD1 LEU 60 2HD2 LEU 60 13.564 1.016 1.016 446 1HD2 LEU 60 1HD1 LEU 60 9.809 0.562 0.562 447 2HD2 LEU 60 2HD1 LEU 60 10.367 -0.645 -0.645 448 3HD2 LEU 60 3HD1 LEU 60 11.189 -0.486 -0.486 449 H GLY 61 H GLY 61 10.821 4.854 4.854 450 1HA GLY 61 1HA GLY 61 9.407 5.118 5.118 451 2HA GLY 61 2HA GLY 61 9.650 6.410 6.410 452 H ALA 62 H ALA 62 12.242 7.068 7.068 453 HA ALA 62 HA ALA 62 12.375 8.859 8.859 454 1HB ALA 62 2HB ALA 62 13.786 8.855 8.855 455 2HB ALA 62 1HB ALA 62 14.795 7.585 7.585 456 3HB ALA 62 3HB ALA 62 14.693 9.182 9.182 457 H SER 63 H SER 63 13.254 5.408 5.408 458 HA SER 63 HA SER 63 14.734 5.820 5.820 459 1HB SER 63 2HB SER 63 14.724 3.416 3.416 460 2HB SER 63 1HB SER 63 15.149 3.895 3.895 461 HG SER 63 HG SER 63 13.012 3.389 3.389 462 H GLY 64 H GLY 64 11.525 6.345 6.345 463 1HA GLY 64 1HA GLY 64 9.802 6.819 6.819 464 2HA GLY 64 2HA GLY 64 10.662 6.030 6.030 465 H PHE 65 H PHE 65 10.140 4.759 4.759 466 HA PHE 65 HA PHE 65 9.263 2.257 2.257 467 1HB PHE 65 1HB PHE 65 10.723 2.086 2.086 468 2HB PHE 65 2HB PHE 65 9.665 3.102 3.102 469 HD1 PHE 65 HD2 PHE 65 8.836 0.157 0.157 470 HD2 PHE 65 HD1 PHE 65 8.809 1.806 1.806 471 HE1 PHE 65 HE2 PHE 65 7.016 -1.354 -1.354 472 HE2 PHE 65 HE1 PHE 65 7.166 0.093 0.093 473 HZ PHE 65 HZ PHE 65 6.228 -1.456 -1.456 474 H ALA 66 H ALA 66 7.403 2.886 2.886 475 HA ALA 66 HA ALA 66 5.014 3.837 3.837 476 1HB ALA 66 3HB ALA 66 5.387 2.381 2.381 477 2HB ALA 66 1HB ALA 66 3.910 3.206 3.206 478 3HB ALA 66 2HB ALA 66 5.387 4.143 4.143 479 H TRP 67 H TRP 67 3.758 2.681 2.681 480 HA TRP 67 HA TRP 67 4.197 -0.093 -0.093 481 1HB TRP 67 2HB TRP 67 1.994 1.891 1.891 482 2HB TRP 67 1HB TRP 67 1.821 0.192 0.192 483 HD1 TRP 67 HD1 TRP 67 2.966 3.267 3.267 484 HE1 TRP 67 HE1 TRP 67 4.141 2.753 2.753 485 HE3 TRP 67 HE3 TRP 67 3.700 -1.766 -1.766 486 HZ2 TRP 67 HZ2 TRP 67 5.514 0.579 0.579 487 HZ3 TRP 67 HZ3 TRP 67 5.033 -3.012 -3.012 488 HH2 TRP 67 HH2 TRP 67 6.042 -1.848 -1.848 489 H THR 68 H THR 68 3.582 -1.818 -1.818 490 HA THR 68 HA THR 68 1.212 -1.644 -1.644 491 HB THR 68 HB THR 68 1.954 -3.688 -3.688 492 HG1 THR 68 HG1 THR 68 4.309 -3.789 -3.789 493 1HG2 THR 68 2HG2 THR 68 3.026 -1.633 -1.633 494 2HG2 THR 68 3HG2 THR 68 4.376 -1.857 -1.857 495 3HG2 THR 68 1HG2 THR 68 4.082 -3.055 -3.055 496 H GLU 69 HN GLU 69 -0.435 -3.342 -3.342 497 HA GLU 69 HA GLU 69 -1.145 -4.002 -4.002 498 1HB GLU 69 2HB GLU 69 -2.797 -5.449 -5.449 499 2HB GLU 69 1HB GLU 69 -2.525 -4.074 -4.074 500 1HG GLU 69 2HG GLU 69 -2.708 -5.796 -5.796 501 2HG GLU 69 1HG GLU 69 -0.965 -5.579 -5.579 502 H GLU 70 HN GLU 70 0.951 -5.726 -5.726 503 HA GLU 70 HA GLU 70 1.310 -8.150 -8.150 504 1HB GLU 70 2HB GLU 70 3.241 -6.776 -6.776 505 2HB GLU 70 1HB GLU 70 3.305 -8.458 -8.458 506 1HG GLU 70 1HG GLU 70 1.044 -8.839 -8.839 507 2HG GLU 70 2HG GLU 70 1.071 -7.190 -7.190 508 H ASP 71 HN ASP 71 3.241 -5.087 -5.087 509 HA ASP 71 HA ASP 71 5.183 -5.928 -5.928 510 1HB ASP 71 1HB ASP 71 4.208 -3.176 -3.176 511 2HB ASP 71 2HB ASP 71 5.504 -3.482 -3.482 512 H ILE 72 H ILE 72 2.082 -4.072 -4.072 513 HA ILE 72 HA ILE 72 2.270 -3.693 -3.693 514 HB ILE 72 HB ILE 72 -0.173 -4.144 -4.144 515 1HG1 ILE 72 1HG1 ILE 72 1.100 -1.587 -1.587 516 2HG1 ILE 72 2HG1 ILE 72 1.321 -2.182 -2.182 517 1HG2 ILE 72 1HG2 ILE 72 -0.734 -4.564 -4.564 518 2HG2 ILE 72 3HG2 ILE 72 -0.015 -3.002 -3.002 519 3HG2 ILE 72 2HG2 ILE 72 -1.477 -3.086 -3.086 520 1HD1 ILE 72 1HD1 ILE 72 -1.135 -2.077 -2.077 521 2HD1 ILE 72 2HD1 ILE 72 -1.321 -1.281 -1.281 522 3HD1 ILE 72 3HD1 ILE 72 -0.369 -0.509 -0.509 523 H ALA 73 H ALA 73 0.740 -6.367 -6.367 524 HA ALA 73 HA ALA 73 -0.095 -7.949 -7.949 525 1HB ALA 73 2HB ALA 73 -0.599 -8.339 -8.339 526 2HB ALA 73 3HB ALA 73 1.056 -8.914 -8.914 527 3HB ALA 73 1HB ALA 73 -0.024 -9.816 -9.816 528 H THR 74 H THR 74 3.099 -7.933 -7.933 529 HA THR 74 HA THR 74 4.232 -10.013 -10.013 530 HB THR 74 HB THR 74 5.664 -7.740 -7.740 531 HG1 THR 74 HG1 THR 74 4.293 -8.795 -8.795 532 1HG2 THR 74 3HG2 THR 74 6.516 -10.586 -10.586 533 2HG2 THR 74 1HG2 THR 74 7.464 -9.435 -9.435 534 3HG2 THR 74 2HG2 THR 74 7.140 -9.104 -9.104 535 H TYR 75 H TYR 75 4.544 -6.440 -6.440 536 HA TYR 75 HA TYR 75 6.170 -6.147 -6.147 537 1HB TYR 75 1HB TYR 75 5.547 -4.279 -4.279 538 2HB TYR 75 2HB TYR 75 3.829 -4.523 -4.523 539 HD1 TYR 75 HD1 TYR 75 6.985 -3.671 -3.671 540 HD2 TYR 75 HD2 TYR 75 2.713 -3.246 -3.246 541 HE1 TYR 75 HE1 TYR 75 7.086 -1.906 -1.906 542 HE2 TYR 75 HE2 TYR 75 2.811 -1.529 -1.529 543 HH TYR 75 HH TYR 75 4.112 -0.571 -0.571 544 H VAL 76 H VAL 76 2.567 -6.424 -6.424 545 HA VAL 76 HA VAL 76 2.223 -6.242 -6.242 546 HB VAL 76 HB VAL 76 0.711 -7.728 -7.728 547 1HG1 VAL 76 1HG2 VAL 76 -0.081 -7.349 -7.349 548 2HG1 VAL 76 2HG2 VAL 76 -1.217 -7.763 -7.763 549 3HG1 VAL 76 3HG2 VAL 76 0.083 -8.885 -8.885 550 1HG2 VAL 76 1HG1 VAL 76 0.800 -5.189 -5.189 551 2HG2 VAL 76 3HG1 VAL 76 -0.828 -5.839 -5.839 552 3HG2 VAL 76 2HG1 VAL 76 0.071 -5.187 -5.187 553 H LYS 77 HN LYS 77 3.621 -9.010 -9.010 554 HA LYS 77 HA LYS 77 3.175 -10.827 -10.827 555 1HB LYS 77 2HB LYS 77 4.890 -11.227 -11.227 556 2HB LYS 77 1HB LYS 77 4.367 -12.447 -12.447 557 1HG LYS 77 1HG LYS 77 1.946 -11.787 -11.787 558 2HG LYS 77 2HG LYS 77 2.628 -10.832 -10.832 559 1HD LYS 77 1HD LYS 77 3.678 -12.890 -12.890 560 2HD LYS 77 2HD LYS 77 2.987 -13.836 -13.836 561 1HE LYS 77 1HE LYS 77 1.558 -14.102 -14.102 562 2HE LYS 77 2HE LYS 77 0.684 -13.150 -13.150 563 1HZ LYS 77 2HZ LYS 77 2.096 -12.091 -12.091 564 2HZ LYS 77 1HZ LYS 77 0.466 -12.259 -12.259 565 3HZ LYS 77 3HZ LYS 77 1.289 -11.173 -11.173 566 H ASP 78 HN ASP 78 5.633 -8.471 -8.471 567 HA ASP 78 HA ASP 78 6.944 -9.065 -9.065 568 1HB ASP 78 1HB ASP 78 7.961 -10.733 -10.733 569 2HB ASP 78 2HB ASP 78 8.866 -9.313 -9.313 570 HA PRO 79 HA PRO 79 7.021 -4.736 -4.736 571 1HB PRO 79 1HB PRO 79 6.080 -4.296 -4.296 572 2HB PRO 79 2HB PRO 79 5.612 -3.394 -3.394 573 1HG PRO 79 2HG PRO 79 3.922 -5.258 -5.258 574 2HG PRO 79 1HG PRO 79 4.348 -5.266 -5.266 575 1HD PRO 79 2HD PRO 79 5.619 -6.877 -6.877 576 2HD PRO 79 1HD PRO 79 4.872 -7.490 -7.490 577 H GLY 80 H GLY 80 8.710 -3.307 -3.307 578 1HA GLY 80 1HA GLY 80 10.566 -2.294 -2.294 579 2HA GLY 80 2HA GLY 80 10.470 -3.466 -3.466 580 H ALA 81 H ALA 81 10.607 -5.863 -5.863 581 HA ALA 81 HA ALA 81 13.219 -6.321 -6.321 582 1HB ALA 81 1HB ALA 81 11.781 -8.045 -8.045 583 2HB ALA 81 3HB ALA 81 10.810 -8.102 -8.102 584 3HB ALA 81 2HB ALA 81 12.505 -8.613 -8.613 585 H PHE 82 H PHE 82 10.098 -6.250 -6.250 586 HA PHE 82 HA PHE 82 10.828 -6.553 -6.553 587 1HB PHE 82 2HB PHE 82 8.513 -5.909 -5.909 588 2HB PHE 82 1HB PHE 82 9.098 -4.263 -4.263 589 HD1 PHE 82 HD2 PHE 82 8.777 -7.179 -7.179 590 HD2 PHE 82 HD1 PHE 82 8.549 -2.895 -2.895 591 HE1 PHE 82 HE2 PHE 82 7.959 -6.948 -6.948 592 HE2 PHE 82 HE1 PHE 82 7.696 -2.686 -2.686 593 HZ PHE 82 HZ PHE 82 7.349 -4.726 -4.726 594 H LEU 83 H LEU 83 11.218 -3.535 -3.535 595 HA LEU 83 HA LEU 83 12.126 -1.860 -1.860 596 1HB LEU 83 1HB LEU 83 12.587 -1.480 -1.480 597 2HB LEU 83 2HB LEU 83 12.680 -0.293 -0.293 598 HG LEU 83 HG LEU 83 10.191 -1.702 -1.702 599 1HD1 LEU 83 3HD1 LEU 83 11.108 1.208 1.208 600 2HD1 LEU 83 1HD1 LEU 83 9.558 0.624 0.624 601 3HD1 LEU 83 2HD1 LEU 83 11.072 0.117 0.117 602 1HD2 LEU 83 3HD2 LEU 83 10.447 0.294 0.294 603 2HD2 LEU 83 1HD2 LEU 83 9.964 -1.413 -1.413 604 3HD2 LEU 83 2HD2 LEU 83 8.914 -0.286 -0.286 605 H LYS 84 HN LYS 84 13.543 -3.344 -3.344 606 HA LYS 84 HA LYS 84 16.259 -2.640 -2.640 607 1HB LYS 84 1HB LYS 84 15.944 -3.310 -3.310 608 2HB LYS 84 2HB LYS 84 14.755 -4.522 -4.522 609 1HG LYS 84 2HG LYS 84 17.746 -4.905 -4.905 610 2HG LYS 84 1HG LYS 84 16.888 -5.286 -5.286 611 1HD LYS 84 2HD LYS 84 15.233 -6.597 -6.597 612 2HD LYS 84 1HD LYS 84 16.650 -6.656 -6.656 613 1HE LYS 84 2HE LYS 84 17.979 -7.726 -7.726 614 2HE LYS 84 1HE LYS 84 16.582 -7.684 -7.684 615 1HZ LYS 84 2HZ LYS 84 16.649 -9.080 -9.080 616 2HZ LYS 84 1HZ LYS 84 16.825 -9.793 -9.793 617 3HZ LYS 84 3HZ LYS 84 15.401 -9.070 -9.070 618 H GLU 85 HN GLU 85 14.449 -5.422 -5.422 619 HA GLU 85 HA GLU 85 16.740 -6.613 -6.613 620 1HB GLU 85 2HB GLU 85 14.482 -7.690 -7.690 621 2HB GLU 85 1HB GLU 85 13.832 -7.009 -7.009 622 1HG GLU 85 2HG GLU 85 14.500 -9.300 -9.300 623 2HG GLU 85 1HG GLU 85 15.622 -8.251 -8.251 624 H LYS 86 HN LYS 86 13.954 -4.798 -4.798 625 HA LYS 86 HA LYS 86 15.047 -4.773 -4.773 626 1HB LYS 86 1HB LYS 86 13.079 -2.887 -2.887 627 2HB LYS 86 2HB LYS 86 13.475 -2.877 -2.877 628 1HG LYS 86 2HG LYS 86 12.732 -5.228 -5.228 629 2HG LYS 86 1HG LYS 86 12.378 -5.295 -5.295 630 1HD LYS 86 2HD LYS 86 10.325 -4.991 -4.991 631 2HD LYS 86 1HD LYS 86 10.670 -3.516 -3.516 632 1HE LYS 86 1HE LYS 86 11.439 -2.397 -2.397 633 2HE LYS 86 2HE LYS 86 11.245 -3.910 -3.910 634 1HZ LYS 86 1HZ LYS 86 9.094 -2.411 -2.411 635 2HZ LYS 86 3HZ LYS 86 9.426 -2.407 -2.407 636 3HZ LYS 86 2HZ LYS 86 8.898 -3.787 -3.787 637 H LEU 87 H LEU 87 15.489 -2.424 -2.424 638 HA LEU 87 HA LEU 87 17.105 -0.665 -0.665 639 1HB LEU 87 2HB LEU 87 15.414 0.072 0.072 640 2HB LEU 87 1HB LEU 87 16.493 -0.576 -0.576 641 HG LEU 87 HG LEU 87 18.195 1.110 1.110 642 1HD1 LEU 87 2HD2 LEU 87 16.162 2.037 2.037 643 2HD1 LEU 87 3HD2 LEU 87 17.562 2.988 2.988 644 3HD1 LEU 87 1HD2 LEU 87 17.817 1.460 1.460 645 1HD2 LEU 87 3HD1 LEU 87 16.440 1.609 1.609 646 2HD2 LEU 87 1HD1 LEU 87 16.971 3.064 3.064 647 3HD2 LEU 87 2HD1 LEU 87 15.422 2.304 2.304 648 H ASP 88 HN ASP 88 17.767 -3.563 -3.563 649 HA ASP 88 HA ASP 88 19.486 -4.527 -4.527 650 1HB ASP 88 1HB ASP 88 20.308 -4.360 -4.360 651 2HB ASP 88 2HB ASP 88 21.069 -2.807 -2.807 652 H ASP 89 HN ASP 89 18.478 -2.666 -2.666 653 HA ASP 89 HA ASP 89 20.794 -1.353 -1.353 654 1HB ASP 89 1HB ASP 89 19.615 0.370 0.370 655 2HB ASP 89 2HB ASP 89 18.043 -0.213 -0.213 656 H LYS 90 HN LYS 90 21.160 -2.539 -2.539 657 HA LYS 90 HA LYS 90 19.598 -4.397 -4.397 658 1HB LYS 90 1HB LYS 90 22.131 -2.738 -2.738 659 2HB LYS 90 2HB LYS 90 21.563 -3.972 -3.972 660 1HG LYS 90 1HG LYS 90 23.247 -4.938 -4.938 661 2HG LYS 90 2HG LYS 90 21.705 -5.687 -5.687 662 1HD LYS 90 1HD LYS 90 21.585 -4.400 -4.400 663 2HD LYS 90 2HD LYS 90 22.984 -3.406 -3.406 664 1HE LYS 90 2HE LYS 90 24.421 -5.415 -5.415 665 2HE LYS 90 1HE LYS 90 23.020 -6.399 -6.399 666 1HZ LYS 90 1HZ LYS 90 24.060 -4.104 -4.104 667 2HZ LYS 90 3HZ LYS 90 24.347 -5.687 -5.687 668 3HZ LYS 90 2HZ LYS 90 22.822 -5.087 -5.087 669 H LYS 91 HN LYS 91 19.790 -0.855 -0.855 670 HA LYS 91 HA LYS 91 18.379 -1.022 -1.022 671 1HB LYS 91 2HB LYS 91 19.917 1.295 1.295 672 2HB LYS 91 1HB LYS 91 19.184 1.259 1.259 673 1HG LYS 91 2HG LYS 91 20.696 -0.635 -0.635 674 2HG LYS 91 1HG LYS 91 21.486 -0.499 -0.499 675 1HD LYS 91 1HD LYS 91 22.087 1.862 1.862 676 2HD LYS 91 2HD LYS 91 21.338 1.709 1.709 677 1HE LYS 91 1HE LYS 91 22.939 -0.111 -0.111 678 2HE LYS 91 2HE LYS 91 23.686 0.040 0.040 679 1HZ LYS 91 3HZ LYS 91 24.280 2.284 2.284 680 2HZ LYS 91 2HZ LYS 91 23.591 2.141 2.141 681 3HZ LYS 91 1HZ LYS 91 24.903 1.226 1.226 682 H ALA 92 H ALA 92 17.272 -1.164 -1.164 683 HA ALA 92 HA ALA 92 15.582 1.224 1.224 684 1HB ALA 92 2HB ALA 92 16.323 0.201 0.201 685 2HB ALA 92 3HB ALA 92 15.337 -1.223 -1.223 686 3HB ALA 92 1HB ALA 92 14.565 0.336 0.336 687 H LYS 93 HN LYS 93 13.939 1.322 1.322 688 HA LYS 93 HA LYS 93 12.313 -1.116 -1.116 689 1HB LYS 93 1HB LYS 93 13.261 0.959 0.959 690 2HB LYS 93 2HB LYS 93 12.208 -0.433 -0.433 691 1HG LYS 93 1HG LYS 93 14.078 -1.944 -1.944 692 2HG LYS 93 2HG LYS 93 15.120 -0.512 -0.512 693 1HD LYS 93 2HD LYS 93 14.783 -0.058 -0.058 694 2HD LYS 93 1HD LYS 93 13.770 -1.513 -1.513 695 1HE LYS 93 2HE LYS 93 15.696 -2.909 -2.909 696 2HE LYS 93 1HE LYS 93 16.702 -1.453 -1.453 697 1HZ LYS 93 1HZ LYS 93 16.398 -1.137 -1.137 698 2HZ LYS 93 2HZ LYS 93 15.463 -2.490 -2.490 699 3HZ LYS 93 3HZ LYS 93 17.052 -2.617 -2.617 700 H THR 94 H THR 94 10.125 -0.823 -0.823 701 HA THR 94 HA THR 94 9.061 1.786 1.786 702 HB THR 94 HB THR 94 8.356 -0.196 -0.196 703 HG1 THR 94 HG1 THR 94 6.163 0.112 0.112 704 1HG2 THR 94 2HG2 THR 94 8.642 -1.956 -1.956 705 2HG2 THR 94 3HG2 THR 94 7.225 -1.310 -1.310 706 3HG2 THR 94 1HG2 THR 94 7.085 -2.000 -2.000 707 H GLY 95 H GLY 95 7.308 2.704 2.704 708 1HA GLY 95 1HA GLY 95 7.406 2.431 2.431 709 2HA GLY 95 2HA GLY 95 6.213 3.335 3.335 710 H MET 96 H MET 96 5.815 0.713 0.713 711 HA MET 96 HA MET 96 3.495 -0.139 -0.139 712 1HB MET 96 2HB MET 96 4.078 -0.048 -0.048 713 2HB MET 96 1HB MET 96 5.020 -1.509 -1.509 714 1HG MET 96 1HG MET 96 3.224 -2.870 -2.870 715 2HG MET 96 2HG MET 96 2.234 -1.620 -1.620 716 1HE MET 96 2HE MET 96 1.370 -3.881 -3.881 717 2HE MET 96 1HE MET 96 1.333 -3.218 -3.218 718 3HE MET 96 3HE MET 96 2.886 -3.619 -3.619 719 H ALA 97 H ALA 97 4.416 -0.673 -0.673 720 HA ALA 97 HA ALA 97 5.774 -3.197 -3.197 721 1HB ALA 97 1HB ALA 97 5.907 -1.348 -1.348 722 2HB ALA 97 2HB ALA 97 4.168 -1.496 -1.496 723 3HB ALA 97 3HB ALA 97 5.273 -2.821 -2.821 724 H PHE 98 H PHE 98 4.004 -4.026 -4.026 725 HA PHE 98 HA PHE 98 2.337 -5.953 -5.953 726 1HB PHE 98 1HB PHE 98 0.663 -4.251 -4.251 727 2HB PHE 98 2HB PHE 98 1.200 -3.613 -3.613 728 HD1 PHE 98 HD2 PHE 98 -0.519 -6.572 -6.572 729 HD2 PHE 98 HD1 PHE 98 0.265 -4.322 -4.322 730 HE1 PHE 98 HE2 PHE 98 -2.222 -7.904 -7.904 731 HE2 PHE 98 HE1 PHE 98 -1.457 -5.637 -5.637 732 HZ PHE 98 HZ PHE 98 -2.723 -7.412 -7.412 733 H LYS 99 HN LYS 99 2.025 -7.740 -7.740 734 HA LYS 99 HA LYS 99 2.777 -7.514 -7.514 735 1HB LYS 99 2HB LYS 99 4.058 -9.803 -9.803 736 2HB LYS 99 1HB LYS 99 4.538 -8.997 -8.997 737 1HG LYS 99 1HG LYS 99 5.240 -7.012 -7.012 738 2HG LYS 99 2HG LYS 99 5.092 -8.214 -8.214 739 1HD LYS 99 1HD LYS 99 6.912 -8.374 -8.374 740 2HD LYS 99 2HD LYS 99 7.410 -8.011 -8.011 741 1HE LYS 99 2HE LYS 99 6.609 -10.318 -10.318 742 2HE LYS 99 1HE LYS 99 6.256 -10.646 -10.646 743 1HZ LYS 99 3HZ LYS 99 8.567 -10.200 -10.200 744 2HZ LYS 99 2HZ LYS 99 8.884 -10.001 -10.001 745 3HZ LYS 99 1HZ LYS 99 8.383 -11.468 -11.468 746 H LEU 100 H LEU 100 1.813 -9.300 -9.300 747 HA LEU 100 HA LEU 100 0.456 -11.408 -11.408 748 1HB LEU 100 1HB LEU 100 -1.009 -9.377 -9.377 749 2HB LEU 100 2HB LEU 100 -0.901 -9.634 -9.634 750 HG LEU 100 HG LEU 100 -1.896 -11.915 -11.915 751 1HD1 LEU 100 3HD2 LEU 100 -2.167 -11.115 -11.115 752 2HD1 LEU 100 1HD2 LEU 100 -3.102 -12.420 -12.420 753 3HD1 LEU 100 2HD2 LEU 100 -1.350 -12.551 -12.551 754 1HD2 LEU 100 2HD1 LEU 100 -3.290 -9.935 -9.935 755 2HD2 LEU 100 3HD1 LEU 100 -4.183 -11.146 -11.146 756 3HD2 LEU 100 1HD1 LEU 100 -3.579 -9.679 -9.679 757 H ALA 101 H ALA 101 1.340 -13.209 -13.209 758 HA ALA 101 HA ALA 101 2.384 -13.160 -13.160 759 1HB ALA 101 1HB ALA 101 3.521 -14.343 -14.343 760 2HB ALA 101 3HB ALA 101 2.145 -15.465 -15.465 761 3HB ALA 101 2HB ALA 101 3.142 -15.427 -15.427 762 H LYS 102 HN LYS 102 -0.415 -12.669 -12.669 763 HA LYS 102 HA LYS 102 -1.449 -14.469 -14.469 764 1HB LYS 102 2HB LYS 102 -2.806 -14.483 -14.483 765 2HB LYS 102 1HB LYS 102 -3.494 -15.146 -15.146 766 1HG LYS 102 2HG LYS 102 -1.559 -16.763 -16.763 767 2HG LYS 102 1HG LYS 102 -1.094 -16.199 -16.199 768 1HD LYS 102 2HD LYS 102 -3.262 -16.882 -16.882 769 2HD LYS 102 1HD LYS 102 -3.832 -17.346 -17.346 770 1HE LYS 102 1HE LYS 102 -3.153 -19.330 -19.330 771 2HE LYS 102 2HE LYS 102 -2.112 -19.105 -19.105 772 1HZ LYS 102 3HZ LYS 102 -1.436 -18.321 -18.321 773 2HZ LYS 102 2HZ LYS 102 -0.880 -19.660 -19.660 774 3HZ LYS 102 1HZ LYS 102 -0.460 -18.162 -18.162 775 H GLY 103 H GLY 103 -3.896 -13.644 -13.644 776 1HA GLY 103 1HA GLY 103 -5.429 -11.950 -11.950 777 2HA GLY 103 2HA GLY 103 -4.571 -11.081 -11.081 778 H GLY 104 H GLY 104 -2.129 -10.553 -10.553 779 1HA GLY 104 1HA GLY 104 -2.061 -8.236 -8.236 780 2HA GLY 104 2HA GLY 104 -0.902 -9.479 -9.479 781 H GLU 105 HN GLU 105 -2.239 -11.124 -11.124 782 HA GLU 105 HA GLU 105 -2.375 -9.641 -9.641 783 1HB GLU 105 2HB GLU 105 -3.188 -11.814 -11.814 784 2HB GLU 105 1HB GLU 105 -1.589 -11.829 -11.829 785 1HG GLU 105 2HG GLU 105 -4.031 -12.815 -12.815 786 2HG GLU 105 1HG GLU 105 -3.165 -13.820 -13.820 787 H ASP 106 HN ASP 106 -4.870 -11.158 -11.158 788 HA ASP 106 HA ASP 106 -7.119 -10.530 -10.530 789 1HB ASP 106 2HB ASP 106 -7.026 -10.887 -10.887 790 2HB ASP 106 1HB ASP 106 -8.410 -11.096 -11.096 791 H VAL 107 H VAL 107 -5.629 -8.933 -8.933 792 HA VAL 107 HA VAL 107 -7.370 -6.689 -6.689 793 HB VAL 107 HB VAL 107 -4.529 -7.180 -7.180 794 1HG1 VAL 107 2HG1 VAL 107 -6.331 -4.766 -4.766 795 2HG1 VAL 107 1HG1 VAL 107 -5.106 -5.203 -5.203 796 3HG1 VAL 107 3HG1 VAL 107 -4.619 -4.811 -4.811 797 1HG2 VAL 107 3HG2 VAL 107 -6.357 -8.553 -8.553 798 2HG2 VAL 107 1HG2 VAL 107 -5.635 -7.416 -7.416 799 3HG2 VAL 107 2HG2 VAL 107 -7.213 -7.056 -7.056 800 H ALA 108 H ALA 108 -4.230 -7.141 -7.141 801 HA ALA 108 HA ALA 108 -4.073 -4.492 -4.492 802 1HB ALA 108 2HB ALA 108 -2.187 -6.091 -6.091 803 2HB ALA 108 1HB ALA 108 -3.013 -7.063 -7.063 804 3HB ALA 108 3HB ALA 108 -2.499 -5.403 -5.403 805 H ALA 109 H ALA 109 -5.544 -7.462 -7.462 806 HA ALA 109 HA ALA 109 -6.505 -6.245 -6.245 807 1HB ALA 109 1HB ALA 109 -7.678 -8.568 -8.568 808 2HB ALA 109 3HB ALA 109 -8.085 -8.137 -8.137 809 3HB ALA 109 2HB ALA 109 -6.439 -8.663 -8.663 810 H TYR 110 H TYR 110 -7.990 -6.543 -6.543 811 HA TYR 110 HA TYR 110 -10.491 -5.341 -5.341 812 1HB TYR 110 2HB TYR 110 -10.271 -6.494 -6.494 813 2HB TYR 110 1HB TYR 110 -8.843 -5.602 -5.602 814 HD1 TYR 110 HD2 TYR 110 -12.529 -5.278 -5.278 815 HD2 TYR 110 HD1 TYR 110 -8.959 -3.559 -3.559 816 HE1 TYR 110 HE2 TYR 110 -13.913 -3.755 -3.755 817 HE2 TYR 110 HE1 TYR 110 -10.339 -2.046 -2.046 818 HH TYR 110 HH TYR 110 -12.463 -1.476 -1.476 819 H LEU 111 H LEU 111 -7.459 -3.822 -3.822 820 HA LEU 111 HA LEU 111 -8.382 -1.154 -1.154 821 1HB LEU 111 1HB LEU 111 -5.630 -2.378 -2.378 822 2HB LEU 111 2HB LEU 111 -5.870 -0.632 -0.632 823 HG LEU 111 HG LEU 111 -6.764 -2.369 -2.369 824 1HD1 LEU 111 3HD2 LEU 111 -4.111 -0.917 -0.917 825 2HD1 LEU 111 2HD2 LEU 111 -4.662 -1.685 -1.685 826 3HD1 LEU 111 1HD2 LEU 111 -4.343 -2.677 -2.677 827 1HD2 LEU 111 1HD1 LEU 111 -6.178 0.620 0.620 828 2HD2 LEU 111 2HD1 LEU 111 -7.778 -0.109 -0.109 829 3HD2 LEU 111 3HD1 LEU 111 -6.571 -0.183 -0.183 830 H ALA 112 H ALA 112 -6.597 -2.915 -2.915 831 HA ALA 112 HA ALA 112 -6.670 -0.915 -0.915 832 1HB ALA 112 1HB ALA 112 -5.407 -3.023 -3.023 833 2HB ALA 112 3HB ALA 112 -6.925 -3.920 -3.920 834 3HB ALA 112 2HB ALA 112 -6.420 -2.720 -2.720 835 H SER 113 H SER 113 -9.206 -3.364 -3.364 836 HA SER 113 HA SER 113 -10.973 -2.539 -2.539 837 1HB SER 113 2HB SER 113 -11.681 -3.850 -3.850 838 2HB SER 113 1HB SER 113 -12.657 -3.827 -3.827 839 HG SER 113 HG SER 113 -10.097 -5.039 -5.039 840 H VAL 114 H VAL 114 -10.691 -1.522 -1.522 841 HA VAL 114 HA VAL 114 -13.071 0.045 0.045 842 HB VAL 114 HB VAL 114 -10.599 -0.387 -0.387 843 1HG1 VAL 114 3HG2 VAL 114 -12.758 1.648 1.648 844 2HG1 VAL 114 2HG2 VAL 114 -11.633 0.993 0.993 845 3HG1 VAL 114 1HG2 VAL 114 -10.991 1.907 1.907 846 1HG2 VAL 114 3HG1 VAL 114 -12.458 -2.081 -2.081 847 2HG2 VAL 114 1HG1 VAL 114 -12.220 -1.312 -1.312 848 3HG2 VAL 114 2HG1 VAL 114 -13.573 -0.813 -0.813 849 H VAL 115 H VAL 115 -9.614 0.823 0.823 850 HA VAL 115 HA VAL 115 -9.866 3.603 3.603 851 HB VAL 115 HB VAL 115 -7.960 1.556 1.556 852 1HG1 VAL 115 1HG2 VAL 115 -7.681 4.553 4.553 853 2HG1 VAL 115 3HG2 VAL 115 -6.341 3.372 3.372 854 3HG1 VAL 115 2HG2 VAL 115 -7.647 3.409 3.409 855 1HG2 VAL 115 1HG1 VAL 115 -8.175 1.942 1.942 856 2HG2 VAL 115 2HG1 VAL 115 -6.576 2.362 2.362 857 3HG2 VAL 115 3HG1 VAL 115 -7.772 3.632 3.632 858 H LYS 116 HN LYS 116 -11.544 4.336 4.336 859 HA LYS 116 HA LYS 116 -11.842 4.137 4.137 860 1HB LYS 116 1HB LYS 116 -13.535 5.563 5.563 861 2HB LYS 116 2HB LYS 116 -13.937 5.371 5.371 862 1HG LYS 116 1HG LYS 116 -14.260 3.004 3.004 863 2HG LYS 116 2HG LYS 116 -13.585 2.963 2.963 864 1HD LYS 116 2HD LYS 116 -16.213 4.248 4.248 865 2HD LYS 116 1HD LYS 116 -15.984 2.794 2.794 866 1HE LYS 116 1HE LYS 116 -15.479 5.689 5.689 867 2HE LYS 116 2HE LYS 116 -16.560 4.508 4.508 868 1HZ LYS 116 2HZ LYS 116 -14.556 3.269 3.269 869 2HZ LYS 116 1HZ LYS 116 -13.623 4.495 4.495 870 3HZ LYS 116 3HZ LYS 116 -14.656 4.769 4.769 871 HHA HEC 117 HHA HEM 117 2.957 3.037 3.037 872 HHB HEC 117 HHB HEM 117 -0.789 -1.502 -1.502 873 HHC HEC 117 HHC HEM 117 -2.747 -3.131 -3.131 874 HHD HEC 117 HHD HEM 117 1.384 1.120 1.120 875 1HMA HEC 117 1HMA HEM 117 1.401 -1.109 -1.109 876 2HMA HEC 117 2HMA HEM 117 0.062 0.032 0.032 877 3HMA HEC 117 3HMA HEM 117 1.738 0.532 0.532 878 1HAA HEC 117 1HAA HEM 117 3.426 1.651 1.651 879 2HAA HEC 117 2HAA HEM 117 3.729 2.582 2.582 880 1HBA HEC 117 1HBA HEM 117 1.596 3.161 3.161 881 2HBA HEC 117 2HBA HEM 117 1.773 4.056 4.056 882 1HMB HEC 117 1HMB HEM 117 -1.964 -3.402 -3.402 883 2HMB HEC 117 2HMB HEM 117 -3.538 -2.613 -2.613 884 3HMB HEC 117 3HMB HEM 117 -3.207 -4.246 -4.246 885 HAB HEC 117 HAB HEM 117 -4.477 -2.630 -2.630 886 1HBB HEC 117 1HBB HEM 117 -5.350 -3.374 -3.374 887 2HBB HEC 117 2HBB HEM 117 -5.097 -1.688 -1.688 888 3HBB HEC 117 3HBB HEM 117 -6.309 -2.679 -2.679 889 1HMC HEC 117 1HMC HEM 117 -2.216 -3.703 -3.703 890 2HMC HEC 117 2HMC HEM 117 -2.484 -2.474 -2.474 891 3HMC HEC 117 3HMC HEM 117 -3.427 -2.430 -2.430 892 HAC HEC 117 HAC HEM 117 0.100 0.489 0.489 893 1HBC HEC 117 1HBC HEM 117 -0.776 -2.255 -2.255 894 2HBC HEC 117 2HBC HEM 117 0.898 -1.729 -1.729 895 3HBC HEC 117 3HBC HEM 117 -0.112 -0.931 -0.931 896 1HMD HEC 117 1HMD HEM 117 2.096 3.894 3.894 897 2HMD HEC 117 2HMD HEM 117 3.793 3.895 3.895 898 3HMD HEC 117 3HMD HEM 117 3.133 2.490 2.490 899 1HAD HEC 117 1HAD HEM 117 3.532 4.698 4.698 900 2HAD HEC 117 2HAD HEM 117 3.984 4.815 4.815 901 1HBD HEC 117 1HBD HEM 117 5.190 2.962 2.962 902 2HBD HEC 117 2HBD HEM 117 5.419 2.741 2.741 Start of MODEL 17 1 1H GLY 1 1H GLY 1 -7.263 -13.730 -13.730 2 2H GLY 1 2H GLY 1 -7.022 -12.204 -12.204 3 1HA GLY 1 1HA GLY 1 -6.908 -12.871 -12.871 4 2HA GLY 1 2HA GLY 1 -6.608 -11.275 -11.275 5 H ASP 2 HN ASP 2 -8.892 -12.910 -12.910 6 HA ASP 2 HA ASP 2 -11.284 -12.130 -12.130 7 1HB ASP 2 1HB ASP 2 -11.239 -14.307 -14.307 8 2HB ASP 2 2HB ASP 2 -11.016 -13.509 -13.509 9 H ALA 3 H ALA 3 -11.227 -9.962 -9.962 10 HA ALA 3 HA ALA 3 -10.538 -8.131 -8.131 11 1HB ALA 3 3HB ALA 3 -11.218 -7.564 -7.564 12 2HB ALA 3 1HB ALA 3 -12.911 -7.956 -7.956 13 3HB ALA 3 2HB ALA 3 -12.114 -6.578 -6.578 14 H ALA 4 H ALA 4 -13.576 -10.045 -10.045 15 HA ALA 4 HA ALA 4 -14.810 -8.338 -8.338 16 1HB ALA 4 1HB ALA 4 -16.154 -9.791 -9.791 17 2HB ALA 4 2HB ALA 4 -15.454 -11.231 -11.231 18 3HB ALA 4 3HB ALA 4 -16.440 -10.110 -10.110 19 H LYS 5 HN LYS 5 -12.965 -11.424 -11.424 20 HA LYS 5 HA LYS 5 -12.925 -11.752 -11.752 21 1HB LYS 5 2HB LYS 5 -10.942 -12.591 -12.591 22 2HB LYS 5 1HB LYS 5 -10.800 -13.058 -13.058 23 1HG LYS 5 2HG LYS 5 -13.148 -13.749 -13.749 24 2HG LYS 5 1HG LYS 5 -11.803 -14.817 -14.817 25 1HD LYS 5 1HD LYS 5 -13.949 -13.791 -13.791 26 2HD LYS 5 2HD LYS 5 -13.728 -15.431 -15.431 27 1HE LYS 5 2HE LYS 5 -11.474 -15.500 -15.500 28 2HE LYS 5 1HE LYS 5 -11.863 -13.934 -13.934 29 1HZ LYS 5 2HZ LYS 5 -13.774 -14.939 -14.939 30 2HZ LYS 5 1HZ LYS 5 -13.412 -16.398 -16.398 31 3HZ LYS 5 3HZ LYS 5 -12.398 -15.734 -15.734 32 H GLY 6 H GLY 6 -10.836 -10.041 -10.041 33 1HA GLY 6 1HA GLY 6 -8.889 -9.010 -9.010 34 2HA GLY 6 2HA GLY 6 -9.494 -8.209 -8.209 35 H GLU 7 HN GLU 7 -12.060 -7.520 -7.520 36 HA GLU 7 HA GLU 7 -11.857 -5.244 -5.244 37 1HB GLU 7 1HB GLU 7 -13.572 -5.596 -5.596 38 2HB GLU 7 2HB GLU 7 -14.404 -6.769 -6.769 39 1HG GLU 7 2HG GLU 7 -15.029 -5.129 -5.129 40 2HG GLU 7 1HG GLU 7 -13.822 -3.974 -3.974 41 H LYS 8 HN LYS 8 -13.349 -8.427 -8.427 42 HA LYS 8 HA LYS 8 -14.044 -7.651 -7.651 43 1HB LYS 8 1HB LYS 8 -13.467 -10.371 -10.371 44 2HB LYS 8 2HB LYS 8 -14.069 -10.134 -10.134 45 1HG LYS 8 2HG LYS 8 -16.013 -8.871 -8.871 46 2HG LYS 8 1HG LYS 8 -15.494 -9.152 -9.152 47 1HD LYS 8 1HD LYS 8 -16.217 -11.312 -11.312 48 2HD LYS 8 2HD LYS 8 -17.307 -10.696 -10.696 49 1HE LYS 8 2HE LYS 8 -14.700 -12.203 -12.203 50 2HE LYS 8 1HE LYS 8 -16.339 -12.840 -12.840 51 1HZ LYS 8 1HZ LYS 8 -16.736 -11.196 -11.196 52 2HZ LYS 8 2HZ LYS 8 -15.187 -10.643 -10.643 53 3HZ LYS 8 3HZ LYS 8 -15.472 -12.175 -12.175 54 H GLU 9 HN GLU 9 -11.127 -9.236 -9.236 55 HA GLU 9 HA GLU 9 -9.752 -9.514 -9.514 56 1HB GLU 9 1HB GLU 9 -9.260 -10.657 -10.657 57 2HB GLU 9 2HB GLU 9 -8.547 -9.138 -9.138 58 1HG GLU 9 2HG GLU 9 -6.804 -10.648 -10.648 59 2HG GLU 9 1HG GLU 9 -6.893 -9.267 -9.267 60 H PHE 10 H PHE 10 -10.112 -6.759 -6.759 61 HA PHE 10 HA PHE 10 -8.096 -5.123 -5.123 62 1HB PHE 10 2HB PHE 10 -9.767 -4.713 -4.713 63 2HB PHE 10 1HB PHE 10 -10.815 -4.003 -4.003 64 HD1 PHE 10 HD2 PHE 10 -7.556 -3.730 -3.730 65 HD2 PHE 10 HD1 PHE 10 -10.225 -1.847 -1.847 66 HE1 PHE 10 HE2 PHE 10 -6.135 -1.713 -1.713 67 HE2 PHE 10 HE1 PHE 10 -8.783 0.173 0.173 68 HZ PHE 10 HZ PHE 10 -6.771 0.271 0.271 69 H ASN 11 H ASN 11 -10.893 -6.228 -6.228 70 HA ASN 11 HA ASN 11 -11.070 -4.078 -4.078 71 1HB ASN 11 2HB ASN 11 -11.586 -7.058 -7.058 72 2HB ASN 11 1HB ASN 11 -11.681 -5.961 -5.961 73 1HD2 ASN 11 1HD2 ASN 11 -14.629 -5.769 -5.769 74 2HD2 ASN 11 2HD2 ASN 11 -13.185 -6.747 -6.747 75 H LYS 12 HN LYS 12 -8.530 -6.534 -6.534 76 HA LYS 12 HA LYS 12 -7.218 -6.030 -6.030 77 1HB LYS 12 1HB LYS 12 -6.106 -7.048 -7.048 78 2HB LYS 12 2HB LYS 12 -5.332 -7.171 -7.171 79 1HG LYS 12 1HG LYS 12 -7.939 -8.560 -8.560 80 2HG LYS 12 2HG LYS 12 -6.338 -9.256 -9.256 81 1HD LYS 12 2HD LYS 12 -7.049 -9.972 -9.972 82 2HD LYS 12 1HD LYS 12 -6.446 -8.396 -8.396 83 1HE LYS 12 1HE LYS 12 -8.815 -7.502 -7.502 84 2HE LYS 12 2HE LYS 12 -9.340 -9.110 -9.110 85 1HZ LYS 12 3HZ LYS 12 -8.622 -9.950 -9.950 86 2HZ LYS 12 2HZ LYS 12 -8.125 -8.451 -8.451 87 3HZ LYS 12 1HZ LYS 12 -9.723 -8.740 -8.740 88 H CYS 13 H CYS 13 -6.676 -4.889 -4.889 89 HA CYS 13 HA CYS 13 -4.522 -3.262 -3.262 90 1HB CYS 13 2HB CYS 13 -6.960 -2.932 -2.932 91 2HB CYS 13 1HB CYS 13 -5.411 -2.105 -2.105 92 H LYS 14 HN LYS 14 -7.973 -2.553 -2.553 93 HA LYS 14 HA LYS 14 -8.225 0.102 0.102 94 1HB LYS 14 1HB LYS 14 -10.014 -1.626 -1.626 95 2HB LYS 14 2HB LYS 14 -9.768 -2.123 -2.123 96 1HG LYS 14 1HG LYS 14 -10.448 0.160 0.160 97 2HG LYS 14 2HG LYS 14 -10.742 0.572 0.572 98 1HD LYS 14 2HD LYS 14 -12.392 -1.296 -1.296 99 2HD LYS 14 1HD LYS 14 -12.149 -1.640 -1.640 100 1HE LYS 14 2HE LYS 14 -13.149 1.012 1.012 101 2HE LYS 14 1HE LYS 14 -14.183 -0.248 -0.248 102 1HZ LYS 14 2HZ LYS 14 -12.096 1.228 1.228 103 2HZ LYS 14 1HZ LYS 14 -13.716 1.479 1.479 104 3HZ LYS 14 3HZ LYS 14 -13.067 0.058 0.058 105 H THR 15 H THR 15 -7.036 -2.273 -2.273 106 HA THR 15 HA THR 15 -7.466 -0.898 -0.898 107 HB THR 15 HB THR 15 -5.059 -2.624 -2.624 108 HG1 THR 15 HG1 THR 15 -6.836 -3.798 -3.798 109 1HG2 THR 15 2HG2 THR 15 -6.464 -2.086 -2.086 110 2HG2 THR 15 3HG2 THR 15 -5.172 -3.274 -3.274 111 3HG2 THR 15 1HG2 THR 15 -4.830 -1.546 -1.546 112 H CYS 16 H CYS 16 -5.080 -0.350 -0.350 113 HA CYS 16 HA CYS 16 -3.980 1.969 1.969 114 1HB CYS 16 1HB CYS 16 -2.590 0.062 0.062 115 2HB CYS 16 2HB CYS 16 -1.880 1.588 1.588 116 H HIS 17 HN HIS 17 -5.095 0.750 0.750 117 HA HIS 17 HA HIS 17 -4.532 3.416 3.416 118 1HB HIS 17 2HB HIS 17 -5.235 0.716 0.716 119 2HB HIS 17 1HB HIS 17 -4.886 2.161 2.161 120 HD1 HIS 17 HD1 HIS 17 -2.589 3.084 3.084 121 HD2 HIS 17 HD2 HIS 17 -2.695 -0.475 -0.475 122 HE1 HIS 17 HE1 HIS 17 -0.241 2.183 2.183 123 H SER 18 H SER 18 -6.127 3.654 3.654 124 HA SER 18 HA SER 18 -8.910 2.905 2.905 125 1HB SER 18 2HB SER 18 -8.589 4.968 4.968 126 2HB SER 18 1HB SER 18 -8.154 5.849 5.849 127 HG SER 18 HG SER 18 -10.370 6.094 6.094 128 H ILE 19 H ILE 19 -10.222 4.296 4.296 129 HA ILE 19 HA ILE 19 -9.008 4.529 4.529 130 HB ILE 19 HB ILE 19 -10.766 2.268 2.268 131 1HG1 ILE 19 1HG1 ILE 19 -8.954 2.519 2.519 132 2HG1 ILE 19 2HG1 ILE 19 -8.250 2.298 2.298 133 1HG2 ILE 19 2HG2 ILE 19 -11.085 3.718 3.718 134 2HG2 ILE 19 3HG2 ILE 19 -11.644 2.067 2.067 135 3HG2 ILE 19 1HG2 ILE 19 -12.343 3.397 3.397 136 1HD1 ILE 19 3HD1 ILE 19 -9.603 0.221 0.221 137 2HD1 ILE 19 1HD1 ILE 19 -10.211 0.385 0.385 138 3HD1 ILE 19 2HD1 ILE 19 -8.482 0.126 0.126 139 H ILE 20 H ILE 20 -9.698 6.411 6.411 140 HA ILE 20 HA ILE 20 -12.240 7.566 7.566 141 HB ILE 20 HB ILE 20 -9.875 8.619 8.619 142 1HG1 ILE 20 2HG1 ILE 20 -10.838 10.970 10.970 143 2HG1 ILE 20 1HG1 ILE 20 -12.331 10.065 10.065 144 1HG2 ILE 20 2HG2 ILE 20 -9.072 8.331 8.331 145 2HG2 ILE 20 1HG2 ILE 20 -10.229 9.578 9.578 146 3HG2 ILE 20 3HG2 ILE 20 -8.939 9.977 9.977 147 1HD1 ILE 20 3HD1 ILE 20 -12.016 9.013 9.013 148 2HD1 ILE 20 2HD1 ILE 20 -10.642 10.091 10.091 149 3HD1 ILE 20 1HD1 ILE 20 -12.263 10.774 10.774 150 H ALA 21 H ALA 21 -13.700 8.555 8.555 151 HA ALA 21 HA ALA 21 -13.652 7.425 7.425 152 1HB ALA 21 1HB ALA 21 -15.759 8.032 8.032 153 2HB ALA 21 3HB ALA 21 -15.323 9.724 9.724 154 3HB ALA 21 2HB ALA 21 -15.715 8.690 8.690 155 HA PRO 22 HA PRO 22 -11.222 10.715 10.715 156 1HB PRO 22 1HB PRO 22 -12.588 11.391 11.391 157 2HB PRO 22 2HB PRO 22 -11.552 9.954 9.954 158 1HG PRO 22 1HG PRO 22 -14.559 10.111 10.111 159 2HG PRO 22 2HG PRO 22 -13.588 8.892 8.892 160 1HD PRO 22 1HD PRO 22 -14.551 8.381 8.381 161 2HD PRO 22 2HD PRO 22 -12.906 7.857 7.857 162 H ASP 23 HN ASP 23 -14.721 11.271 11.271 163 HA ASP 23 HA ASP 23 -14.554 14.156 14.156 164 1HB ASP 23 1HB ASP 23 -16.937 13.958 13.958 165 2HB ASP 23 2HB ASP 23 -16.579 13.052 13.052 166 H GLY 24 H GLY 24 -13.598 11.881 11.881 167 1HA GLY 24 1HA GLY 24 -12.639 12.601 12.601 168 2HA GLY 24 2HA GLY 24 -13.784 13.928 13.928 169 H THR 25 H THR 25 -15.932 11.573 11.573 170 HA THR 25 HA THR 25 -16.791 11.236 11.236 171 HB THR 25 HB THR 25 -17.450 9.506 9.506 172 HG1 THR 25 HG1 THR 25 -17.976 11.629 11.629 173 1HG2 THR 25 1HG2 THR 25 -18.942 9.951 9.951 174 2HG2 THR 25 3HG2 THR 25 -19.567 9.080 9.080 175 3HG2 THR 25 2HG2 THR 25 -18.187 8.425 8.425 176 H GLU 26 HN GLU 26 -16.126 9.952 9.952 177 HA GLU 26 HA GLU 26 -13.951 8.097 8.097 178 1HB GLU 26 2HB GLU 26 -15.857 8.416 8.416 179 2HB GLU 26 1HB GLU 26 -14.244 7.686 7.686 180 1HG GLU 26 1HG GLU 26 -13.385 9.985 9.985 181 2HG GLU 26 2HG GLU 26 -14.958 10.624 10.624 182 H ILE 27 H ILE 27 -14.776 6.718 6.718 183 HA ILE 27 HA ILE 27 -16.964 4.982 4.982 184 HB ILE 27 HB ILE 27 -14.303 4.386 4.386 185 1HG1 ILE 27 2HG1 ILE 27 -15.152 6.350 6.350 186 2HG1 ILE 27 1HG1 ILE 27 -15.447 5.038 5.038 187 1HG2 ILE 27 1HG2 ILE 27 -17.013 3.029 3.029 188 2HG2 ILE 27 3HG2 ILE 27 -15.646 2.802 2.802 189 3HG2 ILE 27 2HG2 ILE 27 -15.502 2.303 2.303 190 1HD1 ILE 27 3HD1 ILE 27 -17.852 4.944 4.944 191 2HD1 ILE 27 1HD1 ILE 27 -17.502 6.430 6.430 192 3HD1 ILE 27 2HD1 ILE 27 -17.414 6.428 6.428 193 H VAL 28 H VAL 28 -13.509 4.191 4.191 194 HA VAL 28 HA VAL 28 -14.612 1.850 1.850 195 HB VAL 28 HB VAL 28 -11.799 2.713 2.713 196 1HG1 VAL 28 2HG1 VAL 28 -12.732 0.422 0.422 197 2HG1 VAL 28 1HG1 VAL 28 -11.101 0.576 0.576 198 3HG1 VAL 28 3HG1 VAL 28 -11.683 1.782 1.782 199 1HG2 VAL 28 1HG2 VAL 28 -13.537 0.272 0.272 200 2HG2 VAL 28 3HG2 VAL 28 -13.105 1.571 1.571 201 3HG2 VAL 28 2HG2 VAL 28 -11.856 0.474 0.474 202 H LYS 29 HN LYS 29 -13.078 4.994 4.994 203 HA LYS 29 HA LYS 29 -12.802 6.176 6.176 204 1HB LYS 29 1HB LYS 29 -15.319 5.963 5.963 205 2HB LYS 29 2HB LYS 29 -15.225 4.639 4.639 206 1HG LYS 29 1HG LYS 29 -14.466 6.093 6.093 207 2HG LYS 29 2HG LYS 29 -14.059 7.377 7.377 208 1HD LYS 29 1HD LYS 29 -16.065 7.907 7.907 209 2HD LYS 29 2HD LYS 29 -16.412 7.830 7.830 210 1HE LYS 29 1HE LYS 29 -16.912 5.444 5.444 211 2HE LYS 29 2HE LYS 29 -18.087 6.757 6.757 212 1HZ LYS 29 1HZ LYS 29 -18.175 6.347 6.347 213 2HZ LYS 29 3HZ LYS 29 -17.122 5.092 5.092 214 3HZ LYS 29 2HZ LYS 29 -18.593 5.004 5.004 215 H GLY 30 H GLY 30 -11.030 4.265 4.265 216 1HA GLY 30 1HA GLY 30 -10.897 2.604 2.604 217 2HA GLY 30 2HA GLY 30 -9.780 2.619 2.619 218 H ALA 31 H ALA 31 -8.251 2.660 2.660 219 HA ALA 31 HA ALA 31 -8.015 5.224 5.224 220 1HB ALA 31 2HB ALA 31 -7.378 3.121 3.121 221 2HB ALA 31 3HB ALA 31 -6.178 2.826 2.826 222 3HB ALA 31 1HB ALA 31 -5.967 4.187 4.187 223 H LYS 32 HN LYS 32 -5.736 6.261 6.261 224 HA LYS 32 HA LYS 32 -4.716 6.496 6.496 225 1HB LYS 32 2HB LYS 32 -5.390 8.798 8.798 226 2HB LYS 32 1HB LYS 32 -4.445 8.920 8.920 227 1HG LYS 32 1HG LYS 32 -6.469 9.570 9.570 228 2HG LYS 32 2HG LYS 32 -6.485 7.850 7.850 229 1HD LYS 32 2HD LYS 32 -7.918 7.440 7.440 230 2HD LYS 32 1HD LYS 32 -7.864 9.170 9.170 231 1HE LYS 32 2HE LYS 32 -9.058 9.677 9.677 232 2HE LYS 32 1HE LYS 32 -8.917 7.991 7.991 233 1HZ LYS 32 2HZ LYS 32 -10.403 8.844 8.844 234 2HZ LYS 32 1HZ LYS 32 -11.069 8.487 8.487 235 3HZ LYS 32 3HZ LYS 32 -10.289 7.310 7.310 236 H THR 33 H THR 33 -3.785 4.821 4.821 237 HA THR 33 HA THR 33 -1.468 6.082 6.082 238 HB THR 33 HB THR 33 -1.977 3.117 3.117 239 HG1 THR 33 HG1 THR 33 -3.137 4.887 4.887 240 1HG2 THR 33 1HG2 THR 33 0.180 3.788 3.788 241 2HG2 THR 33 2HG2 THR 33 -0.682 4.733 4.733 242 3HG2 THR 33 3HG2 THR 33 -0.862 2.966 2.966 243 H GLY 34 H GLY 34 -2.339 4.115 4.115 244 1HA GLY 34 1HA GLY 34 0.364 4.553 4.553 245 2HA GLY 34 2HA GLY 34 -0.722 3.211 3.211 246 HA PRO 35 HA PRO 35 -1.619 7.277 7.277 247 1HB PRO 35 2HB PRO 35 -0.909 5.299 5.299 248 2HB PRO 35 1HB PRO 35 -0.730 7.077 7.077 249 1HG PRO 35 1HG PRO 35 1.384 5.487 5.487 250 2HG PRO 35 2HG PRO 35 1.132 6.965 6.965 251 1HD PRO 35 2HD PRO 35 0.596 4.104 4.104 252 2HD PRO 35 1HD PRO 35 1.183 5.443 5.443 253 H ASN 36 H ASN 36 -3.259 7.386 7.386 254 HA ASN 36 HA ASN 36 -5.491 5.511 5.511 255 1HB ASN 36 2HB ASN 36 -5.882 7.996 7.996 256 2HB ASN 36 1HB ASN 36 -5.329 7.949 7.949 257 1HD2 ASN 36 2HD2 ASN 36 -9.082 6.730 6.730 258 2HD2 ASN 36 1HD2 ASN 36 -8.059 7.695 7.695 259 H LEU 37 H LEU 37 -5.611 3.752 3.752 260 HA LEU 37 HA LEU 37 -3.562 3.549 3.549 261 1HB LEU 37 1HB LEU 37 -5.470 1.461 1.461 262 2HB LEU 37 2HB LEU 37 -4.154 1.188 1.188 263 HG LEU 37 HG LEU 37 -3.806 2.145 2.145 264 1HD1 LEU 37 3HD1 LEU 37 -4.449 -0.228 -0.228 265 2HD1 LEU 37 2HD1 LEU 37 -3.145 -0.515 -0.515 266 3HD1 LEU 37 1HD1 LEU 37 -2.765 -0.072 -0.072 267 1HD2 LEU 37 2HD2 LEU 37 -1.780 1.592 1.592 268 2HD2 LEU 37 3HD2 LEU 37 -1.993 3.099 3.099 269 3HD2 LEU 37 1HD2 LEU 37 -1.348 1.661 1.661 270 H TYR 38 H TYR 38 -6.648 4.825 4.825 271 HA TYR 38 HA TYR 38 -7.688 3.589 3.589 272 1HB TYR 38 2HB TYR 38 -9.148 4.988 4.988 273 2HB TYR 38 1HB TYR 38 -8.019 6.341 6.341 274 HD1 TYR 38 HD2 TYR 38 -10.567 4.485 4.485 275 HD2 TYR 38 HD1 TYR 38 -7.886 7.846 7.846 276 HE1 TYR 38 HE2 TYR 38 -11.483 5.289 5.289 277 HE2 TYR 38 HE1 TYR 38 -8.757 8.631 8.631 278 HH TYR 38 HH TYR 38 -11.401 7.015 7.015 279 H GLY 39 H GLY 39 -6.552 3.458 3.458 280 1HA GLY 39 1HA GLY 39 -5.512 4.273 4.273 281 2HA GLY 39 2HA GLY 39 -5.330 5.861 5.861 282 H VAL 40 H VAL 40 -4.176 3.116 3.116 283 HA VAL 40 HA VAL 40 -1.494 4.015 4.015 284 HB VAL 40 HB VAL 40 -2.587 2.445 2.445 285 1HG1 VAL 40 1HG2 VAL 40 -3.210 0.610 0.610 286 2HG1 VAL 40 3HG2 VAL 40 -1.475 0.308 0.308 287 3HG1 VAL 40 2HG2 VAL 40 -2.184 0.057 0.057 288 1HG2 VAL 40 2HG1 VAL 40 -0.252 3.173 3.173 289 2HG2 VAL 40 1HG1 VAL 40 -0.414 1.477 1.477 290 3HG2 VAL 40 3HG1 VAL 40 0.229 1.876 1.876 291 H VAL 41 H VAL 41 -3.287 1.607 1.607 292 HA VAL 41 HA VAL 41 -1.086 0.469 0.469 293 HB VAL 41 HB VAL 41 -3.974 0.712 0.712 294 1HG1 VAL 41 1HG1 VAL 41 -1.774 -1.287 -1.287 295 2HG1 VAL 41 3HG1 VAL 41 -3.456 -1.351 -1.351 296 3HG1 VAL 41 2HG1 VAL 41 -2.409 -0.024 -0.024 297 1HG2 VAL 41 1HG2 VAL 41 -2.607 -1.360 -1.360 298 2HG2 VAL 41 3HG2 VAL 41 -3.997 -0.332 -0.332 299 3HG2 VAL 41 2HG2 VAL 41 -4.170 -1.611 -1.611 300 H GLY 42 H GLY 42 0.329 1.630 1.630 301 1HA GLY 42 1HA GLY 42 0.984 2.588 2.588 302 2HA GLY 42 2HA GLY 42 -0.472 3.590 3.590 303 H ARG 43 HN ARG 43 0.221 3.862 3.862 304 HA ARG 43 HA ARG 43 1.401 6.471 6.471 305 1HB ARG 43 2HB ARG 43 -0.152 6.281 6.281 306 2HB ARG 43 1HB ARG 43 0.672 4.907 4.907 307 1HG ARG 43 1HG ARG 43 2.564 6.225 6.225 308 2HG ARG 43 2HG ARG 43 1.998 7.619 7.619 309 1HD ARG 43 1HD ARG 43 0.495 6.382 6.382 310 2HD ARG 43 2HD ARG 43 1.649 7.694 7.694 311 HE ARG 43 HE ARG 43 -1.058 7.904 7.904 312 1HH1 ARG 43 2HH1 ARG 43 2.183 9.334 9.334 313 2HH1 ARG 43 1HH1 ARG 43 1.577 10.954 10.954 314 1HH2 ARG 43 1HH2 ARG 43 -1.838 10.000 10.000 315 2HH2 ARG 43 2HH2 ARG 43 -0.739 11.310 11.310 316 H THR 44 H THR 44 3.437 7.193 7.193 317 HA THR 44 HA THR 44 5.633 5.438 5.438 318 HB THR 44 HB THR 44 5.573 8.420 8.420 319 HG1 THR 44 HG1 THR 44 5.544 6.971 6.971 320 1HG2 THR 44 3HG2 THR 44 7.726 6.562 6.562 321 2HG2 THR 44 2HG2 THR 44 7.801 8.339 8.339 322 3HG2 THR 44 1HG2 THR 44 7.793 7.496 7.496 323 H ALA 45 H ALA 45 5.030 4.189 4.189 324 HA ALA 45 HA ALA 45 5.444 3.561 3.561 325 1HB ALA 45 3HB ALA 45 7.750 3.964 3.964 326 2HB ALA 45 2HB ALA 45 7.799 5.430 5.430 327 3HB ALA 45 1HB ALA 45 7.644 3.843 3.843 328 H GLY 46 H GLY 46 6.877 5.307 5.307 329 1HA GLY 46 1HA GLY 46 4.588 6.389 6.389 330 2HA GLY 46 2HA GLY 46 6.260 6.558 6.558 331 H THR 47 H THR 47 3.967 7.811 7.811 332 HA THR 47 HA THR 47 4.987 10.602 10.602 333 HB THR 47 HB THR 47 4.289 10.913 10.913 334 HG1 THR 47 HG1 THR 47 4.642 8.127 8.127 335 1HG2 THR 47 3HG2 THR 47 6.621 9.057 9.057 336 2HG2 THR 47 2HG2 THR 47 6.388 9.950 9.950 337 3HG2 THR 47 1HG2 THR 47 6.634 10.828 10.828 338 H TYR 48 H TYR 48 2.434 8.816 8.816 339 HA TYR 48 HA TYR 48 0.219 10.239 10.239 340 1HB TYR 48 1HB TYR 48 0.404 7.923 7.923 341 2HB TYR 48 2HB TYR 48 -0.005 8.926 8.926 342 HD1 TYR 48 HD2 TYR 48 -2.192 10.454 10.454 343 HD2 TYR 48 HD1 TYR 48 -1.182 6.999 6.999 344 HE1 TYR 48 HE2 TYR 48 -4.541 10.283 10.283 345 HE2 TYR 48 HE1 TYR 48 -3.462 6.908 6.908 346 HH TYR 48 HH TYR 48 -5.610 7.683 7.683 347 HA PRO 49 HA PRO 49 1.186 13.892 13.892 348 1HB PRO 49 1HB PRO 49 -1.716 14.596 14.596 349 2HB PRO 49 2HB PRO 49 -0.303 15.612 15.612 350 1HG PRO 49 1HG PRO 49 -1.723 14.458 14.458 351 2HG PRO 49 2HG PRO 49 0.062 14.542 14.542 352 1HD PRO 49 1HD PRO 49 -1.661 12.170 12.170 353 2HD PRO 49 2HD PRO 49 -0.158 12.270 12.270 354 H GLU 50 HN GLU 50 0.249 15.204 15.204 355 HA GLU 50 HA GLU 50 0.068 15.230 15.230 356 1HB GLU 50 2HB GLU 50 -2.510 13.774 13.774 357 2HB GLU 50 1HB GLU 50 -2.199 14.689 14.689 358 1HG GLU 50 2HG GLU 50 -1.864 16.761 16.761 359 2HG GLU 50 1HG GLU 50 -2.246 15.853 15.853 360 H PHE 51 H PHE 51 1.853 13.193 13.193 361 HA PHE 51 HA PHE 51 1.445 11.489 11.489 362 1HB PHE 51 2HB PHE 51 0.300 10.356 10.356 363 2HB PHE 51 1HB PHE 51 1.908 10.137 10.137 364 HD1 PHE 51 HD2 PHE 51 3.598 8.737 8.737 365 HD2 PHE 51 HD1 PHE 51 -0.468 9.185 9.185 366 HE1 PHE 51 HE2 PHE 51 3.985 7.011 7.011 367 HE2 PHE 51 HE1 PHE 51 -0.076 7.470 7.470 368 HZ PHE 51 HZ PHE 51 2.145 6.364 6.364 369 H LYS 52 HN LYS 52 3.311 11.800 11.800 370 HA LYS 52 HA LYS 52 5.793 12.405 12.405 371 1HB LYS 52 2HB LYS 52 5.152 13.553 13.553 372 2HB LYS 52 1HB LYS 52 5.109 12.026 12.026 373 1HG LYS 52 2HG LYS 52 7.164 13.309 13.309 374 2HG LYS 52 1HG LYS 52 7.488 11.710 11.710 375 1HD LYS 52 1HD LYS 52 8.997 13.379 13.379 376 2HD LYS 52 2HD LYS 52 8.018 12.655 12.655 377 1HE LYS 52 1HE LYS 52 6.532 14.669 14.669 378 2HE LYS 52 2HE LYS 52 7.465 15.353 15.353 379 1HZ LYS 52 2HZ LYS 52 9.369 15.398 15.398 380 2HZ LYS 52 1HZ LYS 52 8.501 14.752 14.752 381 3HZ LYS 52 3HZ LYS 52 8.122 16.247 16.247 382 H TYR 53 H TYR 53 6.195 10.489 10.489 383 HA TYR 53 HA TYR 53 6.391 7.899 7.899 384 1HB TYR 53 2HB TYR 53 7.668 8.798 8.798 385 2HB TYR 53 1HB TYR 53 7.391 7.156 7.156 386 HD1 TYR 53 HD2 TYR 53 5.667 10.145 10.145 387 HD2 TYR 53 HD1 TYR 53 5.443 5.949 5.949 388 HE1 TYR 53 HE2 TYR 53 3.633 9.925 9.925 389 HE2 TYR 53 HE1 TYR 53 3.520 5.710 5.710 390 HH TYR 53 HH TYR 53 2.241 6.727 6.727 391 H LYS 54 HN LYS 54 8.599 6.754 6.754 392 HA LYS 54 HA LYS 54 10.830 8.002 8.002 393 1HB LYS 54 1HB LYS 54 10.434 5.200 5.200 394 2HB LYS 54 2HB LYS 54 11.862 5.744 5.744 395 1HG LYS 54 2HG LYS 54 10.436 6.287 6.287 396 2HG LYS 54 1HG LYS 54 9.041 5.579 5.579 397 1HD LYS 54 2HD LYS 54 10.130 3.409 3.409 398 2HD LYS 54 1HD LYS 54 11.648 4.065 4.065 399 1HE LYS 54 1HE LYS 54 10.572 4.610 4.610 400 2HE LYS 54 2HE LYS 54 9.016 4.022 4.022 401 1HZ LYS 54 3HZ LYS 54 11.447 2.394 2.394 402 2HZ LYS 54 2HZ LYS 54 10.169 2.415 2.415 403 3HZ LYS 54 1HZ LYS 54 9.972 1.837 1.837 404 H ASP 55 HN ASP 55 12.980 7.752 7.752 405 HA ASP 55 HA ASP 55 13.070 9.074 9.074 406 1HB ASP 55 2HB ASP 55 14.806 9.327 9.327 407 2HB ASP 55 1HB ASP 55 15.218 7.604 7.604 408 H SER 56 H SER 56 13.111 5.586 5.586 409 HA SER 56 HA SER 56 14.672 4.618 4.618 410 1HB SER 56 1HB SER 56 13.347 2.518 2.518 411 2HB SER 56 2HB SER 56 14.360 3.380 3.380 412 HG SER 56 HG SER 56 12.177 2.973 2.973 413 H ILE 57 H ILE 57 11.256 4.434 4.434 414 HA ILE 57 HA ILE 57 10.429 3.495 3.495 415 HB ILE 57 HB ILE 57 9.358 3.413 3.413 416 1HG1 ILE 57 1HG1 ILE 57 7.594 4.070 4.070 417 2HG1 ILE 57 2HG1 ILE 57 8.333 2.501 2.501 418 1HG2 ILE 57 1HG2 ILE 57 9.317 5.800 5.800 419 2HG2 ILE 57 2HG2 ILE 57 8.091 6.059 6.059 420 3HG2 ILE 57 3HG2 ILE 57 7.733 5.057 5.057 421 1HD1 ILE 57 1HD1 ILE 57 7.017 2.417 2.417 422 2HD1 ILE 57 2HD1 ILE 57 6.148 3.877 3.877 423 3HD1 ILE 57 3HD1 ILE 57 6.041 2.387 2.387 424 H VAL 58 H VAL 58 10.770 6.845 6.845 425 HA VAL 58 HA VAL 58 9.614 8.100 8.100 426 HB VAL 58 HB VAL 58 11.621 9.040 9.040 427 1HG1 VAL 58 1HG2 VAL 58 10.253 10.644 10.644 428 2HG1 VAL 58 2HG2 VAL 58 11.094 11.345 11.345 429 3HG1 VAL 58 3HG2 VAL 58 12.004 10.408 10.408 430 1HG2 VAL 58 2HG1 VAL 58 9.237 8.540 8.540 431 2HG2 VAL 58 1HG1 VAL 58 9.714 10.233 10.233 432 3HG2 VAL 58 3HG1 VAL 58 8.689 9.759 9.759 433 H ALA 59 H ALA 59 13.034 7.236 7.236 434 HA ALA 59 HA ALA 59 14.203 8.169 8.169 435 1HB ALA 59 2HB ALA 59 15.494 7.563 7.563 436 2HB ALA 59 3HB ALA 59 15.072 5.852 5.852 437 3HB ALA 59 1HB ALA 59 16.076 6.683 6.683 438 H LEU 60 H LEU 60 12.815 4.972 4.972 439 HA LEU 60 HA LEU 60 13.385 3.673 3.673 440 1HB LEU 60 2HB LEU 60 12.553 2.656 2.656 441 2HB LEU 60 1HB LEU 60 10.973 3.362 3.362 442 HG LEU 60 HG LEU 60 10.638 2.089 2.089 443 1HD1 LEU 60 2HD2 LEU 60 13.344 0.790 0.790 444 2HD1 LEU 60 1HD2 LEU 60 12.090 0.246 0.246 445 3HD1 LEU 60 3HD2 LEU 60 12.854 1.813 1.813 446 1HD2 LEU 60 3HD1 LEU 60 9.968 1.131 1.131 447 2HD2 LEU 60 2HD1 LEU 60 10.456 -0.164 -0.164 448 3HD2 LEU 60 1HD1 LEU 60 11.564 0.365 0.365 449 H GLY 61 H GLY 61 10.542 5.619 5.619 450 1HA GLY 61 1HA GLY 61 9.075 5.590 5.590 451 2HA GLY 61 2HA GLY 61 9.138 6.952 6.952 452 H ALA 62 H ALA 62 11.580 7.955 7.955 453 HA ALA 62 HA ALA 62 11.720 9.426 9.426 454 1HB ALA 62 3HB ALA 62 12.717 10.133 10.133 455 2HB ALA 62 1HB ALA 62 13.976 8.891 8.891 456 3HB ALA 62 2HB ALA 62 13.877 10.225 10.225 457 H SER 63 H SER 63 13.301 6.356 6.356 458 HA SER 63 HA SER 63 15.060 6.268 6.268 459 1HB SER 63 1HB SER 63 13.907 3.923 3.923 460 2HB SER 63 2HB SER 63 15.352 3.933 3.933 461 HG SER 63 HG SER 63 14.995 5.548 5.548 462 H GLY 64 H GLY 64 11.635 5.995 5.995 463 1HA GLY 64 1HA GLY 64 10.410 6.073 6.073 464 2HA GLY 64 2HA GLY 64 11.525 4.946 4.946 465 H PHE 65 H PHE 65 10.628 4.109 4.109 466 HA PHE 65 HA PHE 65 9.357 1.715 1.715 467 1HB PHE 65 1HB PHE 65 10.604 1.715 1.715 468 2HB PHE 65 2HB PHE 65 9.500 2.933 2.933 469 HD1 PHE 65 HD1 PHE 65 8.594 -0.221 -0.221 470 HD2 PHE 65 HD2 PHE 65 8.456 1.896 1.896 471 HE1 PHE 65 HE1 PHE 65 7.032 -1.875 -1.875 472 HE2 PHE 65 HE2 PHE 65 7.107 0.095 0.095 473 HZ PHE 65 HZ PHE 65 6.408 -1.829 -1.829 474 H ALA 66 H ALA 66 7.321 1.583 1.583 475 HA ALA 66 HA ALA 66 5.180 3.358 3.358 476 1HB ALA 66 2HB ALA 66 5.315 1.763 1.763 477 2HB ALA 66 3HB ALA 66 3.956 2.769 2.769 478 3HB ALA 66 1HB ALA 66 5.514 3.524 3.524 479 H TRP 67 H TRP 67 3.629 2.356 2.356 480 HA TRP 67 HA TRP 67 3.960 -0.418 -0.418 481 1HB TRP 67 2HB TRP 67 1.842 1.683 1.683 482 2HB TRP 67 1HB TRP 67 1.576 0.008 0.008 483 HD1 TRP 67 HD1 TRP 67 2.673 3.069 3.069 484 HE1 TRP 67 HE1 TRP 67 4.038 2.669 2.669 485 HE3 TRP 67 HE3 TRP 67 3.573 -1.953 -1.953 486 HZ2 TRP 67 HZ2 TRP 67 5.467 0.555 0.555 487 HZ3 TRP 67 HZ3 TRP 67 4.945 -3.129 -3.129 488 HH2 TRP 67 HH2 TRP 67 6.020 -1.870 -1.870 489 H THR 68 H THR 68 3.221 -2.158 -2.158 490 HA THR 68 HA THR 68 0.827 -2.027 -2.027 491 HB THR 68 HB THR 68 2.583 -4.004 -4.004 492 HG1 THR 68 HG1 THR 68 4.371 -2.871 -2.871 493 1HG2 THR 68 2HG2 THR 68 1.720 -1.290 -1.290 494 2HG2 THR 68 1HG2 THR 68 2.349 -2.643 -2.643 495 3HG2 THR 68 3HG2 THR 68 0.788 -2.806 -2.806 496 H GLU 69 HN GLU 69 -0.157 -4.076 -4.076 497 HA GLU 69 HA GLU 69 -1.056 -5.110 -5.110 498 1HB GLU 69 1HB GLU 69 -0.760 -6.750 -6.750 499 2HB GLU 69 2HB GLU 69 -1.932 -6.985 -6.985 500 1HG GLU 69 2HG GLU 69 -2.432 -4.406 -4.406 501 2HG GLU 69 1HG GLU 69 -1.788 -4.817 -4.817 502 H GLU 70 HN GLU 70 1.500 -6.504 -6.504 503 HA GLU 70 HA GLU 70 1.952 -8.834 -8.834 504 1HB GLU 70 1HB GLU 70 4.050 -9.090 -9.090 505 2HB GLU 70 2HB GLU 70 2.630 -8.840 -8.840 506 1HG GLU 70 2HG GLU 70 3.297 -6.435 -6.435 507 2HG GLU 70 1HG GLU 70 4.755 -6.757 -6.757 508 H ASP 71 HN ASP 71 3.568 -5.657 -5.657 509 HA ASP 71 HA ASP 71 5.542 -6.176 -6.176 510 1HB ASP 71 1HB ASP 71 4.243 -3.505 -3.505 511 2HB ASP 71 2HB ASP 71 5.811 -3.793 -3.793 512 H ILE 72 H ILE 72 2.290 -4.694 -4.694 513 HA ILE 72 HA ILE 72 2.276 -4.130 -4.130 514 HB ILE 72 HB ILE 72 -0.011 -4.816 -4.816 515 1HG1 ILE 72 2HG1 ILE 72 0.797 -2.053 -2.053 516 2HG1 ILE 72 1HG1 ILE 72 1.474 -2.736 -2.736 517 1HG2 ILE 72 1HG2 ILE 72 -0.069 -3.548 -3.548 518 2HG2 ILE 72 2HG2 ILE 72 -1.459 -3.670 -3.670 519 3HG2 ILE 72 3HG2 ILE 72 -0.738 -5.133 -5.133 520 1HD1 ILE 72 1HD1 ILE 72 -0.812 -3.069 -3.069 521 2HD1 ILE 72 3HD1 ILE 72 -1.469 -2.194 -2.194 522 3HD1 ILE 72 2HD1 ILE 72 -0.365 -1.381 -1.381 523 H ALA 73 H ALA 73 0.978 -6.942 -6.942 524 HA ALA 73 HA ALA 73 0.116 -8.500 -8.500 525 1HB ALA 73 1HB ALA 73 -0.366 -9.007 -9.007 526 2HB ALA 73 3HB ALA 73 1.337 -9.431 -9.431 527 3HB ALA 73 2HB ALA 73 0.344 -10.417 -10.417 528 H THR 74 H THR 74 3.431 -8.207 -8.207 529 HA THR 74 HA THR 74 4.493 -10.275 -10.275 530 HB THR 74 HB THR 74 5.997 -8.036 -8.036 531 HG1 THR 74 HG1 THR 74 4.738 -9.207 -9.207 532 1HG2 THR 74 2HG2 THR 74 6.807 -10.831 -10.831 533 2HG2 THR 74 1HG2 THR 74 7.823 -9.726 -9.726 534 3HG2 THR 74 3HG2 THR 74 7.347 -9.299 -9.299 535 H TYR 75 H TYR 75 4.828 -6.689 -6.689 536 HA TYR 75 HA TYR 75 6.175 -6.341 -6.341 537 1HB TYR 75 2HB TYR 75 5.916 -4.564 -4.564 538 2HB TYR 75 1HB TYR 75 4.173 -4.587 -4.587 539 HD1 TYR 75 HD1 TYR 75 7.209 -3.783 -3.783 540 HD2 TYR 75 HD2 TYR 75 2.919 -3.480 -3.480 541 HE1 TYR 75 HE1 TYR 75 7.204 -2.066 -2.066 542 HE2 TYR 75 HE2 TYR 75 2.915 -1.918 -1.918 543 HH TYR 75 HH TYR 75 4.153 -0.894 -0.894 544 H VAL 76 H VAL 76 2.579 -6.611 -6.611 545 HA VAL 76 HA VAL 76 2.073 -6.006 -6.006 546 HB VAL 76 HB VAL 76 0.124 -7.513 -7.513 547 1HG1 VAL 76 2HG1 VAL 76 -0.036 -5.165 -5.165 548 2HG1 VAL 76 1HG1 VAL 76 0.461 -5.574 -5.574 549 3HG1 VAL 76 3HG1 VAL 76 -1.085 -6.170 -6.170 550 1HG2 VAL 76 2HG2 VAL 76 0.982 -9.252 -9.252 551 2HG2 VAL 76 1HG2 VAL 76 -0.598 -8.590 -8.590 552 3HG2 VAL 76 3HG2 VAL 76 0.838 -8.067 -8.067 553 H LYS 77 HN LYS 77 3.366 -9.018 -9.018 554 HA LYS 77 HA LYS 77 3.418 -10.169 -10.169 555 1HB LYS 77 2HB LYS 77 3.895 -12.303 -12.303 556 2HB LYS 77 1HB LYS 77 2.327 -11.631 -11.631 557 1HG LYS 77 2HG LYS 77 3.145 -10.941 -10.941 558 2HG LYS 77 1HG LYS 77 4.809 -11.347 -11.347 559 1HD LYS 77 2HD LYS 77 4.120 -13.753 -13.753 560 2HD LYS 77 1HD LYS 77 2.485 -13.296 -13.296 561 1HE LYS 77 1HE LYS 77 3.677 -14.165 -14.165 562 2HE LYS 77 2HE LYS 77 3.448 -12.425 -12.425 563 1HZ LYS 77 2HZ LYS 77 5.735 -12.127 -12.127 564 2HZ LYS 77 3HZ LYS 77 5.902 -13.752 -13.752 565 3HZ LYS 77 1HZ LYS 77 5.660 -13.106 -13.106 566 H ASP 78 HN ASP 78 5.329 -8.311 -8.311 567 HA ASP 78 HA ASP 78 7.873 -9.283 -9.283 568 1HB ASP 78 1HB ASP 78 7.366 -8.609 -8.609 569 2HB ASP 78 2HB ASP 78 8.965 -8.817 -8.817 570 HA PRO 79 HA PRO 79 7.083 -4.601 -4.601 571 1HB PRO 79 1HB PRO 79 7.223 -4.431 -4.431 572 2HB PRO 79 2HB PRO 79 5.709 -4.586 -4.586 573 1HG PRO 79 1HG PRO 79 7.386 -6.769 -6.769 574 2HG PRO 79 2HG PRO 79 5.619 -6.546 -6.546 575 1HD PRO 79 1HD PRO 79 6.659 -8.335 -8.335 576 2HD PRO 79 2HD PRO 79 5.300 -7.285 -7.285 577 H GLY 80 H GLY 80 8.938 -3.361 -3.361 578 1HA GLY 80 1HA GLY 80 11.106 -2.720 -2.720 579 2HA GLY 80 2HA GLY 80 11.255 -4.058 -4.058 580 H ALA 81 H ALA 81 11.032 -6.314 -6.314 581 HA ALA 81 HA ALA 81 13.297 -6.837 -6.837 582 1HB ALA 81 3HB ALA 81 10.632 -8.298 -8.298 583 2HB ALA 81 1HB ALA 81 12.159 -8.956 -8.956 584 3HB ALA 81 2HB ALA 81 11.995 -8.578 -8.578 585 H PHE 82 H PHE 82 10.019 -6.225 -6.225 586 HA PHE 82 HA PHE 82 10.912 -6.491 -6.491 587 1HB PHE 82 2HB PHE 82 8.472 -6.226 -6.226 588 2HB PHE 82 1HB PHE 82 8.774 -4.500 -4.500 589 HD1 PHE 82 HD1 PHE 82 9.085 -7.681 -7.681 590 HD2 PHE 82 HD2 PHE 82 8.424 -3.422 -3.422 591 HE1 PHE 82 HE1 PHE 82 8.700 -7.833 -7.833 592 HE2 PHE 82 HE2 PHE 82 8.096 -3.586 -3.586 593 HZ PHE 82 HZ PHE 82 8.199 -5.789 -5.789 594 H LEU 83 H LEU 83 11.051 -3.696 -3.696 595 HA LEU 83 HA LEU 83 11.723 -1.715 -1.715 596 1HB LEU 83 1HB LEU 83 12.377 -1.643 -1.643 597 2HB LEU 83 2HB LEU 83 12.321 -0.335 -0.335 598 HG LEU 83 HG LEU 83 10.010 -1.916 -1.916 599 1HD1 LEU 83 2HD1 LEU 83 10.835 1.031 1.031 600 2HD1 LEU 83 3HD1 LEU 83 9.330 0.416 0.416 601 3HD1 LEU 83 1HD1 LEU 83 10.891 -0.088 -0.088 602 1HD2 LEU 83 1HD2 LEU 83 9.948 0.094 0.094 603 2HD2 LEU 83 2HD2 LEU 83 9.485 -1.624 -1.624 604 3HD2 LEU 83 3HD2 LEU 83 8.515 -0.514 -0.514 605 H LYS 84 HN LYS 84 13.425 -3.417 -3.417 606 HA LYS 84 HA LYS 84 16.059 -2.673 -2.673 607 1HB LYS 84 2HB LYS 84 15.030 -5.375 -5.375 608 2HB LYS 84 1HB LYS 84 16.703 -4.819 -4.819 609 1HG LYS 84 1HG LYS 84 16.070 -3.026 -3.026 610 2HG LYS 84 2HG LYS 84 14.351 -3.273 -3.273 611 1HD LYS 84 2HD LYS 84 14.558 -5.577 -5.577 612 2HD LYS 84 1HD LYS 84 16.226 -5.173 -5.173 613 1HE LYS 84 1HE LYS 84 13.669 -3.808 -3.808 614 2HE LYS 84 2HE LYS 84 14.752 -4.835 -4.835 615 1HZ LYS 84 1HZ LYS 84 16.463 -3.153 -3.153 616 2HZ LYS 84 3HZ LYS 84 15.372 -2.213 -2.213 617 3HZ LYS 84 2HZ LYS 84 15.150 -2.554 -2.554 618 H GLU 85 HN GLU 85 14.285 -5.368 -5.368 619 HA GLU 85 HA GLU 85 16.369 -6.215 -6.215 620 1HB GLU 85 2HB GLU 85 14.398 -7.565 -7.565 621 2HB GLU 85 1HB GLU 85 13.328 -6.380 -6.380 622 1HG GLU 85 2HG GLU 85 14.436 -6.813 -6.813 623 2HG GLU 85 1HG GLU 85 15.436 -8.044 -8.044 624 H LYS 86 HN LYS 86 13.435 -4.305 -4.305 625 HA LYS 86 HA LYS 86 14.309 -3.751 -3.751 626 1HB LYS 86 1HB LYS 86 12.410 -2.180 -2.180 627 2HB LYS 86 2HB LYS 86 12.551 -1.983 -1.983 628 1HG LYS 86 1HG LYS 86 11.727 -4.586 -4.586 629 2HG LYS 86 2HG LYS 86 10.616 -3.378 -3.378 630 1HD LYS 86 2HD LYS 86 12.620 -4.927 -4.927 631 2HD LYS 86 1HD LYS 86 10.935 -5.365 -5.365 632 1HE LYS 86 2HE LYS 86 11.902 -2.783 -2.783 633 2HE LYS 86 1HE LYS 86 11.270 -4.211 -4.211 634 1HZ LYS 86 2HZ LYS 86 9.183 -3.890 -3.890 635 2HZ LYS 86 1HZ LYS 86 9.762 -2.544 -2.544 636 3HZ LYS 86 3HZ LYS 86 9.597 -2.566 -2.566 637 H LEU 87 H LEU 87 14.863 -1.832 -1.832 638 HA LEU 87 HA LEU 87 16.208 0.274 0.274 639 1HB LEU 87 1HB LEU 87 14.547 0.456 0.456 640 2HB LEU 87 2HB LEU 87 15.959 0.132 0.132 641 HG LEU 87 HG LEU 87 14.998 2.555 2.555 642 1HD1 LEU 87 1HD2 LEU 87 16.781 2.139 2.139 643 2HD1 LEU 87 3HD2 LEU 87 17.976 2.090 2.090 644 3HD1 LEU 87 2HD2 LEU 87 17.088 3.580 3.580 645 1HD2 LEU 87 2HD1 LEU 87 15.380 2.410 2.410 646 2HD2 LEU 87 1HD1 LEU 87 16.188 3.778 3.778 647 3HD2 LEU 87 3HD1 LEU 87 17.133 2.357 2.357 648 H ASP 88 HN ASP 88 17.202 -2.727 -2.727 649 HA ASP 88 HA ASP 88 19.027 -3.699 -3.699 650 1HB ASP 88 2HB ASP 88 19.553 -3.270 -3.270 651 2HB ASP 88 1HB ASP 88 20.099 -1.642 -1.642 652 H ASP 89 HN ASP 89 18.152 -2.295 -2.295 653 HA ASP 89 HA ASP 89 20.548 -1.076 -1.076 654 1HB ASP 89 1HB ASP 89 19.344 0.753 0.753 655 2HB ASP 89 2HB ASP 89 17.806 0.162 0.162 656 H LYS 90 HN LYS 90 20.923 -2.239 -2.239 657 HA LYS 90 HA LYS 90 19.212 -4.003 -4.003 658 1HB LYS 90 2HB LYS 90 21.712 -3.999 -3.999 659 2HB LYS 90 1HB LYS 90 21.691 -2.569 -2.569 660 1HG LYS 90 1HG LYS 90 20.541 -3.884 -3.884 661 2HG LYS 90 2HG LYS 90 20.473 -5.285 -5.285 662 1HD LYS 90 2HD LYS 90 22.958 -5.366 -5.366 663 2HD LYS 90 1HD LYS 90 23.036 -3.907 -3.907 664 1HE LYS 90 2HE LYS 90 23.438 -5.867 -5.867 665 2HE LYS 90 1HE LYS 90 21.913 -5.105 -5.105 666 1HZ LYS 90 3HZ LYS 90 22.178 -7.460 -7.460 667 2HZ LYS 90 1HZ LYS 90 21.744 -7.482 -7.482 668 3HZ LYS 90 2HZ LYS 90 20.759 -6.770 -6.770 669 H LYS 91 HN LYS 91 19.621 -0.491 -0.491 670 HA LYS 91 HA LYS 91 18.209 -0.532 -0.532 671 1HB LYS 91 1HB LYS 91 19.504 1.753 1.753 672 2HB LYS 91 2HB LYS 91 18.828 1.849 1.849 673 1HG LYS 91 1HG LYS 91 20.520 0.301 0.301 674 2HG LYS 91 2HG LYS 91 21.148 0.019 0.019 675 1HD LYS 91 2HD LYS 91 22.615 1.543 1.543 676 2HD LYS 91 1HD LYS 91 21.834 2.364 2.364 677 1HE LYS 91 1HE LYS 91 20.271 3.496 3.496 678 2HE LYS 91 2HE LYS 91 20.926 2.582 2.582 679 1HZ LYS 91 1HZ LYS 91 22.405 4.497 4.497 680 2HZ LYS 91 2HZ LYS 91 21.830 4.775 4.775 681 3HZ LYS 91 3HZ LYS 91 23.022 3.662 3.662 682 H ALA 92 H ALA 92 17.080 -0.820 -0.820 683 HA ALA 92 HA ALA 92 15.186 1.360 1.360 684 1HB ALA 92 1HB ALA 92 15.938 0.278 0.278 685 2HB ALA 92 3HB ALA 92 15.060 -1.192 -1.192 686 3HB ALA 92 2HB ALA 92 14.178 0.310 0.310 687 H LYS 93 HN LYS 93 14.378 1.162 1.162 688 HA LYS 93 HA LYS 93 12.548 -1.099 -1.099 689 1HB LYS 93 1HB LYS 93 13.308 1.401 1.401 690 2HB LYS 93 2HB LYS 93 12.285 0.084 0.084 691 1HG LYS 93 1HG LYS 93 14.137 -1.513 -1.513 692 2HG LYS 93 2HG LYS 93 15.190 -0.238 -0.238 693 1HD LYS 93 2HD LYS 93 14.962 1.038 1.038 694 2HD LYS 93 1HD LYS 93 13.939 -0.252 -0.252 695 1HE LYS 93 1HE LYS 93 15.819 -1.870 -1.870 696 2HE LYS 93 2HE LYS 93 16.835 -0.576 -0.576 697 1HZ LYS 93 3HZ LYS 93 16.626 0.571 0.571 698 2HZ LYS 93 2HZ LYS 93 15.682 -0.630 -0.630 699 3HZ LYS 93 1HZ LYS 93 17.253 -0.935 -0.935 700 H THR 94 H THR 94 10.216 -0.745 -0.745 701 HA THR 94 HA THR 94 9.049 1.695 1.695 702 HB THR 94 HB THR 94 8.379 -0.217 -0.217 703 HG1 THR 94 HG1 THR 94 6.187 -0.132 -0.132 704 1HG2 THR 94 2HG2 THR 94 8.965 -2.072 -2.072 705 2HG2 THR 94 3HG2 THR 94 7.603 -1.625 -1.625 706 3HG2 THR 94 1HG2 THR 94 7.312 -2.205 -2.205 707 H GLY 95 H GLY 95 7.379 2.600 2.600 708 1HA GLY 95 1HA GLY 95 7.496 2.298 2.298 709 2HA GLY 95 2HA GLY 95 6.218 3.105 3.105 710 H MET 96 H MET 96 5.875 0.486 0.486 711 HA MET 96 HA MET 96 3.765 -0.612 -0.612 712 1HB MET 96 2HB MET 96 4.144 -0.368 -0.368 713 2HB MET 96 1HB MET 96 5.205 -1.756 -1.756 714 1HG MET 96 1HG MET 96 3.535 -3.250 -3.250 715 2HG MET 96 2HG MET 96 2.459 -2.040 -2.040 716 1HE MET 96 1HE MET 96 3.168 -4.294 -4.294 717 2HE MET 96 2HE MET 96 1.534 -4.421 -4.421 718 3HE MET 96 3HE MET 96 1.736 -3.905 -3.905 719 H ALA 97 H ALA 97 5.121 -1.070 -1.070 720 HA ALA 97 HA ALA 97 6.683 -3.533 -3.533 721 1HB ALA 97 2HB ALA 97 7.065 -1.714 -1.714 722 2HB ALA 97 1HB ALA 97 5.424 -1.922 -1.922 723 3HB ALA 97 3HB ALA 97 6.625 -3.220 -3.220 724 H PHE 98 H PHE 98 4.681 -4.406 -4.406 725 HA PHE 98 HA PHE 98 3.261 -6.374 -6.374 726 1HB PHE 98 1HB PHE 98 1.711 -4.626 -4.626 727 2HB PHE 98 2HB PHE 98 1.875 -3.870 -3.870 728 HD1 PHE 98 HD2 PHE 98 0.754 -4.722 -4.722 729 HD2 PHE 98 HD1 PHE 98 0.245 -6.648 -6.648 730 HE1 PHE 98 HE2 PHE 98 -0.875 -6.270 -6.270 731 HE2 PHE 98 HE1 PHE 98 -1.517 -8.096 -8.096 732 HZ PHE 98 HZ PHE 98 -2.084 -7.919 -7.919 733 H LYS 99 HN LYS 99 2.407 -7.978 -7.978 734 HA LYS 99 HA LYS 99 2.541 -7.410 -7.410 735 1HB LYS 99 2HB LYS 99 3.479 -10.010 -10.010 736 2HB LYS 99 1HB LYS 99 4.423 -8.607 -8.607 737 1HG LYS 99 2HG LYS 99 5.247 -8.393 -8.393 738 2HG LYS 99 1HG LYS 99 4.236 -9.783 -9.783 739 1HD LYS 99 2HD LYS 99 5.452 -11.215 -11.215 740 2HD LYS 99 1HD LYS 99 6.436 -9.833 -9.833 741 1HE LYS 99 2HE LYS 99 7.337 -9.640 -9.640 742 2HE LYS 99 1HE LYS 99 6.379 -11.056 -11.056 743 1HZ LYS 99 3HZ LYS 99 8.475 -11.015 -11.015 744 2HZ LYS 99 2HZ LYS 99 8.623 -11.636 -11.636 745 3HZ LYS 99 1HZ LYS 99 7.590 -12.333 -12.333 746 H LEU 100 H LEU 100 1.143 -8.797 -8.797 747 HA LEU 100 HA LEU 100 -0.728 -10.436 -10.436 748 1HB LEU 100 1HB LEU 100 -1.763 -8.438 -8.438 749 2HB LEU 100 2HB LEU 100 -1.165 -8.956 -8.956 750 HG LEU 100 HG LEU 100 -2.471 -11.082 -11.082 751 1HD1 LEU 100 1HD2 LEU 100 -3.572 -9.795 -9.795 752 2HD1 LEU 100 2HD2 LEU 100 -4.314 -11.174 -11.174 753 3HD1 LEU 100 3HD2 LEU 100 -2.716 -11.349 -11.349 754 1HD2 LEU 100 1HD1 LEU 100 -3.352 -9.080 -9.080 755 2HD2 LEU 100 3HD1 LEU 100 -4.609 -10.135 -10.135 756 3HD2 LEU 100 2HD1 LEU 100 -4.208 -8.617 -8.617 757 H ALA 101 H ALA 101 0.115 -12.483 -12.483 758 HA ALA 101 HA ALA 101 1.631 -13.226 -13.226 759 1HB ALA 101 1HB ALA 101 2.262 -13.973 -13.973 760 2HB ALA 101 2HB ALA 101 0.737 -14.879 -14.879 761 3HB ALA 101 3HB ALA 101 1.949 -15.341 -15.341 762 H LYS 102 HN LYS 102 -0.838 -12.449 -12.449 763 HA LYS 102 HA LYS 102 -1.761 -14.546 -14.546 764 1HB LYS 102 2HB LYS 102 -3.987 -15.002 -15.002 765 2HB LYS 102 1HB LYS 102 -2.784 -15.531 -15.531 766 1HG LYS 102 2HG LYS 102 -3.102 -13.400 -13.400 767 2HG LYS 102 1HG LYS 102 -4.404 -12.941 -12.941 768 1HD LYS 102 1HD LYS 102 -4.304 -15.317 -15.317 769 2HD LYS 102 2HD LYS 102 -5.347 -13.894 -13.894 770 1HE LYS 102 2HE LYS 102 -5.497 -16.150 -16.150 771 2HE LYS 102 1HE LYS 102 -6.663 -15.761 -15.761 772 1HZ LYS 102 1HZ LYS 102 -6.026 -14.040 -14.040 773 2HZ LYS 102 2HZ LYS 102 -7.370 -14.978 -14.978 774 3HZ LYS 102 3HZ LYS 102 -7.134 -13.703 -13.703 775 H GLY 103 H GLY 103 -4.270 -13.701 -13.701 776 1HA GLY 103 1HA GLY 103 -5.626 -11.967 -11.967 777 2HA GLY 103 2HA GLY 103 -4.622 -10.831 -10.831 778 H GLY 104 H GLY 104 -2.195 -11.015 -11.015 779 1HA GLY 104 1HA GLY 104 -1.538 -9.339 -9.339 780 2HA GLY 104 2HA GLY 104 -0.984 -10.956 -10.956 781 H GLU 105 HN GLU 105 -2.567 -12.159 -12.159 782 HA GLU 105 HA GLU 105 -2.773 -10.605 -10.605 783 1HB GLU 105 1HB GLU 105 -3.764 -12.594 -12.594 784 2HB GLU 105 2HB GLU 105 -2.316 -12.967 -12.967 785 1HG GLU 105 2HG GLU 105 -3.854 -13.729 -13.729 786 2HG GLU 105 1HG GLU 105 -5.212 -13.521 -13.521 787 H ASP 106 HN ASP 106 -5.269 -11.679 -11.679 788 HA ASP 106 HA ASP 106 -7.539 -10.793 -10.793 789 1HB ASP 106 1HB ASP 106 -7.310 -11.281 -11.281 790 2HB ASP 106 2HB ASP 106 -8.784 -11.224 -11.224 791 H VAL 107 H VAL 107 -5.686 -9.516 -9.516 792 HA VAL 107 HA VAL 107 -7.174 -7.084 -7.084 793 HB VAL 107 HB VAL 107 -4.345 -7.808 -7.808 794 1HG1 VAL 107 3HG1 VAL 107 -6.128 -5.427 -5.427 795 2HG1 VAL 107 1HG1 VAL 107 -4.732 -5.927 -5.927 796 3HG1 VAL 107 2HG1 VAL 107 -4.493 -5.385 -5.385 797 1HG2 VAL 107 2HG2 VAL 107 -6.203 -9.192 -9.192 798 2HG2 VAL 107 1HG2 VAL 107 -5.402 -8.155 -8.155 799 3HG2 VAL 107 3HG2 VAL 107 -6.982 -7.690 -7.690 800 H ALA 108 H ALA 108 -4.204 -7.881 -7.881 801 HA ALA 108 HA ALA 108 -3.762 -5.281 -5.281 802 1HB ALA 108 2HB ALA 108 -3.195 -8.010 -8.010 803 2HB ALA 108 3HB ALA 108 -2.581 -6.461 -6.461 804 3HB ALA 108 1HB ALA 108 -2.104 -7.039 -7.039 805 H ALA 109 H ALA 109 -5.682 -8.020 -8.020 806 HA ALA 109 HA ALA 109 -6.662 -6.671 -6.671 807 1HB ALA 109 1HB ALA 109 -8.033 -8.814 -8.814 808 2HB ALA 109 3HB ALA 109 -8.491 -8.322 -8.322 809 3HB ALA 109 2HB ALA 109 -6.910 -9.072 -9.072 810 H TYR 110 H TYR 110 -7.984 -6.760 -6.760 811 HA TYR 110 HA TYR 110 -10.255 -5.154 -5.154 812 1HB TYR 110 1HB TYR 110 -10.071 -6.388 -6.388 813 2HB TYR 110 2HB TYR 110 -8.646 -5.481 -5.481 814 HD1 TYR 110 HD1 TYR 110 -12.150 -4.746 -4.746 815 HD2 TYR 110 HD2 TYR 110 -9.020 -3.812 -3.812 816 HE1 TYR 110 HE1 TYR 110 -13.584 -3.020 -3.020 817 HE2 TYR 110 HE2 TYR 110 -10.511 -2.160 -2.160 818 HH TYR 110 HH TYR 110 -13.921 -1.815 -1.815 819 H LEU 111 H LEU 111 -6.978 -4.191 -4.191 820 HA LEU 111 HA LEU 111 -7.469 -1.417 -1.417 821 1HB LEU 111 1HB LEU 111 -4.951 -3.061 -3.061 822 2HB LEU 111 2HB LEU 111 -4.898 -1.298 -1.298 823 HG LEU 111 HG LEU 111 -6.252 -2.854 -2.854 824 1HD1 LEU 111 3HD1 LEU 111 -3.344 -1.965 -1.965 825 2HD1 LEU 111 2HD1 LEU 111 -4.164 -2.635 -2.635 826 3HD1 LEU 111 1HD1 LEU 111 -3.928 -3.643 -3.643 827 1HD2 LEU 111 3HD2 LEU 111 -5.074 -0.045 -0.045 828 2HD2 LEU 111 2HD2 LEU 111 -6.792 -0.442 -0.442 829 3HD2 LEU 111 1HD2 LEU 111 -5.688 -0.744 -0.744 830 H ALA 112 H ALA 112 -6.483 -3.458 -3.458 831 HA ALA 112 HA ALA 112 -6.286 -1.248 -1.248 832 1HB ALA 112 2HB ALA 112 -5.405 -3.488 -3.488 833 2HB ALA 112 1HB ALA 112 -7.052 -4.148 -4.148 834 3HB ALA 112 3HB ALA 112 -6.544 -2.942 -2.942 835 H SER 113 H SER 113 -9.007 -3.478 -3.478 836 HA SER 113 HA SER 113 -10.962 -2.345 -2.345 837 1HB SER 113 2HB SER 113 -11.437 -3.578 -3.578 838 2HB SER 113 1HB SER 113 -12.592 -3.438 -3.438 839 HG SER 113 HG SER 113 -10.183 -4.963 -4.963 840 H VAL 114 H VAL 114 -9.931 -1.292 -1.292 841 HA VAL 114 HA VAL 114 -11.972 0.483 0.483 842 HB VAL 114 HB VAL 114 -9.061 0.094 0.094 843 1HG1 VAL 114 1HG2 VAL 114 -10.751 2.248 2.248 844 2HG1 VAL 114 3HG2 VAL 114 -9.177 1.664 1.664 845 3HG1 VAL 114 2HG2 VAL 114 -9.253 2.467 2.467 846 1HG2 VAL 114 2HG1 VAL 114 -10.974 -1.392 -1.392 847 2HG2 VAL 114 1HG1 VAL 114 -9.866 -0.690 -0.690 848 3HG2 VAL 114 3HG1 VAL 114 -11.473 0.024 0.024 849 H VAL 115 H VAL 115 -9.378 0.862 0.862 850 HA VAL 115 HA VAL 115 -9.376 3.735 3.735 851 HB VAL 115 HB VAL 115 -8.594 1.791 1.791 852 1HG1 VAL 115 2HG1 VAL 115 -7.878 4.724 4.724 853 2HG1 VAL 115 3HG1 VAL 115 -7.170 3.677 3.677 854 3HG1 VAL 115 1HG1 VAL 115 -8.881 4.101 4.101 855 1HG2 VAL 115 3HG2 VAL 115 -6.957 3.112 3.112 856 2HG2 VAL 115 1HG2 VAL 115 -7.288 1.379 1.379 857 3HG2 VAL 115 2HG2 VAL 115 -6.280 2.170 2.170 858 H LYS 116 HN LYS 116 -11.582 4.222 4.222 859 HA LYS 116 HA LYS 116 -13.091 4.334 4.334 860 1HB LYS 116 1HB LYS 116 -14.091 4.028 4.028 861 2HB LYS 116 2HB LYS 116 -15.115 4.343 4.343 862 1HG LYS 116 2HG LYS 116 -14.585 2.206 2.206 863 2HG LYS 116 1HG LYS 116 -13.382 1.836 1.836 864 1HD LYS 116 1HD LYS 116 -16.252 2.485 2.485 865 2HD LYS 116 2HD LYS 116 -15.820 0.850 0.850 866 1HE LYS 116 2HE LYS 116 -14.126 2.171 2.171 867 2HE LYS 116 1HE LYS 116 -15.728 1.569 1.569 868 1HZ LYS 116 3HZ LYS 116 -15.116 -0.567 -0.567 869 2HZ LYS 116 1HZ LYS 116 -13.622 -0.016 -0.016 870 3HZ LYS 116 2HZ LYS 116 -14.056 -0.084 -0.084 871 HHA HEC 117 HHA HEM 117 3.049 2.528 2.528 872 HHB HEC 117 HHB HEM 117 -0.690 -1.913 -1.913 873 HHC HEC 117 HHC HEM 117 -2.367 -3.871 -3.871 874 HHD HEC 117 HHD HEM 117 1.399 0.680 0.680 875 1HMA HEC 117 1HMA HEM 117 0.065 -0.469 -0.469 876 2HMA HEC 117 2HMA HEM 117 1.646 0.232 0.232 877 3HMA HEC 117 3HMA HEM 117 1.536 -1.468 -1.468 878 1HAA HEC 117 1HAA HEM 117 3.649 2.286 2.286 879 2HAA HEC 117 2HAA HEM 117 3.272 1.431 1.431 880 1HBA HEC 117 1HBA HEM 117 1.454 3.520 3.520 881 2HBA HEC 117 2HBA HEM 117 1.188 2.702 2.702 882 1HMB HEC 117 1HMB HEM 117 -2.983 -4.786 -4.786 883 2HMB HEC 117 2HMB HEM 117 -1.911 -3.689 -3.689 884 3HMB HEC 117 3HMB HEM 117 -3.513 -3.125 -3.125 885 HAB HEC 117 HAB HEM 117 -3.280 -5.534 -5.534 886 1HBB HEC 117 1HBB HEM 117 -3.907 -5.223 -5.223 887 2HBB HEC 117 2HBB HEM 117 -4.270 -6.515 -6.515 888 3HBB HEC 117 3HBB HEM 117 -2.586 -6.122 -6.122 889 1HMC HEC 117 1HMC HEM 117 -3.065 -2.756 -2.756 890 2HMC HEC 117 2HMC HEM 117 -2.471 -4.169 -4.169 891 3HMC HEC 117 3HMC HEM 117 -1.683 -3.695 -3.695 892 HAC HEC 117 HAC HEM 117 -0.790 -1.872 -1.872 893 1HBC HEC 117 1HBC HEM 117 0.610 -0.552 -0.552 894 2HBC HEC 117 2HBC HEM 117 1.594 -0.874 -0.874 895 3HBC HEC 117 3HBC HEM 117 0.737 0.693 0.693 896 1HMD HEC 117 1HMD HEM 117 3.742 3.502 3.502 897 2HMD HEC 117 2HMD HEM 117 3.205 2.035 2.035 898 3HMD HEC 117 3HMD HEM 117 2.050 3.350 3.350 899 1HAD HEC 117 1HAD HEM 117 3.865 4.420 4.420 900 2HAD HEC 117 2HAD HEM 117 3.463 4.265 4.265 901 1HBD HEC 117 1HBD HEM 117 5.319 2.788 2.788 902 2HBD HEC 117 2HBD HEM 117 5.474 2.432 2.432 Start of MODEL 18 1 1H GLY 1 1H GLY 1 -5.309 -12.825 -12.825 2 2H GLY 1 2H GLY 1 -6.281 -12.481 -12.481 3 1HA GLY 1 1HA GLY 1 -6.414 -10.623 -10.623 4 2HA GLY 1 2HA GLY 1 -6.797 -11.777 -11.777 5 H ASP 2 HN ASP 2 -8.203 -12.711 -12.711 6 HA ASP 2 HA ASP 2 -10.897 -12.216 -12.216 7 1HB ASP 2 1HB ASP 2 -10.210 -14.250 -14.250 8 2HB ASP 2 2HB ASP 2 -9.980 -13.281 -13.281 9 H ALA 3 H ALA 3 -10.720 -9.906 -9.906 10 HA ALA 3 HA ALA 3 -10.320 -7.997 -7.997 11 1HB ALA 3 3HB ALA 3 -10.975 -7.541 -7.541 12 2HB ALA 3 1HB ALA 3 -12.641 -8.062 -8.062 13 3HB ALA 3 2HB ALA 3 -11.982 -6.606 -6.606 14 H ALA 4 H ALA 4 -13.192 -10.138 -10.138 15 HA ALA 4 HA ALA 4 -14.663 -8.594 -8.594 16 1HB ALA 4 2HB ALA 4 -15.761 -10.247 -10.247 17 2HB ALA 4 1HB ALA 4 -14.888 -11.563 -11.563 18 3HB ALA 4 3HB ALA 4 -16.042 -10.574 -10.574 19 H LYS 5 HN LYS 5 -12.446 -11.448 -11.448 20 HA LYS 5 HA LYS 5 -12.521 -11.601 -11.601 21 1HB LYS 5 1HB LYS 5 -10.381 -12.432 -12.432 22 2HB LYS 5 2HB LYS 5 -10.281 -12.664 -12.664 23 1HG LYS 5 1HG LYS 5 -12.241 -14.062 -14.062 24 2HG LYS 5 2HG LYS 5 -12.563 -13.769 -13.769 25 1HD LYS 5 2HD LYS 5 -11.566 -15.978 -15.978 26 2HD LYS 5 1HD LYS 5 -10.579 -15.023 -15.023 27 1HE LYS 5 1HE LYS 5 -9.966 -15.110 -15.110 28 2HE LYS 5 2HE LYS 5 -9.428 -16.392 -16.392 29 1HZ LYS 5 3HZ LYS 5 -8.271 -14.779 -14.779 30 2HZ LYS 5 2HZ LYS 5 -8.706 -13.562 -13.562 31 3HZ LYS 5 1HZ LYS 5 -7.744 -14.775 -14.775 32 H GLY 6 H GLY 6 -10.505 -9.787 -9.787 33 1HA GLY 6 1HA GLY 6 -8.702 -8.571 -8.571 34 2HA GLY 6 2HA GLY 6 -9.303 -7.835 -7.835 35 H GLU 7 HN GLU 7 -11.903 -7.344 -7.344 36 HA GLU 7 HA GLU 7 -12.029 -5.054 -5.054 37 1HB GLU 7 1HB GLU 7 -13.519 -5.567 -5.567 38 2HB GLU 7 2HB GLU 7 -14.331 -6.811 -6.811 39 1HG GLU 7 2HG GLU 7 -15.156 -5.152 -5.152 40 2HG GLU 7 1HG GLU 7 -14.187 -3.880 -3.880 41 H LYS 8 HN LYS 8 -13.305 -8.360 -8.360 42 HA LYS 8 HA LYS 8 -14.428 -7.846 -7.846 43 1HB LYS 8 1HB LYS 8 -13.192 -10.360 -10.360 44 2HB LYS 8 2HB LYS 8 -14.023 -10.305 -10.305 45 1HG LYS 8 2HG LYS 8 -16.107 -9.635 -9.635 46 2HG LYS 8 1HG LYS 8 -15.345 -9.327 -9.327 47 1HD LYS 8 1HD LYS 8 -16.596 -11.432 -11.432 48 2HD LYS 8 2HD LYS 8 -14.878 -11.673 -11.673 49 1HE LYS 8 2HE LYS 8 -15.801 -13.428 -13.428 50 2HE LYS 8 1HE LYS 8 -14.527 -12.514 -12.514 51 1HZ LYS 8 2HZ LYS 8 -17.419 -12.094 -12.094 52 2HZ LYS 8 1HZ LYS 8 -16.426 -12.869 -12.869 53 3HZ LYS 8 3HZ LYS 8 -16.229 -11.259 -11.259 54 H GLU 9 HN GLU 9 -11.151 -9.065 -9.065 55 HA GLU 9 HA GLU 9 -10.105 -9.099 -9.099 56 1HB GLU 9 1HB GLU 9 -9.121 -10.161 -10.161 57 2HB GLU 9 2HB GLU 9 -8.603 -8.557 -8.557 58 1HG GLU 9 2HG GLU 9 -7.215 -8.325 -8.325 59 2HG GLU 9 1HG GLU 9 -7.770 -9.918 -9.918 60 H PHE 10 H PHE 10 -10.329 -6.441 -6.441 61 HA PHE 10 HA PHE 10 -8.724 -4.641 -4.641 62 1HB PHE 10 2HB PHE 10 -9.943 -4.474 -4.474 63 2HB PHE 10 1HB PHE 10 -11.178 -3.615 -3.615 64 HD1 PHE 10 HD2 PHE 10 -7.584 -3.710 -3.710 65 HD2 PHE 10 HD1 PHE 10 -10.641 -1.371 -1.371 66 HE1 PHE 10 HE2 PHE 10 -6.087 -1.740 -1.740 67 HE2 PHE 10 HE1 PHE 10 -9.108 0.597 0.597 68 HZ PHE 10 HZ PHE 10 -6.877 0.437 0.437 69 H ASN 11 H ASN 11 -11.822 -5.782 -5.782 70 HA ASN 11 HA ASN 11 -12.584 -3.542 -3.542 71 1HB ASN 11 2HB ASN 11 -13.235 -6.505 -6.505 72 2HB ASN 11 1HB ASN 11 -13.848 -5.253 -5.253 73 1HD2 ASN 11 1HD2 ASN 11 -15.267 -5.305 -5.305 74 2HD2 ASN 11 2HD2 ASN 11 -13.770 -6.147 -6.147 75 H LYS 12 HN LYS 12 -10.036 -5.917 -5.917 76 HA LYS 12 HA LYS 12 -9.603 -5.281 -5.281 77 1HB LYS 12 2HB LYS 12 -8.039 -7.025 -7.025 78 2HB LYS 12 1HB LYS 12 -7.754 -6.867 -6.867 79 1HG LYS 12 1HG LYS 12 -10.069 -7.710 -7.710 80 2HG LYS 12 2HG LYS 12 -10.289 -7.987 -7.987 81 1HD LYS 12 2HD LYS 12 -8.132 -9.292 -9.292 82 2HD LYS 12 1HD LYS 12 -9.671 -10.037 -10.037 83 1HE LYS 12 1HE LYS 12 -9.043 -9.800 -9.800 84 2HE LYS 12 2HE LYS 12 -7.452 -9.189 -9.189 85 1HZ LYS 12 1HZ LYS 12 -8.548 -11.824 -11.824 86 2HZ LYS 12 2HZ LYS 12 -7.391 -11.506 -11.506 87 3HZ LYS 12 3HZ LYS 12 -7.075 -11.249 -11.249 88 H CYS 13 H CYS 13 -8.070 -5.003 -5.003 89 HA CYS 13 HA CYS 13 -5.726 -3.626 -3.626 90 1HB CYS 13 2HB CYS 13 -6.755 -4.551 -4.551 91 2HB CYS 13 1HB CYS 13 -7.588 -2.971 -2.971 92 H LYS 14 HN LYS 14 -8.996 -2.203 -2.203 93 HA LYS 14 HA LYS 14 -8.455 0.456 0.456 94 1HB LYS 14 2HB LYS 14 -10.710 0.807 0.807 95 2HB LYS 14 1HB LYS 14 -10.635 -0.577 -0.577 96 1HG LYS 14 2HG LYS 14 -11.916 -1.530 -1.530 97 2HG LYS 14 1HG LYS 14 -10.336 -1.924 -1.924 98 1HD LYS 14 2HD LYS 14 -10.547 0.185 0.185 99 2HD LYS 14 1HD LYS 14 -12.176 0.388 0.388 100 1HE LYS 14 2HE LYS 14 -12.794 -1.865 -1.865 101 2HE LYS 14 1HE LYS 14 -11.153 -2.062 -2.062 102 1HZ LYS 14 3HZ LYS 14 -13.053 0.026 0.026 103 2HZ LYS 14 1HZ LYS 14 -12.667 -1.324 -1.324 104 3HZ LYS 14 2HZ LYS 14 -11.525 -0.168 -0.168 105 H THR 15 H THR 15 -7.883 -1.673 -1.673 106 HA THR 15 HA THR 15 -8.065 0.194 0.194 107 HB THR 15 HB THR 15 -6.219 -2.217 -2.217 108 HG1 THR 15 HG1 THR 15 -8.254 -2.926 -2.926 109 1HG2 THR 15 1HG2 THR 15 -7.388 -0.786 -0.786 110 2HG2 THR 15 3HG2 THR 15 -6.535 -2.342 -2.342 111 3HG2 THR 15 2HG2 THR 15 -5.667 -0.877 -0.877 112 H CYS 16 H CYS 16 -5.695 -0.124 -0.124 113 HA CYS 16 HA CYS 16 -4.017 1.993 1.993 114 1HB CYS 16 2HB CYS 16 -3.309 -0.455 -0.455 115 2HB CYS 16 1HB CYS 16 -2.297 0.989 0.989 116 H HIS 17 HN HIS 17 -5.646 0.910 0.910 117 HA HIS 17 HA HIS 17 -4.722 3.391 3.391 118 1HB HIS 17 1HB HIS 17 -5.411 0.573 0.573 119 2HB HIS 17 2HB HIS 17 -5.312 1.932 1.932 120 HD1 HIS 17 HD1 HIS 17 -2.980 3.249 3.249 121 HD2 HIS 17 HD2 HIS 17 -2.860 -0.420 -0.420 122 HE1 HIS 17 HE1 HIS 17 -0.572 2.470 2.470 123 H SER 18 H SER 18 -6.272 4.027 4.027 124 HA SER 18 HA SER 18 -9.114 3.723 3.723 125 1HB SER 18 2HB SER 18 -8.652 5.620 5.620 126 2HB SER 18 1HB SER 18 -7.462 6.268 6.268 127 HG SER 18 HG SER 18 -9.099 6.901 6.901 128 H ILE 19 H ILE 19 -10.425 4.733 4.733 129 HA ILE 19 HA ILE 19 -9.248 4.910 4.910 130 HB ILE 19 HB ILE 19 -11.633 3.143 3.143 131 1HG1 ILE 19 1HG1 ILE 19 -9.549 1.910 1.910 132 2HG1 ILE 19 2HG1 ILE 19 -10.442 1.414 1.414 133 1HG2 ILE 19 1HG2 ILE 19 -10.782 4.056 4.056 134 2HG2 ILE 19 2HG2 ILE 19 -11.938 2.766 2.766 135 3HG2 ILE 19 3HG2 ILE 19 -12.303 4.418 4.418 136 1HD1 ILE 19 1HD1 ILE 19 -8.897 2.805 2.805 137 2HD1 ILE 19 2HD1 ILE 19 -7.959 3.145 3.145 138 3HD1 ILE 19 3HD1 ILE 19 -8.103 1.489 1.489 139 H ILE 20 H ILE 20 -10.210 6.488 6.488 140 HA ILE 20 HA ILE 20 -12.265 8.135 8.135 141 HB ILE 20 HB ILE 20 -9.622 8.803 8.803 142 1HG1 ILE 20 1HG1 ILE 20 -10.543 11.271 11.271 143 2HG1 ILE 20 2HG1 ILE 20 -12.120 10.470 10.470 144 1HG2 ILE 20 2HG2 ILE 20 -9.559 8.663 8.663 145 2HG2 ILE 20 1HG2 ILE 20 -10.711 10.016 10.016 146 3HG2 ILE 20 3HG2 ILE 20 -9.120 10.245 10.245 147 1HD1 ILE 20 3HD1 ILE 20 -11.205 9.245 9.245 148 2HD1 ILE 20 1HD1 ILE 20 -9.819 10.332 10.332 149 3HD1 ILE 20 2HD1 ILE 20 -11.443 11.002 11.002 150 H ALA 21 H ALA 21 -13.900 8.914 8.914 151 HA ALA 21 HA ALA 21 -14.283 7.555 7.555 152 1HB ALA 21 2HB ALA 21 -15.690 9.923 9.923 153 2HB ALA 21 3HB ALA 21 -16.296 9.098 9.098 154 3HB ALA 21 1HB ALA 21 -16.205 8.230 8.230 155 HA PRO 22 HA PRO 22 -12.324 10.761 10.761 156 1HB PRO 22 1HB PRO 22 -14.116 11.146 11.146 157 2HB PRO 22 2HB PRO 22 -12.976 9.778 9.778 158 1HG PRO 22 2HG PRO 22 -15.896 9.819 9.819 159 2HG PRO 22 1HG PRO 22 -15.009 8.564 8.564 160 1HD PRO 22 1HD PRO 22 -15.535 8.279 8.279 161 2HD PRO 22 2HD PRO 22 -13.979 7.738 7.738 162 H ASP 23 HN ASP 23 -15.745 11.054 11.054 163 HA ASP 23 HA ASP 23 -15.980 13.858 13.858 164 1HB ASP 23 1HB ASP 23 -17.423 11.914 11.914 165 2HB ASP 23 2HB ASP 23 -18.003 13.482 13.482 166 H GLY 24 H GLY 24 -13.875 12.143 12.143 167 1HA GLY 24 1HA GLY 24 -12.581 13.023 13.023 168 2HA GLY 24 2HA GLY 24 -13.721 14.349 14.349 169 H THR 25 H THR 25 -15.969 12.143 12.143 170 HA THR 25 HA THR 25 -16.258 11.960 11.960 171 HB THR 25 HB THR 25 -17.347 9.905 9.905 172 HG1 THR 25 HG1 THR 25 -18.072 12.639 12.639 173 1HG2 THR 25 2HG2 THR 25 -18.624 11.448 11.448 174 2HG2 THR 25 1HG2 THR 25 -19.415 10.228 10.228 175 3HG2 THR 25 3HG2 THR 25 -18.087 9.754 9.754 176 H GLU 26 HN GLU 26 -15.135 10.794 10.794 177 HA GLU 26 HA GLU 26 -13.320 8.675 8.675 178 1HB GLU 26 1HB GLU 26 -13.060 8.381 8.381 179 2HB GLU 26 2HB GLU 26 -12.589 9.944 9.944 180 1HG GLU 26 2HG GLU 26 -14.526 11.052 11.052 181 2HG GLU 26 1HG GLU 26 -15.290 9.518 9.518 182 H ILE 27 H ILE 27 -14.653 7.252 7.252 183 HA ILE 27 HA ILE 27 -16.848 5.837 5.837 184 HB ILE 27 HB ILE 27 -14.705 4.770 4.770 185 1HG1 ILE 27 1HG1 ILE 27 -15.542 6.770 6.770 186 2HG1 ILE 27 2HG1 ILE 27 -16.260 5.414 5.414 187 1HG2 ILE 27 3HG2 ILE 27 -17.550 3.825 3.825 188 2HG2 ILE 27 2HG2 ILE 27 -16.544 3.288 3.288 189 3HG2 ILE 27 1HG2 ILE 27 -16.048 2.935 2.935 190 1HD1 ILE 27 3HD1 ILE 27 -18.368 5.726 5.726 191 2HD1 ILE 27 1HD1 ILE 27 -17.636 7.202 7.202 192 3HD1 ILE 27 2HD1 ILE 27 -17.973 7.085 7.085 193 H VAL 28 H VAL 28 -13.390 4.727 4.727 194 HA VAL 28 HA VAL 28 -14.187 2.886 2.886 195 HB VAL 28 HB VAL 28 -11.618 2.766 2.766 196 1HG1 VAL 28 3HG2 VAL 28 -12.785 1.038 1.038 197 2HG1 VAL 28 1HG2 VAL 28 -11.343 0.657 0.657 198 3HG1 VAL 28 2HG2 VAL 28 -11.338 2.063 2.063 199 1HG2 VAL 28 3HG1 VAL 28 -14.081 0.956 0.956 200 2HG2 VAL 28 1HG1 VAL 28 -13.605 1.983 1.983 201 3HG2 VAL 28 2HG1 VAL 28 -12.570 0.626 0.626 202 H LYS 29 HN LYS 29 -14.514 4.766 4.766 203 HA LYS 29 HA LYS 29 -12.433 6.654 6.654 204 1HB LYS 29 2HB LYS 29 -14.006 7.284 7.284 205 2HB LYS 29 1HB LYS 29 -14.648 7.382 7.382 206 1HG LYS 29 1HG LYS 29 -15.946 5.328 5.328 207 2HG LYS 29 2HG LYS 29 -15.175 5.024 5.024 208 1HD LYS 29 1HD LYS 29 -17.438 5.924 5.924 209 2HD LYS 29 2HD LYS 29 -16.225 6.997 6.997 210 1HE LYS 29 2HE LYS 29 -18.034 8.190 8.190 211 2HE LYS 29 1HE LYS 29 -16.416 8.560 8.560 212 1HZ LYS 29 2HZ LYS 29 -18.225 6.591 6.591 213 2HZ LYS 29 1HZ LYS 29 -18.018 8.139 8.139 214 3HZ LYS 29 3HZ LYS 29 -16.763 7.083 7.083 215 H GLY 30 H GLY 30 -10.970 4.622 4.622 216 1HA GLY 30 1HA GLY 30 -10.875 3.322 3.322 217 2HA GLY 30 2HA GLY 30 -9.864 3.010 3.010 218 H ALA 31 H ALA 31 -8.158 3.186 3.186 219 HA ALA 31 HA ALA 31 -7.588 5.876 5.876 220 1HB ALA 31 2HB ALA 31 -6.988 3.781 3.781 221 2HB ALA 31 3HB ALA 31 -5.818 3.425 3.425 222 3HB ALA 31 1HB ALA 31 -5.609 4.863 4.863 223 H LYS 32 HN LYS 32 -5.396 6.814 6.814 224 HA LYS 32 HA LYS 32 -4.566 6.534 6.534 225 1HB LYS 32 1HB LYS 32 -4.856 9.087 9.087 226 2HB LYS 32 2HB LYS 32 -3.981 8.950 8.950 227 1HG LYS 32 2HG LYS 32 -6.013 9.811 9.811 228 2HG LYS 32 1HG LYS 32 -6.120 8.098 8.098 229 1HD LYS 32 2HD LYS 32 -7.526 7.724 7.724 230 2HD LYS 32 1HD LYS 32 -7.359 9.431 9.431 231 1HE LYS 32 1HE LYS 32 -8.608 10.070 10.070 232 2HE LYS 32 2HE LYS 32 -8.589 8.397 8.397 233 1HZ LYS 32 3HZ LYS 32 -9.917 9.294 9.294 234 2HZ LYS 32 2HZ LYS 32 -10.666 8.942 8.942 235 3HZ LYS 32 1HZ LYS 32 -9.885 7.751 7.751 236 H THR 33 H THR 33 -3.642 4.911 4.911 237 HA THR 33 HA THR 33 -1.270 5.954 5.954 238 HB THR 33 HB THR 33 -1.879 3.048 3.048 239 HG1 THR 33 HG1 THR 33 -3.125 3.072 3.072 240 1HG2 THR 33 2HG2 THR 33 0.300 3.557 3.557 241 2HG2 THR 33 1HG2 THR 33 -0.552 4.394 4.394 242 3HG2 THR 33 3HG2 THR 33 -0.768 2.647 2.647 243 H GLY 34 H GLY 34 -2.189 4.308 4.308 244 1HA GLY 34 1HA GLY 34 0.512 4.789 4.789 245 2HA GLY 34 2HA GLY 34 -0.532 3.423 3.423 246 HA PRO 35 HA PRO 35 -1.508 7.521 7.521 247 1HB PRO 35 1HB PRO 35 -0.866 6.598 6.598 248 2HB PRO 35 2HB PRO 35 0.295 7.405 7.405 249 1HG PRO 35 2HG PRO 35 -0.137 4.436 4.436 250 2HG PRO 35 1HG PRO 35 1.386 5.369 5.369 251 1HD PRO 35 2HD PRO 35 0.750 4.156 4.156 252 2HD PRO 35 1HD PRO 35 1.324 5.834 5.834 253 H ASN 36 H ASN 36 -3.392 7.838 7.838 254 HA ASN 36 HA ASN 36 -5.444 5.850 5.850 255 1HB ASN 36 1HB ASN 36 -5.832 8.303 8.303 256 2HB ASN 36 2HB ASN 36 -5.286 8.417 8.417 257 1HD2 ASN 36 1HD2 ASN 36 -8.306 6.975 6.975 258 2HD2 ASN 36 2HD2 ASN 36 -6.716 7.588 7.588 259 H LEU 37 H LEU 37 -5.834 4.250 4.250 260 HA LEU 37 HA LEU 37 -3.878 3.899 3.899 261 1HB LEU 37 1HB LEU 37 -5.741 1.873 1.873 262 2HB LEU 37 2HB LEU 37 -4.459 1.531 1.531 263 HG LEU 37 HG LEU 37 -4.129 2.554 2.554 264 1HD1 LEU 37 2HD1 LEU 37 -3.340 -0.036 -0.036 265 2HD1 LEU 37 1HD1 LEU 37 -2.912 0.369 0.369 266 3HD1 LEU 37 3HD1 LEU 37 -4.611 0.157 0.157 267 1HD2 LEU 37 3HD2 LEU 37 -2.339 3.597 3.597 268 2HD2 LEU 37 1HD2 LEU 37 -1.691 2.391 2.391 269 3HD2 LEU 37 2HD2 LEU 37 -1.894 1.975 1.975 270 H TYR 38 H TYR 38 -6.735 5.357 5.357 271 HA TYR 38 HA TYR 38 -7.950 3.965 3.965 272 1HB TYR 38 2HB TYR 38 -9.203 5.516 5.516 273 2HB TYR 38 1HB TYR 38 -8.119 6.839 6.839 274 HD1 TYR 38 HD1 TYR 38 -10.666 4.517 4.517 275 HD2 TYR 38 HD2 TYR 38 -8.461 8.199 8.199 276 HE1 TYR 38 HE1 TYR 38 -12.074 5.146 5.146 277 HE2 TYR 38 HE2 TYR 38 -9.819 8.794 8.794 278 HH TYR 38 HH TYR 38 -12.495 6.798 6.798 279 H GLY 39 H GLY 39 -6.047 3.425 3.425 280 1HA GLY 39 1HA GLY 39 -5.483 3.871 3.871 281 2HA GLY 39 2HA GLY 39 -5.286 5.579 5.579 282 H VAL 40 H VAL 40 -4.061 2.726 2.726 283 HA VAL 40 HA VAL 40 -1.341 3.695 3.695 284 HB VAL 40 HB VAL 40 -2.457 0.853 0.853 285 1HG1 VAL 40 1HG2 VAL 40 0.261 1.956 1.956 286 2HG1 VAL 40 3HG2 VAL 40 -0.365 0.328 0.328 287 3HG1 VAL 40 2HG2 VAL 40 -0.016 0.799 0.799 288 1HG2 VAL 40 2HG1 VAL 40 -3.298 2.469 2.469 289 2HG2 VAL 40 3HG1 VAL 40 -2.298 1.179 1.179 290 3HG2 VAL 40 1HG1 VAL 40 -1.628 2.827 2.827 291 H VAL 41 H VAL 41 -3.136 1.457 1.457 292 HA VAL 41 HA VAL 41 -1.013 0.283 0.283 293 HB VAL 41 HB VAL 41 -3.802 0.852 0.852 294 1HG1 VAL 41 3HG1 VAL 41 -2.219 -0.092 -0.092 295 2HG1 VAL 41 1HG1 VAL 41 -1.840 -1.422 -1.422 296 3HG1 VAL 41 2HG1 VAL 41 -3.471 -1.263 -1.263 297 1HG2 VAL 41 3HG2 VAL 41 -2.819 -1.358 -1.358 298 2HG2 VAL 41 1HG2 VAL 41 -4.125 -0.195 -0.195 299 3HG2 VAL 41 2HG2 VAL 41 -4.334 -1.436 -1.436 300 H GLY 42 H GLY 42 0.543 1.159 1.159 301 1HA GLY 42 1HA GLY 42 1.444 2.250 2.250 302 2HA GLY 42 2HA GLY 42 0.011 3.268 3.268 303 H ARG 43 HN ARG 43 0.421 3.650 3.650 304 HA ARG 43 HA ARG 43 1.682 6.190 6.190 305 1HB ARG 43 2HB ARG 43 -0.116 5.770 5.770 306 2HB ARG 43 1HB ARG 43 1.020 4.865 4.865 307 1HG ARG 43 1HG ARG 43 0.871 7.056 7.056 308 2HG ARG 43 2HG ARG 43 2.462 6.946 6.946 309 1HD ARG 43 1HD ARG 43 1.554 8.183 8.183 310 2HD ARG 43 2HD ARG 43 -0.036 8.242 8.242 311 HE ARG 43 HE ARG 43 1.989 9.355 9.355 312 1HH1 ARG 43 2HH2 ARG 43 0.326 10.062 10.062 313 2HH1 ARG 43 1HH2 ARG 43 0.566 11.785 11.785 314 1HH2 ARG 43 1HH1 ARG 43 2.241 11.568 11.568 315 2HH2 ARG 43 2HH1 ARG 43 1.708 12.671 12.671 316 H THR 44 H THR 44 3.735 6.923 6.923 317 HA THR 44 HA THR 44 5.835 5.108 5.108 318 HB THR 44 HB THR 44 5.966 8.019 8.019 319 HG1 THR 44 HG1 THR 44 5.570 6.830 6.830 320 1HG2 THR 44 1HG2 THR 44 7.863 6.231 6.231 321 2HG2 THR 44 2HG2 THR 44 8.030 7.991 7.991 322 3HG2 THR 44 3HG2 THR 44 8.157 6.933 6.933 323 H ALA 45 H ALA 45 5.189 3.737 3.737 324 HA ALA 45 HA ALA 45 5.761 2.898 2.898 325 1HB ALA 45 3HB ALA 45 8.126 3.479 3.479 326 2HB ALA 45 1HB ALA 45 7.986 4.919 4.919 327 3HB ALA 45 2HB ALA 45 7.857 3.302 3.302 328 H GLY 46 H GLY 46 6.910 4.666 4.666 329 1HA GLY 46 1HA GLY 46 4.375 5.600 5.600 330 2HA GLY 46 2HA GLY 46 5.969 5.690 5.690 331 H THR 47 H THR 47 4.081 7.086 7.086 332 HA THR 47 HA THR 47 4.958 9.835 9.835 333 HB THR 47 HB THR 47 4.972 10.376 10.376 334 HG1 THR 47 HG1 THR 47 5.241 7.608 7.608 335 1HG2 THR 47 2HG2 THR 47 7.089 10.019 10.019 336 2HG2 THR 47 3HG2 THR 47 7.014 8.281 8.281 337 3HG2 THR 47 1HG2 THR 47 7.185 9.438 9.438 338 H TYR 48 H TYR 48 2.360 8.009 8.009 339 HA TYR 48 HA TYR 48 0.387 9.327 9.327 340 1HB TYR 48 2HB TYR 48 0.188 7.075 7.075 341 2HB TYR 48 1HB TYR 48 -0.042 7.896 7.896 342 HD1 TYR 48 HD2 TYR 48 -2.000 9.481 9.481 343 HD2 TYR 48 HD1 TYR 48 -1.654 6.755 6.755 344 HE1 TYR 48 HE2 TYR 48 -4.434 9.606 9.606 345 HE2 TYR 48 HE1 TYR 48 -4.076 6.743 6.743 346 HH TYR 48 HH TYR 48 -6.102 7.604 7.604 347 HA PRO 49 HA PRO 49 0.616 13.261 13.261 348 1HB PRO 49 2HB PRO 49 -2.404 13.236 13.236 349 2HB PRO 49 1HB PRO 49 -1.282 14.599 14.599 350 1HG PRO 49 1HG PRO 49 -2.194 13.155 13.155 351 2HG PRO 49 2HG PRO 49 -0.449 13.542 13.542 352 1HD PRO 49 1HD PRO 49 -1.826 10.948 10.948 353 2HD PRO 49 2HD PRO 49 -0.302 11.235 11.235 354 H GLU 50 HN GLU 50 0.167 14.442 14.442 355 HA GLU 50 HA GLU 50 0.059 14.662 14.662 356 1HB GLU 50 1HB GLU 50 -2.715 13.475 13.475 357 2HB GLU 50 2HB GLU 50 -2.182 14.666 14.666 358 1HG GLU 50 2HG GLU 50 -2.533 15.057 15.057 359 2HG GLU 50 1HG GLU 50 -3.427 15.834 15.834 360 H PHE 51 H PHE 51 1.734 12.825 12.825 361 HA PHE 51 HA PHE 51 1.001 11.365 11.365 362 1HB PHE 51 2HB PHE 51 0.127 9.847 9.847 363 2HB PHE 51 1HB PHE 51 1.769 9.717 9.717 364 HD1 PHE 51 HD2 PHE 51 -0.473 9.031 9.031 365 HD2 PHE 51 HD1 PHE 51 3.506 8.502 8.502 366 HE1 PHE 51 HE2 PHE 51 0.090 7.565 7.565 367 HE2 PHE 51 HE1 PHE 51 4.060 7.029 7.029 368 HZ PHE 51 HZ PHE 51 2.331 6.511 6.511 369 H LYS 52 HN LYS 52 2.708 11.473 11.473 370 HA LYS 52 HA LYS 52 5.304 12.369 12.369 371 1HB LYS 52 2HB LYS 52 4.315 13.150 13.150 372 2HB LYS 52 1HB LYS 52 4.424 11.509 11.509 373 1HG LYS 52 1HG LYS 52 6.900 11.572 11.572 374 2HG LYS 52 2HG LYS 52 6.770 13.220 13.220 375 1HD LYS 52 2HD LYS 52 5.750 13.966 13.966 376 2HD LYS 52 1HD LYS 52 5.938 12.328 12.328 377 1HE LYS 52 2HE LYS 52 8.209 14.155 14.155 378 2HE LYS 52 1HE LYS 52 7.756 13.845 13.845 379 1HZ LYS 52 1HZ LYS 52 8.281 11.534 11.534 380 2HZ LYS 52 2HZ LYS 52 8.744 11.839 11.839 381 3HZ LYS 52 3HZ LYS 52 9.585 12.497 12.497 382 H TYR 53 H TYR 53 5.957 10.674 10.674 383 HA TYR 53 HA TYR 53 6.263 7.940 7.940 384 1HB TYR 53 2HB TYR 53 7.619 9.419 9.419 385 2HB TYR 53 1HB TYR 53 7.554 7.687 7.687 386 HD1 TYR 53 HD1 TYR 53 5.533 6.343 6.343 387 HD2 TYR 53 HD2 TYR 53 5.652 10.538 10.538 388 HE1 TYR 53 HE1 TYR 53 3.430 6.101 6.101 389 HE2 TYR 53 HE2 TYR 53 3.487 10.310 10.310 390 HH TYR 53 HH TYR 53 1.706 8.925 8.925 391 H LYS 54 HN LYS 54 8.654 7.165 7.165 392 HA LYS 54 HA LYS 54 10.664 8.326 8.326 393 1HB LYS 54 1HB LYS 54 10.298 5.428 5.428 394 2HB LYS 54 2HB LYS 54 11.580 6.047 6.047 395 1HG LYS 54 1HG LYS 54 9.924 6.674 6.674 396 2HG LYS 54 2HG LYS 54 8.611 6.131 6.131 397 1HD LYS 54 1HD LYS 54 9.010 4.399 4.399 398 2HD LYS 54 2HD LYS 54 9.535 3.830 3.830 399 1HE LYS 54 1HE LYS 54 11.885 4.204 4.204 400 2HE LYS 54 2HE LYS 54 11.411 4.899 4.899 401 1HZ LYS 54 3HZ LYS 54 10.906 2.145 2.145 402 2HZ LYS 54 1HZ LYS 54 12.061 2.615 2.615 403 3HZ LYS 54 2HZ LYS 54 10.466 2.775 2.775 404 H ASP 55 HN ASP 55 12.880 7.948 7.948 405 HA ASP 55 HA ASP 55 13.253 8.871 8.871 406 1HB ASP 55 1HB ASP 55 15.251 7.229 7.229 407 2HB ASP 55 2HB ASP 55 15.608 8.429 8.429 408 H SER 56 H SER 56 12.891 5.496 5.496 409 HA SER 56 HA SER 56 14.433 4.191 4.191 410 1HB SER 56 2HB SER 56 12.996 2.280 2.280 411 2HB SER 56 1HB SER 56 14.116 3.153 3.153 412 HG SER 56 HG SER 56 11.788 2.874 2.874 413 H ILE 57 H ILE 57 11.020 4.092 4.092 414 HA ILE 57 HA ILE 57 10.079 3.048 3.048 415 HB ILE 57 HB ILE 57 9.028 3.329 3.329 416 1HG1 ILE 57 1HG1 ILE 57 6.631 3.457 3.457 417 2HG1 ILE 57 2HG1 ILE 57 7.327 3.708 3.708 418 1HG2 ILE 57 1HG2 ILE 57 9.188 5.737 5.737 419 2HG2 ILE 57 3HG2 ILE 57 7.971 5.932 5.932 420 3HG2 ILE 57 2HG2 ILE 57 7.547 5.157 5.157 421 1HD1 ILE 57 1HD1 ILE 57 7.961 1.314 1.314 422 2HD1 ILE 57 2HD1 ILE 57 6.663 1.334 1.334 423 3HD1 ILE 57 3HD1 ILE 57 8.338 1.504 1.504 424 H VAL 58 H VAL 58 10.616 6.512 6.512 425 HA VAL 58 HA VAL 58 9.532 7.534 7.534 426 HB VAL 58 HB VAL 58 11.512 8.541 8.541 427 1HG1 VAL 58 1HG1 VAL 58 10.354 10.009 10.009 428 2HG1 VAL 58 2HG1 VAL 58 11.156 10.782 10.782 429 3HG1 VAL 58 3HG1 VAL 58 12.080 9.698 9.698 430 1HG2 VAL 58 3HG2 VAL 58 9.081 8.243 8.243 431 2HG2 VAL 58 2HG2 VAL 58 9.629 9.926 9.926 432 3HG2 VAL 58 1HG2 VAL 58 8.644 9.366 9.366 433 H ALA 59 H ALA 59 12.928 6.719 6.719 434 HA ALA 59 HA ALA 59 14.169 7.337 7.337 435 1HB ALA 59 2HB ALA 59 14.915 5.214 5.214 436 2HB ALA 59 1HB ALA 59 15.965 5.817 5.817 437 3HB ALA 59 3HB ALA 59 15.433 6.915 6.915 438 H LEU 60 H LEU 60 12.465 4.352 4.352 439 HA LEU 60 HA LEU 60 13.158 2.747 2.747 440 1HB LEU 60 1HB LEU 60 11.396 2.573 2.573 441 2HB LEU 60 2HB LEU 60 10.313 2.538 2.538 442 HG LEU 60 HG LEU 60 12.422 0.561 0.561 443 1HD1 LEU 60 3HD1 LEU 60 10.000 0.407 0.407 444 2HD1 LEU 60 2HD1 LEU 60 9.573 0.274 0.274 445 3HD1 LEU 60 1HD1 LEU 60 10.545 -0.996 -0.996 446 1HD2 LEU 60 2HD2 LEU 60 11.371 0.813 0.813 447 2HD2 LEU 60 3HD2 LEU 60 13.070 0.686 0.686 448 3HD2 LEU 60 1HD2 LEU 60 12.004 -0.705 -0.705 449 H GLY 61 H GLY 61 10.461 5.104 5.104 450 1HA GLY 61 1HA GLY 61 9.329 4.901 4.901 451 2HA GLY 61 2HA GLY 61 9.271 6.309 6.309 452 H ALA 62 H ALA 62 11.793 7.139 7.139 453 HA ALA 62 HA ALA 62 12.350 8.587 8.587 454 1HB ALA 62 2HB ALA 62 13.199 9.130 9.130 455 2HB ALA 62 1HB ALA 62 14.386 7.813 7.813 456 3HB ALA 62 3HB ALA 62 14.447 9.201 9.201 457 H SER 63 H SER 63 13.514 5.363 5.363 458 HA SER 63 HA SER 63 15.377 5.115 5.115 459 1HB SER 63 1HB SER 63 14.113 2.892 2.892 460 2HB SER 63 2HB SER 63 15.609 2.833 2.833 461 HG SER 63 HG SER 63 15.124 4.504 4.504 462 H GLY 64 H GLY 64 12.211 5.600 5.600 463 1HA GLY 64 1HA GLY 64 11.010 5.350 5.350 464 2HA GLY 64 2HA GLY 64 12.213 4.226 4.226 465 H PHE 65 H PHE 65 10.701 3.772 3.772 466 HA PHE 65 HA PHE 65 9.558 1.198 1.198 467 1HB PHE 65 2HB PHE 65 10.848 1.341 1.341 468 2HB PHE 65 1HB PHE 65 9.701 2.504 2.504 469 HD1 PHE 65 HD2 PHE 65 7.305 1.807 1.807 470 HD2 PHE 65 HD1 PHE 65 10.368 -1.041 -1.041 471 HE1 PHE 65 HE2 PHE 65 6.364 0.185 0.185 472 HE2 PHE 65 HE1 PHE 65 9.274 -2.739 -2.739 473 HZ PHE 65 HZ PHE 65 7.364 -2.079 -2.079 474 H ALA 66 H ALA 66 7.473 1.034 1.034 475 HA ALA 66 HA ALA 66 5.448 3.043 3.043 476 1HB ALA 66 1HB ALA 66 5.555 1.426 1.426 477 2HB ALA 66 2HB ALA 66 4.239 2.506 2.506 478 3HB ALA 66 3HB ALA 66 5.843 3.175 3.175 479 H TRP 67 H TRP 67 3.813 2.136 2.136 480 HA TRP 67 HA TRP 67 4.058 -0.555 -0.555 481 1HB TRP 67 2HB TRP 67 1.957 1.599 1.599 482 2HB TRP 67 1HB TRP 67 1.630 -0.036 -0.036 483 HD1 TRP 67 HD1 TRP 67 2.508 3.031 3.031 484 HE1 TRP 67 HE1 TRP 67 3.683 2.699 2.699 485 HE3 TRP 67 HE3 TRP 67 3.734 -1.920 -1.920 486 HZ2 TRP 67 HZ2 TRP 67 5.308 0.686 0.686 487 HZ3 TRP 67 HZ3 TRP 67 5.142 -2.995 -2.995 488 HH2 TRP 67 HH2 TRP 67 6.027 -1.666 -1.666 489 H THR 68 H THR 68 4.012 -2.051 -2.051 490 HA THR 68 HA THR 68 1.608 -2.206 -2.206 491 HB THR 68 HB THR 68 2.571 -4.244 -4.244 492 HG1 THR 68 HG1 THR 68 4.814 -4.062 -4.062 493 1HG2 THR 68 2HG2 THR 68 3.514 -2.137 -2.137 494 2HG2 THR 68 3HG2 THR 68 4.808 -2.197 -2.197 495 3HG2 THR 68 1HG2 THR 68 4.692 -3.465 -3.465 496 H GLU 69 HN GLU 69 0.266 -4.345 -4.345 497 HA GLU 69 HA GLU 69 -0.786 -4.836 -4.836 498 1HB GLU 69 2HB GLU 69 -0.554 -6.537 -6.537 499 2HB GLU 69 1HB GLU 69 -1.702 -6.824 -6.824 500 1HG GLU 69 2HG GLU 69 -1.671 -4.133 -4.133 501 2HG GLU 69 1HG GLU 69 -2.491 -5.538 -5.538 502 H GLU 70 HN GLU 70 1.877 -6.369 -6.369 503 HA GLU 70 HA GLU 70 2.280 -8.619 -8.619 504 1HB GLU 70 2HB GLU 70 4.225 -7.226 -7.226 505 2HB GLU 70 1HB GLU 70 4.402 -8.839 -8.839 506 1HG GLU 70 1HG GLU 70 2.272 -9.531 -9.531 507 2HG GLU 70 2HG GLU 70 2.209 -7.955 -7.955 508 H ASP 71 HN ASP 71 3.846 -5.357 -5.357 509 HA ASP 71 HA ASP 71 5.695 -5.775 -5.775 510 1HB ASP 71 1HB ASP 71 4.392 -3.251 -3.251 511 2HB ASP 71 2HB ASP 71 5.618 -3.229 -3.229 512 H ILE 72 H ILE 72 2.428 -4.280 -4.280 513 HA ILE 72 HA ILE 72 2.345 -3.716 -3.716 514 HB ILE 72 HB ILE 72 0.071 -4.507 -4.507 515 1HG1 ILE 72 2HG1 ILE 72 0.819 -1.713 -1.713 516 2HG1 ILE 72 1HG1 ILE 72 1.452 -2.387 -2.387 517 1HG2 ILE 72 3HG2 ILE 72 0.012 -3.210 -3.210 518 2HG2 ILE 72 1HG2 ILE 72 -1.391 -3.381 -3.381 519 3HG2 ILE 72 2HG2 ILE 72 -0.623 -4.815 -4.815 520 1HD1 ILE 72 2HD1 ILE 72 -0.888 -2.793 -2.793 521 2HD1 ILE 72 3HD1 ILE 72 -1.482 -1.887 -1.887 522 3HD1 ILE 72 1HD1 ILE 72 -0.460 -1.093 -1.093 523 H ALA 73 H ALA 73 1.132 -6.621 -6.621 524 HA ALA 73 HA ALA 73 0.285 -8.068 -8.068 525 1HB ALA 73 3HB ALA 73 -0.185 -8.716 -8.716 526 2HB ALA 73 2HB ALA 73 1.524 -9.131 -9.131 527 3HB ALA 73 1HB ALA 73 0.544 -10.069 -10.069 528 H THR 74 H THR 74 3.599 -8.077 -8.077 529 HA THR 74 HA THR 74 4.568 -10.017 -10.017 530 HB THR 74 HB THR 74 6.275 -8.040 -8.040 531 HG1 THR 74 HG1 THR 74 4.889 -8.999 -8.999 532 1HG2 THR 74 2HG2 THR 74 6.667 -10.928 -10.928 533 2HG2 THR 74 1HG2 THR 74 7.835 -10.013 -10.013 534 3HG2 THR 74 3HG2 THR 74 7.450 -9.496 -9.496 535 H TYR 75 H TYR 75 4.723 -6.417 -6.417 536 HA TYR 75 HA TYR 75 6.314 -6.052 -6.052 537 1HB TYR 75 2HB TYR 75 5.832 -4.231 -4.231 538 2HB TYR 75 1HB TYR 75 4.091 -4.434 -4.434 539 HD1 TYR 75 HD1 TYR 75 7.157 -3.478 -3.478 540 HD2 TYR 75 HD2 TYR 75 2.859 -3.282 -3.282 541 HE1 TYR 75 HE1 TYR 75 7.098 -1.751 -1.751 542 HE2 TYR 75 HE2 TYR 75 2.814 -1.623 -1.623 543 HH TYR 75 HH TYR 75 4.022 -0.588 -0.588 544 H VAL 76 H VAL 76 2.729 -6.503 -6.503 545 HA VAL 76 HA VAL 76 2.229 -6.273 -6.273 546 HB VAL 76 HB VAL 76 0.819 -7.695 -7.695 547 1HG1 VAL 76 2HG2 VAL 76 -0.136 -7.386 -7.386 548 2HG1 VAL 76 1HG2 VAL 76 -1.184 -7.789 -7.789 549 3HG1 VAL 76 3HG2 VAL 76 0.098 -8.907 -8.907 550 1HG2 VAL 76 2HG1 VAL 76 0.908 -5.166 -5.166 551 2HG2 VAL 76 1HG1 VAL 76 -0.730 -5.816 -5.816 552 3HG2 VAL 76 3HG1 VAL 76 0.104 -5.189 -5.189 553 H LYS 77 HN LYS 77 3.714 -8.911 -8.911 554 HA LYS 77 HA LYS 77 3.310 -10.853 -10.853 555 1HB LYS 77 2HB LYS 77 4.667 -11.077 -11.077 556 2HB LYS 77 1HB LYS 77 4.452 -12.396 -12.396 557 1HG LYS 77 1HG LYS 77 2.055 -12.310 -12.310 558 2HG LYS 77 2HG LYS 77 2.097 -10.799 -10.799 559 1HD LYS 77 2HD LYS 77 3.287 -11.965 -11.965 560 2HD LYS 77 1HD LYS 77 3.139 -13.494 -13.494 561 1HE LYS 77 1HE LYS 77 0.655 -13.215 -13.215 562 2HE LYS 77 2HE LYS 77 0.821 -11.698 -11.698 563 1HZ LYS 77 3HZ LYS 77 1.634 -14.351 -14.351 564 2HZ LYS 77 2HZ LYS 77 0.281 -13.521 -13.521 565 3HZ LYS 77 1HZ LYS 77 1.775 -12.939 -12.939 566 H ASP 78 HN ASP 78 5.842 -8.797 -8.797 567 HA ASP 78 HA ASP 78 7.718 -9.647 -9.647 568 1HB ASP 78 2HB ASP 78 8.529 -9.217 -9.217 569 2HB ASP 78 1HB ASP 78 9.502 -9.858 -9.858 570 HA PRO 79 HA PRO 79 7.519 -4.982 -4.982 571 1HB PRO 79 2HB PRO 79 7.509 -5.244 -5.244 572 2HB PRO 79 1HB PRO 79 6.621 -4.072 -4.072 573 1HG PRO 79 2HG PRO 79 5.388 -6.163 -6.163 574 2HG PRO 79 1HG PRO 79 4.970 -5.668 -5.668 575 1HD PRO 79 2HD PRO 79 6.730 -7.981 -7.981 576 2HD PRO 79 1HD PRO 79 5.510 -7.879 -7.879 577 H GLY 80 H GLY 80 9.420 -3.784 -3.784 578 1HA GLY 80 1HA GLY 80 11.547 -3.127 -3.127 579 2HA GLY 80 2HA GLY 80 11.569 -4.460 -4.460 580 H ALA 81 H ALA 81 11.410 -6.706 -6.706 581 HA ALA 81 HA ALA 81 13.862 -7.155 -7.155 582 1HB ALA 81 3HB ALA 81 11.307 -8.784 -8.784 583 2HB ALA 81 2HB ALA 81 12.892 -9.371 -9.371 584 3HB ALA 81 1HB ALA 81 12.647 -8.926 -8.926 585 H PHE 82 H PHE 82 10.553 -6.743 -6.743 586 HA PHE 82 HA PHE 82 11.316 -7.063 -7.063 587 1HB PHE 82 1HB PHE 82 8.978 -6.823 -6.823 588 2HB PHE 82 2HB PHE 82 9.180 -5.093 -5.093 589 HD1 PHE 82 HD2 PHE 82 9.762 -8.190 -8.190 590 HD2 PHE 82 HD1 PHE 82 8.128 -4.194 -4.194 591 HE1 PHE 82 HE2 PHE 82 9.186 -8.312 -8.312 592 HE2 PHE 82 HE1 PHE 82 7.406 -4.407 -4.407 593 HZ PHE 82 HZ PHE 82 7.953 -6.452 -6.452 594 H LEU 83 H LEU 83 11.501 -4.165 -4.165 595 HA LEU 83 HA LEU 83 12.266 -2.382 -2.382 596 1HB LEU 83 1HB LEU 83 12.804 -2.076 -2.076 597 2HB LEU 83 2HB LEU 83 13.119 -0.923 -0.923 598 HG LEU 83 HG LEU 83 10.492 -1.318 -1.318 599 1HD1 LEU 83 2HD2 LEU 83 10.198 -2.809 -2.809 600 2HD1 LEU 83 3HD2 LEU 83 10.791 -1.500 -1.500 601 3HD1 LEU 83 1HD2 LEU 83 9.284 -1.295 -1.295 602 1HD2 LEU 83 1HD1 LEU 83 11.798 0.540 0.540 603 2HD2 LEU 83 2HD1 LEU 83 11.646 0.874 0.874 604 3HD2 LEU 83 3HD1 LEU 83 10.204 0.813 0.813 605 H LYS 84 HN LYS 84 14.065 -3.900 -3.900 606 HA LYS 84 HA LYS 84 16.678 -3.262 -3.262 607 1HB LYS 84 2HB LYS 84 15.498 -5.863 -5.863 608 2HB LYS 84 1HB LYS 84 17.239 -5.551 -5.551 609 1HG LYS 84 2HG LYS 84 17.067 -3.653 -3.653 610 2HG LYS 84 1HG LYS 84 15.288 -3.681 -3.681 611 1HD LYS 84 2HD LYS 84 15.128 -5.599 -5.599 612 2HD LYS 84 1HD LYS 84 16.824 -6.062 -6.062 613 1HE LYS 84 1HE LYS 84 16.485 -5.112 -5.112 614 2HE LYS 84 2HE LYS 84 17.633 -4.181 -4.181 615 1HZ LYS 84 3HZ LYS 84 15.812 -2.669 -2.669 616 2HZ LYS 84 1HZ LYS 84 14.840 -3.469 -3.469 617 3HZ LYS 84 2HZ LYS 84 16.212 -2.707 -2.707 618 H GLU 85 HN GLU 85 14.901 -6.076 -6.076 619 HA GLU 85 HA GLU 85 16.668 -7.333 -7.333 620 1HB GLU 85 1HB GLU 85 14.363 -8.007 -8.007 621 2HB GLU 85 2HB GLU 85 13.783 -6.511 -6.511 622 1HG GLU 85 2HG GLU 85 14.708 -7.136 -7.136 623 2HG GLU 85 1HG GLU 85 15.428 -8.579 -8.579 624 H LYS 86 HN LYS 86 14.915 -4.368 -4.368 625 HA LYS 86 HA LYS 86 16.364 -4.176 -4.176 626 1HB LYS 86 2HB LYS 86 14.116 -2.490 -2.490 627 2HB LYS 86 1HB LYS 86 14.776 -2.384 -2.384 628 1HG LYS 86 2HG LYS 86 14.098 -4.763 -4.763 629 2HG LYS 86 1HG LYS 86 13.366 -4.798 -4.798 630 1HD LYS 86 1HD LYS 86 11.818 -2.999 -2.999 631 2HD LYS 86 2HD LYS 86 12.584 -2.828 -2.828 632 1HE LYS 86 1HE LYS 86 10.497 -4.122 -4.122 633 2HE LYS 86 2HE LYS 86 11.893 -5.118 -5.118 634 1HZ LYS 86 3HZ LYS 86 10.573 -5.134 -5.134 635 2HZ LYS 86 2HZ LYS 86 10.329 -6.234 -6.234 636 3HZ LYS 86 1HZ LYS 86 11.799 -6.127 -6.127 637 H LEU 87 H LEU 87 15.777 -2.159 -2.159 638 HA LEU 87 HA LEU 87 17.429 -0.036 -0.036 639 1HB LEU 87 1HB LEU 87 15.359 0.194 0.194 640 2HB LEU 87 2HB LEU 87 16.262 -0.472 -0.472 641 HG LEU 87 HG LEU 87 17.775 1.491 1.491 642 1HD1 LEU 87 2HD2 LEU 87 16.005 2.441 2.441 643 2HD1 LEU 87 1HD2 LEU 87 17.136 3.473 3.473 644 3HD1 LEU 87 3HD2 LEU 87 17.756 2.131 2.131 645 1HD2 LEU 87 1HD1 LEU 87 15.680 1.525 1.525 646 2HD2 LEU 87 2HD1 LEU 87 16.156 3.137 3.137 647 3HD2 LEU 87 3HD1 LEU 87 14.830 2.279 2.279 648 H ASP 88 HN ASP 88 18.181 -2.865 -2.865 649 HA ASP 88 HA ASP 88 19.855 -3.576 -3.576 650 1HB ASP 88 2HB ASP 88 20.612 -3.821 -3.821 651 2HB ASP 88 1HB ASP 88 21.226 -2.169 -2.169 652 H ASP 89 HN ASP 89 18.821 -1.539 -1.539 653 HA ASP 89 HA ASP 89 21.146 -0.183 -0.183 654 1HB ASP 89 2HB ASP 89 19.955 1.584 1.584 655 2HB ASP 89 1HB ASP 89 18.397 0.889 0.889 656 H LYS 90 HN LYS 90 21.242 -0.566 -0.566 657 HA LYS 90 HA LYS 90 19.859 -2.767 -2.767 658 1HB LYS 90 1HB LYS 90 22.047 -0.724 -0.724 659 2HB LYS 90 2HB LYS 90 21.270 -1.498 -1.498 660 1HG LYS 90 1HG LYS 90 23.328 -2.717 -2.717 661 2HG LYS 90 2HG LYS 90 21.881 -3.720 -3.720 662 1HD LYS 90 1HD LYS 90 23.190 -4.167 -4.167 663 2HD LYS 90 2HD LYS 90 21.739 -3.328 -3.328 664 1HE LYS 90 2HE LYS 90 23.182 -1.164 -1.164 665 2HE LYS 90 1HE LYS 90 24.569 -2.218 -2.218 666 1HZ LYS 90 2HZ LYS 90 23.976 -3.375 -3.375 667 2HZ LYS 90 1HZ LYS 90 22.743 -2.315 -2.315 668 3HZ LYS 90 3HZ LYS 90 24.293 -1.782 -1.782 669 H LYS 91 HN LYS 91 19.557 0.776 0.776 670 HA LYS 91 HA LYS 91 17.476 0.727 0.727 671 1HB LYS 91 2HB LYS 91 19.198 2.444 2.444 672 2HB LYS 91 1HB LYS 91 18.882 2.930 2.930 673 1HG LYS 91 1HG LYS 91 18.066 4.547 4.547 674 2HG LYS 91 2HG LYS 91 16.786 3.928 3.928 675 1HD LYS 91 1HD LYS 91 16.031 2.421 2.421 676 2HD LYS 91 2HD LYS 91 17.383 2.991 2.991 677 1HE LYS 91 1HE LYS 91 15.285 4.127 4.127 678 2HE LYS 91 2HE LYS 91 16.455 5.288 5.288 679 1HZ LYS 91 1HZ LYS 91 14.258 4.078 4.078 680 2HZ LYS 91 3HZ LYS 91 14.243 5.593 5.593 681 3HZ LYS 91 2HZ LYS 91 15.308 5.224 5.224 682 H ALA 92 H ALA 92 17.243 -0.466 -0.466 683 HA ALA 92 HA ALA 92 14.995 1.061 1.061 684 1HB ALA 92 1HB ALA 92 16.546 -0.129 -0.129 685 2HB ALA 92 2HB ALA 92 15.996 -1.672 -1.672 686 3HB ALA 92 3HB ALA 92 14.875 -0.634 -0.634 687 H LYS 93 HN LYS 93 14.030 0.928 0.928 688 HA LYS 93 HA LYS 93 12.362 -1.523 -1.523 689 1HB LYS 93 2HB LYS 93 13.058 0.823 0.823 690 2HB LYS 93 1HB LYS 93 12.055 -0.575 -0.575 691 1HG LYS 93 2HG LYS 93 13.973 -2.091 -2.091 692 2HG LYS 93 1HG LYS 93 14.983 -0.737 -0.737 693 1HD LYS 93 1HD LYS 93 15.478 -1.320 -1.320 694 2HD LYS 93 2HD LYS 93 14.829 0.316 0.316 695 1HE LYS 93 2HE LYS 93 13.936 -0.928 -0.928 696 2HE LYS 93 1HE LYS 93 12.648 -0.430 -0.430 697 1HZ LYS 93 2HZ LYS 93 13.864 -3.106 -3.106 698 2HZ LYS 93 1HZ LYS 93 12.397 -2.685 -2.685 699 3HZ LYS 93 3HZ LYS 93 12.639 -2.649 -2.649 700 H THR 94 H THR 94 10.131 -0.604 -0.604 701 HA THR 94 HA THR 94 9.084 1.779 1.779 702 HB THR 94 HB THR 94 8.339 0.187 0.187 703 HG1 THR 94 HG1 THR 94 6.129 0.071 0.071 704 1HG2 THR 94 3HG2 THR 94 7.708 -1.723 -1.723 705 2HG2 THR 94 2HG2 THR 94 7.273 -1.972 -1.972 706 3HG2 THR 94 1HG2 THR 94 8.976 -1.936 -1.936 707 H GLY 95 H GLY 95 7.345 2.577 2.577 708 1HA GLY 95 1HA GLY 95 7.486 1.994 1.994 709 2HA GLY 95 2HA GLY 95 6.230 2.934 2.934 710 H MET 96 H MET 96 5.837 0.442 0.442 711 HA MET 96 HA MET 96 3.599 -0.574 -0.574 712 1HB MET 96 2HB MET 96 4.103 -0.305 -0.305 713 2HB MET 96 1HB MET 96 5.106 -1.744 -1.744 714 1HG MET 96 1HG MET 96 3.331 -3.181 -3.181 715 2HG MET 96 2HG MET 96 2.318 -1.950 -1.950 716 1HE MET 96 2HE MET 96 3.080 -3.985 -3.985 717 2HE MET 96 3HE MET 96 1.457 -4.237 -4.237 718 3HE MET 96 1HE MET 96 1.632 -3.556 -3.556 719 H ALA 97 H ALA 97 4.591 -1.241 -1.241 720 HA ALA 97 HA ALA 97 5.943 -3.807 -3.807 721 1HB ALA 97 2HB ALA 97 6.158 -2.100 -2.100 722 2HB ALA 97 1HB ALA 97 4.425 -2.245 -2.245 723 3HB ALA 97 3HB ALA 97 5.516 -3.619 -3.619 724 H PHE 98 H PHE 98 4.107 -4.457 -4.457 725 HA PHE 98 HA PHE 98 2.389 -6.411 -6.411 726 1HB PHE 98 2HB PHE 98 0.867 -4.559 -4.559 727 2HB PHE 98 1HB PHE 98 1.292 -3.946 -3.946 728 HD1 PHE 98 HD2 PHE 98 -0.462 -6.774 -6.774 729 HD2 PHE 98 HD1 PHE 98 0.277 -4.750 -4.750 730 HE1 PHE 98 HE2 PHE 98 -2.099 -8.250 -8.250 731 HE2 PHE 98 HE1 PHE 98 -1.367 -6.219 -6.219 732 HZ PHE 98 HZ PHE 98 -2.562 -7.974 -7.974 733 H LYS 99 HN LYS 99 1.871 -8.050 -8.050 734 HA LYS 99 HA LYS 99 2.151 -7.678 -7.678 735 1HB LYS 99 1HB LYS 99 3.836 -9.446 -9.446 736 2HB LYS 99 2HB LYS 99 4.478 -8.117 -8.117 737 1HG LYS 99 1HG LYS 99 4.206 -9.432 -9.432 738 2HG LYS 99 2HG LYS 99 3.596 -10.788 -10.788 739 1HD LYS 99 2HD LYS 99 5.772 -10.767 -10.767 740 2HD LYS 99 1HD LYS 99 6.348 -9.484 -9.484 741 1HE LYS 99 1HE LYS 99 7.254 -11.584 -11.584 742 2HE LYS 99 2HE LYS 99 6.072 -11.027 -11.027 743 1HZ LYS 99 1HZ LYS 99 5.584 -13.029 -13.029 744 2HZ LYS 99 2HZ LYS 99 5.858 -13.357 -13.357 745 3HZ LYS 99 3HZ LYS 99 4.495 -12.550 -12.550 746 H LEU 100 H LEU 100 1.756 -9.815 -9.815 747 HA LEU 100 HA LEU 100 0.425 -11.892 -11.892 748 1HB LEU 100 2HB LEU 100 -1.367 -10.196 -10.196 749 2HB LEU 100 1HB LEU 100 -1.104 -10.230 -10.230 750 HG LEU 100 HG LEU 100 -1.815 -12.625 -12.625 751 1HD1 LEU 100 2HD2 LEU 100 -2.365 -12.190 -12.190 752 2HD1 LEU 100 3HD2 LEU 100 -2.989 -13.548 -13.548 753 3HD1 LEU 100 1HD2 LEU 100 -1.250 -13.380 -13.380 754 1HD2 LEU 100 2HD1 LEU 100 -3.413 -10.771 -10.771 755 2HD2 LEU 100 1HD1 LEU 100 -4.196 -12.182 -12.182 756 3HD2 LEU 100 3HD1 LEU 100 -3.804 -10.762 -10.762 757 H ALA 101 H ALA 101 1.089 -13.781 -13.781 758 HA ALA 101 HA ALA 101 2.415 -13.789 -13.789 759 1HB ALA 101 3HB ALA 101 3.315 -15.011 -15.011 760 2HB ALA 101 1HB ALA 101 1.861 -16.033 -16.033 761 3HB ALA 101 2HB ALA 101 2.956 -16.100 -16.100 762 H LYS 102 HN LYS 102 -0.087 -13.015 -13.015 763 HA LYS 102 HA LYS 102 -1.119 -14.410 -14.410 764 1HB LYS 102 1HB LYS 102 -3.217 -15.430 -15.430 765 2HB LYS 102 2HB LYS 102 -1.768 -16.305 -16.305 766 1HG LYS 102 1HG LYS 102 -1.842 -15.168 -15.168 767 2HG LYS 102 2HG LYS 102 -3.341 -14.387 -14.387 768 1HD LYS 102 2HD LYS 102 -3.756 -16.360 -16.360 769 2HD LYS 102 1HD LYS 102 -4.474 -16.532 -16.532 770 1HE LYS 102 2HE LYS 102 -3.353 -18.608 -18.608 771 2HE LYS 102 1HE LYS 102 -2.777 -18.107 -18.107 772 1HZ LYS 102 3HZ LYS 102 -1.420 -17.524 -17.524 773 2HZ LYS 102 1HZ LYS 102 -1.000 -18.713 -18.713 774 3HZ LYS 102 2HZ LYS 102 -0.870 -17.136 -17.136 775 H GLY 103 H GLY 103 -3.721 -13.587 -13.587 776 1HA GLY 103 1HA GLY 103 -5.228 -11.851 -11.851 777 2HA GLY 103 2HA GLY 103 -4.128 -11.136 -11.136 778 H GLY 104 H GLY 104 -1.860 -10.613 -10.613 779 1HA GLY 104 1HA GLY 104 -1.904 -8.281 -8.281 780 2HA GLY 104 2HA GLY 104 -0.704 -9.515 -9.515 781 H GLU 105 HN GLU 105 -2.041 -11.347 -11.347 782 HA GLU 105 HA GLU 105 -2.244 -10.275 -10.275 783 1HB GLU 105 2HB GLU 105 -3.147 -12.442 -12.442 784 2HB GLU 105 1HB GLU 105 -1.692 -12.562 -12.562 785 1HG GLU 105 2HG GLU 105 -4.531 -13.176 -13.176 786 2HG GLU 105 1HG GLU 105 -3.342 -14.326 -14.326 787 H ASP 106 HN ASP 106 -5.006 -11.383 -11.383 788 HA ASP 106 HA ASP 106 -7.003 -10.419 -10.419 789 1HB ASP 106 2HB ASP 106 -8.482 -10.668 -10.668 790 2HB ASP 106 1HB ASP 106 -7.798 -12.123 -12.123 791 H VAL 107 H VAL 107 -5.473 -9.062 -9.062 792 HA VAL 107 HA VAL 107 -7.065 -6.727 -6.727 793 HB VAL 107 HB VAL 107 -4.226 -7.341 -7.341 794 1HG1 VAL 107 1HG2 VAL 107 -5.943 -4.886 -4.886 795 2HG1 VAL 107 2HG2 VAL 107 -4.491 -5.377 -5.377 796 3HG1 VAL 107 3HG2 VAL 107 -4.352 -4.912 -4.912 797 1HG2 VAL 107 2HG1 VAL 107 -6.114 -8.603 -8.603 798 2HG2 VAL 107 3HG1 VAL 107 -5.265 -7.498 -7.498 799 3HG2 VAL 107 1HG1 VAL 107 -6.847 -7.049 -7.049 800 H ALA 108 H ALA 108 -4.042 -7.355 -7.355 801 HA ALA 108 HA ALA 108 -3.770 -4.741 -4.741 802 1HB ALA 108 2HB ALA 108 -2.054 -6.481 -6.481 803 2HB ALA 108 3HB ALA 108 -3.110 -7.390 -7.390 804 3HB ALA 108 1HB ALA 108 -2.508 -5.791 -5.791 805 H ALA 109 H ALA 109 -5.603 -7.524 -7.524 806 HA ALA 109 HA ALA 109 -6.684 -6.139 -6.139 807 1HB ALA 109 2HB ALA 109 -7.896 -8.420 -8.420 808 2HB ALA 109 1HB ALA 109 -8.448 -7.870 -7.870 809 3HB ALA 109 3HB ALA 109 -6.820 -8.545 -8.545 810 H TYR 110 H TYR 110 -7.944 -6.457 -6.457 811 HA TYR 110 HA TYR 110 -10.315 -4.953 -4.953 812 1HB TYR 110 1HB TYR 110 -10.155 -6.085 -6.085 813 2HB TYR 110 2HB TYR 110 -8.527 -5.541 -5.541 814 HD1 TYR 110 HD1 TYR 110 -12.055 -4.288 -4.288 815 HD2 TYR 110 HD2 TYR 110 -8.083 -3.639 -3.639 816 HE1 TYR 110 HE1 TYR 110 -12.929 -2.549 -2.549 817 HE2 TYR 110 HE2 TYR 110 -8.934 -1.789 -1.789 818 HH TYR 110 HH TYR 110 -10.802 -0.911 -0.911 819 H LEU 111 H LEU 111 -7.049 -3.771 -3.771 820 HA LEU 111 HA LEU 111 -7.711 -1.036 -1.036 821 1HB LEU 111 1HB LEU 111 -5.068 -2.400 -2.400 822 2HB LEU 111 2HB LEU 111 -5.238 -0.662 -0.662 823 HG LEU 111 HG LEU 111 -6.028 -2.750 -2.750 824 1HD1 LEU 111 1HD2 LEU 111 -3.514 -1.051 -1.051 825 2HD1 LEU 111 3HD2 LEU 111 -3.949 -2.097 -2.097 826 3HD1 LEU 111 2HD2 LEU 111 -3.626 -2.813 -2.813 827 1HD2 LEU 111 2HD1 LEU 111 -5.754 0.277 0.277 828 2HD2 LEU 111 1HD1 LEU 111 -7.237 -0.665 -0.665 829 3HD2 LEU 111 3HD1 LEU 111 -5.916 -0.774 -0.774 830 H ALA 112 H ALA 112 -6.601 -2.971 -2.971 831 HA ALA 112 HA ALA 112 -6.567 -0.745 -0.745 832 1HB ALA 112 1HB ALA 112 -5.610 -2.942 -2.942 833 2HB ALA 112 3HB ALA 112 -7.227 -3.665 -3.665 834 3HB ALA 112 2HB ALA 112 -6.796 -2.420 -2.420 835 H SER 113 H SER 113 -9.188 -3.170 -3.170 836 HA SER 113 HA SER 113 -11.096 -1.922 -1.922 837 1HB SER 113 2HB SER 113 -12.752 -3.309 -3.309 838 2HB SER 113 1HB SER 113 -11.279 -4.226 -4.226 839 HG SER 113 HG SER 113 -10.705 -3.475 -3.475 840 H VAL 114 H VAL 114 -10.287 -1.165 -1.165 841 HA VAL 114 HA VAL 114 -12.483 0.344 0.344 842 HB VAL 114 HB VAL 114 -9.562 0.158 0.158 843 1HG1 VAL 114 1HG2 VAL 114 -11.325 2.271 2.271 844 2HG1 VAL 114 2HG2 VAL 114 -9.760 1.714 1.714 845 3HG1 VAL 114 3HG2 VAL 114 -9.807 2.505 2.505 846 1HG2 VAL 114 3HG1 VAL 114 -11.353 -1.428 -1.428 847 2HG2 VAL 114 1HG1 VAL 114 -10.368 -0.608 -0.608 848 3HG2 VAL 114 2HG1 VAL 114 -12.019 -0.047 -0.047 849 H VAL 115 H VAL 115 -9.856 1.199 1.199 850 HA VAL 115 HA VAL 115 -10.273 4.059 4.059 851 HB VAL 115 HB VAL 115 -8.998 2.432 2.432 852 1HG1 VAL 115 3HG1 VAL 115 -8.792 5.392 5.392 853 2HG1 VAL 115 2HG1 VAL 115 -7.831 4.571 4.571 854 3HG1 VAL 115 1HG1 VAL 115 -9.575 4.742 4.742 855 1HG2 VAL 115 3HG2 VAL 115 -7.800 3.783 3.783 856 2HG2 VAL 115 2HG2 VAL 115 -7.834 2.038 2.038 857 3HG2 VAL 115 1HG2 VAL 115 -6.861 3.097 3.097 858 H LYS 116 HN LYS 116 -12.535 4.194 4.194 859 HA LYS 116 HA LYS 116 -13.774 4.318 4.318 860 1HB LYS 116 2HB LYS 116 -15.763 3.281 3.281 861 2HB LYS 116 1HB LYS 116 -14.452 2.218 2.218 862 1HG LYS 116 1HG LYS 116 -14.587 3.614 3.614 863 2HG LYS 116 2HG LYS 116 -16.121 4.188 4.188 864 1HD LYS 116 2HD LYS 116 -16.783 2.379 2.379 865 2HD LYS 116 1HD LYS 116 -16.700 1.645 1.645 866 1HE LYS 116 1HE LYS 116 -14.341 0.894 0.894 867 2HE LYS 116 2HE LYS 116 -14.554 1.567 1.567 868 1HZ LYS 116 3HZ LYS 116 -16.357 0.029 0.029 869 2HZ LYS 116 1HZ LYS 116 -16.157 -0.591 -0.591 870 3HZ LYS 116 2HZ LYS 116 -14.971 -0.775 -0.775 871 HHA HEC 117 HHA HEM 117 2.955 2.663 2.663 872 HHB HEC 117 HHB HEM 117 -0.874 -1.735 -1.735 873 HHC HEC 117 HHC HEM 117 -2.713 -3.530 -3.530 874 HHD HEC 117 HHD HEM 117 1.380 0.708 0.708 875 1HMA HEC 117 1HMA HEM 117 1.332 0.581 0.581 876 2HMA HEC 117 2HMA HEM 117 -0.102 -0.368 -0.368 877 3HMA HEC 117 3HMA HEM 117 1.506 -1.139 -1.139 878 1HAA HEC 117 1HAA HEM 117 4.027 1.559 1.559 879 2HAA HEC 117 2HAA HEM 117 3.262 1.263 1.263 880 1HBA HEC 117 1HBA HEM 117 2.689 3.721 3.721 881 2HBA HEC 117 2HBA HEM 117 3.902 3.622 3.622 882 1HMB HEC 117 1HMB HEM 117 -2.663 -4.153 -4.153 883 2HMB HEC 117 2HMB HEM 117 -4.141 -3.291 -3.291 884 3HMB HEC 117 3HMB HEM 117 -2.889 -2.421 -2.421 885 HAB HEC 117 HAB HEM 117 -3.856 -4.607 -4.607 886 1HBB HEC 117 1HBB HEM 117 -5.160 -5.885 -5.885 887 2HBB HEC 117 2HBB HEM 117 -5.255 -4.701 -4.701 888 3HBB HEC 117 3HBB HEM 117 -3.764 -5.665 -5.665 889 1HMC HEC 117 1HMC HEM 117 -2.440 -4.144 -4.144 890 2HMC HEC 117 2HMC HEM 117 -3.198 -2.774 -2.774 891 3HMC HEC 117 3HMC HEM 117 -1.789 -3.594 -3.594 892 HAC HEC 117 HAC HEM 117 -0.843 -1.824 -1.824 893 1HBC HEC 117 1HBC HEM 117 1.458 -0.727 -0.727 894 2HBC HEC 117 2HBC HEM 117 0.434 -0.356 -0.356 895 3HBC HEC 117 3HBC HEM 117 0.553 0.825 0.825 896 1HMD HEC 117 1HMD HEM 117 2.101 3.354 3.354 897 2HMD HEC 117 2HMD HEM 117 3.769 3.498 3.498 898 3HMD HEC 117 3HMD HEM 117 3.238 2.007 2.007 899 1HAD HEC 117 1HAD HEM 117 3.439 4.345 4.345 900 2HAD HEC 117 2HAD HEM 117 3.858 4.489 4.489 901 1HBD HEC 117 1HBD HEM 117 5.207 2.717 2.717 902 2HBD HEC 117 2HBD HEM 117 5.409 2.494 2.494 Start of MODEL 19 1 1H GLY 1 1H GLY 1 -6.150 -12.694 -12.694 2 2H GLY 1 2H GLY 1 -7.452 -11.912 -11.912 3 1HA GLY 1 1HA GLY 1 -7.168 -12.393 -12.393 4 2HA GLY 1 2HA GLY 1 -6.870 -10.820 -10.820 5 H ASP 2 HN ASP 2 -9.162 -12.400 -12.400 6 HA ASP 2 HA ASP 2 -11.543 -11.573 -11.573 7 1HB ASP 2 1HB ASP 2 -11.565 -13.785 -13.785 8 2HB ASP 2 2HB ASP 2 -11.310 -13.018 -13.018 9 H ALA 3 H ALA 3 -11.537 -9.429 -9.429 10 HA ALA 3 HA ALA 3 -10.880 -7.616 -7.616 11 1HB ALA 3 3HB ALA 3 -13.345 -7.576 -7.576 12 2HB ALA 3 1HB ALA 3 -12.642 -6.157 -6.157 13 3HB ALA 3 2HB ALA 3 -11.709 -7.025 -7.025 14 H ALA 4 H ALA 4 -13.752 -9.770 -9.770 15 HA ALA 4 HA ALA 4 -15.042 -8.266 -8.266 16 1HB ALA 4 3HB ALA 4 -16.254 -9.884 -9.884 17 2HB ALA 4 2HB ALA 4 -15.318 -11.214 -11.214 18 3HB ALA 4 1HB ALA 4 -16.410 -10.251 -10.251 19 H LYS 5 HN LYS 5 -12.749 -11.017 -11.017 20 HA LYS 5 HA LYS 5 -12.665 -11.452 -11.452 21 1HB LYS 5 1HB LYS 5 -10.707 -12.231 -12.231 22 2HB LYS 5 2HB LYS 5 -10.603 -12.727 -12.727 23 1HG LYS 5 1HG LYS 5 -12.816 -13.844 -13.844 24 2HG LYS 5 2HG LYS 5 -12.910 -13.371 -13.371 25 1HD LYS 5 1HD LYS 5 -10.742 -14.622 -14.622 26 2HD LYS 5 2HD LYS 5 -10.801 -15.176 -15.176 27 1HE LYS 5 1HE LYS 5 -12.998 -16.270 -16.270 28 2HE LYS 5 2HE LYS 5 -12.944 -15.695 -15.695 29 1HZ LYS 5 2HZ LYS 5 -10.963 -16.980 -16.980 30 2HZ LYS 5 1HZ LYS 5 -11.009 -17.521 -17.521 31 3HZ LYS 5 3HZ LYS 5 -12.204 -17.941 -17.941 32 H GLY 6 H GLY 6 -10.871 -9.561 -9.561 33 1HA GLY 6 1HA GLY 6 -8.835 -8.498 -8.498 34 2HA GLY 6 2HA GLY 6 -9.565 -7.685 -7.685 35 H GLU 7 HN GLU 7 -12.107 -7.162 -7.162 36 HA GLU 7 HA GLU 7 -12.001 -4.893 -4.893 37 1HB GLU 7 2HB GLU 7 -13.766 -5.451 -5.451 38 2HB GLU 7 1HB GLU 7 -14.430 -6.663 -6.663 39 1HG GLU 7 2HG GLU 7 -14.161 -3.705 -3.705 40 2HG GLU 7 1HG GLU 7 -15.601 -4.413 -4.413 41 H LYS 8 HN LYS 8 -13.236 -8.181 -8.181 42 HA LYS 8 HA LYS 8 -13.790 -7.619 -7.619 43 1HB LYS 8 1HB LYS 8 -12.996 -10.221 -10.221 44 2HB LYS 8 2HB LYS 8 -13.588 -10.094 -10.094 45 1HG LYS 8 1HG LYS 8 -15.716 -9.169 -9.169 46 2HG LYS 8 2HG LYS 8 -15.150 -9.049 -9.049 47 1HD LYS 8 2HD LYS 8 -16.599 -10.960 -10.960 48 2HD LYS 8 1HD LYS 8 -14.953 -11.500 -11.500 49 1HE LYS 8 2HE LYS 8 -14.605 -12.136 -12.136 50 2HE LYS 8 1HE LYS 8 -16.187 -11.460 -11.460 51 1HZ LYS 8 3HZ LYS 8 -15.727 -13.723 -13.723 52 2HZ LYS 8 2HZ LYS 8 -16.256 -13.819 -13.819 53 3HZ LYS 8 1HZ LYS 8 -17.199 -13.104 -13.104 54 H GLU 9 HN GLU 9 -10.822 -8.960 -8.960 55 HA GLU 9 HA GLU 9 -9.307 -9.251 -9.251 56 1HB GLU 9 1HB GLU 9 -8.802 -10.200 -10.200 57 2HB GLU 9 2HB GLU 9 -8.323 -8.580 -8.580 58 1HG GLU 9 2HG GLU 9 -6.342 -9.817 -9.817 59 2HG GLU 9 1HG GLU 9 -6.542 -8.618 -8.618 60 H PHE 10 H PHE 10 -9.920 -6.377 -6.377 61 HA PHE 10 HA PHE 10 -7.973 -4.698 -4.698 62 1HB PHE 10 1HB PHE 10 -9.755 -4.328 -4.328 63 2HB PHE 10 2HB PHE 10 -10.704 -3.593 -3.593 64 HD1 PHE 10 HD1 PHE 10 -7.583 -3.399 -3.399 65 HD2 PHE 10 HD2 PHE 10 -9.878 -1.527 -1.527 66 HE1 PHE 10 HE1 PHE 10 -6.059 -1.450 -1.450 67 HE2 PHE 10 HE2 PHE 10 -8.353 0.442 0.442 68 HZ PHE 10 HZ PHE 10 -6.452 0.486 0.486 69 H ASN 11 H ASN 11 -10.718 -6.037 -6.037 70 HA ASN 11 HA ASN 11 -11.159 -4.223 -4.223 71 1HB ASN 11 1HB ASN 11 -12.458 -6.292 -6.292 72 2HB ASN 11 2HB ASN 11 -11.021 -7.262 -7.262 73 1HD2 ASN 11 1HD2 ASN 11 -12.950 -5.256 -5.256 74 2HD2 ASN 11 2HD2 ASN 11 -13.087 -4.636 -4.636 75 H LYS 12 HN LYS 12 -8.310 -6.249 -6.249 76 HA LYS 12 HA LYS 12 -7.126 -5.802 -5.802 77 1HB LYS 12 1HB LYS 12 -5.809 -6.780 -6.780 78 2HB LYS 12 2HB LYS 12 -5.197 -6.908 -6.908 79 1HG LYS 12 2HG LYS 12 -7.596 -8.387 -8.387 80 2HG LYS 12 1HG LYS 12 -6.002 -9.023 -9.023 81 1HD LYS 12 1HD LYS 12 -7.122 -9.820 -9.820 82 2HD LYS 12 2HD LYS 12 -6.502 -8.316 -8.316 83 1HE LYS 12 1HE LYS 12 -8.728 -7.259 -7.259 84 2HE LYS 12 2HE LYS 12 -9.294 -8.676 -8.676 85 1HZ LYS 12 3HZ LYS 12 -8.523 -8.616 -8.616 86 2HZ LYS 12 2HZ LYS 12 -10.057 -8.625 -8.625 87 3HZ LYS 12 1HZ LYS 12 -9.078 -9.936 -9.936 88 H CYS 13 H CYS 13 -6.467 -4.752 -4.752 89 HA CYS 13 HA CYS 13 -4.413 -2.961 -2.961 90 1HB CYS 13 1HB CYS 13 -6.659 -2.511 -2.511 91 2HB CYS 13 2HB CYS 13 -5.000 -1.909 -1.909 92 H LYS 14 HN LYS 14 -7.903 -2.244 -2.244 93 HA LYS 14 HA LYS 14 -7.817 0.488 0.488 94 1HB LYS 14 2HB LYS 14 -10.016 0.374 0.374 95 2HB LYS 14 1HB LYS 14 -9.822 -0.967 -0.967 96 1HG LYS 14 1HG LYS 14 -10.806 -2.129 -2.129 97 2HG LYS 14 2HG LYS 14 -9.126 -2.268 -2.268 98 1HD LYS 14 1HD LYS 14 -9.541 -0.294 -0.294 99 2HD LYS 14 2HD LYS 14 -11.200 -0.235 -0.235 100 1HE LYS 14 1HE LYS 14 -11.041 -1.398 -1.398 101 2HE LYS 14 2HE LYS 14 -11.620 -2.498 -2.498 102 1HZ LYS 14 3HZ LYS 14 -8.821 -2.364 -2.364 103 2HZ LYS 14 2HZ LYS 14 -9.939 -3.456 -3.456 104 3HZ LYS 14 1HZ LYS 14 -9.473 -3.447 -3.447 105 H THR 15 H THR 15 -6.705 -1.865 -1.865 106 HA THR 15 HA THR 15 -7.056 -0.384 -0.384 107 HB THR 15 HB THR 15 -4.829 -2.354 -2.354 108 HG1 THR 15 HG1 THR 15 -6.659 -3.412 -3.412 109 1HG2 THR 15 3HG2 THR 15 -6.192 -1.596 -1.596 110 2HG2 THR 15 1HG2 THR 15 -5.023 -2.915 -2.915 111 3HG2 THR 15 2HG2 THR 15 -4.509 -1.237 -1.237 112 H CYS 16 H CYS 16 -4.825 -0.003 -0.003 113 HA CYS 16 HA CYS 16 -3.490 2.235 2.235 114 1HB CYS 16 1HB CYS 16 -2.325 0.322 0.322 115 2HB CYS 16 2HB CYS 16 -1.546 1.832 1.832 116 H HIS 17 HN HIS 17 -4.683 1.011 1.011 117 HA HIS 17 HA HIS 17 -4.250 3.672 3.672 118 1HB HIS 17 2HB HIS 17 -5.198 1.026 1.026 119 2HB HIS 17 1HB HIS 17 -4.830 2.449 2.449 120 HD1 HIS 17 HD1 HIS 17 -2.470 3.366 3.366 121 HD2 HIS 17 HD2 HIS 17 -2.696 -0.421 -0.421 122 HE1 HIS 17 HE1 HIS 17 -0.177 2.329 2.329 123 H SER 18 H SER 18 -5.953 4.024 4.024 124 HA SER 18 HA SER 18 -8.766 3.573 3.573 125 1HB SER 18 1HB SER 18 -7.449 6.327 6.327 126 2HB SER 18 2HB SER 18 -9.183 6.098 6.098 127 HG SER 18 HG SER 18 -7.733 5.222 5.222 128 H ILE 19 H ILE 19 -10.209 4.515 4.515 129 HA ILE 19 HA ILE 19 -8.976 4.828 4.828 130 HB ILE 19 HB ILE 19 -11.297 2.990 2.990 131 1HG1 ILE 19 1HG1 ILE 19 -9.181 1.867 1.867 132 2HG1 ILE 19 2HG1 ILE 19 -9.995 1.164 1.164 133 1HG2 ILE 19 2HG2 ILE 19 -11.576 4.162 4.162 134 2HG2 ILE 19 3HG2 ILE 19 -10.015 3.494 3.494 135 3HG2 ILE 19 1HG2 ILE 19 -11.378 2.413 2.413 136 1HD1 ILE 19 2HD1 ILE 19 -7.607 3.022 3.022 137 2HD1 ILE 19 1HD1 ILE 19 -7.558 1.254 1.254 138 3HD1 ILE 19 3HD1 ILE 19 -8.381 2.117 2.117 139 H ILE 20 H ILE 20 -9.711 6.733 6.733 140 HA ILE 20 HA ILE 20 -12.362 7.790 7.790 141 HB ILE 20 HB ILE 20 -10.275 9.000 9.000 142 1HG1 ILE 20 2HG1 ILE 20 -11.060 11.291 11.291 143 2HG1 ILE 20 1HG1 ILE 20 -12.279 10.518 10.518 144 1HG2 ILE 20 1HG2 ILE 20 -8.960 8.804 8.804 145 2HG2 ILE 20 3HG2 ILE 20 -10.033 10.068 10.068 146 3HG2 ILE 20 2HG2 ILE 20 -9.006 10.412 10.412 147 1HD1 ILE 20 2HD1 ILE 20 -11.965 9.883 9.883 148 2HD1 ILE 20 3HD1 ILE 20 -12.959 11.227 11.227 149 3HD1 ILE 20 1HD1 ILE 20 -13.365 9.573 9.573 150 H ALA 21 H ALA 21 -13.805 8.108 8.108 151 HA ALA 21 HA ALA 21 -13.019 7.401 7.401 152 1HB ALA 21 3HB ALA 21 -15.340 7.180 7.180 153 2HB ALA 21 1HB ALA 21 -15.460 8.953 8.953 154 3HB ALA 21 2HB ALA 21 -15.311 8.104 8.104 155 HA PRO 22 HA PRO 22 -11.495 11.311 11.311 156 1HB PRO 22 1HB PRO 22 -13.654 11.345 11.345 157 2HB PRO 22 2HB PRO 22 -11.892 11.561 11.561 158 1HG PRO 22 2HG PRO 22 -13.029 9.193 9.193 159 2HG PRO 22 1HG PRO 22 -11.517 9.196 9.196 160 1HD PRO 22 1HD PRO 22 -14.357 8.974 8.974 161 2HD PRO 22 2HD PRO 22 -12.984 7.904 7.904 162 H ASP 23 HN ASP 23 -15.027 11.035 11.035 163 HA ASP 23 HA ASP 23 -15.678 13.734 13.734 164 1HB ASP 23 1HB ASP 23 -17.302 11.284 11.284 165 2HB ASP 23 2HB ASP 23 -17.909 12.883 12.883 166 H GLY 24 H GLY 24 -13.883 11.955 11.955 167 1HA GLY 24 1HA GLY 24 -13.464 12.483 12.483 168 2HA GLY 24 2HA GLY 24 -14.815 13.610 13.610 169 H THR 25 H THR 25 -16.105 10.735 10.735 170 HA THR 25 HA THR 25 -17.488 10.162 10.162 171 HB THR 25 HB THR 25 -17.283 8.246 8.246 172 HG1 THR 25 HG1 THR 25 -18.538 10.787 10.787 173 1HG2 THR 25 1HG2 THR 25 -18.777 7.681 7.681 174 2HG2 THR 25 2HG2 THR 25 -19.624 9.233 9.233 175 3HG2 THR 25 3HG2 THR 25 -19.686 8.008 8.008 176 H GLU 26 HN GLU 26 -16.561 9.134 9.134 177 HA GLU 26 HA GLU 26 -14.096 7.657 7.657 178 1HB GLU 26 2HB GLU 26 -16.195 7.670 7.670 179 2HB GLU 26 1HB GLU 26 -14.527 7.075 7.075 180 1HG GLU 26 2HG GLU 26 -13.682 9.363 9.363 181 2HG GLU 26 1HG GLU 26 -15.343 9.979 9.979 182 H ILE 27 H ILE 27 -13.990 5.809 5.809 183 HA ILE 27 HA ILE 27 -16.270 3.923 3.923 184 HB ILE 27 HB ILE 27 -13.451 3.638 3.638 185 1HG1 ILE 27 2HG1 ILE 27 -14.425 5.509 5.509 186 2HG1 ILE 27 1HG1 ILE 27 -14.429 4.119 4.119 187 1HG2 ILE 27 2HG2 ILE 27 -15.971 2.017 2.017 188 2HG2 ILE 27 3HG2 ILE 27 -14.455 1.868 1.868 189 3HG2 ILE 27 1HG2 ILE 27 -14.496 1.474 1.474 190 1HD1 ILE 27 2HD1 ILE 27 -16.875 3.752 3.752 191 2HD1 ILE 27 3HD1 ILE 27 -16.823 5.265 5.265 192 3HD1 ILE 27 1HD1 ILE 27 -16.536 5.283 5.283 193 H VAL 28 H VAL 28 -12.947 4.209 4.209 194 HA VAL 28 HA VAL 28 -13.708 2.314 2.314 195 HB VAL 28 HB VAL 28 -10.995 2.314 2.314 196 1HG1 VAL 28 2HG1 VAL 28 -12.147 0.710 0.710 197 2HG1 VAL 28 3HG1 VAL 28 -10.578 0.443 0.443 198 3HG1 VAL 28 1HG1 VAL 28 -10.863 1.934 1.934 199 1HG2 VAL 28 3HG2 VAL 28 -13.256 0.260 0.260 200 2HG2 VAL 28 1HG2 VAL 28 -12.689 1.147 1.147 201 3HG2 VAL 28 2HG2 VAL 28 -11.625 -0.025 -0.025 202 H LYS 29 HN LYS 29 -14.154 3.851 3.851 203 HA LYS 29 HA LYS 29 -12.426 6.136 6.136 204 1HB LYS 29 2HB LYS 29 -14.066 6.478 6.478 205 2HB LYS 29 1HB LYS 29 -14.788 6.461 6.461 206 1HG LYS 29 2HG LYS 29 -14.899 3.748 3.748 207 2HG LYS 29 1HG LYS 29 -15.471 4.918 4.918 208 1HD LYS 29 1HD LYS 29 -17.392 4.231 4.231 209 2HD LYS 29 2HD LYS 29 -17.020 5.894 5.894 210 1HE LYS 29 2HE LYS 29 -17.595 4.727 4.727 211 2HE LYS 29 1HE LYS 29 -15.858 4.992 4.992 212 1HZ LYS 29 2HZ LYS 29 -15.634 2.688 2.688 213 2HZ LYS 29 3HZ LYS 29 -17.265 2.513 2.513 214 3HZ LYS 29 1HZ LYS 29 -16.365 2.791 2.791 215 H GLY 30 H GLY 30 -10.625 4.392 4.392 216 1HA GLY 30 1HA GLY 30 -10.556 2.755 2.755 217 2HA GLY 30 2HA GLY 30 -9.405 2.764 2.764 218 H ALA 31 H ALA 31 -7.738 2.970 2.970 219 HA ALA 31 HA ALA 31 -7.575 5.505 5.505 220 1HB ALA 31 3HB ALA 31 -6.782 3.350 3.350 221 2HB ALA 31 1HB ALA 31 -5.574 3.254 3.254 222 3HB ALA 31 2HB ALA 31 -5.496 4.568 4.568 223 H LYS 32 HN LYS 32 -5.237 6.529 6.529 224 HA LYS 32 HA LYS 32 -4.456 6.754 6.754 225 1HB LYS 32 2HB LYS 32 -4.770 9.090 9.090 226 2HB LYS 32 1HB LYS 32 -4.113 9.136 9.136 227 1HG LYS 32 1HG LYS 32 -6.215 9.781 9.781 228 2HG LYS 32 2HG LYS 32 -6.447 8.036 8.036 229 1HD LYS 32 2HD LYS 32 -7.379 8.050 8.050 230 2HD LYS 32 1HD LYS 32 -7.110 9.796 9.796 231 1HE LYS 32 2HE LYS 32 -9.429 9.414 9.414 232 2HE LYS 32 1HE LYS 32 -8.667 10.026 10.026 233 1HZ LYS 32 3HZ LYS 32 -8.559 7.712 7.712 234 2HZ LYS 32 1HZ LYS 32 -9.300 7.215 7.215 235 3HZ LYS 32 2HZ LYS 32 -10.103 8.184 8.184 236 H THR 33 H THR 33 -3.462 5.034 5.034 237 HA THR 33 HA THR 33 -1.032 6.156 6.156 238 HB THR 33 HB THR 33 -1.471 3.216 3.216 239 HG1 THR 33 HG1 THR 33 -2.911 3.184 3.184 240 1HG2 THR 33 2HG2 THR 33 0.544 4.028 4.028 241 2HG2 THR 33 3HG2 THR 33 -0.498 4.813 4.813 242 3HG2 THR 33 1HG2 THR 33 -0.496 3.044 3.044 243 H GLY 34 H GLY 34 -2.128 4.402 4.402 244 1HA GLY 34 1HA GLY 34 0.534 4.763 4.763 245 2HA GLY 34 2HA GLY 34 -0.615 3.469 3.469 246 HA PRO 35 HA PRO 35 -1.500 7.529 7.529 247 1HB PRO 35 2HB PRO 35 -0.883 6.585 6.585 248 2HB PRO 35 1HB PRO 35 0.320 7.310 7.310 249 1HG PRO 35 1HG PRO 35 -0.307 4.376 4.376 250 2HG PRO 35 2HG PRO 35 1.285 5.179 5.179 251 1HD PRO 35 2HD PRO 35 0.609 4.058 4.058 252 2HD PRO 35 1HD PRO 35 1.280 5.700 5.700 253 H ASN 36 H ASN 36 -3.038 7.628 7.628 254 HA ASN 36 HA ASN 36 -5.292 5.783 5.783 255 1HB ASN 36 2HB ASN 36 -5.675 8.243 8.243 256 2HB ASN 36 1HB ASN 36 -5.102 8.270 8.270 257 1HD2 ASN 36 2HD2 ASN 36 -8.934 7.475 7.475 258 2HD2 ASN 36 1HD2 ASN 36 -7.874 8.327 8.327 259 H LEU 37 H LEU 37 -5.459 4.055 4.055 260 HA LEU 37 HA LEU 37 -3.466 3.866 3.866 261 1HB LEU 37 2HB LEU 37 -5.310 1.761 1.761 262 2HB LEU 37 1HB LEU 37 -4.066 1.487 1.487 263 HG LEU 37 HG LEU 37 -3.609 2.401 2.401 264 1HD1 LEU 37 1HD1 LEU 37 -4.201 0.013 0.013 265 2HD1 LEU 37 2HD1 LEU 37 -2.913 -0.186 -0.186 266 3HD1 LEU 37 3HD1 LEU 37 -2.511 0.202 0.202 267 1HD2 LEU 37 2HD2 LEU 37 -1.654 1.989 1.989 268 2HD2 LEU 37 1HD2 LEU 37 -1.873 3.450 3.450 269 3HD2 LEU 37 3HD2 LEU 37 -1.156 2.000 2.000 270 H TYR 38 H TYR 38 -6.524 5.156 5.156 271 HA TYR 38 HA TYR 38 -7.764 3.851 3.851 272 1HB TYR 38 2HB TYR 38 -8.908 5.482 5.482 273 2HB TYR 38 1HB TYR 38 -7.887 6.783 6.783 274 HD1 TYR 38 HD2 TYR 38 -8.156 7.636 7.636 275 HD2 TYR 38 HD1 TYR 38 -10.813 4.660 4.660 276 HE1 TYR 38 HE2 TYR 38 -9.455 7.639 7.639 277 HE2 TYR 38 HE1 TYR 38 -12.193 4.792 4.792 278 HH TYR 38 HH TYR 38 -11.316 6.703 6.703 279 H GLY 39 H GLY 39 -6.383 3.318 3.318 280 1HA GLY 39 1HA GLY 39 -5.588 3.771 3.771 281 2HA GLY 39 2HA GLY 39 -5.647 5.512 5.512 282 H VAL 40 H VAL 40 -4.013 3.176 3.176 283 HA VAL 40 HA VAL 40 -1.446 4.368 4.368 284 HB VAL 40 HB VAL 40 -1.767 3.202 3.202 285 1HG1 VAL 40 2HG1 VAL 40 -1.986 0.618 0.618 286 2HG1 VAL 40 3HG1 VAL 40 -1.857 0.751 0.751 287 3HG1 VAL 40 1HG1 VAL 40 -3.298 1.368 1.368 288 1HG2 VAL 40 3HG2 VAL 40 0.524 3.259 3.259 289 2HG2 VAL 40 2HG2 VAL 40 0.311 1.933 1.933 290 3HG2 VAL 40 1HG2 VAL 40 0.226 1.605 1.605 291 H VAL 41 H VAL 41 -3.259 1.804 1.804 292 HA VAL 41 HA VAL 41 -1.262 0.525 0.525 293 HB VAL 41 HB VAL 41 -4.136 1.117 1.117 294 1HG1 VAL 41 1HG1 VAL 41 -2.179 -1.021 -1.021 295 2HG1 VAL 41 2HG1 VAL 41 -3.903 -0.942 -0.942 296 3HG1 VAL 41 3HG1 VAL 41 -2.808 0.333 0.333 297 1HG2 VAL 41 1HG2 VAL 41 -2.948 -1.286 -1.286 298 2HG2 VAL 41 3HG2 VAL 41 -4.024 -0.075 -0.075 299 3HG2 VAL 41 2HG2 VAL 41 -4.622 -1.134 -1.134 300 H GLY 42 H GLY 42 0.228 1.406 1.406 301 1HA GLY 42 1HA GLY 42 1.015 2.343 2.343 302 2HA GLY 42 2HA GLY 42 -0.475 3.274 3.274 303 H ARG 43 HN ARG 43 0.215 3.812 3.812 304 HA ARG 43 HA ARG 43 1.351 6.435 6.435 305 1HB ARG 43 2HB ARG 43 -0.533 5.536 5.536 306 2HB ARG 43 1HB ARG 43 0.914 5.643 5.643 307 1HG ARG 43 1HG ARG 43 0.023 7.753 7.753 308 2HG ARG 43 2HG ARG 43 1.124 8.062 8.062 309 1HD ARG 43 1HD ARG 43 -1.902 7.561 7.561 310 2HD ARG 43 2HD ARG 43 -1.075 9.086 9.086 311 HE ARG 43 HE ARG 43 -0.268 8.410 8.410 312 1HH1 ARG 43 2HH1 ARG 43 -2.350 5.857 5.857 313 2HH1 ARG 43 1HH1 ARG 43 -2.395 4.942 4.942 314 1HH2 ARG 43 1HH2 ARG 43 -0.433 7.236 7.236 315 2HH2 ARG 43 2HH2 ARG 43 -1.445 5.820 5.820 316 H THR 44 H THR 44 3.343 7.224 7.224 317 HA THR 44 HA THR 44 5.461 5.369 5.369 318 HB THR 44 HB THR 44 5.397 8.301 8.301 319 HG1 THR 44 HG1 THR 44 5.758 7.077 7.077 320 1HG2 THR 44 3HG2 THR 44 7.642 6.476 6.476 321 2HG2 THR 44 1HG2 THR 44 7.781 8.225 8.225 322 3HG2 THR 44 2HG2 THR 44 7.474 7.144 7.144 323 H ALA 45 H ALA 45 6.346 4.422 4.422 324 HA ALA 45 HA ALA 45 4.828 4.414 4.414 325 1HB ALA 45 1HB ALA 45 6.416 2.640 2.640 326 2HB ALA 45 2HB ALA 45 7.778 3.751 3.751 327 3HB ALA 45 3HB ALA 45 6.739 3.225 3.225 328 H GLY 46 H GLY 46 5.021 5.444 5.444 329 1HA GLY 46 1HA GLY 46 5.503 7.088 7.088 330 2HA GLY 46 2HA GLY 46 7.101 7.211 7.211 331 H THR 47 H THR 47 4.066 7.873 7.873 332 HA THR 47 HA THR 47 4.627 10.812 10.812 333 HB THR 47 HB THR 47 4.205 11.142 11.142 334 HG1 THR 47 HG1 THR 47 3.965 8.319 8.319 335 1HG2 THR 47 1HG2 THR 47 6.543 10.630 10.630 336 2HG2 THR 47 3HG2 THR 47 6.286 8.937 8.937 337 3HG2 THR 47 2HG2 THR 47 6.207 10.218 10.218 338 H TYR 48 H TYR 48 2.232 8.590 8.590 339 HA TYR 48 HA TYR 48 0.013 9.997 9.997 340 1HB TYR 48 2HB TYR 48 0.108 7.616 7.616 341 2HB TYR 48 1HB TYR 48 -0.290 8.507 8.507 342 HD1 TYR 48 HD2 TYR 48 -2.417 9.832 9.832 343 HD2 TYR 48 HD1 TYR 48 -1.520 7.305 7.305 344 HE1 TYR 48 HE2 TYR 48 -4.773 9.975 9.975 345 HE2 TYR 48 HE1 TYR 48 -3.858 7.439 7.439 346 HH TYR 48 HH TYR 48 -6.006 8.004 8.004 347 HA PRO 49 HA PRO 49 0.782 13.619 13.619 348 1HB PRO 49 1HB PRO 49 -1.643 14.963 14.963 349 2HB PRO 49 2HB PRO 49 -0.468 14.843 14.843 350 1HG PRO 49 1HG PRO 49 -2.884 13.082 13.082 351 2HG PRO 49 2HG PRO 49 -2.434 13.917 13.917 352 1HD PRO 49 1HD PRO 49 -1.815 11.330 11.330 353 2HD PRO 49 2HD PRO 49 -0.593 12.415 12.415 354 H GLU 50 HN GLU 50 0.209 14.777 14.777 355 HA GLU 50 HA GLU 50 -0.132 14.880 14.880 356 1HB GLU 50 1HB GLU 50 -2.787 13.558 13.558 357 2HB GLU 50 2HB GLU 50 -2.412 14.442 14.442 358 1HG GLU 50 1HG GLU 50 -1.988 16.507 16.507 359 2HG GLU 50 2HG GLU 50 -2.420 15.637 15.637 360 H PHE 51 H PHE 51 1.655 12.966 12.966 361 HA PHE 51 HA PHE 51 1.162 11.359 11.359 362 1HB PHE 51 1HB PHE 51 0.043 10.018 10.018 363 2HB PHE 51 2HB PHE 51 1.636 9.835 9.835 364 HD1 PHE 51 HD2 PHE 51 -0.505 9.088 9.088 365 HD2 PHE 51 HD1 PHE 51 3.409 8.545 8.545 366 HE1 PHE 51 HE2 PHE 51 0.115 7.615 7.615 367 HE2 PHE 51 HE1 PHE 51 4.042 7.117 7.117 368 HZ PHE 51 HZ PHE 51 2.371 6.575 6.575 369 H LYS 52 HN LYS 52 3.011 11.481 11.481 370 HA LYS 52 HA LYS 52 5.521 12.151 12.151 371 1HB LYS 52 2HB LYS 52 4.908 13.125 13.125 372 2HB LYS 52 1HB LYS 52 4.731 11.539 11.539 373 1HG LYS 52 2HG LYS 52 6.836 12.661 12.661 374 2HG LYS 52 1HG LYS 52 7.084 11.087 11.087 375 1HD LYS 52 2HD LYS 52 7.707 12.198 12.198 376 2HD LYS 52 1HD LYS 52 7.361 13.783 13.783 377 1HE LYS 52 2HE LYS 52 9.768 13.314 13.314 378 2HE LYS 52 1HE LYS 52 9.201 13.413 13.413 379 1HZ LYS 52 3HZ LYS 52 9.572 10.900 10.900 380 2HZ LYS 52 1HZ LYS 52 10.680 11.544 11.544 381 3HZ LYS 52 2HZ LYS 52 9.208 11.053 11.053 382 H TYR 53 H TYR 53 6.232 10.456 10.456 383 HA TYR 53 HA TYR 53 6.329 7.695 7.695 384 1HB TYR 53 2HB TYR 53 7.679 8.954 8.954 385 2HB TYR 53 1HB TYR 53 7.405 7.246 7.246 386 HD1 TYR 53 HD1 TYR 53 5.212 6.194 6.194 387 HD2 TYR 53 HD2 TYR 53 5.851 10.322 10.322 388 HE1 TYR 53 HE1 TYR 53 3.071 6.215 6.215 389 HE2 TYR 53 HE2 TYR 53 3.643 10.374 10.374 390 HH TYR 53 HH TYR 53 1.683 9.247 9.247 391 H LYS 54 HN LYS 54 8.616 6.717 6.717 392 HA LYS 54 HA LYS 54 10.711 7.815 7.815 393 1HB LYS 54 1HB LYS 54 10.467 5.036 5.036 394 2HB LYS 54 2HB LYS 54 11.506 5.539 5.539 395 1HG LYS 54 1HG LYS 54 8.446 5.367 5.367 396 2HG LYS 54 2HG LYS 54 9.589 4.236 4.236 397 1HD LYS 54 2HD LYS 54 10.467 6.091 6.091 398 2HD LYS 54 1HD LYS 54 9.240 7.168 7.168 399 1HE LYS 54 1HE LYS 54 8.416 6.358 6.358 400 2HE LYS 54 2HE LYS 54 7.445 5.629 5.629 401 1HZ LYS 54 1HZ LYS 54 9.681 4.336 4.336 402 2HZ LYS 54 3HZ LYS 54 8.081 4.054 4.054 403 3HZ LYS 54 2HZ LYS 54 8.754 3.639 3.639 404 H ASP 55 HN ASP 55 12.879 7.682 7.682 405 HA ASP 55 HA ASP 55 13.322 8.768 8.768 406 1HB ASP 55 2HB ASP 55 14.853 9.035 9.035 407 2HB ASP 55 1HB ASP 55 15.233 7.301 7.301 408 H SER 56 H SER 56 13.124 5.339 5.339 409 HA SER 56 HA SER 56 14.778 4.220 4.220 410 1HB SER 56 1HB SER 56 13.402 2.184 2.184 411 2HB SER 56 2HB SER 56 14.463 3.029 3.029 412 HG SER 56 HG SER 56 12.168 2.636 2.636 413 H ILE 57 H ILE 57 11.335 4.008 4.008 414 HA ILE 57 HA ILE 57 10.535 3.131 3.131 415 HB ILE 57 HB ILE 57 9.367 3.118 3.118 416 1HG1 ILE 57 2HG1 ILE 57 7.669 3.747 3.747 417 2HG1 ILE 57 1HG1 ILE 57 8.480 2.200 2.200 418 1HG2 ILE 57 2HG2 ILE 57 9.255 5.517 5.517 419 2HG2 ILE 57 1HG2 ILE 57 8.123 5.714 5.714 420 3HG2 ILE 57 3HG2 ILE 57 7.666 4.775 4.775 421 1HD1 ILE 57 1HD1 ILE 57 7.169 1.928 1.928 422 2HD1 ILE 57 3HD1 ILE 57 6.223 3.369 3.369 423 3HD1 ILE 57 2HD1 ILE 57 6.201 1.933 1.933 424 H VAL 58 H VAL 58 10.852 6.516 6.516 425 HA VAL 58 HA VAL 58 9.809 7.731 7.731 426 HB VAL 58 HB VAL 58 11.825 8.645 8.645 427 1HG1 VAL 58 1HG2 VAL 58 10.646 10.245 10.245 428 2HG1 VAL 58 2HG2 VAL 58 11.457 10.953 10.953 429 3HG1 VAL 58 3HG2 VAL 58 12.369 9.925 9.925 430 1HG2 VAL 58 2HG1 VAL 58 9.368 8.312 8.312 431 2HG2 VAL 58 3HG1 VAL 58 9.947 9.976 9.976 432 3HG2 VAL 58 1HG1 VAL 58 8.960 9.539 9.539 433 H ALA 59 H ALA 59 13.230 6.815 6.815 434 HA ALA 59 HA ALA 59 14.348 7.653 7.653 435 1HB ALA 59 1HB ALA 59 15.694 7.078 7.078 436 2HB ALA 59 2HB ALA 59 15.224 5.371 5.371 437 3HB ALA 59 3HB ALA 59 16.207 6.134 6.134 438 H LEU 60 H LEU 60 12.987 4.477 4.477 439 HA LEU 60 HA LEU 60 13.501 3.105 3.105 440 1HB LEU 60 1HB LEU 60 12.647 2.178 2.178 441 2HB LEU 60 2HB LEU 60 11.061 2.824 2.824 442 HG LEU 60 HG LEU 60 11.056 1.393 1.393 443 1HD1 LEU 60 3HD2 LEU 60 13.527 0.147 0.147 444 2HD1 LEU 60 2HD2 LEU 60 12.581 -0.554 -0.554 445 3HD1 LEU 60 1HD2 LEU 60 13.445 0.964 0.964 446 1HD2 LEU 60 3HD1 LEU 60 9.930 0.746 0.746 447 2HD2 LEU 60 1HD1 LEU 60 10.487 -0.659 -0.659 448 3HD2 LEU 60 2HD1 LEU 60 11.409 -0.098 -0.098 449 H GLY 61 H GLY 61 10.686 5.055 5.055 450 1HA GLY 61 1HA GLY 61 9.076 4.996 4.996 451 2HA GLY 61 2HA GLY 61 9.247 6.353 6.353 452 H ALA 62 H ALA 62 11.553 7.413 7.413 453 HA ALA 62 HA ALA 62 11.544 8.943 8.943 454 1HB ALA 62 1HB ALA 62 12.590 9.619 9.619 455 2HB ALA 62 2HB ALA 62 13.880 8.421 8.421 456 3HB ALA 62 3HB ALA 62 13.707 9.788 9.788 457 H SER 63 H SER 63 13.243 5.890 5.890 458 HA SER 63 HA SER 63 14.890 5.948 5.948 459 1HB SER 63 1HB SER 63 13.890 3.507 3.507 460 2HB SER 63 2HB SER 63 15.296 3.616 3.616 461 HG SER 63 HG SER 63 14.949 5.085 5.085 462 H GLY 64 H GLY 64 11.542 5.906 5.906 463 1HA GLY 64 1HA GLY 64 10.249 5.926 5.926 464 2HA GLY 64 2HA GLY 64 11.373 4.836 4.836 465 H PHE 65 H PHE 65 10.214 4.286 4.286 466 HA PHE 65 HA PHE 65 9.162 1.700 1.700 467 1HB PHE 65 1HB PHE 65 10.494 1.671 1.671 468 2HB PHE 65 2HB PHE 65 9.447 2.870 2.870 469 HD1 PHE 65 HD2 PHE 65 8.080 -0.040 -0.040 470 HD2 PHE 65 HD1 PHE 65 8.812 1.664 1.664 471 HE1 PHE 65 HE2 PHE 65 6.500 -1.595 -1.595 472 HE2 PHE 65 HE1 PHE 65 7.413 -0.095 -0.095 473 HZ PHE 65 HZ PHE 65 6.338 -1.812 -1.812 474 H ALA 66 H ALA 66 7.301 2.059 2.059 475 HA ALA 66 HA ALA 66 5.021 3.510 3.510 476 1HB ALA 66 2HB ALA 66 5.301 1.969 1.969 477 2HB ALA 66 1HB ALA 66 3.887 2.914 2.914 478 3HB ALA 66 3HB ALA 66 5.430 3.733 3.733 479 H TRP 67 H TRP 67 3.541 2.440 2.440 480 HA TRP 67 HA TRP 67 3.930 -0.314 -0.314 481 1HB TRP 67 2HB TRP 67 1.797 1.745 1.745 482 2HB TRP 67 1HB TRP 67 1.554 0.065 0.065 483 HD1 TRP 67 HD1 TRP 67 2.849 3.135 3.135 484 HE1 TRP 67 HE1 TRP 67 4.101 2.654 2.654 485 HE3 TRP 67 HE3 TRP 67 3.385 -1.942 -1.942 486 HZ2 TRP 67 HZ2 TRP 67 5.425 0.464 0.464 487 HZ3 TRP 67 HZ3 TRP 67 4.588 -3.197 -3.197 488 HH2 TRP 67 HH2 TRP 67 5.733 -1.988 -1.988 489 H THR 68 H THR 68 3.657 -1.862 -1.862 490 HA THR 68 HA THR 68 1.302 -1.835 -1.835 491 HB THR 68 HB THR 68 2.181 -3.855 -3.855 492 HG1 THR 68 HG1 THR 68 4.444 -3.908 -3.908 493 1HG2 THR 68 3HG2 THR 68 3.246 -1.746 -1.746 494 2HG2 THR 68 2HG2 THR 68 4.523 -1.954 -1.954 495 3HG2 THR 68 1HG2 THR 68 4.347 -3.135 -3.135 496 H GLU 69 HN GLU 69 -0.248 -3.737 -3.737 497 HA GLU 69 HA GLU 69 -1.207 -4.348 -4.348 498 1HB GLU 69 1HB GLU 69 -2.446 -6.084 -6.084 499 2HB GLU 69 2HB GLU 69 -2.595 -4.459 -4.459 500 1HG GLU 69 2HG GLU 69 -1.019 -5.063 -5.063 501 2HG GLU 69 1HG GLU 69 -0.789 -6.661 -6.661 502 H GLU 70 HN GLU 70 1.199 -5.956 -5.956 503 HA GLU 70 HA GLU 70 1.450 -8.400 -8.400 504 1HB GLU 70 2HB GLU 70 3.584 -6.928 -6.928 505 2HB GLU 70 1HB GLU 70 3.554 -8.641 -8.641 506 1HG GLU 70 1HG GLU 70 1.562 -7.218 -7.218 507 2HG GLU 70 2HG GLU 70 2.936 -8.202 -8.202 508 H ASP 71 HN ASP 71 3.393 -5.388 -5.388 509 HA ASP 71 HA ASP 71 5.155 -6.047 -6.047 510 1HB ASP 71 1HB ASP 71 4.119 -3.396 -3.396 511 2HB ASP 71 2HB ASP 71 5.258 -3.512 -3.512 512 H ILE 72 H ILE 72 2.010 -4.267 -4.267 513 HA ILE 72 HA ILE 72 1.999 -3.875 -3.875 514 HB ILE 72 HB ILE 72 -0.308 -4.354 -4.354 515 1HG1 ILE 72 2HG1 ILE 72 0.573 -1.726 -1.726 516 2HG1 ILE 72 1HG1 ILE 72 1.218 -2.287 -2.287 517 1HG2 ILE 72 3HG2 ILE 72 -0.358 -3.374 -3.374 518 2HG2 ILE 72 2HG2 ILE 72 -1.744 -3.318 -3.318 519 3HG2 ILE 72 1HG2 ILE 72 -1.091 -4.869 -4.869 520 1HD1 ILE 72 2HD1 ILE 72 -1.025 -2.402 -2.402 521 2HD1 ILE 72 3HD1 ILE 72 -1.724 -1.753 -1.753 522 3HD1 ILE 72 1HD1 ILE 72 -0.606 -0.773 -0.773 523 H ALA 73 H ALA 73 0.568 -6.564 -6.564 524 HA ALA 73 HA ALA 73 -0.338 -8.094 -8.094 525 1HB ALA 73 2HB ALA 73 -0.941 -8.498 -8.498 526 2HB ALA 73 1HB ALA 73 0.709 -9.053 -9.053 527 3HB ALA 73 3HB ALA 73 -0.322 -9.984 -9.984 528 H THR 74 H THR 74 2.905 -8.068 -8.068 529 HA THR 74 HA THR 74 3.898 -10.293 -10.293 530 HB THR 74 HB THR 74 5.430 -8.037 -8.037 531 HG1 THR 74 HG1 THR 74 4.062 -9.103 -9.103 532 1HG2 THR 74 3HG2 THR 74 6.246 -10.882 -10.882 533 2HG2 THR 74 2HG2 THR 74 7.225 -9.728 -9.728 534 3HG2 THR 74 1HG2 THR 74 6.849 -9.400 -9.400 535 H TYR 75 H TYR 75 4.375 -6.748 -6.748 536 HA TYR 75 HA TYR 75 6.043 -6.561 -6.561 537 1HB TYR 75 2HB TYR 75 5.563 -4.657 -4.657 538 2HB TYR 75 1HB TYR 75 3.825 -4.787 -4.787 539 HD1 TYR 75 HD1 TYR 75 6.938 -4.291 -4.291 540 HD2 TYR 75 HD2 TYR 75 2.732 -3.469 -3.469 541 HE1 TYR 75 HE1 TYR 75 7.089 -2.610 -2.610 542 HE2 TYR 75 HE2 TYR 75 2.891 -1.843 -1.843 543 HH TYR 75 HH TYR 75 4.233 -0.997 -0.997 544 H VAL 76 H VAL 76 2.437 -6.703 -6.703 545 HA VAL 76 HA VAL 76 2.413 -6.446 -6.446 546 HB VAL 76 HB VAL 76 0.328 -7.806 -7.806 547 1HG1 VAL 76 3HG1 VAL 76 0.557 -5.484 -5.484 548 2HG1 VAL 76 2HG1 VAL 76 -0.963 -6.109 -6.109 549 3HG1 VAL 76 1HG1 VAL 76 0.227 -5.369 -5.369 550 1HG2 VAL 76 2HG2 VAL 76 0.852 -9.257 -9.257 551 2HG2 VAL 76 3HG2 VAL 76 -0.717 -8.455 -8.455 552 3HG2 VAL 76 1HG2 VAL 76 0.609 -7.838 -7.838 553 H LYS 77 HN LYS 77 3.297 -9.274 -9.274 554 HA LYS 77 HA LYS 77 3.035 -11.148 -11.148 555 1HB LYS 77 1HB LYS 77 4.682 -11.497 -11.497 556 2HB LYS 77 2HB LYS 77 4.081 -12.744 -12.744 557 1HG LYS 77 2HG LYS 77 1.702 -11.826 -11.826 558 2HG LYS 77 1HG LYS 77 2.482 -10.944 -10.944 559 1HD LYS 77 2HD LYS 77 3.310 -13.081 -13.081 560 2HD LYS 77 1HD LYS 77 2.498 -13.971 -13.971 561 1HE LYS 77 2HE LYS 77 0.304 -12.988 -12.988 562 2HE LYS 77 1HE LYS 77 1.131 -12.157 -12.157 563 1HZ LYS 77 3HZ LYS 77 1.771 -14.301 -14.301 564 2HZ LYS 77 2HZ LYS 77 0.961 -15.063 -15.063 565 3HZ LYS 77 1HZ LYS 77 0.133 -14.163 -14.163 566 H ASP 78 HN ASP 78 5.488 -8.774 -8.774 567 HA ASP 78 HA ASP 78 6.886 -9.508 -9.508 568 1HB ASP 78 1HB ASP 78 7.752 -11.170 -11.170 569 2HB ASP 78 2HB ASP 78 8.763 -9.772 -9.772 570 HA PRO 79 HA PRO 79 7.382 -5.155 -5.155 571 1HB PRO 79 2HB PRO 79 6.529 -3.892 -3.892 572 2HB PRO 79 1HB PRO 79 5.470 -4.331 -4.331 573 1HG PRO 79 1HG PRO 79 5.926 -5.828 -5.828 574 2HG PRO 79 2HG PRO 79 4.389 -5.487 -5.487 575 1HD PRO 79 1HD PRO 79 5.610 -7.912 -7.912 576 2HD PRO 79 2HD PRO 79 4.766 -7.129 -7.129 577 H GLY 80 H GLY 80 9.006 -3.786 -3.786 578 1HA GLY 80 1HA GLY 80 11.017 -3.141 -3.141 579 2HA GLY 80 2HA GLY 80 10.793 -4.418 -4.418 580 H ALA 81 H ALA 81 10.734 -6.735 -6.735 581 HA ALA 81 HA ALA 81 13.340 -7.274 -7.274 582 1HB ALA 81 1HB ALA 81 11.818 -8.982 -8.982 583 2HB ALA 81 2HB ALA 81 10.826 -8.882 -8.882 584 3HB ALA 81 3HB ALA 81 12.491 -9.478 -9.478 585 H PHE 82 H PHE 82 10.201 -6.855 -6.855 586 HA PHE 82 HA PHE 82 10.896 -7.090 -7.090 587 1HB PHE 82 1HB PHE 82 8.647 -6.667 -6.667 588 2HB PHE 82 2HB PHE 82 9.097 -5.033 -5.033 589 HD1 PHE 82 HD1 PHE 82 8.413 -7.341 -7.341 590 HD2 PHE 82 HD2 PHE 82 9.088 -3.246 -3.246 591 HE1 PHE 82 HE1 PHE 82 7.470 -6.546 -6.546 592 HE2 PHE 82 HE2 PHE 82 8.137 -2.471 -2.471 593 HZ PHE 82 HZ PHE 82 7.297 -4.119 -4.119 594 H LEU 83 H LEU 83 11.075 -4.022 -4.022 595 HA LEU 83 HA LEU 83 12.210 -2.444 -2.444 596 1HB LEU 83 2HB LEU 83 12.237 -2.209 -2.209 597 2HB LEU 83 1HB LEU 83 12.896 -1.064 -1.064 598 HG LEU 83 HG LEU 83 10.436 -1.185 -1.185 599 1HD1 LEU 83 1HD2 LEU 83 10.075 -1.532 -1.532 600 2HD1 LEU 83 2HD2 LEU 83 8.813 -1.048 -1.048 601 3HD1 LEU 83 3HD2 LEU 83 9.532 -2.670 -2.670 602 1HD2 LEU 83 2HD1 LEU 83 11.400 0.531 0.531 603 2HD2 LEU 83 1HD1 LEU 83 11.675 0.861 0.861 604 3HD2 LEU 83 3HD1 LEU 83 10.034 0.932 0.932 605 H LYS 84 HN LYS 84 13.730 -4.285 -4.285 606 HA LYS 84 HA LYS 84 16.421 -3.547 -3.547 607 1HB LYS 84 2HB LYS 84 15.242 -6.114 -6.114 608 2HB LYS 84 1HB LYS 84 16.974 -5.750 -5.750 609 1HG LYS 84 1HG LYS 84 16.727 -3.864 -3.864 610 2HG LYS 84 2HG LYS 84 14.957 -3.864 -3.864 611 1HD LYS 84 2HD LYS 84 14.775 -5.979 -5.979 612 2HD LYS 84 1HD LYS 84 16.534 -6.128 -6.128 613 1HE LYS 84 2HE LYS 84 14.877 -3.874 -3.874 614 2HE LYS 84 1HE LYS 84 15.437 -5.315 -5.315 615 1HZ LYS 84 2HZ LYS 84 17.690 -4.656 -4.656 616 2HZ LYS 84 1HZ LYS 84 17.161 -3.269 -3.269 617 3HZ LYS 84 3HZ LYS 84 16.901 -3.513 -3.513 618 H GLU 85 HN GLU 85 14.573 -6.347 -6.347 619 HA GLU 85 HA GLU 85 16.549 -7.444 -7.444 620 1HB GLU 85 1HB GLU 85 14.377 -8.488 -8.488 621 2HB GLU 85 2HB GLU 85 13.534 -7.353 -7.353 622 1HG GLU 85 1HG GLU 85 14.786 -8.275 -8.275 623 2HG GLU 85 2HG GLU 85 15.616 -9.406 -9.406 624 H LYS 86 HN LYS 86 14.034 -5.010 -5.010 625 HA LYS 86 HA LYS 86 15.055 -4.806 -4.806 626 1HB LYS 86 2HB LYS 86 13.131 -3.043 -3.043 627 2HB LYS 86 1HB LYS 86 13.493 -2.909 -2.909 628 1HG LYS 86 2HG LYS 86 12.708 -5.248 -5.248 629 2HG LYS 86 1HG LYS 86 12.361 -5.397 -5.397 630 1HD LYS 86 1HD LYS 86 10.299 -4.974 -4.974 631 2HD LYS 86 2HD LYS 86 10.718 -3.526 -3.526 632 1HE LYS 86 1HE LYS 86 11.484 -2.403 -2.403 633 2HE LYS 86 2HE LYS 86 11.209 -3.892 -3.892 634 1HZ LYS 86 2HZ LYS 86 9.146 -2.341 -2.341 635 2HZ LYS 86 3HZ LYS 86 9.439 -2.315 -2.315 636 3HZ LYS 86 1HZ LYS 86 8.882 -3.691 -3.691 637 H LEU 87 H LEU 87 15.363 -2.629 -2.629 638 HA LEU 87 HA LEU 87 16.837 -0.684 -0.684 639 1HB LEU 87 2HB LEU 87 15.169 -0.249 -0.249 640 2HB LEU 87 1HB LEU 87 16.413 -0.829 -0.829 641 HG LEU 87 HG LEU 87 17.889 1.034 1.034 642 1HD1 LEU 87 3HD2 LEU 87 15.559 1.871 1.871 643 2HD1 LEU 87 2HD2 LEU 87 16.911 2.929 2.929 644 3HD1 LEU 87 1HD2 LEU 87 17.218 1.488 1.488 645 1HD2 LEU 87 3HD1 LEU 87 16.282 1.302 1.302 646 2HD2 LEU 87 2HD1 LEU 87 16.582 2.835 2.835 647 3HD2 LEU 87 1HD1 LEU 87 15.075 1.946 1.946 648 H ASP 88 HN ASP 88 17.705 -3.402 -3.402 649 HA ASP 88 HA ASP 88 19.628 -4.254 -4.254 650 1HB ASP 88 1HB ASP 88 20.087 -4.367 -4.367 651 2HB ASP 88 2HB ASP 88 20.809 -2.753 -2.753 652 H ASP 89 HN ASP 89 18.796 -2.305 -2.305 653 HA ASP 89 HA ASP 89 21.234 -0.872 -0.872 654 1HB ASP 89 1HB ASP 89 19.939 0.755 0.755 655 2HB ASP 89 2HB ASP 89 18.428 0.154 0.154 656 H LYS 90 HN LYS 90 21.612 -1.198 -1.198 657 HA LYS 90 HA LYS 90 20.113 -3.004 -3.004 658 1HB LYS 90 2HB LYS 90 22.508 -2.547 -2.547 659 2HB LYS 90 1HB LYS 90 22.156 -0.869 -0.869 660 1HG LYS 90 2HG LYS 90 22.666 -2.202 -2.202 661 2HG LYS 90 1HG LYS 90 21.011 -1.592 -1.592 662 1HD LYS 90 1HD LYS 90 20.123 -3.791 -3.791 663 2HD LYS 90 2HD LYS 90 21.772 -4.406 -4.406 664 1HE LYS 90 2HE LYS 90 22.269 -4.064 -4.064 665 2HE LYS 90 1HE LYS 90 20.630 -3.430 -3.430 666 1HZ LYS 90 1HZ LYS 90 21.298 -6.140 -6.140 667 2HZ LYS 90 2HZ LYS 90 20.800 -5.721 -5.721 668 3HZ LYS 90 3HZ LYS 90 19.775 -5.553 -5.553 669 H LYS 91 HN LYS 91 19.953 0.541 0.541 670 HA LYS 91 HA LYS 91 18.144 0.823 0.823 671 1HB LYS 91 1HB LYS 91 19.055 2.874 2.874 672 2HB LYS 91 2HB LYS 91 18.258 3.218 3.218 673 1HG LYS 91 2HG LYS 91 20.217 2.153 2.153 674 2HG LYS 91 1HG LYS 91 21.047 2.029 2.029 675 1HD LYS 91 2HD LYS 91 20.096 4.616 4.616 676 2HD LYS 91 1HD LYS 91 21.762 4.015 4.015 677 1HE LYS 91 2HE LYS 91 21.663 4.109 4.109 678 2HE LYS 91 1HE LYS 91 20.070 4.879 4.879 679 1HZ LYS 91 2HZ LYS 91 21.076 6.642 6.642 680 2HZ LYS 91 1HZ LYS 91 22.564 5.942 5.942 681 3HZ LYS 91 3HZ LYS 91 21.786 6.477 6.477 682 H ALA 92 H ALA 92 17.473 -0.610 -0.610 683 HA ALA 92 HA ALA 92 15.226 0.892 0.892 684 1HB ALA 92 1HB ALA 92 16.585 -0.609 -0.609 685 2HB ALA 92 2HB ALA 92 16.022 -1.979 -1.979 686 3HB ALA 92 3HB ALA 92 14.886 -1.064 -1.064 687 H LYS 93 HN LYS 93 14.424 1.146 1.146 688 HA LYS 93 HA LYS 93 12.851 -1.131 -1.131 689 1HB LYS 93 1HB LYS 93 13.401 1.677 1.677 690 2HB LYS 93 2HB LYS 93 12.585 0.403 0.403 691 1HG LYS 93 1HG LYS 93 14.590 -1.007 -1.007 692 2HG LYS 93 2HG LYS 93 15.465 0.196 0.196 693 1HD LYS 93 1HD LYS 93 14.401 0.547 0.547 694 2HD LYS 93 2HD LYS 93 16.084 0.284 0.284 695 1HE LYS 93 2HE LYS 93 14.391 2.757 2.757 696 2HE LYS 93 1HE LYS 93 15.764 2.629 2.629 697 1HZ LYS 93 1HZ LYS 93 17.164 2.173 2.173 698 2HZ LYS 93 3HZ LYS 93 15.896 2.311 2.311 699 3HZ LYS 93 2HZ LYS 93 16.393 3.617 3.617 700 H THR 94 H THR 94 10.635 -0.208 -0.208 701 HA THR 94 HA THR 94 9.267 1.787 1.787 702 HB THR 94 HB THR 94 8.843 -0.061 -0.061 703 HG1 THR 94 HG1 THR 94 6.935 0.983 0.983 704 1HG2 THR 94 3HG2 THR 94 9.444 -1.968 -1.968 705 2HG2 THR 94 2HG2 THR 94 7.917 -1.707 -1.707 706 3HG2 THR 94 1HG2 THR 94 7.900 -2.179 -2.179 707 H GLY 95 H GLY 95 7.188 2.217 2.217 708 1HA GLY 95 1HA GLY 95 7.171 1.845 1.845 709 2HA GLY 95 2HA GLY 95 6.039 2.795 2.795 710 H MET 96 H MET 96 5.979 0.118 0.118 711 HA MET 96 HA MET 96 3.542 -0.733 -0.733 712 1HB MET 96 1HB MET 96 4.276 -0.653 -0.653 713 2HB MET 96 2HB MET 96 5.220 -2.096 -2.096 714 1HG MET 96 1HG MET 96 3.353 -3.438 -3.438 715 2HG MET 96 2HG MET 96 2.365 -2.170 -2.170 716 1HE MET 96 2HE MET 96 3.126 -4.246 -4.246 717 2HE MET 96 1HE MET 96 1.480 -4.411 -4.411 718 3HE MET 96 3HE MET 96 1.724 -3.765 -3.765 719 H ALA 97 H ALA 97 4.311 -1.240 -1.240 720 HA ALA 97 HA ALA 97 5.607 -3.794 -3.794 721 1HB ALA 97 3HB ALA 97 5.734 -1.916 -1.916 722 2HB ALA 97 1HB ALA 97 3.976 -1.988 -1.988 723 3HB ALA 97 2HB ALA 97 5.005 -3.345 -3.345 724 H PHE 98 H PHE 98 3.898 -4.594 -4.594 725 HA PHE 98 HA PHE 98 2.069 -6.413 -6.413 726 1HB PHE 98 1HB PHE 98 0.536 -4.541 -4.541 727 2HB PHE 98 2HB PHE 98 1.087 -4.082 -4.082 728 HD1 PHE 98 HD1 PHE 98 -1.016 -6.500 -6.500 729 HD2 PHE 98 HD2 PHE 98 0.351 -5.244 -5.244 730 HE1 PHE 98 HE1 PHE 98 -2.766 -7.891 -7.891 731 HE2 PHE 98 HE2 PHE 98 -1.363 -6.680 -6.680 732 HZ PHE 98 HZ PHE 98 -2.954 -7.974 -7.974 733 H LYS 99 HN LYS 99 1.733 -8.211 -8.211 734 HA LYS 99 HA LYS 99 2.616 -7.947 -7.947 735 1HB LYS 99 2HB LYS 99 3.638 -10.286 -10.286 736 2HB LYS 99 1HB LYS 99 4.120 -9.741 -9.741 737 1HG LYS 99 1HG LYS 99 5.033 -7.628 -7.628 738 2HG LYS 99 2HG LYS 99 4.823 -8.508 -8.508 739 1HD LYS 99 2HD LYS 99 6.340 -10.269 -10.269 740 2HD LYS 99 1HD LYS 99 6.414 -9.626 -9.626 741 1HE LYS 99 1HE LYS 99 7.478 -7.536 -7.536 742 2HE LYS 99 2HE LYS 99 7.460 -8.204 -8.204 743 1HZ LYS 99 1HZ LYS 99 8.860 -9.979 -9.979 744 2HZ LYS 99 2HZ LYS 99 8.861 -9.340 -9.340 745 3HZ LYS 99 3HZ LYS 99 9.554 -8.510 -8.510 746 H LEU 100 H LEU 100 1.778 -9.771 -9.771 747 HA LEU 100 HA LEU 100 0.088 -11.738 -11.738 748 1HB LEU 100 2HB LEU 100 -1.425 -9.772 -9.772 749 2HB LEU 100 1HB LEU 100 -1.080 -9.678 -9.678 750 HG LEU 100 HG LEU 100 -2.046 -12.001 -12.001 751 1HD1 LEU 100 3HD2 LEU 100 -2.786 -11.615 -11.615 752 2HD1 LEU 100 2HD2 LEU 100 -3.510 -12.832 -12.832 753 3HD1 LEU 100 1HD2 LEU 100 -1.791 -12.918 -12.918 754 1HD2 LEU 100 2HD1 LEU 100 -3.375 -9.967 -9.967 755 2HD2 LEU 100 3HD1 LEU 100 -4.354 -11.307 -11.307 756 3HD2 LEU 100 1HD1 LEU 100 -3.920 -9.959 -9.959 757 H ALA 101 H ALA 101 1.025 -13.474 -13.474 758 HA ALA 101 HA ALA 101 2.132 -13.371 -13.371 759 1HB ALA 101 3HB ALA 101 3.208 -14.598 -14.598 760 2HB ALA 101 2HB ALA 101 1.814 -15.700 -15.700 761 3HB ALA 101 1HB ALA 101 2.835 -15.655 -15.655 762 H LYS 102 HN LYS 102 -0.547 -12.737 -12.737 763 HA LYS 102 HA LYS 102 -1.506 -14.452 -14.452 764 1HB LYS 102 1HB LYS 102 -3.541 -15.378 -15.378 765 2HB LYS 102 2HB LYS 102 -2.056 -16.094 -16.094 766 1HG LYS 102 2HG LYS 102 -2.143 -14.652 -14.652 767 2HG LYS 102 1HG LYS 102 -3.581 -13.838 -13.838 768 1HD LYS 102 2HD LYS 102 -4.267 -15.431 -15.431 769 2HD LYS 102 1HD LYS 102 -4.840 -15.971 -15.971 770 1HE LYS 102 1HE LYS 102 -3.018 -17.635 -17.635 771 2HE LYS 102 2HE LYS 102 -2.311 -17.008 -17.008 772 1HZ LYS 102 3HZ LYS 102 -4.950 -18.266 -18.266 773 2HZ LYS 102 1HZ LYS 102 -3.598 -18.970 -18.970 774 3HZ LYS 102 2HZ LYS 102 -4.294 -17.694 -17.694 775 H GLY 103 H GLY 103 -4.086 -13.785 -13.785 776 1HA GLY 103 1HA GLY 103 -5.681 -12.139 -12.139 777 2HA GLY 103 2HA GLY 103 -4.785 -11.238 -11.238 778 H GLY 104 H GLY 104 -2.421 -10.670 -10.670 779 1HA GLY 104 1HA GLY 104 -2.402 -8.382 -8.382 780 2HA GLY 104 2HA GLY 104 -1.262 -9.644 -9.644 781 H GLU 105 HN GLU 105 -2.799 -11.323 -11.323 782 HA GLU 105 HA GLU 105 -2.873 -9.893 -9.893 783 1HB GLU 105 2HB GLU 105 -3.952 -12.110 -12.110 784 2HB GLU 105 1HB GLU 105 -2.265 -12.103 -12.103 785 1HG GLU 105 1HG GLU 105 -4.463 -12.877 -12.877 786 2HG GLU 105 2HG GLU 105 -3.799 -14.006 -14.006 787 H ASP 106 HN ASP 106 -5.397 -11.063 -11.063 788 HA ASP 106 HA ASP 106 -7.650 -10.310 -10.310 789 1HB ASP 106 2HB ASP 106 -7.507 -10.752 -10.752 790 2HB ASP 106 1HB ASP 106 -8.942 -10.734 -10.734 791 H VAL 107 H VAL 107 -5.883 -8.916 -8.916 792 HA VAL 107 HA VAL 107 -7.418 -6.540 -6.540 793 HB VAL 107 HB VAL 107 -4.524 -7.144 -7.144 794 1HG1 VAL 107 3HG2 VAL 107 -6.321 -4.780 -4.780 795 2HG1 VAL 107 1HG2 VAL 107 -4.894 -5.239 -5.239 796 3HG1 VAL 107 2HG2 VAL 107 -4.707 -4.736 -4.736 797 1HG2 VAL 107 2HG1 VAL 107 -6.298 -8.533 -8.533 798 2HG2 VAL 107 1HG1 VAL 107 -5.423 -7.461 -7.461 799 3HG2 VAL 107 3HG1 VAL 107 -7.049 -7.021 -7.021 800 H ALA 108 H ALA 108 -4.491 -7.213 -7.213 801 HA ALA 108 HA ALA 108 -4.225 -4.598 -4.598 802 1HB ALA 108 2HB ALA 108 -2.479 -6.314 -6.314 803 2HB ALA 108 3HB ALA 108 -3.514 -7.268 -7.268 804 3HB ALA 108 1HB ALA 108 -2.940 -5.663 -5.663 805 H ALA 109 H ALA 109 -6.080 -7.449 -7.449 806 HA ALA 109 HA ALA 109 -7.183 -6.152 -6.152 807 1HB ALA 109 3HB ALA 109 -7.321 -8.570 -8.570 808 2HB ALA 109 2HB ALA 109 -8.443 -8.331 -8.331 809 3HB ALA 109 1HB ALA 109 -8.926 -7.872 -7.872 810 H TYR 110 H TYR 110 -8.387 -6.300 -6.300 811 HA TYR 110 HA TYR 110 -10.769 -4.817 -4.817 812 1HB TYR 110 2HB TYR 110 -10.475 -5.952 -5.952 813 2HB TYR 110 1HB TYR 110 -8.928 -5.199 -5.199 814 HD1 TYR 110 HD2 TYR 110 -12.533 -4.251 -4.251 815 HD2 TYR 110 HD1 TYR 110 -8.832 -3.441 -3.441 816 HE1 TYR 110 HE2 TYR 110 -13.673 -2.544 -2.544 817 HE2 TYR 110 HE1 TYR 110 -9.980 -1.729 -1.729 818 HH TYR 110 HH TYR 110 -13.458 -1.001 -1.001 819 H LEU 111 H LEU 111 -7.494 -3.604 -3.604 820 HA LEU 111 HA LEU 111 -8.191 -0.864 -0.864 821 1HB LEU 111 1HB LEU 111 -5.556 -2.252 -2.252 822 2HB LEU 111 2HB LEU 111 -5.715 -0.501 -0.501 823 HG LEU 111 HG LEU 111 -6.623 -2.445 -2.445 824 1HD1 LEU 111 3HD1 LEU 111 -3.942 -1.035 -1.035 825 2HD1 LEU 111 2HD1 LEU 111 -4.494 -1.953 -1.953 826 3HD1 LEU 111 1HD1 LEU 111 -4.228 -2.785 -2.785 827 1HD2 LEU 111 2HD2 LEU 111 -6.002 0.540 0.540 828 2HD2 LEU 111 3HD2 LEU 111 -7.598 -0.204 -0.204 829 3HD2 LEU 111 1HD2 LEU 111 -6.335 -0.422 -0.422 830 H ALA 112 H ALA 112 -6.936 -2.893 -2.893 831 HA ALA 112 HA ALA 112 -6.874 -0.906 -0.906 832 1HB ALA 112 3HB ALA 112 -5.877 -3.148 -3.148 833 2HB ALA 112 1HB ALA 112 -7.500 -3.867 -3.867 834 3HB ALA 112 2HB ALA 112 -6.956 -2.755 -2.755 835 H SER 113 H SER 113 -9.600 -2.944 -2.944 836 HA SER 113 HA SER 113 -11.474 -1.996 -1.996 837 1HB SER 113 1HB SER 113 -12.063 -3.141 -3.141 838 2HB SER 113 2HB SER 113 -13.157 -3.052 -3.052 839 HG SER 113 HG SER 113 -10.713 -4.522 -4.522 840 H VAL 114 H VAL 114 -10.634 -1.005 -1.005 841 HA VAL 114 HA VAL 114 -12.721 0.867 0.867 842 HB VAL 114 HB VAL 114 -10.006 0.323 0.323 843 1HG1 VAL 114 2HG1 VAL 114 -11.835 2.556 2.556 844 2HG1 VAL 114 1HG1 VAL 114 -10.452 1.900 1.900 845 3HG1 VAL 114 3HG1 VAL 114 -10.169 2.724 2.724 846 1HG2 VAL 114 2HG2 VAL 114 -11.990 -1.149 -1.149 847 2HG2 VAL 114 1HG2 VAL 114 -11.308 -0.333 -0.333 848 3HG2 VAL 114 3HG2 VAL 114 -12.807 0.269 0.269 849 H VAL 115 H VAL 115 -9.427 1.352 1.352 850 HA VAL 115 HA VAL 115 -9.639 4.186 4.186 851 HB VAL 115 HB VAL 115 -7.570 3.092 3.092 852 1HG1 VAL 115 1HG2 VAL 115 -7.880 1.233 1.233 853 2HG1 VAL 115 2HG2 VAL 115 -7.837 2.339 2.339 854 3HG1 VAL 115 3HG2 VAL 115 -6.417 2.153 2.153 855 1HG2 VAL 115 1HG1 VAL 115 -7.703 5.439 5.439 856 2HG2 VAL 115 3HG1 VAL 115 -6.333 4.599 4.599 857 3HG2 VAL 115 2HG1 VAL 115 -7.799 4.905 4.905 858 H LYS 116 HN LYS 116 -11.630 4.679 4.679 859 HA LYS 116 HA LYS 116 -12.080 4.789 4.789 860 1HB LYS 116 1HB LYS 116 -14.387 5.381 5.381 861 2HB LYS 116 2HB LYS 116 -13.936 3.821 3.821 862 1HG LYS 116 2HG LYS 116 -13.594 4.838 4.838 863 2HG LYS 116 1HG LYS 116 -13.886 6.463 6.463 864 1HD LYS 116 2HD LYS 116 -16.218 5.763 5.763 865 2HD LYS 116 1HD LYS 116 -15.909 4.194 4.194 866 1HE LYS 116 1HE LYS 116 -15.744 6.947 6.947 867 2HE LYS 116 2HE LYS 116 -17.039 5.760 5.760 868 1HZ LYS 116 1HZ LYS 116 -15.396 4.268 4.268 869 2HZ LYS 116 2HZ LYS 116 -14.225 5.417 5.417 870 3HZ LYS 116 3HZ LYS 116 -15.491 5.676 5.676 871 HHA HEC 117 HHA HEM 117 3.063 2.570 2.570 872 HHB HEC 117 HHB HEM 117 -0.629 -1.935 -1.935 873 HHC HEC 117 HHC HEM 117 -2.294 -3.913 -3.913 874 HHD HEC 117 HHD HEM 117 1.452 0.601 0.601 875 1HMA HEC 117 1HMA HEM 117 1.629 0.340 0.340 876 2HMA HEC 117 2HMA HEM 117 1.403 -1.356 -1.356 877 3HMA HEC 117 3HMA HEM 117 0.004 -0.256 -0.256 878 1HAA HEC 117 1HAA HEM 117 3.815 2.150 2.150 879 2HAA HEC 117 2HAA HEM 117 3.358 1.391 1.391 880 1HBA HEC 117 1HBA HEM 117 1.806 3.675 3.675 881 2HBA HEC 117 2HBA HEM 117 1.521 2.957 2.957 882 1HMB HEC 117 1HMB HEM 117 -2.639 -2.718 -2.718 883 2HMB HEC 117 2HMB HEM 117 -2.533 -4.447 -4.447 884 3HMB HEC 117 3HMB HEM 117 -3.930 -3.469 -3.469 885 HAB HEC 117 HAB HEM 117 -3.477 -4.991 -4.991 886 1HBB HEC 117 1HBB HEM 117 -2.236 -6.459 -6.459 887 2HBB HEC 117 2HBB HEM 117 -3.399 -6.003 -6.003 888 3HBB HEC 117 3HBB HEM 117 -3.961 -6.847 -6.847 889 1HMC HEC 117 1HMC HEM 117 -2.609 -4.065 -4.065 890 2HMC HEC 117 2HMC HEM 117 -3.149 -2.607 -2.607 891 3HMC HEC 117 3HMC HEM 117 -1.852 -3.614 -3.614 892 HAC HEC 117 HAC HEM 117 -0.864 -1.886 -1.886 893 1HBC HEC 117 1HBC HEM 117 1.329 0.128 0.128 894 2HBC HEC 117 2HBC HEM 117 0.913 -1.170 -1.170 895 3HBC HEC 117 3HBC HEM 117 1.708 -1.568 -1.568 896 1HMD HEC 117 1HMD HEM 117 1.719 3.031 3.031 897 2HMD HEC 117 2HMD HEM 117 3.361 2.364 2.364 898 3HMD HEC 117 3HMD HEM 117 3.070 3.948 3.948 899 1HAD HEC 117 1HAD HEM 117 3.000 4.762 4.762 900 2HAD HEC 117 2HAD HEM 117 3.514 4.178 4.178 901 1HBD HEC 117 1HBD HEM 117 5.367 5.075 5.075 902 2HBD HEC 117 2HBD HEM 117 5.076 3.834 3.834 Start of MODEL 20 1 1H GLY 1 1H GLY 1 -6.560 -11.038 -11.038 2 2H GLY 1 2H GLY 1 -6.222 -10.414 -10.414 3 1HA GLY 1 1HA GLY 1 -7.240 -13.132 -13.132 4 2HA GLY 1 2HA GLY 1 -7.020 -12.370 -12.370 5 H ASP 2 HN ASP 2 -9.122 -12.326 -12.326 6 HA ASP 2 HA ASP 2 -11.345 -11.417 -11.417 7 1HB ASP 2 1HB ASP 2 -11.765 -13.580 -13.580 8 2HB ASP 2 2HB ASP 2 -11.214 -13.025 -13.025 9 H ALA 3 H ALA 3 -11.566 -9.366 -9.366 10 HA ALA 3 HA ALA 3 -10.821 -7.571 -7.571 11 1HB ALA 3 2HB ALA 3 -13.269 -7.485 -7.485 12 2HB ALA 3 3HB ALA 3 -12.577 -6.088 -6.088 13 3HB ALA 3 1HB ALA 3 -11.631 -6.916 -6.916 14 H ALA 4 H ALA 4 -13.713 -9.727 -9.727 15 HA ALA 4 HA ALA 4 -14.981 -8.230 -8.230 16 1HB ALA 4 3HB ALA 4 -16.272 -9.727 -9.727 17 2HB ALA 4 2HB ALA 4 -15.415 -11.134 -11.134 18 3HB ALA 4 1HB ALA 4 -16.430 -10.149 -10.149 19 H LYS 5 HN LYS 5 -13.051 -11.302 -11.302 20 HA LYS 5 HA LYS 5 -12.706 -11.517 -11.517 21 1HB LYS 5 1HB LYS 5 -10.953 -12.316 -12.316 22 2HB LYS 5 2HB LYS 5 -10.468 -12.609 -12.609 23 1HG LYS 5 1HG LYS 5 -12.434 -13.960 -13.960 24 2HG LYS 5 2HG LYS 5 -13.068 -13.640 -13.640 25 1HD LYS 5 1HD LYS 5 -10.990 -14.676 -14.676 26 2HD LYS 5 2HD LYS 5 -10.455 -15.096 -15.096 27 1HE LYS 5 1HE LYS 5 -13.029 -16.054 -16.054 28 2HE LYS 5 2HE LYS 5 -11.543 -17.001 -17.001 29 1HZ LYS 5 3HZ LYS 5 -11.798 -16.841 -16.841 30 2HZ LYS 5 2HZ LYS 5 -13.199 -15.988 -15.988 31 3HZ LYS 5 1HZ LYS 5 -13.117 -17.549 -17.549 32 H GLY 6 H GLY 6 -10.878 -9.659 -9.659 33 1HA GLY 6 1HA GLY 6 -8.861 -8.581 -8.581 34 2HA GLY 6 2HA GLY 6 -9.620 -7.751 -7.751 35 H GLU 7 HN GLU 7 -12.137 -7.204 -7.204 36 HA GLU 7 HA GLU 7 -11.924 -4.954 -4.954 37 1HB GLU 7 2HB GLU 7 -13.706 -5.414 -5.414 38 2HB GLU 7 1HB GLU 7 -14.429 -6.599 -6.599 39 1HG GLU 7 2HG GLU 7 -14.007 -3.653 -3.653 40 2HG GLU 7 1HG GLU 7 -15.494 -4.305 -4.305 41 H LYS 8 HN LYS 8 -13.142 -8.270 -8.270 42 HA LYS 8 HA LYS 8 -13.754 -7.789 -7.789 43 1HB LYS 8 1HB LYS 8 -12.911 -10.360 -10.360 44 2HB LYS 8 2HB LYS 8 -13.539 -10.253 -10.253 45 1HG LYS 8 1HG LYS 8 -15.655 -9.327 -9.327 46 2HG LYS 8 2HG LYS 8 -15.053 -9.207 -9.207 47 1HD LYS 8 2HD LYS 8 -16.508 -11.123 -11.123 48 2HD LYS 8 1HD LYS 8 -14.856 -11.658 -11.658 49 1HE LYS 8 2HE LYS 8 -14.532 -12.296 -12.296 50 2HE LYS 8 1HE LYS 8 -16.115 -11.616 -11.616 51 1HZ LYS 8 2HZ LYS 8 -17.121 -13.259 -13.259 52 2HZ LYS 8 1HZ LYS 8 -15.647 -13.883 -13.883 53 3HZ LYS 8 3HZ LYS 8 -16.189 -13.974 -13.974 54 H GLU 9 HN GLU 9 -10.642 -9.070 -9.070 55 HA GLU 9 HA GLU 9 -9.228 -9.316 -9.316 56 1HB GLU 9 1HB GLU 9 -8.596 -8.815 -8.815 57 2HB GLU 9 2HB GLU 9 -7.355 -9.038 -9.038 58 1HG GLU 9 2HG GLU 9 -9.556 -11.092 -11.092 59 2HG GLU 9 1HG GLU 9 -8.006 -11.115 -11.115 60 H PHE 10 H PHE 10 -9.892 -6.484 -6.484 61 HA PHE 10 HA PHE 10 -8.034 -4.739 -4.739 62 1HB PHE 10 1HB PHE 10 -9.698 -4.436 -4.436 63 2HB PHE 10 2HB PHE 10 -10.749 -3.711 -3.711 64 HD1 PHE 10 HD1 PHE 10 -7.517 -3.471 -3.471 65 HD2 PHE 10 HD2 PHE 10 -10.043 -1.607 -1.607 66 HE1 PHE 10 HE1 PHE 10 -6.031 -1.503 -1.503 67 HE2 PHE 10 HE2 PHE 10 -8.532 0.360 0.360 68 HZ PHE 10 HZ PHE 10 -6.532 0.428 0.428 69 H ASN 11 H ASN 11 -10.916 -6.036 -6.036 70 HA ASN 11 HA ASN 11 -11.408 -4.060 -4.060 71 1HB ASN 11 1HB ASN 11 -12.725 -6.188 -6.188 72 2HB ASN 11 2HB ASN 11 -11.636 -7.041 -7.041 73 1HD2 ASN 11 1HD2 ASN 11 -13.091 -5.061 -5.061 74 2HD2 ASN 11 2HD2 ASN 11 -11.461 -5.263 -5.263 75 H LYS 12 HN LYS 12 -8.657 -6.222 -6.222 76 HA LYS 12 HA LYS 12 -7.683 -5.800 -5.800 77 1HB LYS 12 1HB LYS 12 -6.449 -7.190 -7.190 78 2HB LYS 12 2HB LYS 12 -5.800 -7.164 -7.164 79 1HG LYS 12 2HG LYS 12 -7.887 -8.200 -8.200 80 2HG LYS 12 1HG LYS 12 -8.535 -8.309 -8.309 81 1HD LYS 12 1HD LYS 12 -5.945 -9.666 -9.666 82 2HD LYS 12 2HD LYS 12 -7.543 -10.432 -10.432 83 1HE LYS 12 1HE LYS 12 -7.799 -9.959 -9.959 84 2HE LYS 12 2HE LYS 12 -6.135 -9.356 -9.356 85 1HZ LYS 12 2HZ LYS 12 -5.439 -11.524 -11.524 86 2HZ LYS 12 1HZ LYS 12 -6.998 -12.062 -12.062 87 3HZ LYS 12 3HZ LYS 12 -6.258 -11.616 -11.616 88 H CYS 13 H CYS 13 -6.787 -4.925 -4.925 89 HA CYS 13 HA CYS 13 -4.577 -3.313 -3.313 90 1HB CYS 13 1HB CYS 13 -6.714 -2.742 -2.742 91 2HB CYS 13 2HB CYS 13 -5.030 -2.206 -2.206 92 H LYS 14 HN LYS 14 -8.008 -2.376 -2.376 93 HA LYS 14 HA LYS 14 -7.792 0.356 0.356 94 1HB LYS 14 2HB LYS 14 -10.003 0.304 0.304 95 2HB LYS 14 1HB LYS 14 -9.862 -1.012 -1.012 96 1HG LYS 14 1HG LYS 14 -10.876 -2.182 -2.182 97 2HG LYS 14 2HG LYS 14 -9.195 -2.401 -2.401 98 1HD LYS 14 1HD LYS 14 -9.537 -0.438 -0.438 99 2HD LYS 14 2HD LYS 14 -11.205 -0.346 -0.346 100 1HE LYS 14 1HE LYS 14 -11.020 -1.559 -1.559 101 2HE LYS 14 2HE LYS 14 -11.629 -2.627 -2.627 102 1HZ LYS 14 1HZ LYS 14 -8.811 -2.531 -2.531 103 2HZ LYS 14 3HZ LYS 14 -9.925 -3.621 -3.621 104 3HZ LYS 14 2HZ LYS 14 -9.501 -3.592 -3.592 105 H THR 15 H THR 15 -6.679 -2.043 -2.043 106 HA THR 15 HA THR 15 -6.979 -0.586 -0.586 107 HB THR 15 HB THR 15 -4.796 -2.571 -2.571 108 HG1 THR 15 HG1 THR 15 -6.674 -3.592 -3.592 109 1HG2 THR 15 1HG2 THR 15 -5.977 -1.751 -1.751 110 2HG2 THR 15 2HG2 THR 15 -4.862 -3.106 -3.106 111 3HG2 THR 15 3HG2 THR 15 -4.314 -1.447 -1.447 112 H CYS 16 H CYS 16 -4.877 -0.126 -0.126 113 HA CYS 16 HA CYS 16 -3.692 2.242 2.242 114 1HB CYS 16 1HB CYS 16 -2.352 0.330 0.330 115 2HB CYS 16 2HB CYS 16 -1.745 1.946 1.946 116 H HIS 17 HN HIS 17 -4.624 0.739 0.739 117 HA HIS 17 HA HIS 17 -4.266 3.325 3.325 118 1HB HIS 17 2HB HIS 17 -5.303 0.645 0.645 119 2HB HIS 17 1HB HIS 17 -4.978 2.015 2.015 120 HD1 HIS 17 HD1 HIS 17 -2.617 3.014 3.014 121 HD2 HIS 17 HD2 HIS 17 -2.766 -0.698 -0.698 122 HE1 HIS 17 HE1 HIS 17 -0.283 2.070 2.070 123 H SER 18 H SER 18 -6.048 3.600 3.600 124 HA SER 18 HA SER 18 -8.814 3.362 3.362 125 1HB SER 18 1HB SER 18 -7.338 6.029 6.029 126 2HB SER 18 2HB SER 18 -9.081 5.934 5.934 127 HG SER 18 HG SER 18 -7.868 4.608 4.608 128 H ILE 19 H ILE 19 -10.225 4.364 4.364 129 HA ILE 19 HA ILE 19 -9.005 4.562 4.562 130 HB ILE 19 HB ILE 19 -11.317 2.736 2.736 131 1HG1 ILE 19 1HG1 ILE 19 -9.181 1.657 1.657 132 2HG1 ILE 19 2HG1 ILE 19 -10.025 0.901 0.901 133 1HG2 ILE 19 3HG2 ILE 19 -10.138 3.305 3.305 134 2HG2 ILE 19 1HG2 ILE 19 -11.351 2.058 2.058 135 3HG2 ILE 19 2HG2 ILE 19 -11.749 3.761 3.761 136 1HD1 ILE 19 3HD1 ILE 19 -7.653 2.759 2.759 137 2HD1 ILE 19 2HD1 ILE 19 -7.619 0.991 0.991 138 3HD1 ILE 19 1HD1 ILE 19 -8.491 1.866 1.866 139 H ILE 20 H ILE 20 -9.754 6.506 6.506 140 HA ILE 20 HA ILE 20 -12.512 7.359 7.359 141 HB ILE 20 HB ILE 20 -10.688 8.369 8.369 142 1HG1 ILE 20 2HG1 ILE 20 -11.932 10.724 10.724 143 2HG1 ILE 20 1HG1 ILE 20 -13.061 9.454 9.454 144 1HG2 ILE 20 2HG2 ILE 20 -9.037 8.747 8.747 145 2HG2 ILE 20 1HG2 ILE 20 -10.059 10.086 10.086 146 3HG2 ILE 20 3HG2 ILE 20 -9.293 10.138 10.138 147 1HD1 ILE 20 1HD1 ILE 20 -10.965 10.604 10.604 148 2HD1 ILE 20 2HD1 ILE 20 -12.679 11.068 11.068 149 3HD1 ILE 20 3HD1 ILE 20 -12.213 9.407 9.407 150 H ALA 21 H ALA 21 -13.672 8.196 8.196 151 HA ALA 21 HA ALA 21 -12.627 7.939 7.939 152 1HB ALA 21 1HB ALA 21 -15.038 7.691 7.691 153 2HB ALA 21 2HB ALA 21 -15.077 9.442 9.442 154 3HB ALA 21 3HB ALA 21 -14.810 8.821 8.821 155 HA PRO 22 HA PRO 22 -10.496 11.783 11.783 156 1HB PRO 22 1HB PRO 22 -11.283 12.760 12.760 157 2HB PRO 22 2HB PRO 22 -10.111 11.439 11.439 158 1HG PRO 22 2HG PRO 22 -13.073 11.182 11.182 159 2HG PRO 22 1HG PRO 22 -11.720 10.312 10.312 160 1HD PRO 22 1HD PRO 22 -13.109 9.127 9.127 161 2HD PRO 22 2HD PRO 22 -11.329 9.004 9.004 162 H ASP 23 HN ASP 23 -13.989 11.862 11.862 163 HA ASP 23 HA ASP 23 -14.339 14.679 14.679 164 1HB ASP 23 1HB ASP 23 -16.760 14.013 14.013 165 2HB ASP 23 2HB ASP 23 -15.923 13.436 13.436 166 H GLY 24 H GLY 24 -13.501 12.247 12.247 167 1HA GLY 24 1HA GLY 24 -13.179 12.782 12.782 168 2HA GLY 24 2HA GLY 24 -14.550 13.885 13.885 169 H THR 25 H THR 25 -15.993 11.397 11.397 170 HA THR 25 HA THR 25 -17.384 10.520 10.520 171 HB THR 25 HB THR 25 -17.167 9.105 9.105 172 HG1 THR 25 HG1 THR 25 -17.968 11.165 11.165 173 1HG2 THR 25 2HG2 THR 25 -19.239 8.909 8.909 174 2HG2 THR 25 3HG2 THR 25 -19.381 8.183 8.183 175 3HG2 THR 25 1HG2 THR 25 -18.125 7.615 7.615 176 H GLU 26 HN GLU 26 -16.566 9.438 9.438 177 HA GLU 26 HA GLU 26 -14.145 7.934 7.934 178 1HB GLU 26 2HB GLU 26 -16.287 7.723 7.723 179 2HB GLU 26 1HB GLU 26 -14.533 7.533 7.533 180 1HG GLU 26 2HG GLU 26 -14.424 10.048 10.048 181 2HG GLU 26 1HG GLU 26 -16.148 10.095 10.095 182 H ILE 27 H ILE 27 -13.834 5.843 5.843 183 HA ILE 27 HA ILE 27 -16.228 4.070 4.070 184 HB ILE 27 HB ILE 27 -13.408 3.592 3.592 185 1HG1 ILE 27 2HG1 ILE 27 -14.056 5.609 5.609 186 2HG1 ILE 27 1HG1 ILE 27 -14.100 4.255 4.255 187 1HG2 ILE 27 3HG2 ILE 27 -16.048 2.318 2.318 188 2HG2 ILE 27 1HG2 ILE 27 -14.479 1.987 1.987 189 3HG2 ILE 27 2HG2 ILE 27 -14.739 1.579 1.579 190 1HD1 ILE 27 1HD1 ILE 27 -16.580 4.146 4.146 191 2HD1 ILE 27 2HD1 ILE 27 -16.533 5.522 5.522 192 3HD1 ILE 27 3HD1 ILE 27 -16.021 5.730 5.730 193 H VAL 28 H VAL 28 -12.965 4.361 4.361 194 HA VAL 28 HA VAL 28 -13.773 2.536 2.536 195 HB VAL 28 HB VAL 28 -11.125 2.245 2.245 196 1HG1 VAL 28 1HG1 VAL 28 -12.250 0.831 0.831 197 2HG1 VAL 28 2HG1 VAL 28 -10.772 0.381 0.381 198 3HG1 VAL 28 3HG1 VAL 28 -10.852 1.929 1.929 199 1HG2 VAL 28 3HG2 VAL 28 -13.501 0.366 0.366 200 2HG2 VAL 28 1HG2 VAL 28 -12.953 1.159 1.159 201 3HG2 VAL 28 2HG2 VAL 28 -11.924 -0.051 -0.051 202 H LYS 29 HN LYS 29 -13.854 4.077 4.077 203 HA LYS 29 HA LYS 29 -11.691 6.117 6.117 204 1HB LYS 29 2HB LYS 29 -14.107 6.716 6.716 205 2HB LYS 29 1HB LYS 29 -14.242 5.840 5.840 206 1HG LYS 29 2HG LYS 29 -12.309 8.146 8.146 207 2HG LYS 29 1HG LYS 29 -13.887 8.364 8.364 208 1HD LYS 29 1HD LYS 29 -11.554 6.842 6.842 209 2HD LYS 29 2HD LYS 29 -12.084 8.467 8.467 210 1HE LYS 29 2HE LYS 29 -13.720 5.925 5.925 211 2HE LYS 29 1HE LYS 29 -12.896 6.884 6.884 212 1HZ LYS 29 1HZ LYS 29 -14.331 8.721 8.721 213 2HZ LYS 29 2HZ LYS 29 -15.116 7.797 7.797 214 3HZ LYS 29 3HZ LYS 29 -15.199 7.403 7.403 215 H GLY 30 H GLY 30 -10.177 4.408 4.408 216 1HA GLY 30 1HA GLY 30 -10.510 2.526 2.526 217 2HA GLY 30 2HA GLY 30 -9.160 2.619 2.619 218 H ALA 31 H ALA 31 -8.158 2.414 2.414 219 HA ALA 31 HA ALA 31 -8.040 4.949 4.949 220 1HB ALA 31 2HB ALA 31 -6.783 2.227 2.227 221 2HB ALA 31 3HB ALA 31 -6.590 3.629 3.629 222 3HB ALA 31 1HB ALA 31 -8.192 2.905 2.905 223 H LYS 32 HN LYS 32 -7.339 5.768 5.768 224 HA LYS 32 HA LYS 32 -5.290 5.771 5.771 225 1HB LYS 32 2HB LYS 32 -5.481 8.215 8.215 226 2HB LYS 32 1HB LYS 32 -7.017 7.346 7.346 227 1HG LYS 32 1HG LYS 32 -7.400 7.948 7.948 228 2HG LYS 32 2HG LYS 32 -5.830 8.776 8.776 229 1HD LYS 32 2HD LYS 32 -6.607 10.348 10.348 230 2HD LYS 32 1HD LYS 32 -8.146 9.476 9.476 231 1HE LYS 32 2HE LYS 32 -8.433 11.494 11.494 232 2HE LYS 32 1HE LYS 32 -8.660 10.062 10.062 233 1HZ LYS 32 2HZ LYS 32 -6.202 11.667 11.667 234 2HZ LYS 32 3HZ LYS 32 -7.310 11.734 11.734 235 3HZ LYS 32 1HZ LYS 32 -6.433 10.361 10.361 236 H THR 33 H THR 33 -3.869 4.678 4.678 237 HA THR 33 HA THR 33 -1.730 6.451 6.451 238 HB THR 33 HB THR 33 -1.920 3.422 3.422 239 HG1 THR 33 HG1 THR 33 -3.657 4.349 4.349 240 1HG2 THR 33 3HG2 THR 33 -0.284 5.389 5.389 241 2HG2 THR 33 1HG2 THR 33 -0.396 3.642 3.642 242 3HG2 THR 33 2HG2 THR 33 0.361 4.239 4.239 243 H GLY 34 H GLY 34 -2.503 4.383 4.383 244 1HA GLY 34 1HA GLY 34 0.218 4.741 4.741 245 2HA GLY 34 2HA GLY 34 -0.864 3.388 3.388 246 HA PRO 35 HA PRO 35 -1.499 7.210 7.210 247 1HB PRO 35 2HB PRO 35 -0.934 4.962 4.962 248 2HB PRO 35 1HB PRO 35 -0.556 6.697 6.697 249 1HG PRO 35 1HG PRO 35 1.346 4.878 4.878 250 2HG PRO 35 2HG PRO 35 1.290 6.509 6.509 251 1HD PRO 35 2HD PRO 35 0.462 3.896 3.896 252 2HD PRO 35 1HD PRO 35 1.122 5.353 5.353 253 H ASN 36 H ASN 36 -3.214 7.407 7.407 254 HA ASN 36 HA ASN 36 -5.464 5.554 5.554 255 1HB ASN 36 2HB ASN 36 -5.859 8.013 8.013 256 2HB ASN 36 1HB ASN 36 -5.284 8.074 8.074 257 1HD2 ASN 36 2HD2 ASN 36 -9.096 7.109 7.109 258 2HD2 ASN 36 1HD2 ASN 36 -8.071 7.908 7.908 259 H LEU 37 H LEU 37 -5.544 3.808 3.808 260 HA LEU 37 HA LEU 37 -3.571 3.728 3.728 261 1HB LEU 37 2HB LEU 37 -5.372 1.558 1.558 262 2HB LEU 37 1HB LEU 37 -4.124 1.339 1.339 263 HG LEU 37 HG LEU 37 -3.670 2.224 2.224 264 1HD1 LEU 37 1HD1 LEU 37 -3.019 -0.370 -0.370 265 2HD1 LEU 37 2HD1 LEU 37 -2.527 0.020 0.020 266 3HD1 LEU 37 3HD1 LEU 37 -4.241 -0.148 -0.148 267 1HD2 LEU 37 3HD2 LEU 37 -1.704 1.789 1.789 268 2HD2 LEU 37 2HD2 LEU 37 -1.943 3.275 3.275 269 3HD2 LEU 37 1HD2 LEU 37 -1.223 1.853 1.853 270 H TYR 38 H TYR 38 -6.639 5.007 5.007 271 HA TYR 38 HA TYR 38 -7.767 3.707 3.707 272 1HB TYR 38 2HB TYR 38 -8.980 5.207 5.207 273 2HB TYR 38 1HB TYR 38 -8.091 6.595 6.595 274 HD1 TYR 38 HD2 TYR 38 -8.219 6.920 6.920 275 HD2 TYR 38 HD1 TYR 38 -11.149 5.014 5.014 276 HE1 TYR 38 HE2 TYR 38 -9.821 7.063 7.063 277 HE2 TYR 38 HE1 TYR 38 -12.793 5.189 5.189 278 HH TYR 38 HH TYR 38 -12.036 6.690 6.690 279 H GLY 39 H GLY 39 -6.447 3.478 3.478 280 1HA GLY 39 1HA GLY 39 -5.611 4.404 4.404 281 2HA GLY 39 2HA GLY 39 -5.401 5.971 5.971 282 H VAL 40 H VAL 40 -4.116 3.286 3.286 283 HA VAL 40 HA VAL 40 -1.461 4.214 4.214 284 HB VAL 40 HB VAL 40 -2.008 3.030 3.030 285 1HG1 VAL 40 2HG1 VAL 40 -3.503 1.222 1.222 286 2HG1 VAL 40 3HG1 VAL 40 -2.080 0.462 0.462 287 3HG1 VAL 40 1HG1 VAL 40 -2.183 0.606 0.606 288 1HG2 VAL 40 2HG2 VAL 40 0.347 3.114 3.114 289 2HG2 VAL 40 1HG2 VAL 40 0.036 1.682 1.682 290 3HG2 VAL 40 3HG2 VAL 40 0.105 1.524 1.524 291 H VAL 41 H VAL 41 -3.349 1.657 1.657 292 HA VAL 41 HA VAL 41 -1.210 0.429 0.429 293 HB VAL 41 HB VAL 41 -4.147 0.721 0.721 294 1HG1 VAL 41 2HG1 VAL 41 -2.008 -1.176 -1.176 295 2HG1 VAL 41 3HG1 VAL 41 -3.748 -1.303 -1.303 296 3HG1 VAL 41 1HG1 VAL 41 -2.842 0.097 0.097 297 1HG2 VAL 41 2HG2 VAL 41 -3.768 -0.459 -0.459 298 2HG2 VAL 41 1HG2 VAL 41 -4.380 -1.548 -1.548 299 3HG2 VAL 41 3HG2 VAL 41 -2.662 -1.574 -1.574 300 H GLY 42 H GLY 42 0.194 1.426 1.426 301 1HA GLY 42 1HA GLY 42 0.810 2.388 2.388 302 2HA GLY 42 2HA GLY 42 -0.694 3.313 3.313 303 H ARG 43 HN ARG 43 -0.071 3.859 3.859 304 HA ARG 43 HA ARG 43 1.105 6.456 6.456 305 1HB ARG 43 2HB ARG 43 -0.730 6.025 6.025 306 2HB ARG 43 1HB ARG 43 0.444 5.135 5.135 307 1HG ARG 43 1HG ARG 43 0.261 7.201 7.201 308 2HG ARG 43 2HG ARG 43 1.792 7.296 7.296 309 1HD ARG 43 1HD ARG 43 -0.854 8.405 8.405 310 2HD ARG 43 2HD ARG 43 0.252 9.363 9.363 311 HE ARG 43 HE ARG 43 0.517 8.665 8.665 312 1HH1 ARG 43 2HH1 ARG 43 2.294 9.739 9.739 313 2HH1 ARG 43 1HH1 ARG 43 3.837 9.746 9.746 314 1HH2 ARG 43 1HH2 ARG 43 2.465 8.974 8.974 315 2HH2 ARG 43 2HH2 ARG 43 3.950 9.213 9.213 316 H THR 44 H THR 44 3.147 7.161 7.161 317 HA THR 44 HA THR 44 5.300 5.292 5.292 318 HB THR 44 HB THR 44 5.305 8.264 8.264 319 HG1 THR 44 HG1 THR 44 5.476 6.944 6.944 320 1HG2 THR 44 1HG2 THR 44 7.453 6.354 6.354 321 2HG2 THR 44 2HG2 THR 44 7.638 8.112 8.112 322 3HG2 THR 44 3HG2 THR 44 7.362 7.094 7.094 323 H ALA 45 H ALA 45 5.897 4.239 4.239 324 HA ALA 45 HA ALA 45 4.504 4.394 4.394 325 1HB ALA 45 1HB ALA 45 6.057 2.565 2.565 326 2HB ALA 45 2HB ALA 45 7.426 3.650 3.650 327 3HB ALA 45 3HB ALA 45 6.354 3.091 3.091 328 H GLY 46 H GLY 46 4.985 5.213 5.213 329 1HA GLY 46 1HA GLY 46 5.703 6.787 6.787 330 2HA GLY 46 2HA GLY 46 7.156 6.963 6.963 331 H THR 47 H THR 47 4.295 7.674 7.674 332 HA THR 47 HA THR 47 4.379 10.538 10.538 333 HB THR 47 HB THR 47 4.735 11.244 11.244 334 HG1 THR 47 HG1 THR 47 5.040 8.460 8.460 335 1HG2 THR 47 2HG2 THR 47 6.677 11.103 11.103 336 2HG2 THR 47 1HG2 THR 47 7.044 9.488 9.488 337 3HG2 THR 47 3HG2 THR 47 7.103 10.903 10.903 338 H TYR 48 H TYR 48 2.261 8.673 8.673 339 HA TYR 48 HA TYR 48 0.123 9.648 9.648 340 1HB TYR 48 2HB TYR 48 0.018 7.344 7.344 341 2HB TYR 48 1HB TYR 48 -0.155 8.155 8.155 342 HD1 TYR 48 HD1 TYR 48 -1.828 7.421 7.421 343 HD2 TYR 48 HD2 TYR 48 -2.252 9.299 9.299 344 HE1 TYR 48 HE1 TYR 48 -4.177 7.858 7.858 345 HE2 TYR 48 HE2 TYR 48 -4.634 9.696 9.696 346 HH TYR 48 HH TYR 48 -6.214 8.095 8.095 347 HA PRO 49 HA PRO 49 0.401 13.407 13.407 348 1HB PRO 49 1HB PRO 49 -2.154 14.460 14.460 349 2HB PRO 49 2HB PRO 49 -0.995 14.469 14.469 350 1HG PRO 49 1HG PRO 49 -3.187 12.443 12.443 351 2HG PRO 49 2HG PRO 49 -2.841 13.304 13.304 352 1HD PRO 49 1HD PRO 49 -1.928 10.810 10.810 353 2HD PRO 49 2HD PRO 49 -0.835 12.018 12.018 354 H GLU 50 HN GLU 50 -0.134 14.453 14.453 355 HA GLU 50 HA GLU 50 -0.396 14.542 14.542 356 1HB GLU 50 1HB GLU 50 -3.060 13.228 13.228 357 2HB GLU 50 2HB GLU 50 -2.664 14.111 14.111 358 1HG GLU 50 1HG GLU 50 -2.239 16.172 16.172 359 2HG GLU 50 2HG GLU 50 -2.696 15.306 15.306 360 H PHE 51 H PHE 51 1.441 12.766 12.766 361 HA PHE 51 HA PHE 51 0.807 11.247 11.247 362 1HB PHE 51 1HB PHE 51 -0.051 9.692 9.692 363 2HB PHE 51 2HB PHE 51 1.617 9.537 9.537 364 HD1 PHE 51 HD2 PHE 51 -0.748 8.996 8.996 365 HD2 PHE 51 HD1 PHE 51 3.286 8.380 8.380 366 HE1 PHE 51 HE2 PHE 51 -0.257 7.667 7.667 367 HE2 PHE 51 HE1 PHE 51 3.772 7.032 7.032 368 HZ PHE 51 HZ PHE 51 1.983 6.639 6.639 369 H LYS 52 HN LYS 52 2.509 11.363 11.363 370 HA LYS 52 HA LYS 52 5.106 12.239 12.239 371 1HB LYS 52 2HB LYS 52 4.058 12.990 12.990 372 2HB LYS 52 1HB LYS 52 4.256 11.357 11.357 373 1HG LYS 52 2HG LYS 52 6.836 11.751 11.751 374 2HG LYS 52 1HG LYS 52 6.334 13.438 13.438 375 1HD LYS 52 2HD LYS 52 7.018 13.374 13.374 376 2HD LYS 52 1HD LYS 52 5.331 12.917 12.917 377 1HE LYS 52 2HE LYS 52 7.765 11.061 11.061 378 2HE LYS 52 1HE LYS 52 6.853 11.446 11.446 379 1HZ LYS 52 1HZ LYS 52 4.957 10.358 10.358 380 2HZ LYS 52 2HZ LYS 52 5.823 9.985 9.985 381 3HZ LYS 52 3HZ LYS 52 6.243 9.332 9.332 382 H TYR 53 H TYR 53 5.397 10.346 10.346 383 HA TYR 53 HA TYR 53 5.907 7.725 7.725 384 1HB TYR 53 2HB TYR 53 7.071 8.895 8.895 385 2HB TYR 53 1HB TYR 53 6.935 7.209 7.209 386 HD1 TYR 53 HD1 TYR 53 4.926 5.916 5.916 387 HD2 TYR 53 HD2 TYR 53 5.045 10.065 10.065 388 HE1 TYR 53 HE1 TYR 53 3.142 5.512 5.512 389 HE2 TYR 53 HE2 TYR 53 3.121 9.695 9.695 390 HH TYR 53 HH TYR 53 1.990 6.394 6.394 391 H LYS 54 HN LYS 54 8.222 6.832 6.832 392 HA LYS 54 HA LYS 54 10.303 8.267 8.267 393 1HB LYS 54 1HB LYS 54 10.107 5.301 5.301 394 2HB LYS 54 2HB LYS 54 11.136 6.079 6.079 395 1HG LYS 54 1HG LYS 54 8.099 5.943 5.943 396 2HG LYS 54 2HG LYS 54 9.162 4.940 4.940 397 1HD LYS 54 2HD LYS 54 9.966 6.911 6.911 398 2HD LYS 54 1HD LYS 54 8.999 7.995 7.995 399 1HE LYS 54 1HE LYS 54 7.848 5.823 5.823 400 2HE LYS 54 2HE LYS 54 7.910 7.556 7.556 401 1HZ LYS 54 2HZ LYS 54 6.531 7.933 7.933 402 2HZ LYS 54 1HZ LYS 54 6.433 6.302 6.302 403 3HZ LYS 54 3HZ LYS 54 5.796 6.967 6.967 404 H ASP 55 HN ASP 55 12.483 7.965 7.965 405 HA ASP 55 HA ASP 55 13.082 8.803 8.803 406 1HB ASP 55 2HB ASP 55 14.609 9.031 9.031 407 2HB ASP 55 1HB ASP 55 14.807 7.271 7.271 408 H SER 56 H SER 56 12.813 5.360 5.360 409 HA SER 56 HA SER 56 14.388 4.334 4.334 410 1HB SER 56 1HB SER 56 12.231 2.885 2.885 411 2HB SER 56 2HB SER 56 13.681 2.217 2.217 412 HG SER 56 HG SER 56 14.863 3.572 3.572 413 H ILE 57 H ILE 57 10.880 4.411 4.411 414 HA ILE 57 HA ILE 57 10.176 3.308 3.308 415 HB ILE 57 HB ILE 57 9.002 3.256 3.256 416 1HG1 ILE 57 2HG1 ILE 57 7.327 3.923 3.923 417 2HG1 ILE 57 1HG1 ILE 57 8.122 2.369 2.369 418 1HG2 ILE 57 1HG2 ILE 57 8.833 5.596 5.596 419 2HG2 ILE 57 3HG2 ILE 57 7.812 5.895 5.895 420 3HG2 ILE 57 2HG2 ILE 57 7.232 4.891 4.891 421 1HD1 ILE 57 1HD1 ILE 57 6.760 2.100 2.100 422 2HD1 ILE 57 3HD1 ILE 57 5.819 3.529 3.529 423 3HD1 ILE 57 2HD1 ILE 57 5.847 2.087 2.087 424 H VAL 58 H VAL 58 10.515 6.661 6.661 425 HA VAL 58 HA VAL 58 9.477 7.930 7.930 426 HB VAL 58 HB VAL 58 11.509 8.791 8.791 427 1HG1 VAL 58 1HG2 VAL 58 10.280 10.437 10.437 428 2HG1 VAL 58 2HG2 VAL 58 11.123 11.115 11.115 429 3HG1 VAL 58 3HG2 VAL 58 12.010 10.112 10.112 430 1HG2 VAL 58 2HG1 VAL 58 9.075 8.452 8.452 431 2HG2 VAL 58 3HG1 VAL 58 9.648 10.117 10.117 432 3HG2 VAL 58 1HG1 VAL 58 8.629 9.674 9.674 433 H ALA 59 H ALA 59 12.869 6.948 6.948 434 HA ALA 59 HA ALA 59 14.023 7.795 7.795 435 1HB ALA 59 3HB ALA 59 15.334 7.221 7.221 436 2HB ALA 59 1HB ALA 59 14.857 5.516 5.516 437 3HB ALA 59 2HB ALA 59 15.869 6.270 6.270 438 H LEU 60 H LEU 60 12.694 4.599 4.599 439 HA LEU 60 HA LEU 60 13.223 3.243 3.243 440 1HB LEU 60 1HB LEU 60 12.391 2.305 2.305 441 2HB LEU 60 2HB LEU 60 10.792 2.928 2.928 442 HG LEU 60 HG LEU 60 10.762 1.493 1.493 443 1HD1 LEU 60 2HD2 LEU 60 13.329 0.314 0.314 444 2HD1 LEU 60 1HD2 LEU 60 12.345 -0.401 -0.401 445 3HD1 LEU 60 3HD2 LEU 60 13.148 1.142 1.142 446 1HD2 LEU 60 1HD1 LEU 60 9.746 0.781 0.781 447 2HD2 LEU 60 2HD1 LEU 60 10.327 -0.595 -0.595 448 3HD2 LEU 60 3HD1 LEU 60 11.275 -0.011 -0.011 449 H GLY 61 H GLY 61 10.390 5.162 5.162 450 1HA GLY 61 1HA GLY 61 8.791 5.094 5.094 451 2HA GLY 61 2HA GLY 61 8.956 6.460 6.460 452 H ALA 62 H ALA 62 11.278 7.525 7.525 453 HA ALA 62 HA ALA 62 11.262 9.025 9.025 454 1HB ALA 62 3HB ALA 62 12.359 9.708 9.708 455 2HB ALA 62 1HB ALA 62 13.631 8.495 8.495 456 3HB ALA 62 2HB ALA 62 13.444 9.852 9.852 457 H SER 63 H SER 63 12.912 5.952 5.952 458 HA SER 63 HA SER 63 14.479 5.948 5.948 459 1HB SER 63 1HB SER 63 13.608 3.553 3.553 460 2HB SER 63 2HB SER 63 14.985 3.673 3.673 461 HG SER 63 HG SER 63 14.630 5.207 5.207 462 H GLY 64 H GLY 64 11.185 6.017 6.017 463 1HA GLY 64 1HA GLY 64 9.804 5.865 5.865 464 2HA GLY 64 2HA GLY 64 10.938 4.788 4.788 465 H PHE 65 H PHE 65 9.962 4.227 4.227 466 HA PHE 65 HA PHE 65 8.938 1.620 1.620 467 1HB PHE 65 1HB PHE 65 10.351 1.814 1.814 468 2HB PHE 65 2HB PHE 65 9.164 2.875 2.875 469 HD1 PHE 65 HD2 PHE 65 8.792 -0.438 -0.438 470 HD2 PHE 65 HD1 PHE 65 8.397 1.702 1.702 471 HE1 PHE 65 HE2 PHE 65 7.548 -2.317 -2.317 472 HE2 PHE 65 HE1 PHE 65 7.113 -0.174 -0.174 473 HZ PHE 65 HZ PHE 65 6.637 -2.174 -2.174 474 H ALA 66 H ALA 66 7.208 2.396 2.396 475 HA ALA 66 HA ALA 66 4.792 3.545 3.545 476 1HB ALA 66 1HB ALA 66 5.242 2.060 2.060 477 2HB ALA 66 3HB ALA 66 3.769 2.937 2.937 478 3HB ALA 66 2HB ALA 66 5.290 3.823 3.823 479 H TRP 67 H TRP 67 3.523 2.392 2.392 480 HA TRP 67 HA TRP 67 3.973 -0.346 -0.346 481 1HB TRP 67 2HB TRP 67 1.737 1.592 1.592 482 2HB TRP 67 1HB TRP 67 1.560 -0.108 -0.108 483 HD1 TRP 67 HD1 TRP 67 2.665 2.964 2.964 484 HE1 TRP 67 HE1 TRP 67 3.861 2.477 2.477 485 HE3 TRP 67 HE3 TRP 67 3.540 -2.053 -2.053 486 HZ2 TRP 67 HZ2 TRP 67 5.213 0.291 0.291 487 HZ3 TRP 67 HZ3 TRP 67 4.750 -3.306 -3.306 488 HH2 TRP 67 HH2 TRP 67 5.703 -2.110 -2.110 489 H THR 68 H THR 68 3.482 -2.105 -2.105 490 HA THR 68 HA THR 68 1.197 -2.122 -2.122 491 HB THR 68 HB THR 68 2.126 -4.157 -4.157 492 HG1 THR 68 HG1 THR 68 4.423 -4.073 -4.073 493 1HG2 THR 68 1HG2 THR 68 3.095 -2.059 -2.059 494 2HG2 THR 68 3HG2 THR 68 4.400 -2.163 -2.163 495 3HG2 THR 68 2HG2 THR 68 4.244 -3.414 -3.414 496 H GLU 69 HN GLU 69 -0.175 -4.070 -4.070 497 HA GLU 69 HA GLU 69 -1.267 -4.715 -4.715 498 1HB GLU 69 1HB GLU 69 -1.183 -6.468 -6.468 499 2HB GLU 69 2HB GLU 69 -2.321 -6.597 -6.597 500 1HG GLU 69 2HG GLU 69 -2.730 -4.041 -4.041 501 2HG GLU 69 1HG GLU 69 -2.082 -4.441 -4.441 502 H GLU 70 HN GLU 70 1.130 -6.282 -6.282 503 HA GLU 70 HA GLU 70 1.556 -8.680 -8.680 504 1HB GLU 70 2HB GLU 70 3.506 -7.190 -7.190 505 2HB GLU 70 1HB GLU 70 3.639 -8.869 -8.869 506 1HG GLU 70 1HG GLU 70 1.461 -9.378 -9.378 507 2HG GLU 70 2HG GLU 70 1.409 -7.724 -7.724 508 H ASP 71 HN ASP 71 3.366 -5.550 -5.550 509 HA ASP 71 HA ASP 71 5.201 -6.278 -6.278 510 1HB ASP 71 1HB ASP 71 4.205 -3.594 -3.594 511 2HB ASP 71 2HB ASP 71 5.438 -3.784 -3.784 512 H ILE 72 H ILE 72 2.023 -4.552 -4.552 513 HA ILE 72 HA ILE 72 2.117 -4.092 -4.092 514 HB ILE 72 HB ILE 72 -0.239 -4.589 -4.589 515 1HG1 ILE 72 2HG1 ILE 72 0.647 -1.954 -1.954 516 2HG1 ILE 72 1HG1 ILE 72 1.296 -2.514 -2.514 517 1HG2 ILE 72 2HG2 ILE 72 -0.218 -3.622 -3.622 518 2HG2 ILE 72 1HG2 ILE 72 -1.628 -3.546 -3.546 519 3HG2 ILE 72 3HG2 ILE 72 -0.974 -5.108 -5.108 520 1HD1 ILE 72 2HD1 ILE 72 -0.963 -2.676 -2.676 521 2HD1 ILE 72 3HD1 ILE 72 -1.647 -1.995 -1.995 522 3HD1 ILE 72 1HD1 ILE 72 -0.543 -1.031 -1.031 523 H ALA 73 H ALA 73 0.684 -6.800 -6.800 524 HA ALA 73 HA ALA 73 -0.177 -8.377 -8.377 525 1HB ALA 73 2HB ALA 73 -0.761 -8.787 -8.787 526 2HB ALA 73 1HB ALA 73 0.908 -9.280 -9.280 527 3HB ALA 73 3HB ALA 73 -0.089 -10.253 -10.253 528 H THR 74 H THR 74 3.090 -8.169 -8.169 529 HA THR 74 HA THR 74 4.159 -10.347 -10.347 530 HB THR 74 HB THR 74 5.629 -8.069 -8.069 531 HG1 THR 74 HG1 THR 74 4.297 -9.210 -9.210 532 1HG2 THR 74 1HG2 THR 74 6.509 -10.888 -10.888 533 2HG2 THR 74 3HG2 THR 74 7.476 -9.703 -9.703 534 3HG2 THR 74 2HG2 THR 74 7.047 -9.395 -9.395 535 H TYR 75 H TYR 75 4.557 -6.784 -6.784 536 HA TYR 75 HA TYR 75 6.139 -6.523 -6.523 537 1HB TYR 75 2HB TYR 75 5.703 -4.657 -4.657 538 2HB TYR 75 1HB TYR 75 3.965 -4.770 -4.770 539 HD1 TYR 75 HD1 TYR 75 7.078 -4.030 -4.030 540 HD2 TYR 75 HD2 TYR 75 2.800 -3.605 -3.605 541 HE1 TYR 75 HE1 TYR 75 7.143 -2.468 -2.468 542 HE2 TYR 75 HE2 TYR 75 2.882 -2.046 -2.046 543 HH TYR 75 HH TYR 75 4.182 -1.171 -1.171 544 H VAL 76 H VAL 76 2.528 -6.755 -6.755 545 HA VAL 76 HA VAL 76 2.300 -6.358 -6.358 546 HB VAL 76 HB VAL 76 0.312 -7.845 -7.845 547 1HG1 VAL 76 1HG1 VAL 76 0.112 -5.433 -5.433 548 2HG1 VAL 76 3HG1 VAL 76 0.488 -5.676 -5.676 549 3HG1 VAL 76 2HG1 VAL 76 -1.012 -6.331 -6.331 550 1HG2 VAL 76 2HG2 VAL 76 1.010 -9.408 -9.408 551 2HG2 VAL 76 3HG2 VAL 76 -0.588 -8.698 -8.698 552 3HG2 VAL 76 1HG2 VAL 76 0.779 -8.086 -8.086 553 H LYS 77 HN LYS 77 3.418 -9.281 -9.281 554 HA LYS 77 HA LYS 77 3.230 -10.949 -10.949 555 1HB LYS 77 1HB LYS 77 4.921 -11.440 -11.440 556 2HB LYS 77 2HB LYS 77 4.315 -12.617 -12.617 557 1HG LYS 77 2HG LYS 77 1.938 -11.851 -11.851 558 2HG LYS 77 1HG LYS 77 2.761 -11.092 -11.092 559 1HD LYS 77 2HD LYS 77 2.871 -14.054 -14.054 560 2HD LYS 77 1HD LYS 77 1.930 -13.326 -13.326 561 1HE LYS 77 2HE LYS 77 4.064 -12.519 -12.519 562 2HE LYS 77 1HE LYS 77 4.981 -13.355 -13.355 563 1HZ LYS 77 2HZ LYS 77 4.012 -15.403 -15.403 564 2HZ LYS 77 1HZ LYS 77 3.168 -14.632 -14.632 565 3HZ LYS 77 3HZ LYS 77 4.815 -14.663 -14.663 566 H ASP 78 HN ASP 78 5.550 -8.616 -8.616 567 HA ASP 78 HA ASP 78 7.560 -9.393 -9.393 568 1HB ASP 78 1HB ASP 78 8.025 -9.429 -9.429 569 2HB ASP 78 2HB ASP 78 9.322 -9.323 -9.323 570 HA PRO 79 HA PRO 79 7.239 -4.787 -4.787 571 1HB PRO 79 2HB PRO 79 6.710 -3.987 -3.987 572 2HB PRO 79 1HB PRO 79 5.437 -4.370 -4.370 573 1HG PRO 79 1HG PRO 79 6.679 -6.215 -6.215 574 2HG PRO 79 2HG PRO 79 4.944 -5.886 -5.886 575 1HD PRO 79 1HD PRO 79 6.053 -8.074 -8.074 576 2HD PRO 79 2HD PRO 79 4.967 -7.057 -7.057 577 H GLY 80 H GLY 80 8.956 -3.434 -3.434 578 1HA GLY 80 1HA GLY 80 11.050 -2.812 -2.812 579 2HA GLY 80 2HA GLY 80 10.967 -4.102 -4.102 580 H ALA 81 H ALA 81 10.992 -6.400 -6.400 581 HA ALA 81 HA ALA 81 13.530 -6.874 -6.874 582 1HB ALA 81 3HB ALA 81 10.998 -8.536 -8.536 583 2HB ALA 81 1HB ALA 81 12.604 -9.121 -9.121 584 3HB ALA 81 2HB ALA 81 12.306 -8.622 -8.622 585 H PHE 82 H PHE 82 10.342 -6.608 -6.608 586 HA PHE 82 HA PHE 82 11.047 -6.918 -6.918 587 1HB PHE 82 1HB PHE 82 8.780 -6.578 -6.578 588 2HB PHE 82 2HB PHE 82 9.144 -4.915 -4.915 589 HD1 PHE 82 HD2 PHE 82 9.318 -3.199 -3.199 590 HD2 PHE 82 HD1 PHE 82 8.348 -7.307 -7.307 591 HE1 PHE 82 HE2 PHE 82 8.680 -2.548 -2.548 592 HE2 PHE 82 HE1 PHE 82 7.611 -6.619 -6.619 593 HZ PHE 82 HZ PHE 82 7.818 -4.258 -4.258 594 H LEU 83 H LEU 83 11.159 -3.845 -3.845 595 HA LEU 83 HA LEU 83 12.141 -2.242 -2.242 596 1HB LEU 83 2HB LEU 83 12.127 -1.882 -1.882 597 2HB LEU 83 1HB LEU 83 12.758 -0.754 -0.754 598 HG LEU 83 HG LEU 83 10.243 -1.187 -1.187 599 1HD1 LEU 83 3HD2 LEU 83 10.042 -1.065 -1.065 600 2HD1 LEU 83 1HD2 LEU 83 8.699 -0.856 -0.856 601 3HD1 LEU 83 2HD2 LEU 83 9.534 -2.426 -2.426 602 1HD2 LEU 83 1HD1 LEU 83 11.140 0.958 0.958 603 2HD2 LEU 83 3HD1 LEU 83 11.390 0.986 0.986 604 3HD2 LEU 83 2HD1 LEU 83 9.748 1.066 1.066 605 H LYS 84 HN LYS 84 13.771 -3.892 -3.892 606 HA LYS 84 HA LYS 84 16.371 -2.960 -2.960 607 1HB LYS 84 2HB LYS 84 15.417 -5.648 -5.648 608 2HB LYS 84 1HB LYS 84 17.089 -5.084 -5.084 609 1HG LYS 84 1HG LYS 84 16.503 -3.226 -3.226 610 2HG LYS 84 2HG LYS 84 14.763 -3.536 -3.536 611 1HD LYS 84 2HD LYS 84 15.133 -5.819 -5.819 612 2HD LYS 84 1HD LYS 84 16.808 -5.352 -5.352 613 1HE LYS 84 2HE LYS 84 14.267 -4.163 -4.163 614 2HE LYS 84 1HE LYS 84 15.533 -5.074 -5.074 615 1HZ LYS 84 3HZ LYS 84 17.033 -3.199 -3.199 616 2HZ LYS 84 2HZ LYS 84 15.721 -2.396 -2.396 617 3HZ LYS 84 1HZ LYS 84 15.796 -2.791 -2.791 618 H GLU 85 HN GLU 85 14.681 -5.809 -5.809 619 HA GLU 85 HA GLU 85 16.768 -6.697 -6.697 620 1HB GLU 85 1HB GLU 85 14.786 -8.037 -8.037 621 2HB GLU 85 2HB GLU 85 13.744 -6.981 -6.981 622 1HG GLU 85 1HG GLU 85 15.115 -7.632 -7.632 623 2HG GLU 85 2HG GLU 85 15.945 -8.815 -8.815 624 H LYS 86 HN LYS 86 13.762 -4.881 -4.881 625 HA LYS 86 HA LYS 86 14.591 -4.491 -4.491 626 1HB LYS 86 2HB LYS 86 12.724 -2.874 -2.874 627 2HB LYS 86 1HB LYS 86 12.777 -2.767 -2.767 628 1HG LYS 86 2HG LYS 86 12.258 -5.423 -5.423 629 2HG LYS 86 1HG LYS 86 11.003 -4.269 -4.269 630 1HD LYS 86 1HD LYS 86 11.743 -4.388 -4.388 631 2HD LYS 86 2HD LYS 86 12.812 -5.718 -5.718 632 1HE LYS 86 1HE LYS 86 9.770 -5.628 -5.628 633 2HE LYS 86 2HE LYS 86 10.779 -6.664 -6.664 634 1HZ LYS 86 1HZ LYS 86 11.588 -7.706 -7.706 635 2HZ LYS 86 2HZ LYS 86 10.552 -6.775 -6.775 636 3HZ LYS 86 3HZ LYS 86 9.959 -7.869 -7.869 637 H LEU 87 H LEU 87 15.171 -2.367 -2.367 638 HA LEU 87 HA LEU 87 16.413 -0.328 -0.328 639 1HB LEU 87 2HB LEU 87 14.965 0.031 0.031 640 2HB LEU 87 1HB LEU 87 16.348 -0.562 -0.562 641 HG LEU 87 HG LEU 87 17.704 1.348 1.348 642 1HD1 LEU 87 3HD2 LEU 87 15.099 2.216 2.216 643 2HD1 LEU 87 2HD2 LEU 87 16.507 3.267 3.267 644 3HD1 LEU 87 1HD2 LEU 87 16.640 1.865 1.865 645 1HD2 LEU 87 1HD1 LEU 87 16.456 1.510 1.510 646 2HD2 LEU 87 3HD1 LEU 87 16.534 3.080 3.080 647 3HD2 LEU 87 2HD1 LEU 87 15.035 2.129 2.129 648 H ASP 88 HN ASP 88 17.448 -3.307 -3.307 649 HA ASP 88 HA ASP 88 19.384 -4.262 -4.262 650 1HB ASP 88 1HB ASP 88 19.748 -3.829 -3.829 651 2HB ASP 88 2HB ASP 88 20.464 -2.254 -2.254 652 H ASP 89 HN ASP 89 18.684 -2.833 -2.833 653 HA ASP 89 HA ASP 89 21.125 -1.489 -1.489 654 1HB ASP 89 1HB ASP 89 19.751 0.266 0.266 655 2HB ASP 89 2HB ASP 89 18.340 -0.277 -0.277 656 H LYS 90 HN LYS 90 21.069 -1.197 -1.197 657 HA LYS 90 HA LYS 90 19.703 -3.381 -3.381 658 1HB LYS 90 2HB LYS 90 22.188 -3.209 -3.209 659 2HB LYS 90 1HB LYS 90 22.049 -1.561 -1.561 660 1HG LYS 90 2HG LYS 90 20.938 -2.452 -2.452 661 2HG LYS 90 1HG LYS 90 20.953 -4.072 -4.072 662 1HD LYS 90 1HD LYS 90 22.779 -3.848 -3.848 663 2HD LYS 90 2HD LYS 90 23.397 -4.107 -4.107 664 1HE LYS 90 2HE LYS 90 24.704 -2.422 -2.422 665 2HE LYS 90 1HE LYS 90 24.029 -1.758 -1.758 666 1HZ LYS 90 2HZ LYS 90 22.892 -1.428 -1.428 667 2HZ LYS 90 3HZ LYS 90 23.752 -0.292 -0.292 668 3HZ LYS 90 1HZ LYS 90 22.280 -0.781 -0.781 669 H LYS 91 HN LYS 91 20.250 0.170 0.170 670 HA LYS 91 HA LYS 91 18.663 0.711 0.711 671 1HB LYS 91 1HB LYS 91 19.949 2.571 2.571 672 2HB LYS 91 2HB LYS 91 19.241 3.045 3.045 673 1HG LYS 91 2HG LYS 91 20.900 1.640 1.640 674 2HG LYS 91 1HG LYS 91 21.662 1.222 1.222 675 1HD LYS 91 2HD LYS 91 22.064 3.632 3.632 676 2HD LYS 91 1HD LYS 91 21.380 4.051 4.051 677 1HE LYS 91 2HE LYS 91 23.844 2.294 2.294 678 2HE LYS 91 1HE LYS 91 23.869 4.000 4.000 679 1HZ LYS 91 1HZ LYS 91 22.712 3.415 3.415 680 2HZ LYS 91 3HZ LYS 91 22.704 1.821 1.821 681 3HZ LYS 91 2HZ LYS 91 24.131 2.589 2.589 682 H ALA 92 H ALA 92 17.155 -0.684 -0.684 683 HA ALA 92 HA ALA 92 15.351 1.399 1.399 684 1HB ALA 92 3HB ALA 92 16.449 -0.149 -0.149 685 2HB ALA 92 1HB ALA 92 15.559 -1.475 -1.475 686 3HB ALA 92 2HB ALA 92 14.679 -0.163 -0.163 687 H LYS 93 HN LYS 93 13.634 1.716 1.716 688 HA LYS 93 HA LYS 93 12.423 -0.654 -0.654 689 1HB LYS 93 1HB LYS 93 12.045 0.711 0.711 690 2HB LYS 93 2HB LYS 93 13.765 0.697 0.697 691 1HG LYS 93 1HG LYS 93 13.649 2.914 2.914 692 2HG LYS 93 2HG LYS 93 11.900 2.983 2.983 693 1HD LYS 93 1HD LYS 93 13.968 2.908 2.908 694 2HD LYS 93 2HD LYS 93 13.019 4.303 4.303 695 1HE LYS 93 2HE LYS 93 12.005 1.803 1.803 696 2HE LYS 93 1HE LYS 93 12.037 3.460 3.460 697 1HZ LYS 93 1HZ LYS 93 10.442 4.040 4.040 698 2HZ LYS 93 3HZ LYS 93 10.397 2.480 2.480 699 3HZ LYS 93 2HZ LYS 93 9.866 2.841 2.841 700 H THR 94 H THR 94 10.236 0.244 0.244 701 HA THR 94 HA THR 94 8.677 2.069 2.069 702 HB THR 94 HB THR 94 8.390 0.175 0.175 703 HG1 THR 94 HG1 THR 94 6.173 -0.212 -0.212 704 1HG2 THR 94 1HG2 THR 94 9.167 -1.670 -1.670 705 2HG2 THR 94 3HG2 THR 94 7.665 -1.522 -1.522 706 3HG2 THR 94 2HG2 THR 94 7.606 -2.022 -2.022 707 H GLY 95 H GLY 95 6.841 2.665 2.665 708 1HA GLY 95 1HA GLY 95 7.039 2.065 2.065 709 2HA GLY 95 2HA GLY 95 5.750 2.952 2.952 710 H MET 96 H MET 96 5.666 0.300 0.300 711 HA MET 96 HA MET 96 3.392 -0.727 -0.727 712 1HB MET 96 1HB MET 96 4.001 -0.618 -0.618 713 2HB MET 96 2HB MET 96 5.079 -1.983 -1.983 714 1HG MET 96 1HG MET 96 3.341 -3.459 -3.459 715 2HG MET 96 2HG MET 96 2.247 -2.236 -2.236 716 1HE MET 96 1HE MET 96 3.073 -4.524 -4.524 717 2HE MET 96 3HE MET 96 1.385 -4.614 -4.614 718 3HE MET 96 2HE MET 96 1.738 -4.123 -4.123 719 H ALA 97 H ALA 97 4.283 -1.198 -1.198 720 HA ALA 97 HA ALA 97 5.730 -3.688 -3.688 721 1HB ALA 97 1HB ALA 97 5.793 -1.842 -1.842 722 2HB ALA 97 2HB ALA 97 4.051 -2.028 -2.028 723 3HB ALA 97 3HB ALA 97 5.176 -3.331 -3.331 724 H PHE 98 H PHE 98 4.005 -4.531 -4.531 725 HA PHE 98 HA PHE 98 2.329 -6.485 -6.485 726 1HB PHE 98 1HB PHE 98 0.738 -4.647 -4.647 727 2HB PHE 98 2HB PHE 98 1.105 -4.200 -4.200 728 HD1 PHE 98 HD2 PHE 98 0.177 -5.394 -5.394 729 HD2 PHE 98 HD1 PHE 98 -0.721 -6.619 -6.619 730 HE1 PHE 98 HE2 PHE 98 -1.672 -6.803 -6.803 731 HE2 PHE 98 HE1 PHE 98 -2.601 -7.996 -7.996 732 HZ PHE 98 HZ PHE 98 -3.090 -8.085 -8.085 733 H LYS 99 HN LYS 99 2.330 -8.256 -8.256 734 HA LYS 99 HA LYS 99 2.949 -7.961 -7.961 735 1HB LYS 99 2HB LYS 99 3.685 -10.456 -10.456 736 2HB LYS 99 1HB LYS 99 4.266 -9.861 -9.861 737 1HG LYS 99 1HG LYS 99 5.380 -7.963 -7.963 738 2HG LYS 99 2HG LYS 99 5.061 -8.959 -8.959 739 1HD LYS 99 2HD LYS 99 6.625 -9.878 -9.878 740 2HD LYS 99 1HD LYS 99 7.357 -9.283 -9.283 741 1HE LYS 99 1HE LYS 99 6.296 -11.173 -11.173 742 2HE LYS 99 2HE LYS 99 5.590 -11.764 -11.764 743 1HZ LYS 99 3HZ LYS 99 7.778 -12.036 -12.036 744 2HZ LYS 99 1HZ LYS 99 8.456 -11.497 -11.497 745 3HZ LYS 99 2HZ LYS 99 7.593 -12.901 -12.901 746 H LEU 100 H LEU 100 1.827 -9.628 -9.628 747 HA LEU 100 HA LEU 100 -0.042 -11.390 -11.390 748 1HB LEU 100 2HB LEU 100 -1.311 -9.294 -9.294 749 2HB LEU 100 1HB LEU 100 -0.920 -9.326 -9.326 750 HG LEU 100 HG LEU 100 -2.152 -11.510 -11.510 751 1HD1 LEU 100 2HD2 LEU 100 -2.897 -10.959 -10.959 752 2HD1 LEU 100 1HD2 LEU 100 -3.676 -12.161 -12.161 753 3HD1 LEU 100 3HD2 LEU 100 -1.990 -12.361 -12.361 754 1HD2 LEU 100 1HD1 LEU 100 -3.236 -9.372 -9.372 755 2HD2 LEU 100 2HD1 LEU 100 -4.393 -10.513 -10.513 756 3HD2 LEU 100 3HD1 LEU 100 -3.741 -9.190 -9.190 757 H ALA 101 H ALA 101 0.812 -13.244 -13.244 758 HA ALA 101 HA ALA 101 1.921 -13.444 -13.444 759 1HB ALA 101 2HB ALA 101 2.936 -14.585 -14.585 760 2HB ALA 101 1HB ALA 101 1.467 -15.567 -15.567 761 3HB ALA 101 3HB ALA 101 2.460 -15.729 -15.729 762 H LYS 102 HN LYS 102 -0.693 -12.635 -12.635 763 HA LYS 102 HA LYS 102 -1.834 -14.487 -14.487 764 1HB LYS 102 1HB LYS 102 -3.924 -15.102 -15.102 765 2HB LYS 102 2HB LYS 102 -2.501 -15.844 -15.844 766 1HG LYS 102 2HG LYS 102 -2.482 -14.136 -14.136 767 2HG LYS 102 1HG LYS 102 -3.869 -13.326 -13.326 768 1HD LYS 102 2HD LYS 102 -4.657 -14.639 -14.639 769 2HD LYS 102 1HD LYS 102 -5.256 -15.355 -15.355 770 1HE LYS 102 1HE LYS 102 -3.535 -17.125 -17.125 771 2HE LYS 102 2HE LYS 102 -2.797 -16.341 -16.341 772 1HZ LYS 102 1HZ LYS 102 -5.505 -17.468 -17.468 773 2HZ LYS 102 2HZ LYS 102 -4.198 -18.158 -18.158 774 3HZ LYS 102 3HZ LYS 102 -4.821 -16.751 -16.751 775 H GLY 103 H GLY 103 -4.386 -13.630 -13.630 776 1HA GLY 103 1HA GLY 103 -5.790 -11.857 -11.857 777 2HA GLY 103 2HA GLY 103 -4.765 -10.835 -10.835 778 H GLY 104 H GLY 104 -2.417 -10.740 -10.740 779 1HA GLY 104 1HA GLY 104 -1.925 -8.863 -8.863 780 2HA GLY 104 2HA GLY 104 -1.216 -10.402 -10.402 781 H GLU 105 HN GLU 105 -2.708 -11.695 -11.695 782 HA GLU 105 HA GLU 105 -3.009 -10.077 -10.077 783 1HB GLU 105 2HB GLU 105 -3.938 -12.083 -12.083 784 2HB GLU 105 1HB GLU 105 -2.443 -12.399 -12.399 785 1HG GLU 105 1HG GLU 105 -3.801 -13.363 -13.363 786 2HG GLU 105 2HG GLU 105 -5.263 -13.107 -13.107 787 H ASP 106 HN ASP 106 -5.444 -11.282 -11.282 788 HA ASP 106 HA ASP 106 -7.762 -10.460 -10.460 789 1HB ASP 106 2HB ASP 106 -7.450 -10.967 -10.967 790 2HB ASP 106 1HB ASP 106 -8.949 -10.901 -10.901 791 H VAL 107 H VAL 107 -5.910 -9.144 -9.144 792 HA VAL 107 HA VAL 107 -7.400 -6.730 -6.730 793 HB VAL 107 HB VAL 107 -4.520 -7.429 -7.429 794 1HG1 VAL 107 3HG2 VAL 107 -6.281 -5.057 -5.057 795 2HG1 VAL 107 1HG2 VAL 107 -4.852 -5.568 -5.568 796 3HG1 VAL 107 2HG2 VAL 107 -4.674 -5.011 -5.011 797 1HG2 VAL 107 3HG1 VAL 107 -6.325 -8.817 -8.817 798 2HG2 VAL 107 2HG1 VAL 107 -5.430 -7.792 -7.792 799 3HG2 VAL 107 1HG1 VAL 107 -7.047 -7.306 -7.306 800 H ALA 108 H ALA 108 -4.481 -7.472 -7.472 801 HA ALA 108 HA ALA 108 -4.144 -4.883 -4.883 802 1HB ALA 108 2HB ALA 108 -2.459 -6.652 -6.652 803 2HB ALA 108 3HB ALA 108 -3.535 -7.574 -7.574 804 3HB ALA 108 1HB ALA 108 -2.923 -5.985 -5.985 805 H ALA 109 H ALA 109 -6.124 -7.654 -7.654 806 HA ALA 109 HA ALA 109 -7.165 -6.303 -6.303 807 1HB ALA 109 3HB ALA 109 -8.498 -8.449 -8.449 808 2HB ALA 109 2HB ALA 109 -8.999 -7.942 -7.942 809 3HB ALA 109 1HB ALA 109 -7.416 -8.700 -8.700 810 H TYR 110 H TYR 110 -8.373 -6.392 -6.392 811 HA TYR 110 HA TYR 110 -10.694 -4.801 -4.801 812 1HB TYR 110 2HB TYR 110 -10.476 -5.927 -5.927 813 2HB TYR 110 1HB TYR 110 -8.893 -5.256 -5.256 814 HD1 TYR 110 HD2 TYR 110 -12.455 -4.164 -4.164 815 HD2 TYR 110 HD1 TYR 110 -8.707 -3.445 -3.445 816 HE1 TYR 110 HE2 TYR 110 -13.519 -2.384 -2.384 817 HE2 TYR 110 HE1 TYR 110 -9.769 -1.666 -1.666 818 HH TYR 110 HH TYR 110 -11.739 -0.618 -0.618 819 H LEU 111 H LEU 111 -7.371 -3.761 -3.761 820 HA LEU 111 HA LEU 111 -7.931 -0.991 -0.991 821 1HB LEU 111 1HB LEU 111 -5.345 -2.502 -2.502 822 2HB LEU 111 2HB LEU 111 -5.440 -0.744 -0.744 823 HG LEU 111 HG LEU 111 -6.513 -2.646 -2.646 824 1HD1 LEU 111 2HD1 LEU 111 -3.789 -1.305 -1.305 825 2HD1 LEU 111 1HD1 LEU 111 -4.442 -2.213 -2.213 826 3HD1 LEU 111 3HD1 LEU 111 -4.112 -3.048 -3.048 827 1HD2 LEU 111 3HD2 LEU 111 -5.840 0.327 0.327 828 2HD2 LEU 111 1HD2 LEU 111 -7.449 -0.397 -0.397 829 3HD2 LEU 111 2HD2 LEU 111 -6.218 -0.613 -0.613 830 H ALA 112 H ALA 112 -6.842 -3.153 -3.153 831 HA ALA 112 HA ALA 112 -6.564 -1.211 -1.211 832 1HB ALA 112 2HB ALA 112 -5.751 -3.507 -3.507 833 2HB ALA 112 3HB ALA 112 -7.419 -4.109 -4.109 834 3HB ALA 112 1HB ALA 112 -6.761 -3.058 -3.058 835 H SER 113 H SER 113 -9.448 -2.967 -2.967 836 HA SER 113 HA SER 113 -11.250 -1.917 -1.917 837 1HB SER 113 1HB SER 113 -11.933 -2.934 -2.934 838 2HB SER 113 2HB SER 113 -13.002 -2.809 -2.809 839 HG SER 113 HG SER 113 -10.673 -4.455 -4.455 840 H VAL 114 H VAL 114 -10.268 -0.932 -0.932 841 HA VAL 114 HA VAL 114 -12.158 1.171 1.171 842 HB VAL 114 HB VAL 114 -9.511 0.450 0.450 843 1HG1 VAL 114 3HG1 VAL 114 -11.358 2.671 2.671 844 2HG1 VAL 114 2HG1 VAL 114 -9.975 2.000 2.000 845 3HG1 VAL 114 1HG1 VAL 114 -9.690 2.875 2.875 846 1HG2 VAL 114 2HG2 VAL 114 -11.563 -1.002 -1.002 847 2HG2 VAL 114 1HG2 VAL 114 -10.896 -0.243 -0.243 848 3HG2 VAL 114 3HG2 VAL 114 -12.355 0.419 0.419 849 H VAL 115 H VAL 115 -8.868 1.225 1.225 850 HA VAL 115 HA VAL 115 -8.747 4.084 4.084 851 HB VAL 115 HB VAL 115 -6.784 2.806 2.806 852 1HG1 VAL 115 1HG2 VAL 115 -7.487 1.759 1.759 853 2HG1 VAL 115 2HG2 VAL 115 -5.907 1.659 1.659 854 3HG1 VAL 115 3HG2 VAL 115 -7.302 0.870 0.870 855 1HG2 VAL 115 2HG1 VAL 115 -6.849 5.108 5.108 856 2HG2 VAL 115 1HG1 VAL 115 -5.540 4.070 4.070 857 3HG2 VAL 115 3HG1 VAL 115 -6.989 4.324 4.324 858 H LYS 116 HN LYS 116 -10.741 4.767 4.767 859 HA LYS 116 HA LYS 116 -11.103 5.054 5.054 860 1HB LYS 116 1HB LYS 116 -13.514 4.890 4.890 861 2HB LYS 116 2HB LYS 116 -12.755 3.402 3.402 862 1HG LYS 116 2HG LYS 116 -12.897 4.319 4.319 863 2HG LYS 116 1HG LYS 116 -13.715 5.754 5.754 864 1HD LYS 116 2HD LYS 116 -15.640 4.471 4.471 865 2HD LYS 116 1HD LYS 116 -14.795 2.933 2.933 866 1HE LYS 116 1HE LYS 116 -16.365 3.556 3.556 867 2HE LYS 116 2HE LYS 116 -14.688 3.282 3.282 868 1HZ LYS 116 2HZ LYS 116 -15.871 5.926 5.926 869 2HZ LYS 116 3HZ LYS 116 -15.638 5.234 5.234 870 3HZ LYS 116 1HZ LYS 116 -14.342 5.622 5.622 871 HHA HEC 117 HHA HEM 117 3.048 2.264 2.264 872 HHB HEC 117 HHB HEM 117 -0.723 -2.221 -2.221 873 HHC HEC 117 HHC HEM 117 -2.385 -4.138 -4.138 874 HHD HEC 117 HHD HEM 117 1.140 0.560 0.560 875 1HMA HEC 117 1HMA HEM 117 -0.128 -0.516 -0.516 876 2HMA HEC 117 2HMA HEM 117 1.504 0.040 0.040 877 3HMA HEC 117 3HMA HEM 117 1.246 -1.647 -1.647 878 1HAA HEC 117 1HAA HEM 117 3.531 2.118 2.118 879 2HAA HEC 117 2HAA HEM 117 3.159 1.241 1.241 880 1HBA HEC 117 1HBA HEM 117 1.411 3.415 3.415 881 2HBA HEC 117 2HBA HEM 117 1.056 2.513 2.513 882 1HMB HEC 117 1HMB HEM 117 -2.748 -2.961 -2.961 883 2HMB HEC 117 2HMB HEM 117 -2.622 -4.694 -4.694 884 3HMB HEC 117 3HMB HEM 117 -4.024 -3.735 -3.735 885 HAB HEC 117 HAB HEM 117 -3.551 -5.244 -5.244 886 1HBB HEC 117 1HBB HEM 117 -4.009 -7.122 -7.122 887 2HBB HEC 117 2HBB HEM 117 -2.279 -6.729 -6.729 888 3HBB HEC 117 3HBB HEM 117 -3.398 -6.292 -6.292 889 1HMC HEC 117 1HMC HEM 117 -2.613 -4.317 -4.317 890 2HMC HEC 117 2HMC HEM 117 -3.305 -2.860 -2.860 891 3HMC HEC 117 3HMC HEM 117 -1.955 -3.710 -3.710 892 HAC HEC 117 HAC HEM 117 -1.438 -1.664 -1.664 893 1HBC HEC 117 1HBC HEM 117 0.962 -2.268 -2.268 894 2HBC HEC 117 2HBC HEM 117 1.400 -0.580 -0.580 895 3HBC HEC 117 3HBC HEM 117 0.450 -0.990 -0.990 896 1HMD HEC 117 1HMD HEM 117 1.751 3.354 3.354 897 2HMD HEC 117 2HMD HEM 117 2.841 2.035 2.035 898 3HMD HEC 117 3HMD HEM 117 3.479 3.428 3.428 899 1HAD HEC 117 1HAD HEM 117 3.478 4.380 4.380 900 2HAD HEC 117 2HAD HEM 117 3.110 4.147 4.147 901 1HBD HEC 117 1HBD HEM 117 5.254 2.415 2.415 902 2HBD HEC 117 2HBD HEM 117 5.165 3.135 3.135
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