NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
6697 | 1je3 | 5059 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 -8.670 54.458 -13.138 2 2H MET 1 HT2 MET 1 -7.384 54.722 -12.034 3 3H MET 1 HT3 MET 1 -9.002 54.657 -11.467 4 HA MET 1 HA MET 1 -8.508 52.334 -12.877 5 1HB MET 1 HB2 MET 1 -6.113 53.029 -12.415 6 2HB MET 1 HB1 MET 1 -6.474 52.850 -10.703 7 1HG MET 1 HG1 MET 1 -6.762 50.539 -10.885 8 2HG MET 1 HG2 MET 1 -6.911 50.607 -12.640 9 1HE MET 1 HE1 MET 1 -5.176 48.971 -10.403 10 2HE MET 1 HE2 MET 1 -3.506 48.853 -10.960 11 3HE MET 1 HE3 MET 1 -4.824 48.331 -12.009 12 H GLY 2 HN GLY 2 -9.550 50.695 -11.824 13 1HA GLY 2 HA1 GLY 2 -11.228 51.392 -9.629 14 2HA GLY 2 HA2 GLY 2 -11.079 49.799 -10.354 15 H SER 3 HN SER 3 -11.217 50.710 -7.514 16 HA SER 3 HA SER 3 -8.674 49.557 -6.576 17 1HB SER 3 HB2 SER 3 -9.886 51.976 -5.855 18 2HB SER 3 HB1 SER 3 -10.199 50.891 -4.501 19 HG SER 3 HG SER 3 -7.802 50.397 -4.838 20 H SER 4 HN SER 4 -12.122 49.801 -5.709 21 HA SER 4 HA SER 4 -11.973 47.024 -4.740 22 1HB SER 4 HB2 SER 4 -13.898 47.867 -3.151 23 2HB SER 4 HB1 SER 4 -12.209 48.136 -2.718 24 HG SER 4 HG SER 4 -13.663 50.005 -2.570 25 H HIS 5 HN HIS 5 -13.039 48.724 -7.180 26 HA HIS 5 HA HIS 5 -15.792 47.755 -7.220 27 1HB HIS 5 HB2 HIS 5 -14.221 49.679 -8.910 28 2HB HIS 5 HB1 HIS 5 -15.727 48.994 -9.512 29 HD2 HIS 5 HD2 HIS 5 -18.050 49.854 -8.228 30 HE1 HIS 5 HE1 HIS 5 -16.095 52.878 -6.004 31 HE2 HIS 5 HE2 HIS 5 -18.342 51.943 -6.716 32 H HIS 6 HN HIS 6 -14.000 45.693 -7.214 33 HA HIS 6 HA HIS 6 -14.337 44.609 -9.923 34 1HB HIS 6 HB2 HIS 6 -11.835 44.904 -8.375 35 2HB HIS 6 HB1 HIS 6 -12.073 43.334 -9.138 36 HD2 HIS 6 HD2 HIS 6 -11.651 43.240 -11.823 37 HE1 HIS 6 HE1 HIS 6 -10.995 47.392 -12.331 38 HE2 HIS 6 HE2 HIS 6 -10.915 45.119 -13.455 39 H HIS 7 HN HIS 7 -15.572 42.863 -9.841 40 HA HIS 7 HA HIS 7 -15.809 41.389 -7.328 41 1HB HIS 7 HB2 HIS 7 -17.495 41.620 -9.794 42 2HB HIS 7 HB1 HIS 7 -17.677 40.214 -8.751 43 HD2 HIS 7 HD2 HIS 7 -20.093 40.850 -7.678 44 HE1 HIS 7 HE1 HIS 7 -18.916 44.590 -6.081 45 HE2 HIS 7 HE2 HIS 7 -20.766 42.858 -6.178 46 H HIS 8 HN HIS 8 -14.460 39.744 -7.053 47 HA HIS 8 HA HIS 8 -13.221 38.397 -9.267 48 1HB HIS 8 HB2 HIS 8 -12.243 36.953 -7.412 49 2HB HIS 8 HB1 HIS 8 -11.852 38.669 -7.350 50 HD2 HIS 8 HD2 HIS 8 -12.488 39.922 -5.047 51 HE1 HIS 8 HE1 HIS 8 -14.786 36.779 -3.387 52 HE2 HIS 8 HE2 HIS 8 -13.765 39.062 -2.959 53 H HIS 9 HN HIS 9 -13.574 36.343 -10.010 54 HA HIS 9 HA HIS 9 -16.074 35.082 -9.114 55 1HB HIS 9 HB2 HIS 9 -15.726 33.827 -11.394 56 2HB HIS 9 HB1 HIS 9 -16.369 35.465 -11.379 57 HD2 HIS 9 HD2 HIS 9 -15.366 36.235 -13.795 58 HE1 HIS 9 HE1 HIS 9 -11.299 35.586 -12.815 59 HE2 HIS 9 HE2 HIS 9 -12.899 36.544 -14.536 60 H HIS 10 HN HIS 10 -12.660 34.609 -9.475 61 HA HIS 10 HA HIS 10 -12.968 31.857 -8.465 62 1HB HIS 10 HB2 HIS 10 -11.310 32.946 -10.644 63 2HB HIS 10 HB1 HIS 10 -10.461 31.864 -9.546 64 HD2 HIS 10 HD2 HIS 10 -13.381 31.773 -12.134 65 HE1 HIS 10 HE1 HIS 10 -12.282 27.816 -11.109 66 HE2 HIS 10 HE2 HIS 10 -13.711 29.249 -12.638 67 H SER 11 HN SER 11 -11.155 31.089 -7.130 68 HA SER 11 HA SER 11 -10.156 33.267 -5.430 69 1HB SER 11 HB2 SER 11 -10.299 30.327 -4.734 70 2HB SER 11 HB1 SER 11 -10.042 31.681 -3.632 71 HG SER 11 HG SER 11 -12.132 32.250 -3.814 72 H SER 12 HN SER 12 -8.008 33.428 -4.879 73 HA SER 12 HA SER 12 -6.166 31.986 -6.634 74 1HB SER 12 HB1 SER 12 -6.211 34.633 -5.363 75 2HB SER 12 HB2 SER 12 -4.643 33.830 -5.276 76 HG SER 12 HG SER 12 -4.927 33.470 -7.606 77 H GLY 13 HN GLY 13 -5.591 30.077 -5.767 78 1HA GLY 13 HA2 GLY 13 -4.882 30.004 -2.909 79 2HA GLY 13 HA1 GLY 13 -5.319 28.607 -3.880 80 H LEU 14 HN LEU 14 -2.842 31.151 -3.646 81 HA LEU 14 HA LEU 14 -0.894 29.383 -4.904 82 1HB LEU 14 HB1 LEU 14 -1.077 31.819 -5.497 83 2HB LEU 14 HB2 LEU 14 -0.498 32.195 -3.885 84 HG LEU 14 HG LEU 14 1.359 30.381 -4.993 85 1HD1 LEU 14 HD2 LEU 14 0.521 32.541 -6.913 86 2HD1 LEU 14 HD2 LEU 14 0.594 30.803 -7.202 87 3HD1 LEU 14 HD2 LEU 14 2.082 31.723 -6.982 88 1HD2 LEU 14 HD1 LEU 14 2.195 33.138 -5.105 89 2HD2 LEU 14 HD1 LEU 14 2.733 31.840 -4.039 90 3HD2 LEU 14 HD1 LEU 14 1.314 32.798 -3.616 91 H VAL 15 HN VAL 15 0.224 28.014 -3.693 92 HA VAL 15 HA VAL 15 0.977 28.840 -0.966 93 HB VAL 15 HB VAL 15 0.394 25.989 -1.753 94 1HG1 VAL 15 HG1 VAL 15 0.610 27.301 0.954 95 2HG1 VAL 15 HG1 VAL 15 1.888 26.366 0.179 96 3HG1 VAL 15 HG1 VAL 15 0.373 25.584 0.629 97 1HG2 VAL 15 HG2 VAL 15 -1.786 26.149 -1.012 98 2HG2 VAL 15 HG2 VAL 15 -1.577 27.691 -1.842 99 3HG2 VAL 15 HG2 VAL 15 -1.473 27.615 -0.083 100 HA PRO 16 HA PRO 16 4.877 27.976 -3.251 101 1HB PRO 16 HB2 PRO 16 6.378 29.701 -1.778 102 2HB PRO 16 HB1 PRO 16 5.426 30.202 -3.179 103 1HG PRO 16 HG2 PRO 16 4.766 30.407 -0.266 104 2HG PRO 16 HG1 PRO 16 4.528 31.603 -1.553 105 1HD PRO 16 HD1 PRO 16 2.515 30.058 -0.628 106 2HD PRO 16 HD2 PRO 16 2.608 30.579 -2.323 107 H ARG 17 HN ARG 17 5.281 25.918 -2.529 108 HA ARG 17 HA ARG 17 6.586 25.707 0.103 109 1HB ARG 17 HB2 ARG 17 4.600 23.819 -1.162 110 2HB ARG 17 HB1 ARG 17 5.646 23.343 0.168 111 1HG ARG 17 HG1 ARG 17 4.525 25.667 1.094 112 2HG ARG 17 HG2 ARG 17 3.207 24.931 0.179 113 1HD ARG 17 HD1 ARG 17 3.759 22.781 1.431 114 2HD ARG 17 HD2 ARG 17 4.735 23.787 2.500 115 HE ARG 17 HE ARG 17 2.156 24.889 2.279 116 1HH1 ARG 17 HH1 ARG 17 3.809 22.150 3.666 117 2HH1 ARG 17 HH1 ARG 17 2.673 21.958 4.958 118 1HH2 ARG 17 HH2 ARG 17 0.658 24.641 3.978 119 2HH2 ARG 17 HH2 ARG 17 0.883 23.373 5.136 120 H GLY 18 HN GLY 18 7.940 23.673 0.264 121 1HA GLY 18 HA1 GLY 18 9.605 23.526 -2.127 122 2HA GLY 18 HA2 GLY 18 10.017 22.915 -0.531 123 H SER 19 HN SER 19 7.101 21.748 -0.715 124 HA SER 19 HA SER 19 7.888 19.351 -2.238 125 1HB SER 19 HB2 SER 19 6.754 17.975 -0.632 126 2HB SER 19 HB1 SER 19 7.793 19.075 0.275 127 HG SER 19 HG SER 19 6.009 19.510 1.301 128 H HIS 20 HN HIS 20 6.007 18.034 -2.992 129 HA HIS 20 HA HIS 20 4.290 19.609 -4.574 130 1HB HIS 20 HB2 HIS 20 4.764 16.755 -4.115 131 2HB HIS 20 HB1 HIS 20 3.090 17.128 -4.511 132 HD2 HIS 20 HD2 HIS 20 4.632 15.495 -6.732 133 HE1 HIS 20 HE1 HIS 20 5.139 19.220 -8.679 134 HE2 HIS 20 HE2 HIS 20 5.194 16.701 -8.961 135 H MET 21 HN MET 21 1.928 19.580 -4.559 136 HA MET 21 HA MET 21 0.872 20.445 -2.108 137 1HB MET 21 HB2 MET 21 -0.089 20.051 -4.833 138 2HB MET 21 HB1 MET 21 -1.330 19.718 -3.631 139 1HG MET 21 HG2 MET 21 -0.797 21.955 -2.619 140 2HG MET 21 HG1 MET 21 0.203 22.269 -4.037 141 1HE MET 21 HE1 MET 21 -0.980 22.619 -6.636 142 2HE MET 21 HE2 MET 21 -0.556 23.850 -5.446 143 3HE MET 21 HE3 MET 21 -2.104 23.932 -6.286 144 H LYS 22 HN LYS 22 0.473 17.375 -3.846 145 HA LYS 22 HA LYS 22 -0.383 16.150 -1.314 146 1HB LYS 22 HB2 LYS 22 -2.092 16.568 -3.425 147 2HB LYS 22 HB1 LYS 22 -1.533 14.928 -3.722 148 1HG LYS 22 HG2 LYS 22 -2.588 14.088 -1.904 149 2HG LYS 22 HG1 LYS 22 -2.387 15.570 -0.965 150 1HD LYS 22 HD2 LYS 22 -4.126 16.649 -2.331 151 2HD LYS 22 HD1 LYS 22 -4.349 15.138 -3.216 152 1HE LYS 22 HE2 LYS 22 -5.057 14.015 -1.194 153 2HE LYS 22 HE1 LYS 22 -4.732 15.464 -0.243 154 1HZ LYS 22 HZ1 LYS 22 -6.474 16.074 -2.384 155 2HZ LYS 22 HZ2 LYS 22 -6.736 16.236 -0.721 156 3HZ LYS 22 HZ3 LYS 22 -7.098 14.777 -1.497 157 H ASN 23 HN ASN 23 -0.517 13.563 -1.934 158 HA ASN 23 HA ASN 23 2.076 12.921 -3.173 159 1HB ASN 23 HB1 ASN 23 1.466 12.668 -0.474 160 2HB ASN 23 HB2 ASN 23 1.257 11.037 -1.107 161 1HD2 ASN 23 HD2 ASN 23 3.506 13.631 -1.976 162 2HD2 ASN 23 HD2 ASN 23 4.943 12.716 -1.688 163 H ILE 24 HN ILE 24 1.664 11.867 -4.992 164 HA ILE 24 HA ILE 24 -0.539 9.913 -5.028 165 HB ILE 24 HB ILE 24 0.734 10.865 -7.550 166 1HG1 ILE 24 HG1 ILE 24 0.306 12.927 -6.247 167 2HG1 ILE 24 HG1 ILE 24 -0.738 12.806 -7.658 168 1HG2 ILE 24 HG2 ILE 24 -0.889 9.123 -7.736 169 2HG2 ILE 24 HG2 ILE 24 -1.611 10.607 -8.357 170 3HG2 ILE 24 HG2 ILE 24 -2.043 10.020 -6.751 171 1HD1 ILE 24 HD1 ILE 24 -1.559 12.105 -4.851 172 2HD1 ILE 24 HD1 ILE 24 -2.593 12.132 -6.280 173 3HD1 ILE 24 HD1 ILE 24 -1.904 13.633 -5.662 174 H VAL 25 HN VAL 25 2.256 9.541 -4.059 175 HA VAL 25 HA VAL 25 3.449 7.776 -6.024 176 HB VAL 25 HB VAL 25 4.464 8.031 -3.219 177 1HG1 VAL 25 HG2 VAL 25 6.513 7.419 -4.116 178 2HG1 VAL 25 HG2 VAL 25 6.070 7.938 -5.742 179 3HG1 VAL 25 HG2 VAL 25 5.374 6.465 -5.066 180 1HG2 VAL 25 HG1 VAL 25 5.014 10.018 -5.420 181 2HG2 VAL 25 HG1 VAL 25 5.702 10.019 -3.796 182 3HG2 VAL 25 HG1 VAL 25 3.979 10.318 -4.024 183 HA PRO 26 HA PRO 26 2.477 4.621 -2.361 184 1HB PRO 26 HB1 PRO 26 0.034 5.956 -1.319 185 2HB PRO 26 HB2 PRO 26 1.292 5.072 -0.449 186 1HG PRO 26 HG1 PRO 26 1.170 7.727 -0.327 187 2HG PRO 26 HG2 PRO 26 2.733 6.891 -0.420 188 1HD PRO 26 HD2 PRO 26 1.224 8.339 -2.560 189 2HD PRO 26 HD1 PRO 26 2.970 8.300 -2.242 190 H ASP 27 HN ASP 27 1.968 3.472 -4.245 191 HA ASP 27 HA ASP 27 -0.395 3.720 -5.715 192 1HB ASP 27 HB1 ASP 27 1.476 2.542 -6.654 193 2HB ASP 27 HB2 ASP 27 1.453 1.357 -5.352 194 H TYR 28 HN TYR 28 0.319 0.808 -3.763 195 HA TYR 28 HA TYR 28 -2.458 0.939 -2.778 196 1HB TYR 28 HB1 TYR 28 -1.667 -0.777 -4.781 197 2HB TYR 28 HB2 TYR 28 -1.549 -1.784 -3.342 198 HD1 TYR 28 HD1 TYR 28 -3.860 0.302 -5.342 199 HD2 TYR 28 HD2 TYR 28 -3.488 -2.612 -2.264 200 HE1 TYR 28 HE1 TYR 28 -6.291 -0.065 -5.404 201 HE2 TYR 28 HE2 TYR 28 -5.918 -2.986 -2.317 202 HH TYR 28 HH TYR 28 -7.795 -2.634 -4.236 203 H ARG 29 HN ARG 29 -2.905 -0.602 -1.005 204 HA ARG 29 HA ARG 29 -0.542 -1.217 0.625 205 1HB ARG 29 HB1 ARG 29 -2.063 0.959 1.168 206 2HB ARG 29 HB2 ARG 29 -2.932 -0.262 2.087 207 1HG ARG 29 HG1 ARG 29 -1.046 -0.743 3.423 208 2HG ARG 29 HG2 ARG 29 0.029 0.163 2.354 209 1HD ARG 29 HD1 ARG 29 -0.741 2.215 3.103 210 2HD ARG 29 HD2 ARG 29 -2.263 1.542 3.688 211 HE ARG 29 HE ARG 29 0.342 1.218 5.027 212 1HH1 ARG 29 HH2 ARG 29 -3.140 1.360 5.096 213 2HH1 ARG 29 HH2 ARG 29 -3.238 1.253 6.822 214 1HH2 ARG 29 HH1 ARG 29 0.220 1.077 7.300 215 2HH2 ARG 29 HH1 ARG 29 -1.329 1.092 8.075 216 H LEU 30 HN LEU 30 -0.569 -3.338 0.957 217 HA LEU 30 HA LEU 30 -3.160 -4.699 1.285 218 1HB LEU 30 HB2 LEU 30 -1.350 -5.285 -0.561 219 2HB LEU 30 HB1 LEU 30 -0.619 -6.181 0.756 220 HG LEU 30 HG LEU 30 -2.136 -7.485 -0.817 221 1HD1 LEU 30 HD2 LEU 30 -2.857 -8.922 0.893 222 2HD1 LEU 30 HD2 LEU 30 -3.010 -7.605 2.055 223 3HD1 LEU 30 HD2 LEU 30 -1.414 -8.136 1.531 224 1HD2 LEU 30 HD1 LEU 30 -4.599 -7.275 0.131 225 2HD2 LEU 30 HD1 LEU 30 -4.036 -6.293 -1.221 226 3HD2 LEU 30 HD1 LEU 30 -4.092 -5.609 0.403 227 H ASP 31 HN ASP 31 -3.130 -3.951 3.549 228 HA ASP 31 HA ASP 31 -1.176 -5.338 5.238 229 1HB ASP 31 HB2 ASP 31 -2.441 -3.776 6.998 230 2HB ASP 31 HB1 ASP 31 -1.123 -3.182 5.992 231 H MET 32 HN MET 32 -2.476 -7.345 4.672 232 HA MET 32 HA MET 32 -4.421 -7.759 6.813 233 1HB MET 32 HB2 MET 32 -5.502 -9.370 4.908 234 2HB MET 32 HB1 MET 32 -6.092 -7.762 5.307 235 1HG MET 32 HG1 MET 32 -4.353 -7.005 3.511 236 2HG MET 32 HG2 MET 32 -4.504 -8.672 2.961 237 1HE MET 32 HE1 MET 32 -7.525 -9.243 3.808 238 2HE MET 32 HE2 MET 32 -6.916 -9.760 2.236 239 3HE MET 32 HE3 MET 32 -8.420 -8.846 2.343 240 H VAL 33 HN VAL 33 -4.220 -10.261 4.506 241 HA VAL 33 HA VAL 33 -2.104 -11.645 6.002 242 HB VAL 33 HB VAL 33 -4.801 -12.834 5.316 243 1HG1 VAL 33 HG1 VAL 33 -3.915 -14.861 5.493 244 2HG1 VAL 33 HG1 VAL 33 -3.173 -14.452 7.040 245 3HG1 VAL 33 HG1 VAL 33 -2.318 -14.115 5.534 246 1HG2 VAL 33 HG2 VAL 33 -5.237 -12.929 7.639 247 2HG2 VAL 33 HG2 VAL 33 -4.669 -11.292 7.309 248 3HG2 VAL 33 HG2 VAL 33 -3.582 -12.472 8.042 249 H GLY 34 HN GLY 34 -0.810 -12.959 4.782 250 1HA GLY 34 HA2 GLY 34 -0.761 -12.568 1.976 251 2HA GLY 34 HA1 GLY 34 0.228 -13.710 2.874 252 H GLU 35 HN GLU 35 -2.768 -13.238 1.141 253 HA GLU 35 HA GLU 35 -3.572 -16.002 1.459 254 1HB GLU 35 HB2 GLU 35 -5.424 -14.595 1.404 255 2HB GLU 35 HB1 GLU 35 -4.744 -13.581 0.139 256 1HG GLU 35 HG2 GLU 35 -5.226 -15.186 -1.531 257 2HG GLU 35 HG1 GLU 35 -5.624 -16.414 -0.330 258 HA PRO 36 HA PRO 36 -1.295 -17.389 -2.099 259 1HB PRO 36 HB2 PRO 36 -2.520 -19.786 -2.432 260 2HB PRO 36 HB1 PRO 36 -1.347 -19.480 -1.145 261 1HG PRO 36 HG2 PRO 36 -4.341 -19.467 -1.023 262 2HG PRO 36 HG1 PRO 36 -3.181 -20.182 0.111 263 1HD PRO 36 HD2 PRO 36 -4.372 -17.803 0.578 264 2HD PRO 36 HD1 PRO 36 -2.714 -18.153 1.110 265 H CYS 37 HN CYS 37 -4.797 -17.273 -2.000 266 HA CYS 37 HA CYS 37 -5.172 -17.710 -4.800 267 1HB CYS 37 HB1 CYS 37 -6.882 -18.115 -2.951 268 2HB CYS 37 HB2 CYS 37 -7.126 -16.372 -2.928 269 HG CYS 37 HG CYS 37 -8.823 -17.776 -4.527 270 HA PRO 38 HA PRO 38 -4.091 -13.672 -6.285 271 1HB PRO 38 HB1 PRO 38 -6.027 -14.247 -8.451 272 2HB PRO 38 HB2 PRO 38 -4.307 -13.860 -8.553 273 1HG PRO 38 HG2 PRO 38 -5.187 -16.339 -9.005 274 2HG PRO 38 HG1 PRO 38 -3.656 -16.048 -8.159 275 1HD PRO 38 HD2 PRO 38 -6.327 -16.811 -7.040 276 2HD PRO 38 HD1 PRO 38 -4.708 -17.381 -6.581 277 H TYR 39 HN TYR 39 -5.172 -12.510 -4.603 278 HA TYR 39 HA TYR 39 -7.624 -11.230 -5.541 279 1HB TYR 39 HB1 TYR 39 -8.298 -13.023 -3.957 280 2HB TYR 39 HB2 TYR 39 -7.325 -12.250 -2.711 281 HD1 TYR 39 HD1 TYR 39 -8.123 -10.340 -1.529 282 HD2 TYR 39 HD2 TYR 39 -10.323 -11.875 -4.831 283 HE1 TYR 39 HE1 TYR 39 -10.032 -8.920 -0.909 284 HE2 TYR 39 HE2 TYR 39 -12.237 -10.460 -4.221 285 HH TYR 39 HH TYR 39 -13.139 -9.267 -2.395 286 HA PRO 40 HA PRO 40 -5.515 -8.327 -2.307 287 1HB PRO 40 HB1 PRO 40 -3.088 -9.047 -1.329 288 2HB PRO 40 HB2 PRO 40 -4.610 -9.487 -0.548 289 1HG PRO 40 HG2 PRO 40 -2.862 -11.118 -2.350 290 2HG PRO 40 HG1 PRO 40 -3.678 -11.596 -0.849 291 1HD PRO 40 HD2 PRO 40 -4.657 -12.212 -3.295 292 2HD PRO 40 HD1 PRO 40 -5.708 -11.893 -1.900 293 H ALA 41 HN ALA 41 -2.501 -9.838 -3.386 294 HA ALA 41 HA ALA 41 -1.301 -7.555 -4.352 295 1HB ALA 41 HB1 ALA 41 -0.643 -10.104 -5.713 296 2HB ALA 41 HB2 ALA 41 -0.435 -10.022 -3.963 297 3HB ALA 41 HB3 ALA 41 0.417 -8.884 -5.007 298 H VAL 42 HN VAL 42 -4.022 -8.883 -5.719 299 HA VAL 42 HA VAL 42 -3.588 -8.886 -8.457 300 HB VAL 42 HB VAL 42 -6.037 -7.991 -6.932 301 1HG1 VAL 42 HG1 VAL 42 -6.773 -8.909 -9.478 302 2HG1 VAL 42 HG1 VAL 42 -5.447 -7.775 -9.736 303 3HG1 VAL 42 HG1 VAL 42 -6.887 -7.263 -8.854 304 1HG2 VAL 42 HG2 VAL 42 -6.878 -10.198 -7.384 305 2HG2 VAL 42 HG2 VAL 42 -5.294 -10.339 -6.623 306 3HG2 VAL 42 HG2 VAL 42 -5.462 -10.583 -8.361 307 H ALA 43 HN ALA 43 -3.779 -6.231 -6.223 308 HA ALA 43 HA ALA 43 -4.123 -4.166 -8.178 309 1HB ALA 43 HB1 ALA 43 -2.894 -3.097 -5.878 310 2HB ALA 43 HB2 ALA 43 -4.011 -4.347 -5.332 311 3HB ALA 43 HB3 ALA 43 -4.595 -3.022 -6.339 312 H THR 44 HN THR 44 -1.400 -5.730 -6.609 313 HA THR 44 HA THR 44 0.645 -3.982 -7.317 314 HB THR 44 HB THR 44 1.242 -6.884 -7.411 315 HG1 THR 44 HG1 THR 44 0.651 -7.272 -5.380 316 1HG2 THR 44 HG2 THR 44 3.208 -5.823 -7.119 317 2HG2 THR 44 HG2 THR 44 2.734 -5.940 -5.424 318 3HG2 THR 44 HG2 THR 44 2.471 -4.439 -6.313 319 H LEU 45 HN LEU 45 -0.433 -6.914 -9.034 320 HA LEU 45 HA LEU 45 1.262 -6.622 -11.244 321 1HB LEU 45 HB1 LEU 45 -1.332 -8.065 -10.811 322 2HB LEU 45 HB2 LEU 45 -0.586 -8.034 -12.397 323 HG LEU 45 HG LEU 45 0.685 -9.130 -9.885 324 1HD1 LEU 45 HD1 LEU 45 0.490 -11.208 -11.590 325 2HD1 LEU 45 HD1 LEU 45 -0.973 -10.316 -12.006 326 3HD1 LEU 45 HD1 LEU 45 -0.703 -10.840 -10.345 327 1HD2 LEU 45 HD2 LEU 45 2.514 -8.501 -11.111 328 2HD2 LEU 45 HD2 LEU 45 1.679 -8.679 -12.655 329 3HD2 LEU 45 HD2 LEU 45 2.221 -10.109 -11.776 330 H GLU 46 HN GLU 46 -2.120 -5.605 -10.800 331 HA GLU 46 HA GLU 46 -2.431 -4.497 -13.375 332 1HB GLU 46 HB1 GLU 46 -4.498 -3.738 -12.655 333 2HB GLU 46 HB2 GLU 46 -4.208 -5.083 -11.560 334 1HG GLU 46 HG2 GLU 46 -3.603 -3.614 -9.790 335 2HG GLU 46 HG1 GLU 46 -3.592 -2.222 -10.872 336 H ALA 47 HN ALA 47 -0.777 -3.400 -10.594 337 HA ALA 47 HA ALA 47 -0.896 -0.594 -11.130 338 1HB ALA 47 HB1 ALA 47 -0.234 -0.662 -9.005 339 2HB ALA 47 HB2 ALA 47 1.380 -1.007 -9.624 340 3HB ALA 47 HB3 ALA 47 0.317 -2.331 -9.149 341 H MET 48 HN MET 48 1.158 -3.236 -12.128 342 HA MET 48 HA MET 48 3.440 -1.934 -12.934 343 1HB MET 48 HB2 MET 48 2.110 -4.445 -13.624 344 2HB MET 48 HB1 MET 48 3.099 -3.806 -14.930 345 1HG MET 48 HG2 MET 48 4.178 -4.036 -12.150 346 2HG MET 48 HG1 MET 48 4.165 -5.419 -13.243 347 1HE MET 48 HE1 MET 48 5.091 -5.533 -15.399 348 2HE MET 48 HE2 MET 48 6.675 -4.874 -15.811 349 3HE MET 48 HE3 MET 48 5.211 -4.000 -16.264 350 HA PRO 49 HA PRO 49 1.551 -0.902 -17.239 351 1HB PRO 49 HB1 PRO 49 -1.130 -1.071 -17.560 352 2HB PRO 49 HB2 PRO 49 -0.047 -2.432 -17.877 353 1HG PRO 49 HG2 PRO 49 -1.728 -1.868 -15.465 354 2HG PRO 49 HG1 PRO 49 -1.474 -3.402 -16.318 355 1HD PRO 49 HD2 PRO 49 -0.178 -2.760 -14.020 356 2HD PRO 49 HD1 PRO 49 0.537 -3.794 -15.273 357 H GLN 50 HN GLN 50 -0.647 -0.300 -14.525 358 HA GLN 50 HA GLN 50 -1.323 2.353 -15.337 359 1HB GLN 50 HB1 GLN 50 -1.723 0.753 -12.826 360 2HB GLN 50 HB2 GLN 50 -2.121 2.464 -12.872 361 1HG GLN 50 HG1 GLN 50 -3.324 1.419 -15.139 362 2HG GLN 50 HG2 GLN 50 -3.583 0.196 -13.895 363 1HE2 GLN 50 HE2 GLN 50 -5.154 2.509 -15.311 364 2HE2 GLN 50 HE2 GLN 50 -6.047 3.198 -14.003 365 H LEU 51 HN LEU 51 1.580 1.280 -14.513 366 HA LEU 51 HA LEU 51 2.601 2.643 -12.397 367 1HB LEU 51 HB2 LEU 51 4.678 2.267 -13.296 368 2HB LEU 51 HB1 LEU 51 3.715 1.102 -14.176 369 HG LEU 51 HG LEU 51 3.828 3.640 -15.571 370 1HD1 LEU 51 HD2 LEU 51 6.438 2.258 -14.967 371 2HD1 LEU 51 HD2 LEU 51 5.983 3.899 -14.510 372 3HD1 LEU 51 HD2 LEU 51 6.204 3.487 -16.210 373 1HD2 LEU 51 HD1 LEU 51 4.763 0.875 -16.323 374 2HD2 LEU 51 HD1 LEU 51 4.461 2.219 -17.425 375 3HD2 LEU 51 HD1 LEU 51 3.124 1.492 -16.534 376 H LYS 52 HN LYS 52 3.672 4.639 -12.104 377 HA LYS 52 HA LYS 52 3.027 6.749 -14.043 378 1HB LYS 52 HB2 LYS 52 2.730 7.153 -11.069 379 2HB LYS 52 HB1 LYS 52 2.202 8.219 -12.363 380 1HG LYS 52 HG2 LYS 52 0.457 6.704 -12.987 381 2HG LYS 52 HG1 LYS 52 1.054 5.483 -11.861 382 1HD LYS 52 HD2 LYS 52 0.719 7.507 -10.149 383 2HD LYS 52 HD1 LYS 52 -0.501 7.951 -11.344 384 1HE LYS 52 HE2 LYS 52 -0.458 5.118 -10.516 385 2HE LYS 52 HE1 LYS 52 -0.966 6.279 -9.290 386 1HZ LYS 52 HZ1 LYS 52 -2.957 6.120 -10.243 387 2HZ LYS 52 HZ2 LYS 52 -2.350 5.379 -11.636 388 3HZ LYS 52 HZ3 LYS 52 -2.327 7.065 -11.497 389 H LYS 53 HN LYS 53 4.043 8.895 -12.625 390 HA LYS 53 HA LYS 53 6.891 8.377 -12.820 391 1HB LYS 53 HB2 LYS 53 5.138 10.742 -12.881 392 2HB LYS 53 HB1 LYS 53 6.676 10.997 -12.070 393 1HG LYS 53 HG2 LYS 53 7.885 10.323 -14.037 394 2HG LYS 53 HG1 LYS 53 6.381 9.891 -14.854 395 1HD LYS 53 HD2 LYS 53 5.713 12.350 -14.423 396 2HD LYS 53 HD1 LYS 53 7.439 12.606 -14.158 397 1HE LYS 53 HE2 LYS 53 6.705 13.069 -16.486 398 2HE LYS 53 HE1 LYS 53 7.958 11.834 -16.366 399 1HZ LYS 53 HZ1 LYS 53 5.267 10.800 -16.287 400 2HZ LYS 53 HZ2 LYS 53 6.602 10.275 -17.183 401 3HZ LYS 53 HZ3 LYS 53 5.663 11.566 -17.742 402 H GLY 54 HN GLY 54 5.852 6.980 -10.724 403 1HA GLY 54 HA2 GLY 54 7.406 7.181 -8.615 404 2HA GLY 54 HA1 GLY 54 6.340 8.542 -8.295 405 H GLU 55 HN GLU 55 6.761 5.173 -8.068 406 HA GLU 55 HA GLU 55 4.001 4.876 -7.089 407 1HB GLU 55 HB2 GLU 55 4.490 3.651 -9.210 408 2HB GLU 55 HB1 GLU 55 5.680 2.699 -8.340 409 1HG GLU 55 HG2 GLU 55 4.065 1.278 -7.832 410 2HG GLU 55 HG1 GLU 55 3.326 2.538 -6.843 411 H ILE 56 HN ILE 56 3.698 3.270 -5.435 412 HA ILE 56 HA ILE 56 5.945 2.284 -3.945 413 HB ILE 56 HB ILE 56 4.461 4.707 -3.013 414 1HG1 ILE 56 HG1 ILE 56 7.311 3.791 -2.569 415 2HG1 ILE 56 HG1 ILE 56 6.793 4.808 -3.909 416 1HG2 ILE 56 HG2 ILE 56 5.508 2.545 -1.199 417 2HG2 ILE 56 HG2 ILE 56 3.874 3.205 -1.266 418 3HG2 ILE 56 HG2 ILE 56 5.202 4.199 -0.669 419 1HD1 ILE 56 HD1 ILE 56 5.855 6.021 -1.548 420 2HD1 ILE 56 HD1 ILE 56 7.112 6.587 -2.648 421 3HD1 ILE 56 HD1 ILE 56 7.536 5.565 -1.275 422 H LEU 57 HN LEU 57 5.285 0.875 -2.200 423 HA LEU 57 HA LEU 57 2.427 0.301 -2.030 424 1HB LEU 57 HB2 LEU 57 3.878 -1.223 -3.658 425 2HB LEU 57 HB1 LEU 57 4.222 -2.051 -2.169 426 HG LEU 57 HG LEU 57 1.645 -2.096 -1.874 427 1HD1 LEU 57 HD2 LEU 57 0.377 -1.310 -3.509 428 2HD1 LEU 57 HD2 LEU 57 1.198 -2.334 -4.686 429 3HD1 LEU 57 HD2 LEU 57 1.830 -0.729 -4.321 430 1HD2 LEU 57 HD1 LEU 57 2.139 -4.235 -2.193 431 2HD2 LEU 57 HD1 LEU 57 3.507 -3.819 -3.225 432 3HD2 LEU 57 HD1 LEU 57 1.894 -3.984 -3.921 433 H GLU 58 HN GLU 58 1.833 -0.888 -0.189 434 HA GLU 58 HA GLU 58 3.934 -1.378 1.717 435 1HB GLU 58 HB1 GLU 58 1.499 0.024 2.759 436 2HB GLU 58 HB2 GLU 58 3.117 -0.039 3.442 437 1HG GLU 58 HG1 GLU 58 3.934 1.543 1.873 438 2HG GLU 58 HG2 GLU 58 2.453 1.460 0.918 439 H VAL 59 HN VAL 59 3.684 -3.447 2.199 440 HA VAL 59 HA VAL 59 0.948 -4.513 2.453 441 HB VAL 59 HB VAL 59 3.424 -6.019 1.620 442 1HG1 VAL 59 HG1 VAL 59 1.578 -7.242 2.878 443 2HG1 VAL 59 HG1 VAL 59 2.052 -7.899 1.311 444 3HG1 VAL 59 HG1 VAL 59 0.573 -6.949 1.459 445 1HG2 VAL 59 HG2 VAL 59 1.294 -5.873 -0.327 446 2HG2 VAL 59 HG2 VAL 59 3.006 -5.487 -0.501 447 3HG2 VAL 59 HG2 VAL 59 1.884 -4.268 0.104 448 H VAL 60 HN VAL 60 0.384 -5.195 4.381 449 HA VAL 60 HA VAL 60 2.448 -6.208 6.217 450 HB VAL 60 HB VAL 60 0.073 -4.496 6.968 451 1HG1 VAL 60 HG1 VAL 60 1.526 -6.440 8.487 452 2HG1 VAL 60 HG1 VAL 60 0.169 -5.429 8.983 453 3HG1 VAL 60 HG1 VAL 60 1.820 -4.832 9.147 454 1HG2 VAL 60 HG2 VAL 60 2.959 -3.973 6.587 455 2HG2 VAL 60 HG2 VAL 60 2.192 -3.217 7.983 456 3HG2 VAL 60 HG2 VAL 60 1.572 -2.906 6.362 457 H SER 61 HN SER 61 1.990 -8.340 5.691 458 HA SER 61 HA SER 61 -0.678 -9.275 6.506 459 1HB SER 61 HB1 SER 61 -0.104 -11.170 4.750 460 2HB SER 61 HB2 SER 61 -0.824 -9.645 4.232 461 HG SER 61 HG SER 61 1.257 -10.589 3.207 462 H ASP 62 HN ASP 62 -0.750 -11.558 7.139 463 HA ASP 62 HA ASP 62 1.780 -12.396 8.405 464 1HB ASP 62 HB1 ASP 62 0.252 -13.553 10.087 465 2HB ASP 62 HB2 ASP 62 0.301 -11.794 10.160 466 H CYS 63 HN CYS 63 2.523 -14.390 7.980 467 HA CYS 63 HA CYS 63 0.727 -16.425 6.924 468 1HB CYS 63 HB1 CYS 63 2.430 -14.874 5.240 469 2HB CYS 63 HB2 CYS 63 3.066 -16.515 5.297 470 HG CYS 63 HG CYS 63 0.091 -16.105 4.533 471 HA PRO 64 HA PRO 64 3.330 -18.978 9.438 472 1HB PRO 64 HB1 PRO 64 2.697 -21.410 8.430 473 2HB PRO 64 HB2 PRO 64 1.592 -20.485 9.453 474 1HG PRO 64 HG2 PRO 64 1.641 -20.752 6.468 475 2HG PRO 64 HG1 PRO 64 0.254 -20.798 7.573 476 1HD PRO 64 HD2 PRO 64 0.915 -18.589 6.147 477 2HD PRO 64 HD1 PRO 64 0.158 -18.503 7.750 478 H GLN 65 HN GLN 65 3.475 -19.082 5.952 479 HA GLN 65 HA GLN 65 5.927 -20.614 5.889 480 1HB GLN 65 HB2 GLN 65 4.722 -19.085 3.589 481 2HB GLN 65 HB1 GLN 65 5.774 -20.492 3.525 482 1HG GLN 65 HG1 GLN 65 3.858 -21.714 4.727 483 2HG GLN 65 HG2 GLN 65 2.869 -20.347 4.218 484 1HE2 GLN 65 HE2 GLN 65 2.895 -19.845 1.891 485 2HE2 GLN 65 HE2 GLN 65 2.982 -21.160 0.773 486 H SER 66 HN SER 66 7.305 -19.278 3.847 487 HA SER 66 HA SER 66 8.159 -16.814 5.219 488 1HB SER 66 HB1 SER 66 9.758 -18.783 5.350 489 2HB SER 66 HB2 SER 66 9.963 -18.624 3.605 490 HG SER 66 HG SER 66 10.643 -16.444 4.007 491 H ILE 67 HN ILE 67 7.308 -18.348 2.244 492 HA ILE 67 HA ILE 67 8.373 -16.528 0.398 493 HB ILE 67 HB ILE 67 5.774 -18.019 0.070 494 1HG1 ILE 67 HG1 ILE 67 8.134 -19.287 -1.069 495 2HG1 ILE 67 HG1 ILE 67 8.247 -19.147 0.683 496 1HG2 ILE 67 HG2 ILE 67 7.822 -17.281 -2.007 497 2HG2 ILE 67 HG2 ILE 67 6.428 -16.272 -1.617 498 3HG2 ILE 67 HG2 ILE 67 6.189 -17.896 -2.263 499 1HD1 ILE 67 HD1 ILE 67 6.427 -20.770 -0.980 500 2HD1 ILE 67 HD1 ILE 67 5.768 -20.095 0.511 501 3HD1 ILE 67 HD1 ILE 67 7.191 -21.136 0.567 502 H ASN 68 HN ASN 68 7.677 -14.622 -0.432 503 HA ASN 68 HA ASN 68 5.605 -13.221 1.052 504 1HB ASN 68 HB2 ASN 68 7.062 -11.934 -1.210 505 2HB ASN 68 HB1 ASN 68 6.590 -11.263 0.349 506 1HD2 ASN 68 HD2 ASN 68 7.832 -11.841 2.207 507 2HD2 ASN 68 HD2 ASN 68 9.494 -12.279 2.037 508 H ASN 69 HN ASN 69 3.601 -12.903 0.343 509 HA ASN 69 HA ASN 69 2.725 -14.086 -2.091 510 1HB ASN 69 HB2 ASN 69 1.334 -14.013 -0.051 511 2HB ASN 69 HB1 ASN 69 1.219 -12.262 -0.206 512 1HD2 ASN 69 HD2 ASN 69 -0.800 -11.839 -0.751 513 2HD2 ASN 69 HD2 ASN 69 -1.677 -12.587 -2.038 514 H ILE 70 HN ILE 70 2.022 -10.757 -1.056 515 HA ILE 70 HA ILE 70 1.377 -9.766 -3.523 516 HB ILE 70 HB ILE 70 2.788 -8.024 -1.528 517 1HG1 ILE 70 HG1 ILE 70 1.260 -9.331 -0.196 518 2HG1 ILE 70 HG1 ILE 70 0.553 -7.733 -0.427 519 1HG2 ILE 70 HG2 ILE 70 1.299 -6.319 -2.338 520 2HG2 ILE 70 HG2 ILE 70 0.425 -7.492 -3.323 521 3HG2 ILE 70 HG2 ILE 70 2.096 -7.083 -3.712 522 1HD1 ILE 70 HD1 ILE 70 -0.202 -10.253 -1.889 523 2HD1 ILE 70 HD1 ILE 70 -0.875 -8.653 -2.202 524 3HD1 ILE 70 HD1 ILE 70 -1.138 -9.430 -0.641 525 HA PRO 71 HA PRO 71 5.992 -8.140 -4.088 526 1HB PRO 71 HB2 PRO 71 7.357 -10.373 -2.672 527 2HB PRO 71 HB1 PRO 71 7.802 -8.667 -2.779 528 1HG PRO 71 HG2 PRO 71 6.744 -9.639 -0.547 529 2HG PRO 71 HG1 PRO 71 6.279 -8.034 -1.141 530 1HD PRO 71 HD1 PRO 71 4.784 -10.622 -1.298 531 2HD PRO 71 HD2 PRO 71 4.173 -8.984 -0.987 532 H LEU 72 HN LEU 72 5.197 -11.574 -3.860 533 HA LEU 72 HA LEU 72 6.873 -12.505 -5.906 534 1HB LEU 72 HB1 LEU 72 5.488 -13.823 -4.182 535 2HB LEU 72 HB2 LEU 72 4.165 -13.668 -5.322 536 HG LEU 72 HG LEU 72 6.439 -14.636 -6.739 537 1HD1 LEU 72 HD2 LEU 72 7.488 -16.015 -5.356 538 2HD1 LEU 72 HD2 LEU 72 5.968 -16.843 -5.015 539 3HD1 LEU 72 HD2 LEU 72 6.463 -15.466 -4.030 540 1HD2 LEU 72 HD1 LEU 72 4.584 -15.422 -7.710 541 2HD2 LEU 72 HD1 LEU 72 3.652 -15.337 -6.215 542 3HD2 LEU 72 HD1 LEU 72 4.693 -16.726 -6.527 543 H ASP 73 HN ASP 73 3.661 -11.084 -5.977 544 HA ASP 73 HA ASP 73 3.040 -11.670 -8.661 545 1HB ASP 73 HB2 ASP 73 2.018 -9.842 -6.574 546 2HB ASP 73 HB1 ASP 73 1.690 -9.354 -8.234 547 H ALA 74 HN ALA 74 4.231 -8.621 -7.238 548 HA ALA 74 HA ALA 74 4.652 -7.290 -9.665 549 1HB ALA 74 HB1 ALA 74 5.327 -6.862 -6.864 550 2HB ALA 74 HB2 ALA 74 4.812 -5.711 -8.098 551 3HB ALA 74 HB3 ALA 74 6.509 -6.182 -7.982 552 H ARG 75 HN ARG 75 6.714 -9.463 -7.830 553 HA ARG 75 HA ARG 75 9.118 -8.968 -9.216 554 1HB ARG 75 HB2 ARG 75 8.079 -11.147 -7.468 555 2HB ARG 75 HB1 ARG 75 9.504 -11.488 -8.440 556 1HG ARG 75 HG2 ARG 75 9.702 -8.944 -7.062 557 2HG ARG 75 HG1 ARG 75 9.457 -10.297 -5.955 558 1HD ARG 75 HD1 ARG 75 11.536 -10.307 -8.130 559 2HD ARG 75 HD2 ARG 75 11.857 -9.730 -6.495 560 HE ARG 75 HE ARG 75 11.460 -11.960 -5.695 561 1HH1 ARG 75 HH2 ARG 75 11.703 -11.633 -9.155 562 2HH1 ARG 75 HH2 ARG 75 12.078 -13.303 -9.416 563 1HH2 ARG 75 HH1 ARG 75 11.954 -14.160 -6.028 564 2HH2 ARG 75 HH1 ARG 75 12.221 -14.740 -7.638 565 H ASN 76 HN ASN 76 6.393 -11.096 -9.848 566 HA ASN 76 HA ASN 76 7.521 -12.698 -11.844 567 1HB ASN 76 HB2 ASN 76 5.218 -12.873 -10.666 568 2HB ASN 76 HB1 ASN 76 4.655 -11.792 -11.939 569 1HD2 ASN 76 HD2 ASN 76 5.571 -14.980 -11.111 570 2HD2 ASN 76 HD2 ASN 76 5.273 -15.707 -12.650 571 H HIS 77 HN HIS 77 5.334 -9.925 -12.362 572 HA HIS 77 HA HIS 77 5.936 -9.682 -15.113 573 1HB HIS 77 HB2 HIS 77 4.333 -8.260 -13.130 574 2HB HIS 77 HB1 HIS 77 5.067 -7.172 -14.303 575 HD2 HIS 77 HD2 HIS 77 3.822 -10.684 -15.440 576 HE1 HIS 77 HE1 HIS 77 1.249 -7.712 -17.009 577 HE2 HIS 77 HE2 HIS 77 1.833 -10.179 -17.028 578 H GLY 78 HN GLY 78 7.452 -8.490 -12.238 579 1HA GLY 78 HA1 GLY 78 9.612 -7.655 -12.054 580 2HA GLY 78 HA2 GLY 78 9.677 -7.500 -13.803 581 H TYR 79 HN TYR 79 8.900 -5.948 -10.806 582 HA TYR 79 HA TYR 79 8.035 -3.506 -12.148 583 1HB TYR 79 HB2 TYR 79 7.357 -4.670 -9.713 584 2HB TYR 79 HB1 TYR 79 8.386 -3.314 -9.258 585 HD1 TYR 79 HD1 TYR 79 5.110 -4.196 -9.626 586 HD2 TYR 79 HD2 TYR 79 7.793 -1.124 -10.837 587 HE1 TYR 79 HE1 TYR 79 3.212 -2.658 -9.912 588 HE2 TYR 79 HE2 TYR 79 5.904 0.421 -11.127 589 HH TYR 79 HH TYR 79 3.330 0.108 -11.617 590 H THR 80 HN THR 80 9.109 -1.760 -10.066 591 HA THR 80 HA THR 80 11.789 -1.484 -11.166 592 HB THR 80 HB THR 80 10.682 0.446 -9.179 593 HG1 THR 80 HG1 THR 80 8.942 0.627 -10.333 594 1HG2 THR 80 HG2 THR 80 12.225 0.750 -11.739 595 2HG2 THR 80 HG2 THR 80 12.819 0.985 -10.094 596 3HG2 THR 80 HG2 THR 80 11.621 2.092 -10.767 597 H VAL 81 HN VAL 81 10.423 -1.131 -7.883 598 HA VAL 81 HA VAL 81 12.844 -2.462 -6.851 599 HB VAL 81 HB VAL 81 11.403 -0.357 -5.270 600 1HG1 VAL 81 HG1 VAL 81 14.297 -0.652 -5.033 601 2HG1 VAL 81 HG1 VAL 81 13.406 -2.124 -4.646 602 3HG1 VAL 81 HG1 VAL 81 13.053 -0.627 -3.783 603 1HG2 VAL 81 HG2 VAL 81 11.947 0.884 -7.186 604 2HG2 VAL 81 HG2 VAL 81 13.489 0.053 -7.391 605 3HG2 VAL 81 HG2 VAL 81 13.271 1.190 -6.060 606 H LEU 82 HN LEU 82 12.423 -4.249 -5.771 607 HA LEU 82 HA LEU 82 9.856 -4.521 -4.361 608 1HB LEU 82 HB2 LEU 82 10.936 -6.109 -6.507 609 2HB LEU 82 HB1 LEU 82 10.776 -7.095 -5.068 610 HG LEU 82 HG LEU 82 8.800 -7.228 -6.535 611 1HD1 LEU 82 HD1 LEU 82 8.132 -5.831 -3.955 612 2HD1 LEU 82 HD1 LEU 82 8.669 -7.507 -4.052 613 3HD1 LEU 82 HD1 LEU 82 7.161 -7.018 -4.824 614 1HD2 LEU 82 HD2 LEU 82 8.515 -5.218 -7.599 615 2HD2 LEU 82 HD2 LEU 82 8.841 -4.275 -6.145 616 3HD2 LEU 82 HD2 LEU 82 7.292 -5.096 -6.334 617 H ASP 83 HN ASP 83 10.434 -4.325 -2.266 618 HA ASP 83 HA ASP 83 12.577 -6.093 -1.288 619 1HB ASP 83 HB1 ASP 83 12.584 -3.285 -1.243 620 2HB ASP 83 HB2 ASP 83 12.223 -3.781 0.408 621 H ILE 84 HN ILE 84 12.367 -6.753 0.963 622 HA ILE 84 HA ILE 84 9.679 -6.476 2.091 623 HB ILE 84 HB ILE 84 9.361 -8.787 2.479 624 1HG1 ILE 84 HG1 ILE 84 11.767 -9.316 2.934 625 2HG1 ILE 84 HG1 ILE 84 10.944 -10.522 1.952 626 1HG2 ILE 84 HG2 ILE 84 8.641 -8.115 0.307 627 2HG2 ILE 84 HG2 ILE 84 9.334 -9.732 0.188 628 3HG2 ILE 84 HG2 ILE 84 10.262 -8.333 -0.354 629 1HD1 ILE 84 HD1 ILE 84 12.906 -10.341 0.820 630 2HD1 ILE 84 HD1 ILE 84 13.109 -8.636 1.216 631 3HD1 ILE 84 HD1 ILE 84 11.956 -9.121 -0.026 632 H GLN 85 HN GLN 85 9.560 -7.367 4.331 633 HA GLN 85 HA GLN 85 12.043 -7.648 5.777 634 1HB GLN 85 HB1 GLN 85 11.498 -5.127 5.519 635 2HB GLN 85 HB2 GLN 85 10.214 -5.438 6.679 636 1HG GLN 85 HG1 GLN 85 11.867 -6.248 8.288 637 2HG GLN 85 HG2 GLN 85 13.151 -5.919 7.125 638 1HE2 GLN 85 HE2 GLN 85 12.628 -3.531 6.134 639 2HE2 GLN 85 HE2 GLN 85 12.583 -2.320 7.364 640 H GLN 86 HN GLN 86 11.697 -8.315 8.008 641 HA GLN 86 HA GLN 86 8.949 -9.193 8.574 642 1HB GLN 86 HB1 GLN 86 10.858 -10.944 7.745 643 2HB GLN 86 HB2 GLN 86 11.088 -11.008 9.487 644 1HG GLN 86 HG1 GLN 86 8.353 -11.171 9.202 645 2HG GLN 86 HG2 GLN 86 8.967 -12.111 7.844 646 1HE2 GLN 86 HE2 GLN 86 8.685 -14.154 8.443 647 2HE2 GLN 86 HE2 GLN 86 9.276 -14.858 9.906 648 H ASP 87 HN ASP 87 8.532 -9.654 10.844 649 HA ASP 87 HA ASP 87 10.372 -8.217 12.644 650 1HB ASP 87 HB2 ASP 87 7.942 -7.258 11.956 651 2HB ASP 87 HB1 ASP 87 7.488 -8.256 13.334 652 H GLY 88 HN GLY 88 7.365 -9.978 13.282 653 1HA GLY 88 HA2 GLY 88 8.908 -12.084 14.630 654 2HA GLY 88 HA1 GLY 88 7.684 -11.214 15.543 655 HA PRO 89 HA PRO 89 4.905 -14.330 14.023 656 1HB PRO 89 HB1 PRO 89 2.594 -13.349 14.966 657 2HB PRO 89 HB2 PRO 89 3.832 -13.998 16.048 658 1HG PRO 89 HG1 PRO 89 3.202 -11.149 15.377 659 2HG PRO 89 HG2 PRO 89 3.582 -11.870 16.952 660 1HD PRO 89 HD1 PRO 89 5.400 -10.513 15.408 661 2HD PRO 89 HD2 PRO 89 5.840 -11.762 16.589 662 H THR 90 HN THR 90 5.394 -11.478 12.602 663 HA THR 90 HA THR 90 3.417 -12.007 10.522 664 HB THR 90 HB THR 90 3.051 -9.436 10.431 665 HG1 THR 90 HG1 THR 90 3.632 -8.316 12.119 666 1HG2 THR 90 HG2 THR 90 1.092 -9.562 11.633 667 2HG2 THR 90 HG2 THR 90 1.775 -10.661 12.832 668 3HG2 THR 90 HG2 THR 90 1.395 -11.247 11.213 669 H ILE 91 HN ILE 91 3.820 -10.283 8.683 670 HA ILE 91 HA ILE 91 6.648 -9.631 8.409 671 HB ILE 91 HB ILE 91 6.435 -11.928 7.538 672 1HG1 ILE 91 HG1 ILE 91 6.855 -10.036 5.229 673 2HG1 ILE 91 HG1 ILE 91 7.987 -10.121 6.575 674 1HG2 ILE 91 HG2 ILE 91 5.141 -12.366 5.521 675 2HG2 ILE 91 HG2 ILE 91 4.550 -10.705 5.528 676 3HG2 ILE 91 HG2 ILE 91 4.097 -11.806 6.829 677 1HD1 ILE 91 HD1 ILE 91 8.825 -12.108 5.921 678 2HD1 ILE 91 HD1 ILE 91 8.261 -11.549 4.345 679 3HD1 ILE 91 HD1 ILE 91 7.282 -12.678 5.285 680 H ARG 92 HN ARG 92 7.060 -7.977 6.937 681 HA ARG 92 HA ARG 92 4.746 -6.837 5.536 682 1HB ARG 92 HB1 ARG 92 4.652 -5.318 7.213 683 2HB ARG 92 HB2 ARG 92 6.293 -5.650 7.744 684 1HG ARG 92 HG2 ARG 92 6.597 -4.343 5.306 685 2HG ARG 92 HG1 ARG 92 5.284 -3.493 6.124 686 1HD ARG 92 HD1 ARG 92 6.631 -3.004 7.995 687 2HD ARG 92 HD2 ARG 92 7.867 -4.161 7.505 688 HE ARG 92 HE ARG 92 8.607 -2.637 5.863 689 1HH1 ARG 92 HH1 ARG 92 6.029 -1.370 7.837 690 2HH1 ARG 92 HH1 ARG 92 6.332 0.278 7.399 691 1HH2 ARG 92 HH2 ARG 92 9.013 -0.471 5.282 692 2HH2 ARG 92 HH2 ARG 92 8.027 0.789 5.947 693 H TYR 93 HN TYR 93 5.171 -6.256 3.505 694 HA TYR 93 HA TYR 93 7.979 -5.852 2.716 695 1HB TYR 93 HB2 TYR 93 6.303 -6.670 0.510 696 2HB TYR 93 HB1 TYR 93 7.789 -7.395 1.107 697 HD1 TYR 93 HD1 TYR 93 7.708 -9.215 2.760 698 HD2 TYR 93 HD2 TYR 93 4.160 -7.570 1.093 699 HE1 TYR 93 HE1 TYR 93 6.439 -11.168 3.544 700 HE2 TYR 93 HE2 TYR 93 2.882 -9.521 1.870 701 HH TYR 93 HH TYR 93 4.478 -12.220 3.529 702 H LEU 94 HN LEU 94 8.220 -4.521 0.722 703 HA LEU 94 HA LEU 94 6.016 -2.757 0.068 704 1HB LEU 94 HB1 LEU 94 7.629 -0.756 0.547 705 2HB LEU 94 HB2 LEU 94 6.645 -1.431 1.832 706 HG LEU 94 HG LEU 94 9.344 -2.604 1.522 707 1HD1 LEU 94 HD1 LEU 94 9.898 -0.293 1.138 708 2HD1 LEU 94 HD1 LEU 94 10.374 -0.735 2.777 709 3HD1 LEU 94 HD1 LEU 94 8.910 0.211 2.510 710 1HD2 LEU 94 HD2 LEU 94 8.885 -1.818 4.137 711 2HD2 LEU 94 HD2 LEU 94 8.616 -3.423 3.458 712 3HD2 LEU 94 HD2 LEU 94 7.289 -2.265 3.534 713 H ILE 95 HN ILE 95 6.372 -1.472 -1.776 714 HA ILE 95 HA ILE 95 8.859 -1.956 -3.254 715 HB ILE 95 HB ILE 95 7.909 -2.795 -5.130 716 1HG1 ILE 95 HG1 ILE 95 5.227 -2.416 -5.364 717 2HG1 ILE 95 HG1 ILE 95 5.669 -0.967 -4.467 718 1HG2 ILE 95 HG2 ILE 95 5.962 -3.570 -2.970 719 2HG2 ILE 95 HG2 ILE 95 7.399 -4.443 -3.501 720 3HG2 ILE 95 HG2 ILE 95 5.999 -4.321 -4.565 721 1HD1 ILE 95 HD1 ILE 95 5.871 -0.218 -6.609 722 2HD1 ILE 95 HD1 ILE 95 6.402 -1.788 -7.227 723 3HD1 ILE 95 HD1 ILE 95 7.519 -0.775 -6.308 724 H GLN 96 HN GLN 96 9.134 -0.404 -5.086 725 HA GLN 96 HA GLN 96 7.544 2.009 -4.971 726 1HB GLN 96 HB1 GLN 96 9.692 3.397 -4.648 727 2HB GLN 96 HB2 GLN 96 8.956 2.664 -3.230 728 1HG GLN 96 HG1 GLN 96 10.660 1.192 -2.928 729 2HG GLN 96 HG2 GLN 96 11.051 1.120 -4.646 730 1HE2 GLN 96 HE2 GLN 96 12.229 2.044 -1.784 731 2HE2 GLN 96 HE2 GLN 96 13.271 3.332 -2.271 732 H LYS 97 HN LYS 97 8.679 3.739 -6.455 733 HA LYS 97 HA LYS 97 9.724 2.338 -8.830 734 1HB LYS 97 HB1 LYS 97 7.319 3.786 -8.560 735 2HB LYS 97 HB2 LYS 97 8.399 4.808 -9.498 736 1HG LYS 97 HG1 LYS 97 8.427 2.047 -10.394 737 2HG LYS 97 HG2 LYS 97 6.821 2.777 -10.465 738 1HD LYS 97 HD1 LYS 97 7.727 3.310 -12.538 739 2HD LYS 97 HD2 LYS 97 8.027 4.767 -11.587 740 1HE LYS 97 HE2 LYS 97 10.258 4.495 -11.641 741 2HE LYS 97 HE1 LYS 97 10.149 2.746 -11.444 742 1HZ LYS 97 HZ1 LYS 97 9.985 2.411 -13.689 743 2HZ LYS 97 HZ2 LYS 97 10.997 3.766 -13.663 744 3HZ LYS 97 HZ3 LYS 97 9.351 3.947 -14.002 Start of MODEL 2 1 1H MET 1 HT1 MET 1 -14.666 21.723 -33.229 2 2H MET 1 HT2 MET 1 -13.363 20.780 -33.825 3 3H MET 1 HT3 MET 1 -13.653 20.872 -32.137 4 HA MET 1 HA MET 1 -15.288 19.569 -34.200 5 1HB MET 1 HB1 MET 1 -13.584 18.715 -31.879 6 2HB MET 1 HB2 MET 1 -14.900 17.687 -32.429 7 1HG MET 1 HG1 MET 1 -13.783 18.010 -34.767 8 2HG MET 1 HG2 MET 1 -12.364 18.420 -33.804 9 1HE MET 1 HE1 MET 1 -11.442 16.513 -35.366 10 2HE MET 1 HE2 MET 1 -11.205 14.922 -34.643 11 3HE MET 1 HE3 MET 1 -10.600 16.362 -33.822 12 H GLY 2 HN GLY 2 -16.995 18.162 -33.001 13 1HA GLY 2 HA1 GLY 2 -18.557 20.012 -31.353 14 2HA GLY 2 HA2 GLY 2 -19.179 18.602 -32.195 15 H SER 3 HN SER 3 -17.887 19.830 -29.270 16 HA SER 3 HA SER 3 -17.935 17.133 -28.086 17 1HB SER 3 HB2 SER 3 -15.744 18.412 -28.016 18 2HB SER 3 HB1 SER 3 -16.541 19.555 -26.933 19 HG SER 3 HG SER 3 -15.445 17.196 -26.345 20 H SER 4 HN SER 4 -19.724 16.744 -26.977 21 HA SER 4 HA SER 4 -20.831 18.883 -25.291 22 1HB SER 4 HB1 SER 4 -22.470 16.964 -26.970 23 2HB SER 4 HB2 SER 4 -23.108 18.198 -25.883 24 HG SER 4 HG SER 4 -22.316 19.777 -27.223 25 H HIS 5 HN HIS 5 -21.149 18.291 -23.246 26 HA HIS 5 HA HIS 5 -20.825 15.470 -22.550 27 1HB HIS 5 HB2 HIS 5 -20.974 17.805 -20.642 28 2HB HIS 5 HB1 HIS 5 -20.323 16.199 -20.333 29 HD2 HIS 5 HD2 HIS 5 -19.307 19.539 -22.059 30 HE1 HIS 5 HE1 HIS 5 -15.929 16.998 -21.830 31 HE2 HIS 5 HE2 HIS 5 -16.746 19.326 -22.417 32 H HIS 6 HN HIS 6 -22.125 15.059 -20.313 33 HA HIS 6 HA HIS 6 -24.943 15.646 -20.941 34 1HB HIS 6 HB2 HIS 6 -23.555 13.146 -20.359 35 2HB HIS 6 HB1 HIS 6 -24.950 13.397 -19.313 36 HD2 HIS 6 HD2 HIS 6 -26.422 11.432 -20.592 37 HE1 HIS 6 HE1 HIS 6 -26.639 13.486 -24.287 38 HE2 HIS 6 HE2 HIS 6 -27.518 11.522 -22.943 39 H HIS 7 HN HIS 7 -26.132 14.732 -18.651 40 HA HIS 7 HA HIS 7 -25.171 16.685 -16.677 41 1HB HIS 7 HB1 HIS 7 -27.880 15.642 -17.400 42 2HB HIS 7 HB2 HIS 7 -27.602 16.232 -15.765 43 HD2 HIS 7 HD2 HIS 7 -29.647 18.024 -17.220 44 HE1 HIS 7 HE1 HIS 7 -26.406 20.514 -18.321 45 HE2 HIS 7 HE2 HIS 7 -28.927 20.363 -18.084 46 H HIS 8 HN HIS 8 -23.678 15.436 -15.580 47 HA HIS 8 HA HIS 8 -24.839 13.393 -13.834 48 1HB HIS 8 HB2 HIS 8 -22.978 12.867 -15.963 49 2HB HIS 8 HB1 HIS 8 -22.213 12.520 -14.415 50 HD2 HIS 8 HD2 HIS 8 -22.543 9.863 -15.801 51 HE1 HIS 8 HE1 HIS 8 -26.388 9.512 -14.064 52 HE2 HIS 8 HE2 HIS 8 -24.503 8.266 -15.217 53 H HIS 9 HN HIS 9 -21.598 14.733 -14.489 54 HA HIS 9 HA HIS 9 -21.310 15.263 -11.622 55 1HB HIS 9 HB2 HIS 9 -19.364 14.907 -13.879 56 2HB HIS 9 HB1 HIS 9 -18.868 15.748 -12.414 57 HD2 HIS 9 HD2 HIS 9 -20.483 12.226 -13.215 58 HE1 HIS 9 HE1 HIS 9 -17.795 11.919 -9.960 59 HE2 HIS 9 HE2 HIS 9 -19.364 10.643 -11.491 60 H HIS 10 HN HIS 10 -20.115 17.290 -11.032 61 HA HIS 10 HA HIS 10 -21.065 19.517 -12.711 62 1HB HIS 10 HB1 HIS 10 -21.011 19.097 -9.762 63 2HB HIS 10 HB2 HIS 10 -20.750 20.734 -10.358 64 HD2 HIS 10 HD2 HIS 10 -23.149 21.819 -9.724 65 HE1 HIS 10 HE1 HIS 10 -25.518 18.993 -11.805 66 HE2 HIS 10 HE2 HIS 10 -25.536 21.178 -10.518 67 H SER 11 HN SER 11 -19.446 20.383 -13.815 68 HA SER 11 HA SER 11 -16.832 20.669 -12.487 69 1HB SER 11 HB2 SER 11 -17.353 19.367 -14.845 70 2HB SER 11 HB1 SER 11 -16.886 20.970 -15.413 71 HG SER 11 HG SER 11 -14.917 20.727 -14.533 72 H SER 12 HN SER 12 -16.871 22.674 -11.635 73 HA SER 12 HA SER 12 -18.131 24.893 -12.923 74 1HB SER 12 HB1 SER 12 -16.649 24.421 -10.404 75 2HB SER 12 HB2 SER 12 -16.565 26.062 -11.044 76 HG SER 12 HG SER 12 -18.564 24.910 -9.730 77 H GLY 13 HN GLY 13 -14.710 24.398 -12.013 78 1HA GLY 13 HA2 GLY 13 -13.962 25.757 -14.523 79 2HA GLY 13 HA1 GLY 13 -13.236 26.233 -12.996 80 H LEU 14 HN LEU 14 -11.229 25.513 -12.839 81 HA LEU 14 HA LEU 14 -10.609 22.842 -13.920 82 1HB LEU 14 HB1 LEU 14 -9.267 25.420 -14.165 83 2HB LEU 14 HB2 LEU 14 -8.190 24.156 -13.607 84 HG LEU 14 HG LEU 14 -8.061 24.352 -16.017 85 1HD1 LEU 14 HD2 LEU 14 -8.255 22.047 -14.687 86 2HD1 LEU 14 HD2 LEU 14 -8.009 22.128 -16.431 87 3HD1 LEU 14 HD2 LEU 14 -9.625 21.855 -15.781 88 1HD2 LEU 14 HD1 LEU 14 -10.971 24.465 -15.786 89 2HD2 LEU 14 HD1 LEU 14 -10.392 23.412 -17.077 90 3HD2 LEU 14 HD1 LEU 14 -9.902 25.105 -17.034 91 H VAL 15 HN VAL 15 -11.576 23.662 -11.206 92 HA VAL 15 HA VAL 15 -9.352 22.495 -9.664 93 HB VAL 15 HB VAL 15 -11.070 24.023 -7.950 94 1HG1 VAL 15 HG1 VAL 15 -9.105 24.612 -6.978 95 2HG1 VAL 15 HG1 VAL 15 -8.293 24.880 -8.521 96 3HG1 VAL 15 HG1 VAL 15 -8.525 23.238 -7.920 97 1HG2 VAL 15 HG2 VAL 15 -10.522 26.280 -8.762 98 2HG2 VAL 15 HG2 VAL 15 -11.564 25.402 -9.882 99 3HG2 VAL 15 HG2 VAL 15 -9.844 25.574 -10.228 100 HA PRO 16 HA PRO 16 -13.189 19.930 -9.110 101 1HB PRO 16 HB2 PRO 16 -12.177 17.562 -9.865 102 2HB PRO 16 HB1 PRO 16 -12.751 18.745 -11.048 103 1HG PRO 16 HG2 PRO 16 -9.951 18.138 -10.178 104 2HG PRO 16 HG1 PRO 16 -10.575 18.432 -11.810 105 1HD PRO 16 HD1 PRO 16 -9.294 20.328 -10.300 106 2HD PRO 16 HD2 PRO 16 -10.476 20.707 -11.568 107 H ARG 17 HN ARG 17 -13.607 18.339 -7.499 108 HA ARG 17 HA ARG 17 -11.362 17.669 -5.733 109 1HB ARG 17 HB2 ARG 17 -13.819 19.209 -5.053 110 2HB ARG 17 HB1 ARG 17 -13.216 18.066 -3.860 111 1HG ARG 17 HG2 ARG 17 -11.121 19.195 -3.727 112 2HG ARG 17 HG1 ARG 17 -11.529 20.226 -5.100 113 1HD ARG 17 HD1 ARG 17 -12.680 21.653 -3.823 114 2HD ARG 17 HD2 ARG 17 -13.502 20.351 -2.965 115 HE ARG 17 HE ARG 17 -11.872 20.424 -1.323 116 1HH1 ARG 17 HH2 ARG 17 -11.009 22.495 -3.990 117 2HH1 ARG 17 HH2 ARG 17 -9.733 23.288 -3.128 118 1HH2 ARG 17 HH1 ARG 17 -10.194 21.464 -0.183 119 2HH2 ARG 17 HH1 ARG 17 -9.270 22.702 -0.965 120 H GLY 18 HN GLY 18 -11.632 15.777 -4.493 121 1HA GLY 18 HA1 GLY 18 -14.029 14.175 -5.068 122 2HA GLY 18 HA2 GLY 18 -12.447 13.504 -5.434 123 H SER 19 HN SER 19 -11.604 12.240 -3.924 124 HA SER 19 HA SER 19 -12.827 12.043 -1.334 125 1HB SER 19 HB2 SER 19 -10.914 10.492 -2.930 126 2HB SER 19 HB1 SER 19 -10.556 10.492 -1.203 127 HG SER 19 HG SER 19 -13.013 10.054 -1.137 128 H HIS 20 HN HIS 20 -10.994 11.621 0.503 129 HA HIS 20 HA HIS 20 -9.608 14.200 0.712 130 1HB HIS 20 HB2 HIS 20 -10.784 12.302 2.700 131 2HB HIS 20 HB1 HIS 20 -9.445 13.326 3.206 132 HD2 HIS 20 HD2 HIS 20 -11.863 14.171 4.818 133 HE1 HIS 20 HE1 HIS 20 -12.816 16.943 1.763 134 HE2 HIS 20 HE2 HIS 20 -13.230 16.282 4.176 135 H MET 21 HN MET 21 -8.950 11.093 -0.129 136 HA MET 21 HA MET 21 -6.258 11.123 1.052 137 1HB MET 21 HB2 MET 21 -6.277 8.688 0.124 138 2HB MET 21 HB1 MET 21 -7.161 9.058 1.599 139 1HG MET 21 HG1 MET 21 -9.192 8.763 0.627 140 2HG MET 21 HG2 MET 21 -8.628 9.265 -0.965 141 1HE MET 21 HE1 MET 21 -9.426 6.512 -2.592 142 2HE MET 21 HE2 MET 21 -10.281 7.661 -1.562 143 3HE MET 21 HE3 MET 21 -10.305 5.941 -1.174 144 H LYS 22 HN LYS 22 -5.051 12.347 -0.302 145 HA LYS 22 HA LYS 22 -5.136 11.728 -3.174 146 1HB LYS 22 HB2 LYS 22 -3.613 14.055 -2.079 147 2HB LYS 22 HB1 LYS 22 -4.432 13.885 -3.625 148 1HG LYS 22 HG2 LYS 22 -6.402 14.617 -2.817 149 2HG LYS 22 HG1 LYS 22 -6.171 13.838 -1.250 150 1HD LYS 22 HD1 LYS 22 -4.236 15.926 -1.590 151 2HD LYS 22 HD2 LYS 22 -5.857 16.560 -1.886 152 1HE LYS 22 HE2 LYS 22 -6.184 14.981 0.352 153 2HE LYS 22 HE1 LYS 22 -4.604 15.721 0.604 154 1HZ LYS 22 HZ1 LYS 22 -6.977 17.315 -0.158 155 2HZ LYS 22 HZ2 LYS 22 -5.518 17.858 0.505 156 3HZ LYS 22 HZ3 LYS 22 -6.606 16.978 1.458 157 H ASN 23 HN ASN 23 -3.872 9.837 -3.056 158 HA ASN 23 HA ASN 23 -1.137 10.097 -2.069 159 1HB ASN 23 HB2 ASN 23 -2.403 7.630 -3.264 160 2HB ASN 23 HB1 ASN 23 -0.990 7.723 -2.216 161 1HD2 ASN 23 HD2 ASN 23 -1.261 8.011 -0.016 162 2HD2 ASN 23 HD2 ASN 23 -2.785 7.789 0.765 163 H ILE 24 HN ILE 24 0.151 11.108 -3.485 164 HA ILE 24 HA ILE 24 -0.156 10.787 -6.334 165 HB ILE 24 HB ILE 24 2.214 12.085 -5.028 166 1HG1 ILE 24 HG1 ILE 24 -0.127 13.781 -5.681 167 2HG1 ILE 24 HG1 ILE 24 -0.283 12.775 -4.245 168 1HG2 ILE 24 HG2 ILE 24 2.269 11.814 -7.439 169 2HG2 ILE 24 HG2 ILE 24 2.116 13.519 -7.015 170 3HG2 ILE 24 HG2 ILE 24 0.708 12.621 -7.584 171 1HD1 ILE 24 HD1 ILE 24 2.035 14.625 -4.717 172 2HD1 ILE 24 HD1 ILE 24 1.594 13.797 -3.224 173 3HD1 ILE 24 HD1 ILE 24 0.571 15.089 -3.850 174 H VAL 25 HN VAL 25 2.077 9.688 -3.837 175 HA VAL 25 HA VAL 25 3.574 8.163 -5.844 176 HB VAL 25 HB VAL 25 4.359 8.399 -2.954 177 1HG1 VAL 25 HG1 VAL 25 5.479 7.243 -5.354 178 2HG1 VAL 25 HG1 VAL 25 5.973 7.045 -3.672 179 3HG1 VAL 25 HG1 VAL 25 6.587 8.401 -4.618 180 1HG2 VAL 25 HG2 VAL 25 5.489 10.251 -4.997 181 2HG2 VAL 25 HG2 VAL 25 5.386 10.431 -3.245 182 3HG2 VAL 25 HG2 VAL 25 3.946 10.647 -4.240 183 HA PRO 26 HA PRO 26 2.426 4.873 -2.323 184 1HB PRO 26 HB2 PRO 26 -0.172 6.118 -1.565 185 2HB PRO 26 HB1 PRO 26 0.978 5.218 -0.571 186 1HG PRO 26 HG1 PRO 26 0.808 7.867 -0.384 187 2HG PRO 26 HG2 PRO 26 2.380 7.050 -0.306 188 1HD PRO 26 HD1 PRO 26 1.146 8.583 -2.551 189 2HD PRO 26 HD2 PRO 26 2.844 8.493 -2.043 190 H ASP 27 HN ASP 27 2.146 3.613 -4.142 191 HA ASP 27 HA ASP 27 -0.035 3.796 -5.917 192 1HB ASP 27 HB2 ASP 27 2.251 2.581 -6.194 193 2HB ASP 27 HB1 ASP 27 1.434 1.220 -5.430 194 H TYR 28 HN TYR 28 0.555 0.852 -4.007 195 HA TYR 28 HA TYR 28 -2.240 0.973 -3.095 196 1HB TYR 28 HB1 TYR 28 -1.010 -1.043 -4.867 197 2HB TYR 28 HB2 TYR 28 -1.984 -1.690 -3.549 198 HD1 TYR 28 HD1 TYR 28 -2.031 -0.193 -6.798 199 HD2 TYR 28 HD2 TYR 28 -4.379 -0.846 -3.311 200 HE1 TYR 28 HE1 TYR 28 -4.073 0.251 -8.096 201 HE2 TYR 28 HE2 TYR 28 -6.426 -0.405 -4.598 202 HH TYR 28 HH TYR 28 -7.145 -0.517 -7.012 203 H ARG 29 HN ARG 29 -2.710 -0.728 -1.423 204 HA ARG 29 HA ARG 29 -0.352 -1.389 0.191 205 1HB ARG 29 HB2 ARG 29 -2.072 -0.802 2.169 206 2HB ARG 29 HB1 ARG 29 -0.936 0.367 1.511 207 1HG ARG 29 HG1 ARG 29 -2.709 1.680 1.222 208 2HG ARG 29 HG2 ARG 29 -3.102 0.640 -0.147 209 1HD ARG 29 HD2 ARG 29 -4.103 -0.739 2.027 210 2HD ARG 29 HD1 ARG 29 -4.453 0.946 2.408 211 HE ARG 29 HE ARG 29 -5.188 0.003 -0.248 212 1HH1 ARG 29 HH2 ARG 29 -6.179 0.808 2.996 213 2HH1 ARG 29 HH2 ARG 29 -7.854 0.962 2.583 214 1HH2 ARG 29 HH1 ARG 29 -7.392 0.204 -0.799 215 2HH2 ARG 29 HH1 ARG 29 -8.542 0.619 0.427 216 H LEU 30 HN LEU 30 -0.446 -3.328 1.226 217 HA LEU 30 HA LEU 30 -2.994 -4.791 1.187 218 1HB LEU 30 HB1 LEU 30 -0.973 -5.366 -0.539 219 2HB LEU 30 HB2 LEU 30 -0.546 -6.399 0.811 220 HG LEU 30 HG LEU 30 -1.938 -7.500 -0.975 221 1HD1 LEU 30 HD2 LEU 30 -3.750 -7.826 1.215 222 2HD1 LEU 30 HD2 LEU 30 -2.106 -7.671 1.835 223 3HD1 LEU 30 HD2 LEU 30 -2.487 -8.916 0.645 224 1HD2 LEU 30 HD1 LEU 30 -3.766 -6.497 -1.718 225 2HD2 LEU 30 HD1 LEU 30 -3.532 -5.184 -0.564 226 3HD2 LEU 30 HD1 LEU 30 -4.482 -6.599 -0.109 227 H ASP 31 HN ASP 31 -3.046 -4.053 3.440 228 HA ASP 31 HA ASP 31 -1.139 -5.432 5.192 229 1HB ASP 31 HB1 ASP 31 -3.156 -3.422 6.146 230 2HB ASP 31 HB2 ASP 31 -1.589 -3.833 6.838 231 H MET 32 HN MET 32 -2.359 -7.455 4.597 232 HA MET 32 HA MET 32 -4.468 -7.883 6.573 233 1HB MET 32 HB2 MET 32 -4.651 -8.600 3.649 234 2HB MET 32 HB1 MET 32 -5.671 -9.339 4.875 235 1HG MET 32 HG1 MET 32 -6.452 -7.050 5.492 236 2HG MET 32 HG2 MET 32 -5.567 -6.439 4.095 237 1HE MET 32 HE1 MET 32 -8.676 -5.601 3.516 238 2HE MET 32 HE2 MET 32 -8.328 -6.098 1.860 239 3HE MET 32 HE3 MET 32 -7.051 -5.404 2.860 240 H VAL 33 HN VAL 33 -4.145 -10.412 4.368 241 HA VAL 33 HA VAL 33 -2.058 -11.754 5.924 242 HB VAL 33 HB VAL 33 -4.722 -13.031 5.280 243 1HG1 VAL 33 HG1 VAL 33 -2.693 -14.244 7.091 244 2HG1 VAL 33 HG1 VAL 33 -2.459 -14.373 5.347 245 3HG1 VAL 33 HG1 VAL 33 -3.922 -15.019 6.091 246 1HG2 VAL 33 HG2 VAL 33 -4.987 -11.463 7.089 247 2HG2 VAL 33 HG2 VAL 33 -3.566 -12.112 7.909 248 3HG2 VAL 33 HG2 VAL 33 -5.015 -13.103 7.738 249 H GLY 34 HN GLY 34 -0.615 -12.701 4.629 250 1HA GLY 34 HA2 GLY 34 -0.903 -12.647 1.802 251 2HA GLY 34 HA1 GLY 34 0.405 -13.412 2.691 252 H GLU 35 HN GLU 35 -2.525 -13.882 0.974 253 HA GLU 35 HA GLU 35 -2.671 -16.699 1.762 254 1HB GLU 35 HB1 GLU 35 -4.861 -16.740 0.883 255 2HB GLU 35 HB2 GLU 35 -4.725 -15.194 1.707 256 1HG GLU 35 HG2 GLU 35 -4.241 -14.141 -0.499 257 2HG GLU 35 HG1 GLU 35 -4.590 -15.695 -1.254 258 HA PRO 36 HA PRO 36 -0.756 -18.379 -1.823 259 1HB PRO 36 HB1 PRO 36 -2.658 -20.268 -2.573 260 2HB PRO 36 HB2 PRO 36 -1.375 -20.516 -1.388 261 1HG PRO 36 HG1 PRO 36 -4.246 -19.822 -0.958 262 2HG PRO 36 HG2 PRO 36 -3.196 -20.898 -0.017 263 1HD PRO 36 HD1 PRO 36 -3.803 -18.444 0.856 264 2HD PRO 36 HD2 PRO 36 -2.183 -19.132 1.104 265 H CYS 37 HN CYS 37 -4.002 -17.153 -2.002 266 HA CYS 37 HA CYS 37 -4.212 -17.260 -4.860 267 1HB CYS 37 HB1 CYS 37 -5.862 -16.337 -2.615 268 2HB CYS 37 HB2 CYS 37 -6.013 -15.342 -4.060 269 HG CYS 37 HG CYS 37 -6.366 -18.241 -4.765 270 HA PRO 38 HA PRO 38 -1.877 -13.700 -6.016 271 1HB PRO 38 HB1 PRO 38 -4.026 -13.087 -7.956 272 2HB PRO 38 HB2 PRO 38 -2.311 -13.396 -8.239 273 1HG PRO 38 HG2 PRO 38 -4.166 -15.211 -8.877 274 2HG PRO 38 HG1 PRO 38 -2.587 -15.695 -8.228 275 1HD PRO 38 HD1 PRO 38 -5.242 -15.550 -6.855 276 2HD PRO 38 HD2 PRO 38 -3.953 -16.761 -6.694 277 H TYR 39 HN TYR 39 -5.090 -13.506 -4.877 278 HA TYR 39 HA TYR 39 -5.103 -10.586 -4.828 279 1HB TYR 39 HB2 TYR 39 -7.239 -12.379 -3.686 280 2HB TYR 39 HB1 TYR 39 -7.392 -10.721 -4.256 281 HD1 TYR 39 HD1 TYR 39 -7.402 -10.242 -6.686 282 HD2 TYR 39 HD2 TYR 39 -7.423 -14.225 -5.190 283 HE1 TYR 39 HE1 TYR 39 -8.138 -11.058 -8.885 284 HE2 TYR 39 HE2 TYR 39 -8.158 -15.052 -7.385 285 HH TYR 39 HH TYR 39 -8.447 -12.891 -10.163 286 HA PRO 40 HA PRO 40 -6.408 -9.191 -3.626 287 1HB PRO 40 HB1 PRO 40 -5.581 -7.113 -1.845 288 2HB PRO 40 HB2 PRO 40 -7.165 -7.879 -1.958 289 1HG PRO 40 HG2 PRO 40 -5.454 -8.115 0.197 290 2HG PRO 40 HG1 PRO 40 -6.750 -9.258 -0.193 291 1HD PRO 40 HD2 PRO 40 -3.817 -9.456 -0.755 292 2HD PRO 40 HD1 PRO 40 -4.957 -10.720 -0.243 293 H ALA 41 HN ALA 41 -3.210 -9.739 -3.356 294 HA ALA 41 HA ALA 41 -1.893 -7.404 -4.133 295 1HB ALA 41 HB1 ALA 41 -0.431 -9.077 -3.592 296 2HB ALA 41 HB2 ALA 41 -0.362 -9.162 -5.351 297 3HB ALA 41 HB3 ALA 41 -1.350 -10.313 -4.451 298 H VAL 42 HN VAL 42 -4.399 -8.742 -5.763 299 HA VAL 42 HA VAL 42 -3.670 -8.843 -8.444 300 HB VAL 42 HB VAL 42 -5.952 -9.333 -7.342 301 1HG1 VAL 42 HG2 VAL 42 -6.151 -6.952 -6.492 302 2HG1 VAL 42 HG2 VAL 42 -7.576 -7.631 -7.280 303 3HG1 VAL 42 HG2 VAL 42 -6.539 -6.501 -8.153 304 1HG2 VAL 42 HG1 VAL 42 -7.131 -8.722 -9.529 305 2HG2 VAL 42 HG1 VAL 42 -5.729 -9.788 -9.625 306 3HG2 VAL 42 HG1 VAL 42 -5.569 -8.081 -10.039 307 H ALA 43 HN ALA 43 -3.952 -6.194 -6.277 308 HA ALA 43 HA ALA 43 -4.180 -4.112 -8.233 309 1HB ALA 43 HB1 ALA 43 -4.766 -3.029 -6.383 310 2HB ALA 43 HB2 ALA 43 -3.064 -3.018 -5.918 311 3HB ALA 43 HB3 ALA 43 -4.122 -4.315 -5.361 312 H THR 44 HN THR 44 -1.560 -5.719 -6.534 313 HA THR 44 HA THR 44 0.563 -4.041 -7.085 314 HB THR 44 HB THR 44 0.971 -6.987 -7.319 315 HG1 THR 44 HG1 THR 44 -0.319 -5.705 -5.243 316 1HG2 THR 44 HG2 THR 44 2.349 -4.935 -5.609 317 2HG2 THR 44 HG2 THR 44 2.896 -5.449 -7.205 318 3HG2 THR 44 HG2 THR 44 2.841 -6.607 -5.877 319 H LEU 45 HN LEU 45 -0.513 -6.837 -9.010 320 HA LEU 45 HA LEU 45 1.260 -6.444 -11.148 321 1HB LEU 45 HB1 LEU 45 -0.563 -8.360 -10.442 322 2HB LEU 45 HB2 LEU 45 -1.332 -7.637 -11.841 323 HG LEU 45 HG LEU 45 0.977 -7.997 -12.988 324 1HD1 LEU 45 HD2 LEU 45 1.155 -10.189 -10.946 325 2HD1 LEU 45 HD2 LEU 45 2.006 -8.657 -10.754 326 3HD1 LEU 45 HD2 LEU 45 2.356 -9.692 -12.138 327 1HD2 LEU 45 HD1 LEU 45 -1.364 -9.299 -13.096 328 2HD2 LEU 45 HD1 LEU 45 -0.325 -10.602 -12.517 329 3HD2 LEU 45 HD1 LEU 45 0.054 -9.776 -14.029 330 H GLU 46 HN GLU 46 -2.185 -5.557 -10.858 331 HA GLU 46 HA GLU 46 -2.424 -4.349 -13.366 332 1HB GLU 46 HB1 GLU 46 -4.504 -3.583 -12.667 333 2HB GLU 46 HB2 GLU 46 -4.244 -4.978 -11.631 334 1HG GLU 46 HG2 GLU 46 -4.674 -3.671 -9.902 335 2HG GLU 46 HG1 GLU 46 -3.153 -2.841 -10.226 336 H ALA 47 HN ALA 47 -0.869 -3.249 -10.510 337 HA ALA 47 HA ALA 47 -1.003 -0.448 -11.049 338 1HB ALA 47 HB1 ALA 47 -0.516 -1.639 -8.815 339 2HB ALA 47 HB2 ALA 47 0.357 -0.153 -9.193 340 3HB ALA 47 HB3 ALA 47 1.147 -1.716 -9.398 341 H MET 48 HN MET 48 1.210 -3.045 -11.880 342 HA MET 48 HA MET 48 3.452 -1.680 -12.658 343 1HB MET 48 HB2 MET 48 2.253 -4.254 -13.308 344 2HB MET 48 HB1 MET 48 3.212 -3.609 -14.633 345 1HG MET 48 HG2 MET 48 4.381 -3.572 -11.905 346 2HG MET 48 HG1 MET 48 4.270 -5.115 -12.750 347 1HE MET 48 HE1 MET 48 6.612 -5.430 -15.152 348 2HE MET 48 HE2 MET 48 5.601 -4.319 -16.078 349 3HE MET 48 HE3 MET 48 4.858 -5.479 -14.978 350 HA PRO 49 HA PRO 49 1.672 -0.856 -17.079 351 1HB PRO 49 HB1 PRO 49 -1.231 -1.180 -16.799 352 2HB PRO 49 HB2 PRO 49 -0.147 -1.834 -18.029 353 1HG PRO 49 HG2 PRO 49 -1.291 -3.401 -16.165 354 2HG PRO 49 HG1 PRO 49 0.337 -3.719 -16.791 355 1HD PRO 49 HD1 PRO 49 -0.484 -2.427 -14.214 356 2HD PRO 49 HD2 PRO 49 0.802 -3.613 -14.519 357 H GLN 50 HN GLN 50 -0.497 -0.140 -14.377 358 HA GLN 50 HA GLN 50 -1.264 2.433 -15.336 359 1HB GLN 50 HB2 GLN 50 -2.072 0.704 -13.280 360 2HB GLN 50 HB1 GLN 50 -1.509 2.159 -12.469 361 1HG GLN 50 HG1 GLN 50 -2.997 3.473 -13.997 362 2HG GLN 50 HG2 GLN 50 -3.664 1.938 -14.551 363 1HE2 GLN 50 HE2 GLN 50 -5.661 2.958 -13.750 364 2HE2 GLN 50 HE2 GLN 50 -6.069 2.758 -12.084 365 H LEU 51 HN LEU 51 1.684 1.469 -14.437 366 HA LEU 51 HA LEU 51 2.690 3.085 -12.494 367 1HB LEU 51 HB2 LEU 51 4.755 2.588 -13.318 368 2HB LEU 51 HB1 LEU 51 3.810 1.380 -14.159 369 HG LEU 51 HG LEU 51 3.817 3.656 -15.820 370 1HD1 LEU 51 HD2 LEU 51 5.656 4.714 -14.965 371 2HD1 LEU 51 HD2 LEU 51 6.423 3.629 -16.126 372 3HD1 LEU 51 HD2 LEU 51 6.400 3.213 -14.411 373 1HD2 LEU 51 HD1 LEU 51 5.702 1.775 -16.747 374 2HD2 LEU 51 HD1 LEU 51 4.016 1.959 -17.230 375 3HD2 LEU 51 HD1 LEU 51 4.440 0.875 -15.905 376 H LYS 52 HN LYS 52 3.830 5.107 -12.512 377 HA LYS 52 HA LYS 52 2.915 6.977 -14.593 378 1HB LYS 52 HB2 LYS 52 3.147 7.605 -11.644 379 2HB LYS 52 HB1 LYS 52 2.583 8.693 -12.905 380 1HG LYS 52 HG1 LYS 52 0.636 7.305 -13.279 381 2HG LYS 52 HG2 LYS 52 1.218 6.134 -12.094 382 1HD LYS 52 HD1 LYS 52 1.076 7.850 -10.344 383 2HD LYS 52 HD2 LYS 52 0.468 9.003 -11.535 384 1HE LYS 52 HE2 LYS 52 -1.521 7.737 -11.862 385 2HE LYS 52 HE1 LYS 52 -0.885 6.383 -10.928 386 1HZ LYS 52 HZ1 LYS 52 -0.900 7.818 -8.959 387 2HZ LYS 52 HZ2 LYS 52 -2.448 7.637 -9.617 388 3HZ LYS 52 HZ3 LYS 52 -1.583 9.069 -9.869 389 H LYS 53 HN LYS 53 4.825 7.846 -11.788 390 HA LYS 53 HA LYS 53 7.271 7.883 -13.393 391 1HB LYS 53 HB1 LYS 53 7.697 10.222 -12.342 392 2HB LYS 53 HB2 LYS 53 6.663 10.098 -13.759 393 1HG LYS 53 HG1 LYS 53 5.197 9.851 -11.256 394 2HG LYS 53 HG2 LYS 53 6.046 11.390 -11.422 395 1HD LYS 53 HD2 LYS 53 4.626 10.504 -13.834 396 2HD LYS 53 HD1 LYS 53 3.585 10.860 -12.453 397 1HE LYS 53 HE2 LYS 53 3.975 13.066 -12.573 398 2HE LYS 53 HE1 LYS 53 5.692 12.841 -12.911 399 1HZ LYS 53 HZ1 LYS 53 3.904 12.095 -15.063 400 2HZ LYS 53 HZ2 LYS 53 5.359 12.956 -15.112 401 3HZ LYS 53 HZ3 LYS 53 3.922 13.746 -14.694 402 H GLY 54 HN GLY 54 5.805 6.878 -10.702 403 1HA GLY 54 HA2 GLY 54 7.896 5.846 -9.353 404 2HA GLY 54 HA1 GLY 54 7.862 7.500 -8.761 405 H GLU 55 HN GLU 55 6.424 4.387 -8.611 406 HA GLU 55 HA GLU 55 4.286 5.370 -6.861 407 1HB GLU 55 HB2 GLU 55 3.660 2.802 -7.072 408 2HB GLU 55 HB1 GLU 55 3.205 3.967 -8.308 409 1HG GLU 55 HG1 GLU 55 5.817 2.946 -8.868 410 2HG GLU 55 HG2 GLU 55 4.697 1.609 -8.603 411 H ILE 56 HN ILE 56 3.723 3.426 -5.219 412 HA ILE 56 HA ILE 56 6.012 2.246 -3.949 413 HB ILE 56 HB ILE 56 4.826 4.760 -2.893 414 1HG1 ILE 56 HG1 ILE 56 7.537 3.535 -2.384 415 2HG1 ILE 56 HG1 ILE 56 7.172 4.446 -3.847 416 1HG2 ILE 56 HG2 ILE 56 4.103 3.149 -1.210 417 2HG2 ILE 56 HG2 ILE 56 5.365 4.208 -0.579 418 3HG2 ILE 56 HG2 ILE 56 5.757 2.557 -1.059 419 1HD1 ILE 56 HD1 ILE 56 7.883 5.395 -1.241 420 2HD1 ILE 56 HD1 ILE 56 6.325 6.058 -1.732 421 3HD1 ILE 56 HD1 ILE 56 7.742 6.280 -2.758 422 H LEU 57 HN LEU 57 5.384 0.804 -2.209 423 HA LEU 57 HA LEU 57 2.494 0.358 -1.969 424 1HB LEU 57 HB2 LEU 57 4.043 -1.238 -3.516 425 2HB LEU 57 HB1 LEU 57 4.146 -2.071 -1.992 426 HG LEU 57 HG LEU 57 1.518 -1.816 -2.057 427 1HD1 LEU 57 HD2 LEU 57 2.357 -0.994 -4.700 428 2HD1 LEU 57 HD2 LEU 57 0.771 -0.898 -3.935 429 3HD1 LEU 57 HD2 LEU 57 1.267 -2.380 -4.751 430 1HD2 LEU 57 HD1 LEU 57 1.379 -4.029 -3.009 431 2HD2 LEU 57 HD1 LEU 57 2.810 -3.916 -1.985 432 3HD2 LEU 57 HD1 LEU 57 2.974 -3.849 -3.739 433 H GLU 58 HN GLU 58 1.876 -0.851 -0.126 434 HA GLU 58 HA GLU 58 3.954 -1.293 1.826 435 1HB GLU 58 HB1 GLU 58 1.474 0.003 2.874 436 2HB GLU 58 HB2 GLU 58 3.115 0.068 3.500 437 1HG GLU 58 HG1 GLU 58 3.718 1.803 2.136 438 2HG GLU 58 HG2 GLU 58 2.521 1.398 0.906 439 H VAL 59 HN VAL 59 3.738 -3.383 2.232 440 HA VAL 59 HA VAL 59 1.022 -4.506 2.485 441 HB VAL 59 HB VAL 59 3.554 -5.900 1.615 442 1HG1 VAL 59 HG2 VAL 59 1.949 -7.292 2.935 443 2HG1 VAL 59 HG2 VAL 59 2.228 -7.857 1.288 444 3HG1 VAL 59 HG2 VAL 59 0.746 -6.988 1.681 445 1HG2 VAL 59 HG1 VAL 59 1.775 -4.300 0.150 446 2HG2 VAL 59 HG1 VAL 59 1.395 -5.970 -0.274 447 3HG2 VAL 59 HG1 VAL 59 3.038 -5.359 -0.476 448 H VAL 60 HN VAL 60 0.470 -5.261 4.399 449 HA VAL 60 HA VAL 60 2.545 -6.281 6.204 450 HB VAL 60 HB VAL 60 0.273 -4.470 7.039 451 1HG1 VAL 60 HG1 VAL 60 0.686 -4.946 9.224 452 2HG1 VAL 60 HG1 VAL 60 2.387 -5.315 8.937 453 3HG1 VAL 60 HG1 VAL 60 1.147 -6.500 8.528 454 1HG2 VAL 60 HG2 VAL 60 2.378 -3.193 7.945 455 2HG2 VAL 60 HG2 VAL 60 1.866 -3.004 6.268 456 3HG2 VAL 60 HG2 VAL 60 3.206 -4.082 6.665 457 H SER 61 HN SER 61 2.031 -8.399 5.881 458 HA SER 61 HA SER 61 -0.682 -9.193 6.680 459 1HB SER 61 HB1 SER 61 -0.489 -11.047 4.971 460 2HB SER 61 HB2 SER 61 -0.636 -9.424 4.297 461 HG SER 61 HG SER 61 1.711 -10.991 4.550 462 H ASP 62 HN ASP 62 -0.725 -11.680 6.974 463 HA ASP 62 HA ASP 62 1.634 -12.440 8.577 464 1HB ASP 62 HB1 ASP 62 -1.100 -12.252 9.308 465 2HB ASP 62 HB2 ASP 62 -0.670 -13.958 9.306 466 H CYS 63 HN CYS 63 2.639 -14.299 8.089 467 HA CYS 63 HA CYS 63 1.262 -16.319 6.495 468 1HB CYS 63 HB1 CYS 63 3.907 -15.097 5.674 469 2HB CYS 63 HB2 CYS 63 3.122 -16.462 4.888 470 HG CYS 63 HG CYS 63 2.070 -13.541 4.755 471 HA PRO 64 HA PRO 64 3.553 -18.819 9.386 472 1HB PRO 64 HB2 PRO 64 2.784 -21.241 8.487 473 2HB PRO 64 HB1 PRO 64 1.691 -20.180 9.382 474 1HG PRO 64 HG2 PRO 64 1.886 -20.649 6.431 475 2HG PRO 64 HG1 PRO 64 0.441 -20.510 7.449 476 1HD PRO 64 HD2 PRO 64 1.404 -18.467 5.916 477 2HD PRO 64 HD1 PRO 64 0.491 -18.215 7.418 478 H GLN 65 HN GLN 65 4.315 -18.271 6.244 479 HA GLN 65 HA GLN 65 6.637 -20.077 6.366 480 1HB GLN 65 HB2 GLN 65 4.709 -19.598 4.152 481 2HB GLN 65 HB1 GLN 65 6.401 -19.787 3.717 482 1HG GLN 65 HG2 GLN 65 6.481 -21.956 4.737 483 2HG GLN 65 HG1 GLN 65 4.845 -21.763 5.366 484 1HE2 GLN 65 HE2 GLN 65 6.689 -23.012 2.901 485 2HE2 GLN 65 HE2 GLN 65 5.439 -23.293 1.742 486 H SER 66 HN SER 66 7.841 -19.076 3.993 487 HA SER 66 HA SER 66 8.623 -16.393 4.921 488 1HB SER 66 HB1 SER 66 10.298 -18.398 4.869 489 2HB SER 66 HB2 SER 66 10.336 -18.093 3.131 490 HG SER 66 HG SER 66 10.589 -15.792 4.524 491 H ILE 67 HN ILE 67 7.526 -18.270 2.213 492 HA ILE 67 HA ILE 67 8.182 -16.613 0.079 493 HB ILE 67 HB ILE 67 5.602 -18.154 0.306 494 1HG1 ILE 67 HG1 ILE 67 7.762 -19.530 -1.058 495 2HG1 ILE 67 HG1 ILE 67 8.189 -19.177 0.613 496 1HG2 ILE 67 HG2 ILE 67 5.617 -16.795 -1.638 497 2HG2 ILE 67 HG2 ILE 67 5.999 -18.434 -2.164 498 3HG2 ILE 67 HG2 ILE 67 7.283 -17.234 -2.014 499 1HD1 ILE 67 HD1 ILE 67 6.425 -21.180 -0.441 500 2HD1 ILE 67 HD1 ILE 67 5.585 -20.152 0.721 501 3HD1 ILE 67 HD1 ILE 67 7.065 -20.988 1.192 502 H ASN 68 HN ASN 68 7.524 -14.671 -0.578 503 HA ASN 68 HA ASN 68 5.405 -13.331 0.913 504 1HB ASN 68 HB1 ASN 68 6.289 -11.374 -0.643 505 2HB ASN 68 HB2 ASN 68 7.164 -11.857 0.806 506 1HD2 ASN 68 HD2 ASN 68 7.015 -12.229 -2.682 507 2HD2 ASN 68 HD2 ASN 68 8.686 -12.615 -2.897 508 H ASN 69 HN ASN 69 3.426 -13.065 0.139 509 HA ASN 69 HA ASN 69 2.687 -14.132 -2.390 510 1HB ASN 69 HB1 ASN 69 0.991 -12.432 -0.557 511 2HB ASN 69 HB2 ASN 69 0.430 -13.579 -1.772 512 1HD2 ASN 69 HD2 ASN 69 2.344 -13.367 1.192 513 2HD2 ASN 69 HD2 ASN 69 1.911 -14.928 1.792 514 H ILE 70 HN ILE 70 1.865 -10.874 -1.195 515 HA ILE 70 HA ILE 70 1.189 -9.741 -3.577 516 HB ILE 70 HB ILE 70 2.744 -8.033 -1.685 517 1HG1 ILE 70 HG1 ILE 70 1.519 -9.399 -0.137 518 2HG1 ILE 70 HG1 ILE 70 0.676 -7.856 -0.262 519 1HG2 ILE 70 HG2 ILE 70 1.073 -6.395 -2.224 520 2HG2 ILE 70 HG2 ILE 70 0.106 -7.597 -3.080 521 3HG2 ILE 70 HG2 ILE 70 1.675 -7.107 -3.720 522 1HD1 ILE 70 HD1 ILE 70 -0.148 -10.277 -1.833 523 2HD1 ILE 70 HD1 ILE 70 -1.061 -8.798 -1.535 524 3HD1 ILE 70 HD1 ILE 70 -0.756 -9.928 -0.217 525 HA PRO 71 HA PRO 71 5.797 -8.247 -4.310 526 1HB PRO 71 HB2 PRO 71 7.248 -10.403 -2.880 527 2HB PRO 71 HB1 PRO 71 7.615 -8.679 -2.990 528 1HG PRO 71 HG1 PRO 71 6.632 -9.712 -0.746 529 2HG PRO 71 HG2 PRO 71 6.106 -8.117 -1.320 530 1HD PRO 71 HD2 PRO 71 4.703 -10.759 -1.505 531 2HD PRO 71 HD1 PRO 71 4.040 -9.155 -1.121 532 H LEU 72 HN LEU 72 4.937 -11.652 -4.010 533 HA LEU 72 HA LEU 72 6.636 -12.680 -5.995 534 1HB LEU 72 HB1 LEU 72 5.205 -13.945 -4.293 535 2HB LEU 72 HB2 LEU 72 3.877 -13.733 -5.417 536 HG LEU 72 HG LEU 72 5.823 -14.793 -7.033 537 1HD1 LEU 72 HD1 LEU 72 6.267 -16.895 -5.375 538 2HD1 LEU 72 HD1 LEU 72 6.398 -15.537 -4.257 539 3HD1 LEU 72 HD1 LEU 72 7.424 -15.602 -5.690 540 1HD2 LEU 72 HD2 LEU 72 3.479 -15.891 -5.564 541 2HD2 LEU 72 HD2 LEU 72 4.522 -17.000 -6.455 542 3HD2 LEU 72 HD2 LEU 72 3.727 -15.671 -7.296 543 H ASP 73 HN ASP 73 3.539 -11.070 -6.175 544 HA ASP 73 HA ASP 73 2.985 -11.711 -8.889 545 1HB ASP 73 HB2 ASP 73 1.966 -9.555 -7.039 546 2HB ASP 73 HB1 ASP 73 1.410 -9.710 -8.702 547 H ALA 74 HN ALA 74 4.104 -8.668 -7.386 548 HA ALA 74 HA ALA 74 4.645 -7.322 -9.784 549 1HB ALA 74 HB1 ALA 74 4.487 -6.057 -7.782 550 2HB ALA 74 HB2 ALA 74 6.142 -5.888 -8.366 551 3HB ALA 74 HB3 ALA 74 5.788 -6.974 -7.022 552 H ARG 75 HN ARG 75 6.597 -9.521 -7.867 553 HA ARG 75 HA ARG 75 9.060 -9.085 -9.178 554 1HB ARG 75 HB1 ARG 75 9.004 -10.207 -7.041 555 2HB ARG 75 HB2 ARG 75 7.990 -11.489 -7.689 556 1HG ARG 75 HG1 ARG 75 9.773 -12.650 -8.297 557 2HG ARG 75 HG2 ARG 75 10.389 -11.289 -9.238 558 1HD ARG 75 HD1 ARG 75 12.084 -11.631 -7.704 559 2HD ARG 75 HD2 ARG 75 11.134 -10.358 -6.937 560 HE ARG 75 HE ARG 75 10.276 -11.964 -5.413 561 1HH1 ARG 75 HH2 ARG 75 12.757 -13.209 -7.523 562 2HH1 ARG 75 HH2 ARG 75 13.107 -14.573 -6.516 563 1HH2 ARG 75 HH1 ARG 75 10.733 -13.757 -4.084 564 2HH2 ARG 75 HH1 ARG 75 11.957 -14.885 -4.562 565 H ASN 76 HN ASN 76 6.328 -11.205 -9.830 566 HA ASN 76 HA ASN 76 7.500 -12.816 -11.802 567 1HB ASN 76 HB2 ASN 76 5.021 -12.653 -10.614 568 2HB ASN 76 HB1 ASN 76 4.679 -12.167 -12.272 569 1HD2 ASN 76 HD2 ASN 76 6.601 -13.719 -13.580 570 2HD2 ASN 76 HD2 ASN 76 6.155 -15.382 -13.431 571 H HIS 77 HN HIS 77 5.402 -9.959 -12.234 572 HA HIS 77 HA HIS 77 5.853 -9.743 -15.017 573 1HB HIS 77 HB1 HIS 77 4.400 -8.302 -12.983 574 2HB HIS 77 HB2 HIS 77 5.251 -7.172 -14.032 575 HD2 HIS 77 HD2 HIS 77 2.735 -10.179 -14.510 576 HE1 HIS 77 HE1 HIS 77 2.204 -7.312 -17.579 577 HE2 HIS 77 HE2 HIS 77 1.357 -9.494 -16.599 578 H GLY 78 HN GLY 78 6.995 -7.562 -12.429 579 1HA GLY 78 HA1 GLY 78 9.515 -7.358 -12.381 580 2HA GLY 78 HA2 GLY 78 9.368 -7.016 -14.098 581 H TYR 79 HN TYR 79 8.613 -5.826 -10.866 582 HA TYR 79 HA TYR 79 7.896 -3.204 -11.889 583 1HB TYR 79 HB2 TYR 79 7.312 -4.639 -9.538 584 2HB TYR 79 HB1 TYR 79 8.296 -3.270 -9.029 585 HD1 TYR 79 HD1 TYR 79 5.064 -4.256 -9.253 586 HD2 TYR 79 HD2 TYR 79 7.530 -1.031 -10.523 587 HE1 TYR 79 HE1 TYR 79 3.089 -2.797 -9.365 588 HE2 TYR 79 HE2 TYR 79 5.562 0.437 -10.638 589 HH TYR 79 HH TYR 79 2.965 0.147 -9.219 590 H THR 80 HN THR 80 8.965 -1.468 -10.101 591 HA THR 80 HA THR 80 11.665 -1.254 -11.041 592 HB THR 80 HB THR 80 10.614 0.522 -8.887 593 HG1 THR 80 HG1 THR 80 9.658 0.491 -11.554 594 1HG2 THR 80 HG2 THR 80 12.703 1.193 -9.718 595 2HG2 THR 80 HG2 THR 80 11.518 2.268 -10.460 596 3HG2 THR 80 HG2 THR 80 12.206 0.938 -11.391 597 H VAL 81 HN VAL 81 10.374 -1.083 -7.718 598 HA VAL 81 HA VAL 81 12.729 -2.611 -6.831 599 HB VAL 81 HB VAL 81 11.468 -0.413 -5.203 600 1HG1 VAL 81 HG1 VAL 81 14.215 -1.592 -4.928 601 2HG1 VAL 81 HG1 VAL 81 12.810 -2.299 -4.132 602 3HG1 VAL 81 HG1 VAL 81 13.298 -0.648 -3.755 603 1HG2 VAL 81 HG2 VAL 81 13.936 0.521 -5.941 604 2HG2 VAL 81 HG2 VAL 81 12.399 1.024 -6.644 605 3HG2 VAL 81 HG2 VAL 81 13.355 -0.237 -7.423 606 H LEU 82 HN LEU 82 12.294 -4.343 -5.651 607 HA LEU 82 HA LEU 82 9.703 -4.559 -4.284 608 1HB LEU 82 HB2 LEU 82 10.692 -6.126 -6.488 609 2HB LEU 82 HB1 LEU 82 10.491 -7.149 -5.080 610 HG LEU 82 HG LEU 82 8.501 -7.147 -6.528 611 1HD1 LEU 82 HD1 LEU 82 8.142 -7.634 -4.225 612 2HD1 LEU 82 HD1 LEU 82 6.844 -6.563 -4.752 613 3HD1 LEU 82 HD1 LEU 82 8.181 -5.924 -3.796 614 1HD2 LEU 82 HD2 LEU 82 8.207 -4.247 -5.768 615 2HD2 LEU 82 HD2 LEU 82 7.139 -5.196 -6.801 616 3HD2 LEU 82 HD2 LEU 82 8.775 -4.813 -7.338 617 H ASP 83 HN ASP 83 10.414 -4.349 -2.207 618 HA ASP 83 HA ASP 83 12.404 -6.319 -1.294 619 1HB ASP 83 HB1 ASP 83 12.365 -3.406 -0.971 620 2HB ASP 83 HB2 ASP 83 12.589 -4.278 0.543 621 H ILE 84 HN ILE 84 12.268 -6.676 1.131 622 HA ILE 84 HA ILE 84 9.527 -6.404 2.135 623 HB ILE 84 HB ILE 84 9.367 -8.681 2.831 624 1HG1 ILE 84 HG1 ILE 84 12.091 -9.163 1.599 625 2HG1 ILE 84 HG1 ILE 84 11.807 -8.969 3.327 626 1HG2 ILE 84 HG2 ILE 84 10.344 -8.679 -0.020 627 2HG2 ILE 84 HG2 ILE 84 8.748 -8.131 0.497 628 3HG2 ILE 84 HG2 ILE 84 9.217 -9.816 0.721 629 1HD1 ILE 84 HD1 ILE 84 10.031 -10.957 2.387 630 2HD1 ILE 84 HD1 ILE 84 11.395 -11.128 3.492 631 3HD1 ILE 84 HD1 ILE 84 11.638 -11.316 1.755 632 H GLN 85 HN GLN 85 9.584 -7.545 4.483 633 HA GLN 85 HA GLN 85 12.011 -6.987 5.943 634 1HB GLN 85 HB2 GLN 85 9.743 -5.108 5.893 635 2HB GLN 85 HB1 GLN 85 10.293 -5.542 7.505 636 1HG GLN 85 HG1 GLN 85 12.327 -4.540 7.236 637 2HG GLN 85 HG2 GLN 85 12.322 -4.746 5.485 638 1HE2 GLN 85 HE2 GLN 85 11.617 -3.127 4.227 639 2HE2 GLN 85 HE2 GLN 85 10.975 -1.633 4.813 640 H GLN 86 HN GLN 86 11.399 -7.195 8.449 641 HA GLN 86 HA GLN 86 9.293 -9.169 8.853 642 1HB GLN 86 HB1 GLN 86 11.341 -10.439 8.217 643 2HB GLN 86 HB2 GLN 86 12.164 -9.742 9.606 644 1HG GLN 86 HG2 GLN 86 10.207 -10.760 10.962 645 2HG GLN 86 HG1 GLN 86 9.963 -11.757 9.529 646 1HE2 GLN 86 HE2 GLN 86 11.988 -11.087 12.242 647 2HE2 GLN 86 HE2 GLN 86 13.041 -12.445 12.063 648 H ASP 87 HN ASP 87 8.495 -9.244 10.915 649 HA ASP 87 HA ASP 87 9.800 -7.539 12.926 650 1HB ASP 87 HB2 ASP 87 7.630 -6.648 11.672 651 2HB ASP 87 HB1 ASP 87 6.818 -7.669 12.856 652 H GLY 88 HN GLY 88 7.202 -8.230 14.526 653 1HA GLY 88 HA1 GLY 88 8.334 -10.415 15.955 654 2HA GLY 88 HA2 GLY 88 6.741 -9.720 16.215 655 HA PRO 89 HA PRO 89 5.485 -13.644 14.447 656 1HB PRO 89 HB2 PRO 89 2.920 -13.574 15.189 657 2HB PRO 89 HB1 PRO 89 4.208 -13.802 16.378 658 1HG PRO 89 HG1 PRO 89 2.644 -11.341 15.718 659 2HG PRO 89 HG2 PRO 89 3.177 -11.941 17.299 660 1HD PRO 89 HD1 PRO 89 4.451 -9.960 15.829 661 2HD PRO 89 HD2 PRO 89 5.205 -10.917 17.119 662 H THR 90 HN THR 90 5.488 -11.018 12.900 663 HA THR 90 HA THR 90 3.559 -11.868 10.865 664 HB THR 90 HB THR 90 2.857 -9.508 10.505 665 HG1 THR 90 HG1 THR 90 3.510 -8.574 12.933 666 1HG2 THR 90 HG2 THR 90 1.106 -9.816 11.811 667 2HG2 THR 90 HG2 THR 90 2.083 -9.633 13.267 668 3HG2 THR 90 HG2 THR 90 1.939 -11.212 12.495 669 H ILE 91 HN ILE 91 3.876 -10.170 8.919 670 HA ILE 91 HA ILE 91 6.688 -9.521 8.530 671 HB ILE 91 HB ILE 91 6.470 -11.884 7.830 672 1HG1 ILE 91 HG1 ILE 91 6.847 -10.231 5.350 673 2HG1 ILE 91 HG1 ILE 91 7.960 -10.069 6.703 674 1HG2 ILE 91 HG2 ILE 91 5.189 -12.368 5.749 675 2HG2 ILE 91 HG2 ILE 91 4.475 -10.760 5.873 676 3HG2 ILE 91 HG2 ILE 91 4.179 -11.953 7.137 677 1HD1 ILE 91 HD1 ILE 91 8.530 -11.683 4.780 678 2HD1 ILE 91 HD1 ILE 91 7.371 -12.760 5.560 679 3HD1 ILE 91 HD1 ILE 91 8.790 -12.204 6.446 680 H ARG 92 HN ARG 92 7.058 -8.060 6.796 681 HA ARG 92 HA ARG 92 4.681 -7.051 5.416 682 1HB ARG 92 HB1 ARG 92 4.770 -4.947 6.261 683 2HB ARG 92 HB2 ARG 92 5.506 -5.770 7.628 684 1HG ARG 92 HG1 ARG 92 7.739 -5.255 6.640 685 2HG ARG 92 HG2 ARG 92 6.910 -4.274 5.428 686 1HD ARG 92 HD2 ARG 92 6.762 -3.865 8.413 687 2HD ARG 92 HD1 ARG 92 7.767 -2.930 7.306 688 HE ARG 92 HE ARG 92 4.868 -2.980 6.893 689 1HH1 ARG 92 HH2 ARG 92 7.752 -1.244 7.795 690 2HH1 ARG 92 HH2 ARG 92 7.004 0.314 7.684 691 1HH2 ARG 92 HH1 ARG 92 3.875 -0.933 6.743 692 2HH2 ARG 92 HH1 ARG 92 4.801 0.490 7.086 693 H TYR 93 HN TYR 93 5.037 -6.256 3.388 694 HA TYR 93 HA TYR 93 7.822 -6.110 2.452 695 1HB TYR 93 HB2 TYR 93 5.878 -6.919 0.411 696 2HB TYR 93 HB1 TYR 93 7.482 -7.556 0.751 697 HD1 TYR 93 HD1 TYR 93 7.714 -9.172 2.735 698 HD2 TYR 93 HD2 TYR 93 3.980 -8.141 0.981 699 HE1 TYR 93 HE1 TYR 93 6.705 -11.192 3.707 700 HE2 TYR 93 HE2 TYR 93 2.961 -10.158 1.946 701 HH TYR 93 HH TYR 93 3.428 -11.685 3.935 702 H LEU 94 HN LEU 94 8.263 -4.495 0.939 703 HA LEU 94 HA LEU 94 6.025 -2.753 0.171 704 1HB LEU 94 HB1 LEU 94 7.773 -0.838 0.655 705 2HB LEU 94 HB2 LEU 94 6.714 -1.450 1.910 706 HG LEU 94 HG LEU 94 9.330 -2.809 1.663 707 1HD1 LEU 94 HD1 LEU 94 9.044 0.094 2.265 708 2HD1 LEU 94 HD1 LEU 94 10.335 -0.764 1.424 709 3HD1 LEU 94 HD1 LEU 94 10.214 -0.858 3.180 710 1HD2 LEU 94 HD2 LEU 94 9.025 -2.179 4.248 711 2HD2 LEU 94 HD2 LEU 94 8.266 -3.587 3.504 712 3HD2 LEU 94 HD2 LEU 94 7.340 -2.103 3.732 713 H ILE 95 HN ILE 95 6.383 -1.463 -1.675 714 HA ILE 95 HA ILE 95 8.824 -2.044 -3.204 715 HB ILE 95 HB ILE 95 7.789 -2.782 -5.076 716 1HG1 ILE 95 HG1 ILE 95 5.146 -2.223 -5.288 717 2HG1 ILE 95 HG1 ILE 95 5.667 -0.833 -4.337 718 1HG2 ILE 95 HG2 ILE 95 7.139 -4.247 -3.150 719 2HG2 ILE 95 HG2 ILE 95 6.095 -4.367 -4.566 720 3HG2 ILE 95 HG2 ILE 95 5.567 -3.448 -3.157 721 1HD1 ILE 95 HD1 ILE 95 7.530 -0.690 -6.181 722 2HD1 ILE 95 HD1 ILE 95 5.922 -0.008 -6.440 723 3HD1 ILE 95 HD1 ILE 95 6.337 -1.581 -7.129 724 H GLN 96 HN GLN 96 9.292 -0.454 -4.887 725 HA GLN 96 HA GLN 96 7.828 2.038 -4.818 726 1HB GLN 96 HB1 GLN 96 9.723 3.407 -4.106 727 2HB GLN 96 HB2 GLN 96 9.275 2.261 -2.851 728 1HG GLN 96 HG2 GLN 96 11.178 0.888 -4.268 729 2HG GLN 96 HG1 GLN 96 11.768 2.548 -4.322 730 1HE2 GLN 96 HE2 GLN 96 12.829 3.301 -2.619 731 2HE2 GLN 96 HE2 GLN 96 12.909 2.544 -1.068 732 H LYS 97 HN LYS 97 8.595 3.588 -6.401 733 HA LYS 97 HA LYS 97 10.269 2.362 -8.492 734 1HB LYS 97 HB1 LYS 97 8.032 2.312 -9.320 735 2HB LYS 97 HB2 LYS 97 7.727 3.959 -8.785 736 1HG LYS 97 HG2 LYS 97 8.756 4.885 -10.577 737 2HG LYS 97 HG1 LYS 97 9.920 3.568 -10.730 738 1HD LYS 97 HD1 LYS 97 8.086 2.123 -11.584 739 2HD LYS 97 HD2 LYS 97 7.022 3.533 -11.560 740 1HE LYS 97 HE2 LYS 97 7.940 3.138 -13.793 741 2HE LYS 97 HE1 LYS 97 8.480 4.681 -13.132 742 1HZ LYS 97 HZ1 LYS 97 10.380 3.728 -14.047 743 2HZ LYS 97 HZ2 LYS 97 10.025 2.183 -13.456 744 3HZ LYS 97 HZ3 LYS 97 10.530 3.400 -12.395 Start of MODEL 3 1 1H MET 1 HT1 MET 1 -8.576 16.802 -27.542 2 2H MET 1 HT2 MET 1 -8.407 16.419 -29.206 3 3H MET 1 HT3 MET 1 -9.485 17.660 -28.716 4 HA MET 1 HA MET 1 -7.669 18.958 -27.914 5 1HB MET 1 HB2 MET 1 -6.321 16.409 -28.326 6 2HB MET 1 HB1 MET 1 -5.445 17.740 -29.070 7 1HG MET 1 HG2 MET 1 -6.361 18.362 -26.384 8 2HG MET 1 HG1 MET 1 -5.299 16.956 -26.439 9 1HE MET 1 HE1 MET 1 -2.307 17.557 -27.628 10 2HE MET 1 HE2 MET 1 -3.244 16.899 -26.286 11 3HE MET 1 HE3 MET 1 -2.151 18.256 -26.016 12 H GLY 2 HN GLY 2 -9.102 19.842 -29.659 13 1HA GLY 2 HA2 GLY 2 -8.199 19.550 -32.387 14 2HA GLY 2 HA1 GLY 2 -9.481 20.608 -31.818 15 H SER 3 HN SER 3 -7.642 21.757 -29.761 16 HA SER 3 HA SER 3 -6.483 23.782 -31.484 17 1HB SER 3 HB2 SER 3 -6.220 23.819 -28.498 18 2HB SER 3 HB1 SER 3 -6.425 25.166 -29.617 19 HG SER 3 HG SER 3 -8.305 23.671 -28.333 20 H SER 4 HN SER 4 -4.285 24.678 -30.736 21 HA SER 4 HA SER 4 -2.451 22.470 -30.093 22 1HB SER 4 HB1 SER 4 -2.616 23.203 -32.605 23 2HB SER 4 HB2 SER 4 -1.650 24.579 -32.072 24 HG SER 4 HG SER 4 -0.857 21.979 -31.372 25 H HIS 5 HN HIS 5 -0.236 23.303 -29.489 26 HA HIS 5 HA HIS 5 -0.546 25.308 -27.459 27 1HB HIS 5 HB2 HIS 5 1.506 23.339 -28.245 28 2HB HIS 5 HB1 HIS 5 2.135 24.817 -27.526 29 HD2 HIS 5 HD2 HIS 5 -0.366 21.938 -26.549 30 HE1 HIS 5 HE1 HIS 5 1.217 23.738 -23.060 31 HE2 HIS 5 HE2 HIS 5 -0.252 21.875 -23.957 32 H HIS 6 HN HIS 6 -0.812 27.328 -28.259 33 HA HIS 6 HA HIS 6 1.461 28.470 -29.706 34 1HB HIS 6 HB1 HIS 6 -1.167 28.045 -30.817 35 2HB HIS 6 HB2 HIS 6 -0.814 29.769 -30.740 36 HD2 HIS 6 HD2 HIS 6 0.766 30.706 -32.707 37 HE1 HIS 6 HE1 HIS 6 2.040 26.943 -34.173 38 HE2 HIS 6 HE2 HIS 6 2.093 29.451 -34.551 39 H HIS 7 HN HIS 7 -1.762 29.583 -28.658 40 HA HIS 7 HA HIS 7 -0.437 31.497 -26.863 41 1HB HIS 7 HB2 HIS 7 -2.458 32.062 -29.009 42 2HB HIS 7 HB1 HIS 7 -2.399 33.075 -27.569 43 HD2 HIS 7 HD2 HIS 7 0.399 34.071 -27.146 44 HE1 HIS 7 HE1 HIS 7 0.888 34.341 -31.342 45 HE2 HIS 7 HE2 HIS 7 1.805 35.061 -29.090 46 H HIS 8 HN HIS 8 -1.060 30.968 -24.882 47 HA HIS 8 HA HIS 8 -3.918 30.537 -24.379 48 1HB HIS 8 HB1 HIS 8 -1.670 28.811 -23.319 49 2HB HIS 8 HB2 HIS 8 -3.337 28.731 -22.759 50 HD2 HIS 8 HD2 HIS 8 -1.319 26.612 -24.795 51 HE1 HIS 8 HE1 HIS 8 -4.941 26.832 -26.977 52 HE2 HIS 8 HE2 HIS 8 -2.762 25.567 -26.681 53 H HIS 9 HN HIS 9 -4.165 30.386 -21.812 54 HA HIS 9 HA HIS 9 -2.690 32.697 -20.730 55 1HB HIS 9 HB1 HIS 9 -5.503 32.158 -20.915 56 2HB HIS 9 HB2 HIS 9 -5.046 32.262 -19.218 57 HD2 HIS 9 HD2 HIS 9 -5.502 34.516 -22.311 58 HE1 HIS 9 HE1 HIS 9 -4.264 36.928 -19.061 59 HE2 HIS 9 HE2 HIS 9 -5.142 36.933 -21.440 60 H HIS 10 HN HIS 10 -4.625 30.013 -19.396 61 HA HIS 10 HA HIS 10 -2.424 29.503 -17.503 62 1HB HIS 10 HB2 HIS 10 -5.409 29.370 -17.039 63 2HB HIS 10 HB1 HIS 10 -4.221 28.720 -15.914 64 HD2 HIS 10 HD2 HIS 10 -3.530 30.452 -14.007 65 HE1 HIS 10 HE1 HIS 10 -4.534 34.000 -16.085 66 HE2 HIS 10 HE2 HIS 10 -3.688 33.039 -13.896 67 H SER 11 HN SER 11 -2.381 28.224 -19.896 68 HA SER 11 HA SER 11 -3.044 25.469 -19.124 69 1HB SER 11 HB1 SER 11 -4.443 26.798 -21.074 70 2HB SER 11 HB2 SER 11 -3.191 25.991 -22.016 71 HG SER 11 HG SER 11 -3.857 24.065 -20.699 72 H SER 12 HN SER 12 -0.571 26.716 -18.779 73 HA SER 12 HA SER 12 1.066 25.337 -20.804 74 1HB SER 12 HB2 SER 12 1.791 27.859 -19.289 75 2HB SER 12 HB1 SER 12 2.796 27.043 -20.487 76 HG SER 12 HG SER 12 1.583 28.845 -21.320 77 H GLY 13 HN GLY 13 0.446 23.665 -18.985 78 1HA GLY 13 HA2 GLY 13 1.828 23.776 -16.515 79 2HA GLY 13 HA1 GLY 13 1.158 22.330 -17.257 80 H LEU 14 HN LEU 14 3.691 22.716 -15.816 81 HA LEU 14 HA LEU 14 5.461 21.654 -17.902 82 1HB LEU 14 HB1 LEU 14 6.177 23.746 -15.849 83 2HB LEU 14 HB2 LEU 14 7.365 22.859 -16.786 84 HG LEU 14 HG LEU 14 5.211 24.472 -18.127 85 1HD1 LEU 14 HD1 LEU 14 6.956 26.268 -18.321 86 2HD1 LEU 14 HD1 LEU 14 7.863 25.422 -17.068 87 3HD1 LEU 14 HD1 LEU 14 6.259 26.064 -16.714 88 1HD2 LEU 14 HD2 LEU 14 7.211 22.747 -19.040 89 2HD2 LEU 14 HD2 LEU 14 7.790 24.375 -19.395 90 3HD2 LEU 14 HD2 LEU 14 6.221 23.846 -20.001 91 H VAL 15 HN VAL 15 7.274 20.395 -17.033 92 HA VAL 15 HA VAL 15 6.395 18.843 -14.727 93 HB VAL 15 HB VAL 15 8.729 18.211 -16.522 94 1HG1 VAL 15 HG2 VAL 15 8.648 16.061 -15.636 95 2HG1 VAL 15 HG2 VAL 15 7.003 16.265 -15.036 96 3HG1 VAL 15 HG2 VAL 15 8.343 17.086 -14.234 97 1HG2 VAL 15 HG1 VAL 15 7.009 18.288 -18.074 98 2HG2 VAL 15 HG1 VAL 15 5.803 17.727 -16.916 99 3HG2 VAL 15 HG1 VAL 15 6.993 16.599 -17.566 100 HA PRO 16 HA PRO 16 11.063 19.993 -13.588 101 1HB PRO 16 HB2 PRO 16 11.136 22.637 -14.948 102 2HB PRO 16 HB1 PRO 16 12.422 21.446 -14.730 103 1HG PRO 16 HG2 PRO 16 11.241 21.755 -17.098 104 2HG PRO 16 HG1 PRO 16 11.701 20.146 -16.510 105 1HD PRO 16 HD1 PRO 16 9.006 21.433 -16.615 106 2HD PRO 16 HD2 PRO 16 9.461 19.741 -16.902 107 H ARG 17 HN ARG 17 8.325 22.113 -13.919 108 HA ARG 17 HA ARG 17 8.955 23.969 -11.892 109 1HB ARG 17 HB2 ARG 17 6.631 23.271 -13.511 110 2HB ARG 17 HB1 ARG 17 6.188 23.772 -11.885 111 1HG ARG 17 HG2 ARG 17 8.140 25.587 -12.848 112 2HG ARG 17 HG1 ARG 17 6.915 25.381 -14.102 113 1HD ARG 17 HD1 ARG 17 5.579 26.749 -12.977 114 2HD ARG 17 HD2 ARG 17 5.532 25.576 -11.661 115 HE ARG 17 HE ARG 17 6.947 26.917 -10.457 116 1HH1 ARG 17 HH1 ARG 17 6.957 27.943 -13.788 117 2HH1 ARG 17 HH1 ARG 17 7.877 29.376 -13.478 118 1HH2 ARG 17 HH2 ARG 17 8.160 28.802 -10.041 119 2HH2 ARG 17 HH2 ARG 17 8.561 29.865 -11.348 120 H GLY 18 HN GLY 18 7.623 24.169 -9.841 121 1HA GLY 18 HA2 GLY 18 8.125 21.881 -8.223 122 2HA GLY 18 HA1 GLY 18 7.323 23.357 -7.708 123 H SER 19 HN SER 19 6.937 20.089 -8.558 124 HA SER 19 HA SER 19 4.034 20.344 -8.192 125 1HB SER 19 HB1 SER 19 5.008 19.855 -10.646 126 2HB SER 19 HB2 SER 19 4.986 18.204 -10.026 127 HG SER 19 HG SER 19 2.744 18.644 -9.443 128 H HIS 20 HN HIS 20 4.251 19.668 -6.052 129 HA HIS 20 HA HIS 20 4.751 16.795 -5.754 130 1HB HIS 20 HB2 HIS 20 6.124 19.021 -4.325 131 2HB HIS 20 HB1 HIS 20 5.715 17.583 -3.394 132 HD2 HIS 20 HD2 HIS 20 8.785 18.679 -4.621 133 HE1 HIS 20 HE1 HIS 20 8.606 14.775 -6.248 134 HE2 HIS 20 HE2 HIS 20 10.122 16.734 -5.699 135 H MET 21 HN MET 21 2.426 18.789 -5.785 136 HA MET 21 HA MET 21 1.306 18.297 -3.127 137 1HB MET 21 HB1 MET 21 0.966 20.338 -5.167 138 2HB MET 21 HB2 MET 21 -0.580 19.698 -4.629 139 1HG MET 21 HG2 MET 21 -0.064 20.244 -2.343 140 2HG MET 21 HG1 MET 21 1.557 20.763 -2.800 141 1HE MET 21 HE1 MET 21 -2.286 23.151 -2.940 142 2HE MET 21 HE2 MET 21 -1.665 22.124 -1.647 143 3HE MET 21 HE3 MET 21 -2.244 21.400 -3.147 144 H LYS 22 HN LYS 22 0.278 18.008 -6.531 145 HA LYS 22 HA LYS 22 -1.815 16.147 -5.799 146 1HB LYS 22 HB1 LYS 22 -1.865 17.960 -7.671 147 2HB LYS 22 HB2 LYS 22 -1.001 16.762 -8.624 148 1HG LYS 22 HG1 LYS 22 -2.798 15.327 -8.706 149 2HG LYS 22 HG2 LYS 22 -3.529 15.991 -7.243 150 1HD LYS 22 HD2 LYS 22 -3.427 18.120 -9.049 151 2HD LYS 22 HD1 LYS 22 -3.947 16.727 -9.999 152 1HE LYS 22 HE2 LYS 22 -5.971 17.456 -9.229 153 2HE LYS 22 HE1 LYS 22 -5.537 16.339 -7.936 154 1HZ LYS 22 HZ1 LYS 22 -4.740 18.190 -6.628 155 2HZ LYS 22 HZ2 LYS 22 -6.346 18.463 -7.084 156 3HZ LYS 22 HZ3 LYS 22 -5.091 19.275 -7.878 157 H ASN 23 HN ASN 23 1.455 16.015 -6.786 158 HA ASN 23 HA ASN 23 1.487 13.530 -8.117 159 1HB ASN 23 HB2 ASN 23 3.392 14.960 -8.328 160 2HB ASN 23 HB1 ASN 23 3.610 15.034 -6.582 161 1HD2 ASN 23 HD2 ASN 23 3.390 12.593 -9.151 162 2HD2 ASN 23 HD2 ASN 23 4.696 11.622 -8.571 163 H ILE 24 HN ILE 24 0.599 11.778 -7.206 164 HA ILE 24 HA ILE 24 0.913 11.272 -4.359 165 HB ILE 24 HB ILE 24 -1.274 10.914 -5.518 166 1HG1 ILE 24 HG1 ILE 24 -0.699 8.212 -4.554 167 2HG1 ILE 24 HG1 ILE 24 -0.074 9.468 -3.488 168 1HG2 ILE 24 HG2 ILE 24 -1.452 9.658 -7.339 169 2HG2 ILE 24 HG2 ILE 24 -0.707 8.284 -6.521 170 3HG2 ILE 24 HG2 ILE 24 0.303 9.479 -7.333 171 1HD1 ILE 24 HD1 ILE 24 -2.514 10.445 -3.858 172 2HD1 ILE 24 HD1 ILE 24 -2.143 9.259 -2.607 173 3HD1 ILE 24 HD1 ILE 24 -2.863 8.736 -4.130 174 H VAL 25 HN VAL 25 1.923 9.466 -3.480 175 HA VAL 25 HA VAL 25 3.790 8.095 -5.298 176 HB VAL 25 HB VAL 25 4.327 8.208 -2.368 177 1HG1 VAL 25 HG1 VAL 25 5.642 7.214 -4.604 178 2HG1 VAL 25 HG1 VAL 25 6.313 7.415 -2.985 179 3HG1 VAL 25 HG1 VAL 25 6.521 8.686 -4.191 180 1HG2 VAL 25 HG2 VAL 25 3.719 10.539 -3.277 181 2HG2 VAL 25 HG2 VAL 25 5.244 10.432 -4.156 182 3HG2 VAL 25 HG2 VAL 25 5.234 10.354 -2.395 183 HA PRO 26 HA PRO 26 2.349 4.728 -2.044 184 1HB PRO 26 HB2 PRO 26 -0.097 5.286 -0.909 185 2HB PRO 26 HB1 PRO 26 1.459 5.554 -0.117 186 1HG PRO 26 HG1 PRO 26 -0.294 7.499 -1.562 187 2HG PRO 26 HG2 PRO 26 0.616 7.714 -0.054 188 1HD PRO 26 HD2 PRO 26 1.507 8.707 -2.378 189 2HD PRO 26 HD1 PRO 26 2.624 8.045 -1.167 190 H ASP 27 HN ASP 27 2.024 3.618 -3.955 191 HA ASP 27 HA ASP 27 -0.177 3.958 -5.678 192 1HB ASP 27 HB1 ASP 27 1.867 2.856 -6.419 193 2HB ASP 27 HB2 ASP 27 1.607 1.548 -5.270 194 H TYR 28 HN TYR 28 0.401 0.925 -3.880 195 HA TYR 28 HA TYR 28 -2.418 1.004 -3.029 196 1HB TYR 28 HB1 TYR 28 -1.116 -0.994 -4.784 197 2HB TYR 28 HB2 TYR 28 -2.164 -1.637 -3.523 198 HD1 TYR 28 HD1 TYR 28 -2.023 -0.081 -6.752 199 HD2 TYR 28 HD2 TYR 28 -4.563 -0.811 -3.416 200 HE1 TYR 28 HE1 TYR 28 -3.989 0.388 -8.153 201 HE2 TYR 28 HE2 TYR 28 -6.535 -0.344 -4.808 202 HH TYR 28 HH TYR 28 -6.220 0.353 -8.269 203 H ARG 29 HN ARG 29 -2.913 -0.697 -1.369 204 HA ARG 29 HA ARG 29 -0.572 -1.358 0.270 205 1HB ARG 29 HB1 ARG 29 -2.042 -0.745 2.290 206 2HB ARG 29 HB2 ARG 29 -1.313 0.568 1.376 207 1HG ARG 29 HG1 ARG 29 -3.295 1.359 0.672 208 2HG ARG 29 HG2 ARG 29 -3.997 -0.250 0.493 209 1HD ARG 29 HD2 ARG 29 -4.225 -0.394 2.942 210 2HD ARG 29 HD1 ARG 29 -3.586 1.243 3.082 211 HE ARG 29 HE ARG 29 -6.168 0.519 1.867 212 1HH1 ARG 29 HH2 ARG 29 -4.023 2.854 3.314 213 2HH1 ARG 29 HH2 ARG 29 -5.231 4.091 3.416 214 1HH2 ARG 29 HH1 ARG 29 -7.764 2.143 2.000 215 2HH2 ARG 29 HH1 ARG 29 -7.356 3.688 2.670 216 H LEU 30 HN LEU 30 -0.618 -3.315 1.208 217 HA LEU 30 HA LEU 30 -3.138 -4.836 1.166 218 1HB LEU 30 HB1 LEU 30 -1.168 -5.403 -0.529 219 2HB LEU 30 HB2 LEU 30 -0.522 -6.243 0.866 220 HG LEU 30 HG LEU 30 -1.839 -7.669 -0.735 221 1HD1 LEU 30 HD2 LEU 30 -3.085 -7.592 2.001 222 2HD1 LEU 30 HD2 LEU 30 -1.440 -8.165 1.718 223 3HD1 LEU 30 HD2 LEU 30 -2.802 -8.989 0.961 224 1HD2 LEU 30 HD1 LEU 30 -3.769 -5.598 -0.312 225 2HD2 LEU 30 HD1 LEU 30 -4.439 -7.146 0.202 226 3HD2 LEU 30 HD1 LEU 30 -3.816 -6.954 -1.437 227 H ASP 31 HN ASP 31 -3.275 -4.006 3.399 228 HA ASP 31 HA ASP 31 -1.398 -5.281 5.259 229 1HB ASP 31 HB1 ASP 31 -3.451 -3.370 6.244 230 2HB ASP 31 HB2 ASP 31 -1.770 -3.564 6.727 231 H MET 32 HN MET 32 -2.612 -7.323 4.641 232 HA MET 32 HA MET 32 -4.714 -7.754 6.625 233 1HB MET 32 HB1 MET 32 -4.930 -8.486 3.706 234 2HB MET 32 HB2 MET 32 -5.941 -9.207 4.952 235 1HG MET 32 HG1 MET 32 -7.242 -7.399 5.120 236 2HG MET 32 HG2 MET 32 -5.884 -6.284 4.992 237 1HE MET 32 HE1 MET 32 -7.544 -4.692 2.029 238 2HE MET 32 HE2 MET 32 -6.228 -4.511 3.190 239 3HE MET 32 HE3 MET 32 -7.861 -4.861 3.756 240 H VAL 33 HN VAL 33 -4.300 -10.247 4.340 241 HA VAL 33 HA VAL 33 -2.305 -11.611 6.007 242 HB VAL 33 HB VAL 33 -4.588 -12.365 6.641 243 1HG1 VAL 33 HG2 VAL 33 -5.747 -12.128 4.553 244 2HG1 VAL 33 HG2 VAL 33 -5.811 -13.820 5.044 245 3HG1 VAL 33 HG2 VAL 33 -4.690 -13.310 3.782 246 1HG2 VAL 33 HG1 VAL 33 -3.570 -14.797 5.401 247 2HG2 VAL 33 HG1 VAL 33 -3.757 -14.386 7.105 248 3HG2 VAL 33 HG1 VAL 33 -2.325 -13.858 6.224 249 H GLY 34 HN GLY 34 -0.915 -12.977 4.919 250 1HA GLY 34 HA2 GLY 34 -0.447 -12.467 2.191 251 2HA GLY 34 HA1 GLY 34 0.287 -13.765 3.122 252 H GLU 35 HN GLU 35 -2.576 -14.689 3.723 253 HA GLU 35 HA GLU 35 -2.728 -16.713 1.793 254 1HB GLU 35 HB1 GLU 35 -3.855 -17.304 3.702 255 2HB GLU 35 HB2 GLU 35 -4.493 -15.687 3.957 256 1HG GLU 35 HG2 GLU 35 -6.078 -16.078 2.089 257 2HG GLU 35 HG1 GLU 35 -5.497 -17.740 2.001 258 HA PRO 36 HA PRO 36 -4.499 -14.858 -1.803 259 1HB PRO 36 HB2 PRO 36 -6.322 -16.866 -2.450 260 2HB PRO 36 HB1 PRO 36 -4.630 -16.808 -2.951 261 1HG PRO 36 HG2 PRO 36 -5.890 -18.300 -0.693 262 2HG PRO 36 HG1 PRO 36 -4.576 -18.797 -1.776 263 1HD PRO 36 HD2 PRO 36 -4.076 -17.998 0.725 264 2HD PRO 36 HD1 PRO 36 -2.984 -17.569 -0.609 265 H CYS 37 HN CYS 37 -5.568 -13.147 -0.740 266 HA CYS 37 HA CYS 37 -8.278 -13.563 0.226 267 1HB CYS 37 HB2 CYS 37 -8.009 -11.616 1.366 268 2HB CYS 37 HB1 CYS 37 -6.302 -11.895 1.048 269 HG CYS 37 HG CYS 37 -6.811 -9.472 0.348 270 HA PRO 38 HA PRO 38 -10.725 -12.271 -3.213 271 1HB PRO 38 HB1 PRO 38 -11.357 -9.719 -1.795 272 2HB PRO 38 HB2 PRO 38 -12.446 -10.872 -2.575 273 1HG PRO 38 HG2 PRO 38 -12.212 -10.809 0.075 274 2HG PRO 38 HG1 PRO 38 -12.367 -12.351 -0.787 275 1HD PRO 38 HD2 PRO 38 -9.966 -11.112 0.466 276 2HD PRO 38 HD1 PRO 38 -10.400 -12.825 0.305 277 H TYR 39 HN TYR 39 -9.301 -9.268 -1.881 278 HA TYR 39 HA TYR 39 -8.237 -8.704 -4.571 279 1HB TYR 39 HB1 TYR 39 -9.462 -6.807 -2.567 280 2HB TYR 39 HB2 TYR 39 -8.483 -6.255 -3.922 281 HD1 TYR 39 HD1 TYR 39 -9.247 -7.038 -6.283 282 HD2 TYR 39 HD2 TYR 39 -11.751 -7.085 -2.844 283 HE1 TYR 39 HE1 TYR 39 -11.230 -7.070 -7.736 284 HE2 TYR 39 HE2 TYR 39 -13.743 -7.118 -4.287 285 HH TYR 39 HH TYR 39 -13.493 -6.752 -7.769 286 HA PRO 40 HA PRO 40 -4.683 -8.564 -1.661 287 1HB PRO 40 HB1 PRO 40 -3.287 -10.645 -2.557 288 2HB PRO 40 HB2 PRO 40 -4.720 -10.891 -1.553 289 1HG PRO 40 HG2 PRO 40 -4.378 -11.237 -4.491 290 2HG PRO 40 HG1 PRO 40 -5.386 -12.156 -3.363 291 1HD PRO 40 HD2 PRO 40 -6.223 -10.051 -5.056 292 2HD PRO 40 HD1 PRO 40 -7.162 -10.801 -3.750 293 H ALA 41 HN ALA 41 -2.414 -9.831 -3.403 294 HA ALA 41 HA ALA 41 -1.223 -7.489 -4.293 295 1HB ALA 41 HB1 ALA 41 0.492 -8.875 -4.437 296 2HB ALA 41 HB2 ALA 41 -0.219 -9.596 -5.879 297 3HB ALA 41 HB3 ALA 41 -0.592 -10.260 -4.289 298 H VAL 42 HN VAL 42 -3.911 -8.895 -5.630 299 HA VAL 42 HA VAL 42 -3.556 -8.855 -8.374 300 HB VAL 42 HB VAL 42 -5.660 -9.451 -6.999 301 1HG1 VAL 42 HG2 VAL 42 -7.382 -7.684 -6.976 302 2HG1 VAL 42 HG2 VAL 42 -6.160 -6.519 -7.483 303 3HG1 VAL 42 HG2 VAL 42 -6.017 -7.323 -5.920 304 1HG2 VAL 42 HG1 VAL 42 -5.597 -9.763 -9.365 305 2HG2 VAL 42 HG1 VAL 42 -5.793 -8.034 -9.654 306 3HG2 VAL 42 HG1 VAL 42 -7.121 -8.971 -8.968 307 H ALA 43 HN ALA 43 -3.702 -6.261 -6.099 308 HA ALA 43 HA ALA 43 -4.142 -4.152 -7.996 309 1HB ALA 43 HB1 ALA 43 -4.747 -3.331 -5.986 310 2HB ALA 43 HB2 ALA 43 -3.043 -2.884 -5.888 311 3HB ALA 43 HB3 ALA 43 -3.614 -4.358 -5.105 312 H THR 44 HN THR 44 -1.357 -5.629 -6.416 313 HA THR 44 HA THR 44 0.648 -3.882 -7.230 314 HB THR 44 HB THR 44 1.244 -6.796 -7.206 315 HG1 THR 44 HG1 THR 44 -0.423 -6.353 -5.580 316 1HG2 THR 44 HG2 THR 44 2.839 -5.738 -5.356 317 2HG2 THR 44 HG2 THR 44 2.550 -4.302 -6.339 318 3HG2 THR 44 HG2 THR 44 3.232 -5.751 -7.076 319 H LEU 45 HN LEU 45 -0.418 -6.893 -8.812 320 HA LEU 45 HA LEU 45 1.243 -6.669 -11.058 321 1HB LEU 45 HB1 LEU 45 -1.253 -8.179 -10.428 322 2HB LEU 45 HB2 LEU 45 -0.709 -8.119 -12.093 323 HG LEU 45 HG LEU 45 0.946 -9.129 -9.778 324 1HD1 LEU 45 HD1 LEU 45 0.087 -11.161 -10.064 325 2HD1 LEU 45 HD1 LEU 45 0.195 -11.044 -11.820 326 3HD1 LEU 45 HD1 LEU 45 -1.203 -10.379 -10.977 327 1HD2 LEU 45 HD2 LEU 45 2.612 -8.703 -11.216 328 2HD2 LEU 45 HD2 LEU 45 1.519 -8.545 -12.591 329 3HD2 LEU 45 HD2 LEU 45 2.031 -10.144 -12.051 330 H GLU 46 HN GLU 46 -2.170 -5.733 -10.634 331 HA GLU 46 HA GLU 46 -2.483 -4.694 -13.243 332 1HB GLU 46 HB1 GLU 46 -4.573 -3.880 -12.533 333 2HB GLU 46 HB2 GLU 46 -4.312 -5.332 -11.577 334 1HG GLU 46 HG2 GLU 46 -3.893 -4.127 -9.632 335 2HG GLU 46 HG1 GLU 46 -3.581 -2.632 -10.515 336 H ALA 47 HN ALA 47 -0.873 -3.511 -10.491 337 HA ALA 47 HA ALA 47 -1.096 -0.711 -11.041 338 1HB ALA 47 HB1 ALA 47 -0.224 -0.558 -9.008 339 2HB ALA 47 HB2 ALA 47 1.275 -1.300 -9.569 340 3HB ALA 47 HB3 ALA 47 -0.040 -2.311 -8.970 341 H MET 48 HN MET 48 1.000 -3.298 -12.069 342 HA MET 48 HA MET 48 3.247 -1.955 -12.908 343 1HB MET 48 HB2 MET 48 1.887 -4.446 -13.754 344 2HB MET 48 HB1 MET 48 3.064 -3.782 -14.879 345 1HG MET 48 HG1 MET 48 4.103 -3.792 -12.194 346 2HG MET 48 HG2 MET 48 3.560 -5.400 -12.672 347 1HE MET 48 HE1 MET 48 4.923 -2.356 -14.384 348 2HE MET 48 HE2 MET 48 6.325 -2.901 -15.306 349 3HE MET 48 HE3 MET 48 6.476 -2.582 -13.578 350 HA PRO 49 HA PRO 49 1.232 -0.921 -17.164 351 1HB PRO 49 HB2 PRO 49 -1.464 -1.106 -17.383 352 2HB PRO 49 HB1 PRO 49 -0.379 -2.443 -17.777 353 1HG PRO 49 HG1 PRO 49 -1.973 -1.963 -15.290 354 2HG PRO 49 HG2 PRO 49 -1.723 -3.473 -16.184 355 1HD PRO 49 HD1 PRO 49 -0.357 -2.861 -13.922 356 2HD PRO 49 HD2 PRO 49 0.335 -3.847 -15.224 357 H GLN 50 HN GLN 50 -0.792 -0.350 -14.323 358 HA GLN 50 HA GLN 50 -1.595 2.282 -15.091 359 1HB GLN 50 HB2 GLN 50 -2.039 0.465 -12.854 360 2HB GLN 50 HB1 GLN 50 -1.865 2.135 -12.333 361 1HG GLN 50 HG1 GLN 50 -3.557 2.308 -14.504 362 2HG GLN 50 HG2 GLN 50 -4.065 0.828 -13.692 363 1HE2 GLN 50 HE2 GLN 50 -4.497 4.088 -13.832 364 2HE2 GLN 50 HE2 GLN 50 -5.184 4.355 -12.270 365 H LEU 51 HN LEU 51 1.384 1.253 -14.460 366 HA LEU 51 HA LEU 51 2.515 2.720 -12.455 367 1HB LEU 51 HB2 LEU 51 4.532 2.251 -13.419 368 2HB LEU 51 HB1 LEU 51 3.522 1.088 -14.245 369 HG LEU 51 HG LEU 51 3.526 3.503 -15.767 370 1HD1 LEU 51 HD1 LEU 51 5.876 3.328 -14.328 371 2HD1 LEU 51 HD1 LEU 51 5.624 4.244 -15.813 372 3HD1 LEU 51 HD1 LEU 51 6.281 2.609 -15.885 373 1HD2 LEU 51 HD2 LEU 51 3.286 0.964 -16.345 374 2HD2 LEU 51 HD2 LEU 51 5.035 1.056 -16.548 375 3HD2 LEU 51 HD2 LEU 51 3.980 2.087 -17.514 376 H LYS 52 HN LYS 52 3.850 4.678 -12.533 377 HA LYS 52 HA LYS 52 2.844 6.697 -14.415 378 1HB LYS 52 HB2 LYS 52 2.993 6.868 -11.414 379 2HB LYS 52 HB1 LYS 52 3.001 8.315 -12.414 380 1HG LYS 52 HG1 LYS 52 0.854 6.286 -12.803 381 2HG LYS 52 HG2 LYS 52 0.771 7.390 -11.429 382 1HD LYS 52 HD2 LYS 52 1.384 8.620 -14.040 383 2HD LYS 52 HD1 LYS 52 -0.240 7.953 -13.862 384 1HE LYS 52 HE2 LYS 52 -0.748 9.366 -12.066 385 2HE LYS 52 HE1 LYS 52 0.947 9.758 -11.783 386 1HZ LYS 52 HZ1 LYS 52 -0.097 10.481 -14.393 387 2HZ LYS 52 HZ2 LYS 52 0.937 11.337 -13.364 388 3HZ LYS 52 HZ3 LYS 52 -0.731 11.350 -13.089 389 H LYS 53 HN LYS 53 4.897 7.484 -11.714 390 HA LYS 53 HA LYS 53 7.286 7.400 -13.398 391 1HB LYS 53 HB2 LYS 53 7.581 9.803 -12.051 392 2HB LYS 53 HB1 LYS 53 7.202 9.609 -13.757 393 1HG LYS 53 HG2 LYS 53 4.740 9.476 -12.899 394 2HG LYS 53 HG1 LYS 53 5.405 10.294 -11.483 395 1HD LYS 53 HD2 LYS 53 5.592 12.240 -12.568 396 2HD LYS 53 HD1 LYS 53 6.301 11.472 -13.990 397 1HE LYS 53 HE1 LYS 53 3.481 10.851 -13.692 398 2HE LYS 53 HE2 LYS 53 3.774 12.586 -13.806 399 1HZ LYS 53 HZ1 LYS 53 4.419 10.477 -15.768 400 2HZ LYS 53 HZ2 LYS 53 5.220 11.967 -15.801 401 3HZ LYS 53 HZ3 LYS 53 3.542 11.905 -15.997 402 H GLY 54 HN GLY 54 5.751 7.083 -10.400 403 1HA GLY 54 HA2 GLY 54 7.935 5.840 -9.156 404 2HA GLY 54 HA1 GLY 54 7.872 7.508 -8.602 405 H GLU 55 HN GLU 55 6.313 4.398 -8.549 406 HA GLU 55 HA GLU 55 4.251 5.400 -6.731 407 1HB GLU 55 HB2 GLU 55 3.520 2.881 -6.973 408 2HB GLU 55 HB1 GLU 55 3.144 4.058 -8.224 409 1HG GLU 55 HG1 GLU 55 5.708 2.938 -8.756 410 2HG GLU 55 HG2 GLU 55 4.560 1.634 -8.456 411 H ILE 56 HN ILE 56 3.649 3.417 -5.130 412 HA ILE 56 HA ILE 56 5.925 2.193 -3.881 413 HB ILE 56 HB ILE 56 4.782 4.710 -2.789 414 1HG1 ILE 56 HG1 ILE 56 7.467 3.372 -2.394 415 2HG1 ILE 56 HG1 ILE 56 7.098 4.476 -3.716 416 1HG2 ILE 56 HG2 ILE 56 5.618 2.432 -1.000 417 2HG2 ILE 56 HG2 ILE 56 4.003 3.135 -1.121 418 3HG2 ILE 56 HG2 ILE 56 5.337 4.093 -0.476 419 1HD1 ILE 56 HD1 ILE 56 7.089 5.133 -0.782 420 2HD1 ILE 56 HD1 ILE 56 6.629 6.243 -2.073 421 3HD1 ILE 56 HD1 ILE 56 8.284 5.638 -1.977 422 H LEU 57 HN LEU 57 5.287 0.742 -2.149 423 HA LEU 57 HA LEU 57 2.395 0.343 -1.878 424 1HB LEU 57 HB2 LEU 57 3.884 -1.247 -3.496 425 2HB LEU 57 HB1 LEU 57 3.970 -2.130 -1.999 426 HG LEU 57 HG LEU 57 1.361 -1.812 -2.021 427 1HD1 LEU 57 HD2 LEU 57 0.514 -0.883 -3.842 428 2HD1 LEU 57 HD2 LEU 57 1.186 -2.197 -4.809 429 3HD1 LEU 57 HD2 LEU 57 2.125 -0.728 -4.543 430 1HD2 LEU 57 HD1 LEU 57 1.815 -4.005 -2.065 431 2HD2 LEU 57 HD1 LEU 57 3.152 -3.808 -3.198 432 3HD2 LEU 57 HD1 LEU 57 1.493 -3.870 -3.794 433 H GLU 58 HN GLU 58 1.781 -0.896 -0.056 434 HA GLU 58 HA GLU 58 3.881 -1.443 1.847 435 1HB GLU 58 HB2 GLU 58 1.425 -0.060 2.881 436 2HB GLU 58 HB1 GLU 58 3.020 -0.168 3.612 437 1HG GLU 58 HG1 GLU 58 3.903 1.482 2.193 438 2HG GLU 58 HG2 GLU 58 2.522 1.395 1.098 439 H VAL 59 HN VAL 59 3.627 -3.485 2.423 440 HA VAL 59 HA VAL 59 0.905 -4.608 2.503 441 HB VAL 59 HB VAL 59 3.474 -6.063 1.880 442 1HG1 VAL 59 HG2 VAL 59 1.622 -7.349 3.024 443 2HG1 VAL 59 HG2 VAL 59 2.153 -7.981 1.465 444 3HG1 VAL 59 HG2 VAL 59 0.653 -7.062 1.579 445 1HG2 VAL 59 HG1 VAL 59 3.232 -5.406 -0.225 446 2HG2 VAL 59 HG1 VAL 59 1.823 -4.445 0.227 447 3HG2 VAL 59 HG1 VAL 59 1.623 -6.127 -0.266 448 H VAL 60 HN VAL 60 0.259 -4.951 4.511 449 HA VAL 60 HA VAL 60 2.207 -6.009 6.451 450 HB VAL 60 HB VAL 60 -0.162 -4.214 6.987 451 1HG1 VAL 60 HG1 VAL 60 1.588 -5.792 8.848 452 2HG1 VAL 60 HG1 VAL 60 -0.173 -5.705 8.794 453 3HG1 VAL 60 HG1 VAL 60 0.760 -4.326 9.374 454 1HG2 VAL 60 HG2 VAL 60 1.926 -3.001 8.141 455 2HG2 VAL 60 HG2 VAL 60 1.453 -2.713 6.466 456 3HG2 VAL 60 HG2 VAL 60 2.765 -3.834 6.831 457 H SER 61 HN SER 61 1.780 -8.150 6.037 458 HA SER 61 HA SER 61 -0.896 -9.064 6.824 459 1HB SER 61 HB1 SER 61 -0.704 -10.846 5.058 460 2HB SER 61 HB2 SER 61 -0.867 -9.210 4.421 461 HG SER 61 HG SER 61 1.254 -10.966 4.267 462 H ASP 62 HN ASP 62 -0.917 -11.446 7.277 463 HA ASP 62 HA ASP 62 1.602 -12.236 8.604 464 1HB ASP 62 HB1 ASP 62 -0.541 -13.660 9.767 465 2HB ASP 62 HB2 ASP 62 0.434 -12.392 10.505 466 H CYS 63 HN CYS 63 2.545 -13.929 7.695 467 HA CYS 63 HA CYS 63 0.879 -16.081 6.605 468 1HB CYS 63 HB2 CYS 63 1.474 -14.775 4.668 469 2HB CYS 63 HB1 CYS 63 3.161 -14.712 5.168 470 HG CYS 63 HG CYS 63 2.873 -16.518 3.304 471 HA PRO 64 HA PRO 64 3.651 -18.388 9.262 472 1HB PRO 64 HB2 PRO 64 2.557 -20.670 7.713 473 2HB PRO 64 HB1 PRO 64 2.611 -20.417 9.461 474 1HG PRO 64 HG1 PRO 64 0.323 -20.175 8.109 475 2HG PRO 64 HG2 PRO 64 0.710 -19.093 9.460 476 1HD PRO 64 HD2 PRO 64 0.844 -18.579 6.516 477 2HD PRO 64 HD1 PRO 64 0.324 -17.499 7.827 478 H GLN 65 HN GLN 65 3.465 -18.618 5.780 479 HA GLN 65 HA GLN 65 5.974 -20.067 5.584 480 1HB GLN 65 HB2 GLN 65 3.895 -19.145 3.639 481 2HB GLN 65 HB1 GLN 65 5.509 -19.519 3.049 482 1HG GLN 65 HG2 GLN 65 3.993 -21.467 4.740 483 2HG GLN 65 HG1 GLN 65 3.721 -21.356 3.001 484 1HE2 GLN 65 HE2 GLN 65 4.606 -23.683 4.098 485 2HE2 GLN 65 HE2 GLN 65 6.244 -23.971 3.633 486 H SER 66 HN SER 66 7.692 -19.219 4.128 487 HA SER 66 HA SER 66 8.275 -16.458 4.848 488 1HB SER 66 HB2 SER 66 10.089 -18.363 3.366 489 2HB SER 66 HB1 SER 66 10.543 -16.944 4.311 490 HG SER 66 HG SER 66 9.221 -18.484 5.951 491 H ILE 67 HN ILE 67 7.317 -18.325 2.125 492 HA ILE 67 HA ILE 67 8.302 -16.826 -0.002 493 HB ILE 67 HB ILE 67 5.625 -18.213 0.116 494 1HG1 ILE 67 HG1 ILE 67 7.452 -19.708 0.804 495 2HG1 ILE 67 HG1 ILE 67 6.799 -20.181 -0.761 496 1HG2 ILE 67 HG2 ILE 67 6.138 -18.524 -2.363 497 2HG2 ILE 67 HG2 ILE 67 7.353 -17.263 -2.147 498 3HG2 ILE 67 HG2 ILE 67 5.653 -16.913 -1.833 499 1HD1 ILE 67 HD1 ILE 67 8.800 -18.602 -1.576 500 2HD1 ILE 67 HD1 ILE 67 8.980 -20.332 -1.281 501 3HD1 ILE 67 HD1 ILE 67 9.470 -19.171 -0.048 502 H ASN 68 HN ASN 68 8.022 -14.769 -0.504 503 HA ASN 68 HA ASN 68 6.022 -13.141 0.722 504 1HB ASN 68 HB2 ASN 68 6.996 -11.613 -1.338 505 2HB ASN 68 HB1 ASN 68 7.718 -11.721 0.265 506 1HD2 ASN 68 HD2 ASN 68 7.689 -13.626 -2.735 507 2HD2 ASN 68 HD2 ASN 68 9.394 -13.893 -2.778 508 H ASN 69 HN ASN 69 3.971 -13.008 0.127 509 HA ASN 69 HA ASN 69 3.017 -14.150 -2.301 510 1HB ASN 69 HB1 ASN 69 1.817 -12.829 0.070 511 2HB ASN 69 HB2 ASN 69 0.862 -12.817 -1.411 512 1HD2 ASN 69 HD2 ASN 69 2.486 -14.873 0.919 513 2HD2 ASN 69 HD2 ASN 69 1.549 -16.289 0.604 514 H ILE 70 HN ILE 70 2.267 -10.873 -1.149 515 HA ILE 70 HA ILE 70 1.516 -9.812 -3.551 516 HB ILE 70 HB ILE 70 3.026 -8.105 -1.599 517 1HG1 ILE 70 HG1 ILE 70 1.607 -9.457 -0.195 518 2HG1 ILE 70 HG1 ILE 70 0.857 -7.869 -0.351 519 1HG2 ILE 70 HG2 ILE 70 2.183 -7.118 -3.705 520 2HG2 ILE 70 HG2 ILE 70 1.453 -6.406 -2.266 521 3HG2 ILE 70 HG2 ILE 70 0.545 -7.571 -3.230 522 1HD1 ILE 70 HD1 ILE 70 -0.062 -9.751 -2.365 523 2HD1 ILE 70 HD1 ILE 70 -0.977 -8.721 -1.267 524 3HD1 ILE 70 HD1 ILE 70 -0.381 -10.286 -0.716 525 HA PRO 71 HA PRO 71 6.098 -8.189 -4.317 526 1HB PRO 71 HB2 PRO 71 7.538 -10.417 -2.967 527 2HB PRO 71 HB1 PRO 71 7.965 -8.705 -3.086 528 1HG PRO 71 HG2 PRO 71 7.011 -9.689 -0.816 529 2HG PRO 71 HG1 PRO 71 6.497 -8.090 -1.389 530 1HD PRO 71 HD1 PRO 71 5.041 -10.705 -1.501 531 2HD PRO 71 HD2 PRO 71 4.416 -9.083 -1.137 532 H LEU 72 HN LEU 72 5.447 -11.669 -4.037 533 HA LEU 72 HA LEU 72 7.018 -12.561 -6.161 534 1HB LEU 72 HB1 LEU 72 5.806 -13.968 -4.457 535 2HB LEU 72 HB2 LEU 72 4.338 -13.698 -5.375 536 HG LEU 72 HG LEU 72 6.369 -14.665 -7.147 537 1HD1 LEU 72 HD1 LEU 72 5.818 -16.791 -5.182 538 2HD1 LEU 72 HD1 LEU 72 6.989 -15.567 -4.691 539 3HD1 LEU 72 HD1 LEU 72 7.250 -16.494 -6.168 540 1HD2 LEU 72 HD2 LEU 72 3.656 -14.883 -6.793 541 2HD2 LEU 72 HD2 LEU 72 4.236 -16.503 -6.406 542 3HD2 LEU 72 HD2 LEU 72 4.619 -15.779 -7.968 543 H ASP 73 HN ASP 73 3.853 -11.079 -6.128 544 HA ASP 73 HA ASP 73 3.129 -11.688 -8.795 545 1HB ASP 73 HB2 ASP 73 2.211 -9.685 -6.762 546 2HB ASP 73 HB1 ASP 73 1.647 -9.554 -8.426 547 H ALA 74 HN ALA 74 4.298 -8.619 -7.392 548 HA ALA 74 HA ALA 74 4.652 -7.297 -9.841 549 1HB ALA 74 HB1 ALA 74 4.552 -5.989 -7.876 550 2HB ALA 74 HB2 ALA 74 6.184 -5.795 -8.517 551 3HB ALA 74 HB3 ALA 74 5.899 -6.860 -7.141 552 H ARG 75 HN ARG 75 6.778 -9.401 -8.005 553 HA ARG 75 HA ARG 75 9.154 -8.874 -9.440 554 1HB ARG 75 HB1 ARG 75 9.290 -9.954 -7.299 555 2HB ARG 75 HB2 ARG 75 8.259 -11.273 -7.834 556 1HG ARG 75 HG1 ARG 75 9.970 -12.080 -9.315 557 2HG ARG 75 HG2 ARG 75 10.988 -10.682 -8.964 558 1HD ARG 75 HD1 ARG 75 11.559 -11.447 -6.878 559 2HD ARG 75 HD2 ARG 75 10.081 -12.394 -6.704 560 HE ARG 75 HE ARG 75 11.372 -13.671 -8.695 561 1HH1 ARG 75 HH2 ARG 75 12.366 -12.632 -5.519 562 2HH1 ARG 75 HH2 ARG 75 13.513 -13.914 -5.319 563 1HH2 ARG 75 HH1 ARG 75 12.880 -15.361 -8.439 564 2HH2 ARG 75 HH1 ARG 75 13.804 -15.465 -6.978 565 H ASN 76 HN ASN 76 6.483 -11.104 -9.944 566 HA ASN 76 HA ASN 76 7.597 -12.767 -11.877 567 1HB ASN 76 HB2 ASN 76 5.202 -12.680 -10.686 568 2HB ASN 76 HB1 ASN 76 4.758 -11.940 -12.220 569 1HD2 ASN 76 HD2 ASN 76 5.569 -13.156 -14.175 570 2HD2 ASN 76 HD2 ASN 76 5.417 -14.877 -14.130 571 H HIS 77 HN HIS 77 5.510 -9.928 -12.475 572 HA HIS 77 HA HIS 77 6.111 -9.832 -15.249 573 1HB HIS 77 HB2 HIS 77 4.507 -8.307 -13.348 574 2HB HIS 77 HB1 HIS 77 5.272 -7.279 -14.555 575 HD2 HIS 77 HD2 HIS 77 3.622 -10.813 -15.163 576 HE1 HIS 77 HE1 HIS 77 1.759 -7.885 -17.585 577 HE2 HIS 77 HE2 HIS 77 1.858 -10.353 -17.008 578 H GLY 78 HN GLY 78 7.017 -7.600 -12.612 579 1HA GLY 78 HA1 GLY 78 9.502 -7.221 -12.471 580 2HA GLY 78 HA2 GLY 78 9.411 -6.895 -14.194 581 H TYR 79 HN TYR 79 8.638 -5.710 -10.994 582 HA TYR 79 HA TYR 79 7.690 -3.165 -12.036 583 1HB TYR 79 HB2 TYR 79 7.182 -4.596 -9.698 584 2HB TYR 79 HB1 TYR 79 8.168 -3.237 -9.166 585 HD1 TYR 79 HD1 TYR 79 7.411 -0.918 -10.354 586 HD2 TYR 79 HD2 TYR 79 4.902 -4.273 -9.612 587 HE1 TYR 79 HE1 TYR 79 5.441 0.551 -10.410 588 HE2 TYR 79 HE2 TYR 79 2.925 -2.813 -9.665 589 HH TYR 79 HH TYR 79 3.203 0.655 -9.767 590 H THR 80 HN THR 80 8.833 -1.666 -9.756 591 HA THR 80 HA THR 80 11.438 -1.155 -10.963 592 HB THR 80 HB THR 80 10.290 0.487 -8.738 593 HG1 THR 80 HG1 THR 80 8.573 0.725 -9.931 594 1HG2 THR 80 HG2 THR 80 11.202 2.331 -10.209 595 2HG2 THR 80 HG2 THR 80 12.007 1.055 -11.124 596 3HG2 THR 80 HG2 THR 80 12.379 1.283 -9.415 597 H VAL 81 HN VAL 81 10.393 -0.888 -7.574 598 HA VAL 81 HA VAL 81 12.781 -2.442 -6.818 599 HB VAL 81 HB VAL 81 11.539 -0.182 -5.246 600 1HG1 VAL 81 HG1 VAL 81 14.015 -1.836 -4.765 601 2HG1 VAL 81 HG1 VAL 81 12.544 -1.824 -3.792 602 3HG1 VAL 81 HG1 VAL 81 13.573 -0.393 -3.852 603 1HG2 VAL 81 HG2 VAL 81 13.367 1.177 -5.887 604 2HG2 VAL 81 HG2 VAL 81 12.747 0.457 -7.373 605 3HG2 VAL 81 HG2 VAL 81 14.212 -0.182 -6.627 606 H LEU 82 HN LEU 82 12.361 -4.263 -5.797 607 HA LEU 82 HA LEU 82 9.853 -4.528 -4.280 608 1HB LEU 82 HB2 LEU 82 10.925 -6.111 -6.464 609 2HB LEU 82 HB1 LEU 82 10.658 -7.096 -5.041 610 HG LEU 82 HG LEU 82 8.730 -7.127 -6.562 611 1HD1 LEU 82 HD1 LEU 82 8.521 -7.313 -4.051 612 2HD1 LEU 82 HD1 LEU 82 7.058 -6.851 -4.922 613 3HD1 LEU 82 HD1 LEU 82 7.995 -5.629 -4.062 614 1HD2 LEU 82 HD2 LEU 82 8.074 -4.306 -5.881 615 2HD2 LEU 82 HD2 LEU 82 7.588 -5.278 -7.269 616 3HD2 LEU 82 HD2 LEU 82 9.221 -4.617 -7.185 617 H ASP 83 HN ASP 83 10.472 -4.417 -2.195 618 HA ASP 83 HA ASP 83 12.542 -6.299 -1.294 619 1HB ASP 83 HB1 ASP 83 12.324 -3.365 -0.645 620 2HB ASP 83 HB2 ASP 83 13.152 -4.485 0.434 621 H ILE 84 HN ILE 84 12.363 -6.900 0.975 622 HA ILE 84 HA ILE 84 9.770 -6.318 2.210 623 HB ILE 84 HB ILE 84 9.318 -8.636 2.702 624 1HG1 ILE 84 HG1 ILE 84 11.707 -9.365 1.001 625 2HG1 ILE 84 HG1 ILE 84 11.749 -9.313 2.761 626 1HG2 ILE 84 HG2 ILE 84 8.602 -9.345 0.576 627 2HG2 ILE 84 HG2 ILE 84 9.919 -8.500 -0.238 628 3HG2 ILE 84 HG2 ILE 84 8.611 -7.582 0.509 629 1HD1 ILE 84 HD1 ILE 84 9.559 -10.913 1.699 630 2HD1 ILE 84 HD1 ILE 84 10.742 -11.288 2.952 631 3HD1 ILE 84 HD1 ILE 84 11.159 -11.503 1.252 632 H GLN 85 HN GLN 85 9.727 -7.618 4.423 633 HA GLN 85 HA GLN 85 12.296 -7.779 5.734 634 1HB GLN 85 HB1 GLN 85 11.169 -5.307 5.742 635 2HB GLN 85 HB2 GLN 85 10.440 -5.996 7.186 636 1HG GLN 85 HG1 GLN 85 13.085 -6.684 7.448 637 2HG GLN 85 HG2 GLN 85 13.158 -5.081 6.719 638 1HE2 GLN 85 HE2 GLN 85 14.077 -4.316 8.672 639 2HE2 GLN 85 HE2 GLN 85 13.085 -3.988 10.048 640 H GLN 86 HN GLN 86 11.997 -8.422 8.082 641 HA GLN 86 HA GLN 86 9.501 -9.949 8.411 642 1HB GLN 86 HB1 GLN 86 11.491 -11.362 7.782 643 2HB GLN 86 HB2 GLN 86 12.228 -10.889 9.306 644 1HG GLN 86 HG2 GLN 86 11.062 -12.394 10.440 645 2HG GLN 86 HG1 GLN 86 9.546 -11.888 9.693 646 1HE2 GLN 86 HE2 GLN 86 9.535 -12.552 7.234 647 2HE2 GLN 86 HE2 GLN 86 9.900 -14.216 6.956 648 H ASP 87 HN ASP 87 8.431 -9.530 10.217 649 HA ASP 87 HA ASP 87 9.890 -8.692 12.607 650 1HB ASP 87 HB2 ASP 87 8.916 -6.709 11.190 651 2HB ASP 87 HB1 ASP 87 7.381 -7.216 11.888 652 H GLY 88 HN GLY 88 9.383 -10.840 13.281 653 1HA GLY 88 HA1 GLY 88 6.943 -12.088 13.338 654 2HA GLY 88 HA2 GLY 88 8.170 -12.299 14.575 655 HA PRO 89 HA PRO 89 5.686 -13.287 14.363 656 1HB PRO 89 HB1 PRO 89 3.154 -13.694 15.065 657 2HB PRO 89 HB2 PRO 89 4.442 -13.772 16.272 658 1HG PRO 89 HG1 PRO 89 2.476 -11.589 15.729 659 2HG PRO 89 HG2 PRO 89 3.108 -12.168 17.279 660 1HD PRO 89 HD1 PRO 89 4.017 -9.926 15.864 661 2HD PRO 89 HD2 PRO 89 4.867 -10.732 17.195 662 H THR 90 HN THR 90 5.624 -10.897 12.783 663 HA THR 90 HA THR 90 3.529 -11.646 10.881 664 HB THR 90 HB THR 90 2.928 -9.287 10.501 665 HG1 THR 90 HG1 THR 90 3.854 -7.693 11.576 666 1HG2 THR 90 HG2 THR 90 1.664 -8.836 12.495 667 2HG2 THR 90 HG2 THR 90 2.637 -9.988 13.409 668 3HG2 THR 90 HG2 THR 90 1.584 -10.556 12.113 669 H ILE 91 HN ILE 91 3.905 -9.843 8.933 670 HA ILE 91 HA ILE 91 6.745 -9.542 8.403 671 HB ILE 91 HB ILE 91 6.385 -11.774 7.595 672 1HG1 ILE 91 HG1 ILE 91 6.300 -10.153 5.076 673 2HG1 ILE 91 HG1 ILE 91 7.627 -9.916 6.209 674 1HG2 ILE 91 HG2 ILE 91 4.722 -12.288 5.878 675 2HG2 ILE 91 HG2 ILE 91 4.123 -10.631 5.964 676 3HG2 ILE 91 HG2 ILE 91 3.967 -11.699 7.360 677 1HD1 ILE 91 HD1 ILE 91 7.782 -12.536 6.050 678 2HD1 ILE 91 HD1 ILE 91 8.537 -11.489 4.848 679 3HD1 ILE 91 HD1 ILE 91 6.985 -12.252 4.503 680 H ARG 92 HN ARG 92 7.213 -7.931 6.954 681 HA ARG 92 HA ARG 92 4.908 -6.489 5.819 682 1HB ARG 92 HB1 ARG 92 5.532 -5.021 7.467 683 2HB ARG 92 HB2 ARG 92 7.207 -5.548 7.456 684 1HG ARG 92 HG2 ARG 92 7.126 -4.385 5.058 685 2HG ARG 92 HG1 ARG 92 5.864 -3.453 5.868 686 1HD ARG 92 HD2 ARG 92 8.518 -3.902 7.180 687 2HD ARG 92 HD1 ARG 92 8.312 -2.624 5.983 688 HE ARG 92 HE ARG 92 7.191 -2.711 8.657 689 1HH1 ARG 92 HH2 ARG 92 7.206 -1.188 5.523 690 2HH1 ARG 92 HH2 ARG 92 6.481 0.279 6.091 691 1HH2 ARG 92 HH1 ARG 92 6.236 -0.785 9.412 692 2HH2 ARG 92 HH1 ARG 92 5.929 0.508 8.302 693 H TYR 93 HN TYR 93 5.013 -5.953 3.730 694 HA TYR 93 HA TYR 93 7.580 -6.239 2.310 695 1HB TYR 93 HB1 TYR 93 4.954 -6.738 0.939 696 2HB TYR 93 HB2 TYR 93 6.556 -7.318 0.506 697 HD1 TYR 93 HD1 TYR 93 7.018 -9.541 0.850 698 HD2 TYR 93 HD2 TYR 93 4.041 -7.693 3.261 699 HE1 TYR 93 HE1 TYR 93 6.511 -11.713 1.876 700 HE2 TYR 93 HE2 TYR 93 3.530 -9.863 4.298 701 HH TYR 93 HH TYR 93 3.752 -12.261 3.759 702 H LEU 94 HN LEU 94 7.948 -4.729 0.598 703 HA LEU 94 HA LEU 94 5.933 -2.723 0.054 704 1HB LEU 94 HB1 LEU 94 7.654 -0.883 0.637 705 2HB LEU 94 HB2 LEU 94 6.690 -1.594 1.917 706 HG LEU 94 HG LEU 94 9.208 -3.002 1.526 707 1HD1 LEU 94 HD1 LEU 94 10.716 -1.367 1.608 708 2HD1 LEU 94 HD1 LEU 94 9.818 -0.500 2.853 709 3HD1 LEU 94 HD1 LEU 94 9.414 -0.268 1.152 710 1HD2 LEU 94 HD2 LEU 94 8.510 -1.563 4.017 711 2HD2 LEU 94 HD2 LEU 94 9.109 -3.206 3.783 712 3HD2 LEU 94 HD2 LEU 94 7.411 -2.834 3.480 713 H ILE 95 HN ILE 95 6.403 -1.378 -1.713 714 HA ILE 95 HA ILE 95 8.852 -1.961 -3.212 715 HB ILE 95 HB ILE 95 7.875 -2.654 -5.137 716 1HG1 ILE 95 HG1 ILE 95 5.224 -2.133 -5.381 717 2HG1 ILE 95 HG1 ILE 95 5.710 -0.763 -4.384 718 1HG2 ILE 95 HG2 ILE 95 5.680 -3.414 -3.213 719 2HG2 ILE 95 HG2 ILE 95 7.234 -4.236 -3.352 720 3HG2 ILE 95 HG2 ILE 95 6.111 -4.239 -4.711 721 1HD1 ILE 95 HD1 ILE 95 6.467 -1.439 -7.177 722 2HD1 ILE 95 HD1 ILE 95 7.595 -0.521 -6.177 723 3HD1 ILE 95 HD1 ILE 95 5.972 0.107 -6.476 724 H GLN 96 HN GLN 96 9.330 -0.326 -4.866 725 HA GLN 96 HA GLN 96 7.835 2.150 -4.750 726 1HB GLN 96 HB1 GLN 96 9.645 3.525 -3.940 727 2HB GLN 96 HB2 GLN 96 9.323 2.259 -2.763 728 1HG GLN 96 HG1 GLN 96 11.377 1.428 -2.938 729 2HG GLN 96 HG2 GLN 96 11.346 1.491 -4.699 730 1HE2 GLN 96 HE2 GLN 96 12.437 3.056 -5.720 731 2HE2 GLN 96 HE2 GLN 96 13.275 4.348 -4.937 732 H LYS 97 HN LYS 97 8.457 3.672 -6.364 733 HA LYS 97 HA LYS 97 10.270 2.588 -8.418 734 1HB LYS 97 HB1 LYS 97 8.003 2.346 -9.219 735 2HB LYS 97 HB2 LYS 97 7.635 4.017 -8.813 736 1HG LYS 97 HG2 LYS 97 8.975 4.847 -10.560 737 2HG LYS 97 HG1 LYS 97 9.750 3.283 -10.812 738 1HD LYS 97 HD2 LYS 97 7.236 2.546 -11.259 739 2HD LYS 97 HD1 LYS 97 7.087 4.250 -11.692 740 1HE LYS 97 HE2 LYS 97 7.761 3.538 -13.717 741 2HE LYS 97 HE1 LYS 97 9.365 3.610 -12.990 742 1HZ LYS 97 HZ1 LYS 97 9.581 1.428 -13.193 743 2HZ LYS 97 HZ2 LYS 97 8.147 1.403 -14.090 744 3HZ LYS 97 HZ3 LYS 97 8.104 1.131 -12.421 Start of MODEL 4 1 1H MET 1 HT1 MET 1 -32.038 17.584 -23.066 2 2H MET 1 HT2 MET 1 -31.388 16.578 -24.294 3 3H MET 1 HT3 MET 1 -31.603 18.256 -24.583 4 HA MET 1 HA MET 1 -29.307 17.586 -24.154 5 1HB MET 1 HB2 MET 1 -30.154 19.874 -23.835 6 2HB MET 1 HB1 MET 1 -30.639 19.470 -22.194 7 1HG MET 1 HG2 MET 1 -28.663 20.485 -21.757 8 2HG MET 1 HG1 MET 1 -28.091 18.831 -21.970 9 1HE MET 1 HE1 MET 1 -25.393 21.273 -23.209 10 2HE MET 1 HE2 MET 1 -25.274 19.515 -23.139 11 3HE MET 1 HE3 MET 1 -26.087 20.396 -21.845 12 H GLY 2 HN GLY 2 -30.953 17.949 -21.012 13 1HA GLY 2 HA2 GLY 2 -29.429 15.599 -20.068 14 2HA GLY 2 HA1 GLY 2 -29.596 17.054 -19.097 15 H SER 3 HN SER 3 -30.845 16.562 -17.420 16 HA SER 3 HA SER 3 -33.174 14.830 -17.831 17 1HB SER 3 HB2 SER 3 -32.165 15.799 -15.161 18 2HB SER 3 HB1 SER 3 -33.133 14.368 -15.517 19 HG SER 3 HG SER 3 -31.343 13.407 -16.432 20 H SER 4 HN SER 4 -35.002 15.465 -16.137 21 HA SER 4 HA SER 4 -35.622 18.299 -16.647 22 1HB SER 4 HB1 SER 4 -37.667 16.140 -16.131 23 2HB SER 4 HB2 SER 4 -37.918 17.733 -16.845 24 HG SER 4 HG SER 4 -37.779 16.595 -18.627 25 H HIS 5 HN HIS 5 -37.028 15.879 -14.453 26 HA HIS 5 HA HIS 5 -36.579 17.771 -12.238 27 1HB HIS 5 HB1 HIS 5 -38.991 16.936 -13.124 28 2HB HIS 5 HB2 HIS 5 -38.652 15.672 -11.946 29 HD2 HIS 5 HD2 HIS 5 -37.848 19.492 -11.444 30 HE1 HIS 5 HE1 HIS 5 -40.612 18.192 -8.514 31 HE2 HIS 5 HE2 HIS 5 -39.189 20.131 -9.317 32 H HIS 6 HN HIS 6 -36.963 14.293 -12.922 33 HA HIS 6 HA HIS 6 -35.729 13.510 -10.461 34 1HB HIS 6 HB2 HIS 6 -35.834 11.223 -11.412 35 2HB HIS 6 HB1 HIS 6 -37.380 12.061 -11.504 36 HD2 HIS 6 HD2 HIS 6 -38.347 12.547 -14.034 37 HE1 HIS 6 HE1 HIS 6 -35.174 10.605 -16.053 38 HE2 HIS 6 HE2 HIS 6 -37.468 11.656 -16.308 39 H HIS 7 HN HIS 7 -33.718 12.453 -10.197 40 HA HIS 7 HA HIS 7 -31.738 13.162 -12.260 41 1HB HIS 7 HB2 HIS 7 -30.292 12.692 -9.953 42 2HB HIS 7 HB1 HIS 7 -30.745 14.275 -10.575 43 HD2 HIS 7 HD2 HIS 7 -31.669 11.827 -7.710 44 HE1 HIS 7 HE1 HIS 7 -33.772 15.458 -7.155 45 HE2 HIS 7 HE2 HIS 7 -33.183 13.215 -6.125 46 H HIS 8 HN HIS 8 -30.474 11.609 -13.108 47 HA HIS 8 HA HIS 8 -30.927 8.867 -12.175 48 1HB HIS 8 HB2 HIS 8 -30.017 8.194 -14.383 49 2HB HIS 8 HB1 HIS 8 -31.426 9.241 -14.522 50 HD2 HIS 8 HD2 HIS 8 -30.979 11.742 -15.630 51 HE1 HIS 8 HE1 HIS 8 -26.941 10.971 -16.639 52 HE2 HIS 8 HE2 HIS 8 -28.892 12.566 -16.931 53 H HIS 9 HN HIS 9 -28.717 11.288 -11.794 54 HA HIS 9 HA HIS 9 -26.238 10.023 -12.124 55 1HB HIS 9 HB2 HIS 9 -26.553 12.466 -11.761 56 2HB HIS 9 HB1 HIS 9 -26.963 12.136 -10.080 57 HD2 HIS 9 HD2 HIS 9 -23.834 11.865 -12.444 58 HE1 HIS 9 HE1 HIS 9 -22.585 12.011 -8.402 59 HE2 HIS 9 HE2 HIS 9 -21.815 11.986 -10.818 60 H HIS 10 HN HIS 10 -25.189 8.519 -10.994 61 HA HIS 10 HA HIS 10 -26.157 7.861 -8.293 62 1HB HIS 10 HB2 HIS 10 -25.468 5.452 -8.912 63 2HB HIS 10 HB1 HIS 10 -26.985 6.069 -9.558 64 HD2 HIS 10 HD2 HIS 10 -23.634 4.661 -10.748 65 HE1 HIS 10 HE1 HIS 10 -25.769 5.998 -14.149 66 HE2 HIS 10 HE2 HIS 10 -23.751 4.693 -13.341 67 H SER 11 HN SER 11 -24.415 6.123 -7.384 68 HA SER 11 HA SER 11 -21.749 7.288 -7.836 69 1HB SER 11 HB2 SER 11 -21.599 6.579 -5.224 70 2HB SER 11 HB1 SER 11 -22.038 8.197 -5.769 71 HG SER 11 HG SER 11 -23.622 7.593 -4.378 72 H SER 12 HN SER 12 -19.976 5.871 -6.985 73 HA SER 12 HA SER 12 -20.666 3.036 -7.403 74 1HB SER 12 HB2 SER 12 -19.236 4.189 -9.179 75 2HB SER 12 HB1 SER 12 -17.962 4.261 -7.961 76 HG SER 12 HG SER 12 -19.231 1.923 -8.951 77 H GLY 13 HN GLY 13 -17.683 4.575 -6.251 78 1HA GLY 13 HA1 GLY 13 -17.784 2.809 -3.904 79 2HA GLY 13 HA2 GLY 13 -16.341 3.582 -4.543 80 H LEU 14 HN LEU 14 -15.577 5.147 -3.305 81 HA LEU 14 HA LEU 14 -17.463 6.632 -1.601 82 1HB LEU 14 HB1 LEU 14 -15.440 5.193 -0.693 83 2HB LEU 14 HB2 LEU 14 -14.524 6.633 -1.093 84 HG LEU 14 HG LEU 14 -16.586 7.706 0.329 85 1HD1 LEU 14 HD2 LEU 14 -16.978 5.058 0.773 86 2HD1 LEU 14 HD2 LEU 14 -17.445 6.342 1.889 87 3HD1 LEU 14 HD2 LEU 14 -15.923 5.482 2.122 88 1HD2 LEU 14 HD1 LEU 14 -14.550 6.937 2.167 89 2HD2 LEU 14 HD1 LEU 14 -14.824 8.505 1.407 90 3HD2 LEU 14 HD1 LEU 14 -13.808 7.303 0.610 91 H VAL 15 HN VAL 15 -17.966 8.118 -3.275 92 HA VAL 15 HA VAL 15 -15.857 10.124 -3.712 93 HB VAL 15 HB VAL 15 -17.040 10.569 -5.949 94 1HG1 VAL 15 HG1 VAL 15 -14.979 8.725 -5.196 95 2HG1 VAL 15 HG1 VAL 15 -15.105 9.730 -6.641 96 3HG1 VAL 15 HG1 VAL 15 -15.833 8.123 -6.617 97 1HG2 VAL 15 HG2 VAL 15 -18.861 9.350 -6.340 98 2HG2 VAL 15 HG2 VAL 15 -18.501 8.255 -5.005 99 3HG2 VAL 15 HG2 VAL 15 -17.784 7.977 -6.591 100 HA PRO 16 HA PRO 16 -15.895 12.015 -4.981 101 1HB PRO 16 HB2 PRO 16 -15.595 14.609 -4.403 102 2HB PRO 16 HB1 PRO 16 -16.835 14.061 -5.538 103 1HG PRO 16 HG2 PRO 16 -17.106 14.838 -2.657 104 2HG PRO 16 HG1 PRO 16 -18.158 15.237 -4.026 105 1HD PRO 16 HD1 PRO 16 -18.659 13.218 -2.225 106 2HD PRO 16 HD2 PRO 16 -19.291 13.256 -3.882 107 H ARG 17 HN ARG 17 -13.979 13.755 -4.085 108 HA ARG 17 HA ARG 17 -13.249 12.718 -1.427 109 1HB ARG 17 HB1 ARG 17 -11.411 13.141 -3.792 110 2HB ARG 17 HB2 ARG 17 -10.901 12.644 -2.184 111 1HG ARG 17 HG2 ARG 17 -12.675 10.720 -2.640 112 2HG ARG 17 HG1 ARG 17 -12.254 11.095 -4.313 113 1HD ARG 17 HD1 ARG 17 -9.796 11.000 -3.251 114 2HD ARG 17 HD2 ARG 17 -10.622 9.883 -2.166 115 HE ARG 17 HE ARG 17 -11.283 8.645 -4.219 116 1HH1 ARG 17 HH1 ARG 17 -8.496 10.736 -4.249 117 2HH1 ARG 17 HH1 ARG 17 -7.713 9.888 -5.540 118 1HH2 ARG 17 HH2 ARG 17 -10.259 7.522 -5.920 119 2HH2 ARG 17 HH2 ARG 17 -8.714 8.062 -6.489 120 H GLY 18 HN GLY 18 -13.143 14.322 -0.008 121 1HA GLY 18 HA2 GLY 18 -12.673 17.051 -0.941 122 2HA GLY 18 HA1 GLY 18 -13.234 16.579 0.657 123 H SER 19 HN SER 19 -10.521 14.908 -0.660 124 HA SER 19 HA SER 19 -8.842 15.850 1.472 125 1HB SER 19 HB1 SER 19 -8.378 13.942 -0.825 126 2HB SER 19 HB2 SER 19 -7.124 14.351 0.346 127 HG SER 19 HG SER 19 -9.102 13.734 1.838 128 H HIS 20 HN HIS 20 -6.826 16.912 1.243 129 HA HIS 20 HA HIS 20 -6.791 18.793 -0.992 130 1HB HIS 20 HB2 HIS 20 -6.235 19.009 1.771 131 2HB HIS 20 HB1 HIS 20 -4.709 19.268 0.933 132 HD2 HIS 20 HD2 HIS 20 -5.841 21.836 2.353 133 HE1 HIS 20 HE1 HIS 20 -7.325 22.934 -1.457 134 HE2 HIS 20 HE2 HIS 20 -6.746 23.763 0.870 135 H MET 21 HN MET 21 -5.537 15.847 -0.397 136 HA MET 21 HA MET 21 -3.255 16.343 -2.170 137 1HB MET 21 HB1 MET 21 -3.197 14.957 0.497 138 2HB MET 21 HB2 MET 21 -2.033 14.544 -0.755 139 1HG MET 21 HG2 MET 21 -1.059 16.663 -0.715 140 2HG MET 21 HG1 MET 21 -2.433 17.378 0.127 141 1HE MET 21 HE1 MET 21 -3.297 16.142 2.175 142 2HE MET 21 HE2 MET 21 -2.387 17.131 3.317 143 3HE MET 21 HE3 MET 21 -2.302 15.372 3.411 144 H LYS 22 HN LYS 22 -2.627 14.548 -3.444 145 HA LYS 22 HA LYS 22 -4.665 12.424 -3.581 146 1HB LYS 22 HB2 LYS 22 -3.001 13.570 -5.832 147 2HB LYS 22 HB1 LYS 22 -4.185 12.281 -5.988 148 1HG LYS 22 HG1 LYS 22 -5.904 13.704 -6.053 149 2HG LYS 22 HG2 LYS 22 -5.244 14.710 -4.761 150 1HD LYS 22 HD1 LYS 22 -3.582 15.564 -6.488 151 2HD LYS 22 HD2 LYS 22 -4.606 14.790 -7.700 152 1HE LYS 22 HE1 LYS 22 -5.895 16.588 -5.716 153 2HE LYS 22 HE2 LYS 22 -4.935 17.322 -6.999 154 1HZ LYS 22 HZ1 LYS 22 -7.538 16.539 -7.191 155 2HZ LYS 22 HZ2 LYS 22 -6.702 15.301 -7.983 156 3HZ LYS 22 HZ3 LYS 22 -6.514 16.904 -8.487 157 H ASN 23 HN ASN 23 -3.738 10.458 -4.864 158 HA ASN 23 HA ASN 23 -1.476 9.519 -3.343 159 1HB ASN 23 HB2 ASN 23 -3.208 8.195 -5.441 160 2HB ASN 23 HB1 ASN 23 -1.897 7.377 -4.596 161 1HD2 ASN 23 HD2 ASN 23 -3.222 5.886 -3.621 162 2HD2 ASN 23 HD2 ASN 23 -4.327 6.296 -2.358 163 H ILE 24 HN ILE 24 0.439 10.332 -3.976 164 HA ILE 24 HA ILE 24 1.079 10.592 -6.802 165 HB ILE 24 HB ILE 24 2.985 11.132 -4.546 166 1HG1 ILE 24 HG1 ILE 24 1.713 13.539 -5.406 167 2HG1 ILE 24 HG1 ILE 24 0.459 12.395 -4.940 168 1HG2 ILE 24 HG2 ILE 24 3.986 12.677 -6.084 169 2HG2 ILE 24 HG2 ILE 24 2.672 12.449 -7.237 170 3HG2 ILE 24 HG2 ILE 24 3.787 11.125 -6.897 171 1HD1 ILE 24 HD1 ILE 24 0.972 12.526 -2.766 172 2HD1 ILE 24 HD1 ILE 24 1.727 14.050 -3.234 173 3HD1 ILE 24 HD1 ILE 24 2.709 12.594 -3.072 174 H VAL 25 HN VAL 25 3.009 9.333 -4.087 175 HA VAL 25 HA VAL 25 4.137 7.321 -5.878 176 HB VAL 25 HB VAL 25 5.105 7.341 -3.107 177 1HG1 VAL 25 HG1 VAL 25 6.171 7.122 -5.866 178 2HG1 VAL 25 HG1 VAL 25 6.474 6.116 -4.449 179 3HG1 VAL 25 HG1 VAL 25 7.271 7.681 -4.606 180 1HG2 VAL 25 HG2 VAL 25 4.693 9.704 -3.263 181 2HG2 VAL 25 HG2 VAL 25 5.454 9.775 -4.852 182 3HG2 VAL 25 HG2 VAL 25 6.427 9.419 -3.424 183 HA PRO 26 HA PRO 26 2.466 4.648 -2.067 184 1HB PRO 26 HB1 PRO 26 0.180 6.426 -1.377 185 2HB PRO 26 HB2 PRO 26 1.183 5.422 -0.325 186 1HG PRO 26 HG1 PRO 26 1.508 8.061 -0.384 187 2HG PRO 26 HG2 PRO 26 2.908 6.978 -0.269 188 1HD PRO 26 HD2 PRO 26 1.866 8.492 -2.627 189 2HD PRO 26 HD1 PRO 26 3.544 8.170 -2.144 190 H ASP 27 HN ASP 27 1.966 3.456 -3.939 191 HA ASP 27 HA ASP 27 -0.363 3.955 -5.492 192 1HB ASP 27 HB1 ASP 27 1.784 2.699 -6.178 193 2HB ASP 27 HB2 ASP 27 1.055 1.304 -5.386 194 H TYR 28 HN TYR 28 0.320 0.890 -3.783 195 HA TYR 28 HA TYR 28 -2.416 1.013 -2.700 196 1HB TYR 28 HB1 TYR 28 -1.246 -1.084 -4.476 197 2HB TYR 28 HB2 TYR 28 -2.400 -1.571 -3.237 198 HD1 TYR 28 HD1 TYR 28 -1.945 0.211 -6.389 199 HD2 TYR 28 HD2 TYR 28 -4.727 -0.811 -3.336 200 HE1 TYR 28 HE1 TYR 28 -3.799 0.870 -7.865 201 HE2 TYR 28 HE2 TYR 28 -6.588 -0.155 -4.804 202 HH TYR 28 HH TYR 28 -6.850 1.468 -6.829 203 H ARG 29 HN ARG 29 -2.833 -0.592 -0.987 204 HA ARG 29 HA ARG 29 -0.409 -1.449 0.420 205 1HB ARG 29 HB2 ARG 29 -2.090 -0.701 2.483 206 2HB ARG 29 HB1 ARG 29 -0.682 0.190 1.924 207 1HG ARG 29 HG1 ARG 29 -1.916 1.808 0.957 208 2HG ARG 29 HG2 ARG 29 -3.189 0.692 0.459 209 1HD ARG 29 HD2 ARG 29 -3.063 0.895 3.331 210 2HD ARG 29 HD1 ARG 29 -3.249 2.488 2.597 211 HE ARG 29 HE ARG 29 -5.046 0.381 1.690 212 1HH1 ARG 29 HH1 ARG 29 -4.541 3.213 3.656 213 2HH1 ARG 29 HH1 ARG 29 -6.230 3.541 3.846 214 1HH2 ARG 29 HH2 ARG 29 -7.273 0.806 1.934 215 2HH2 ARG 29 HH2 ARG 29 -7.783 2.174 2.867 216 H LEU 30 HN LEU 30 -0.526 -3.486 1.104 217 HA LEU 30 HA LEU 30 -3.186 -4.723 1.385 218 1HB LEU 30 HB1 LEU 30 -1.509 -5.453 -0.503 219 2HB LEU 30 HB2 LEU 30 -0.720 -6.319 0.798 220 HG LEU 30 HG LEU 30 -2.370 -7.629 -0.641 221 1HD1 LEU 30 HD2 LEU 30 -1.607 -7.902 1.961 222 2HD1 LEU 30 HD2 LEU 30 -2.545 -9.086 1.052 223 3HD1 LEU 30 HD2 LEU 30 -3.364 -7.927 2.099 224 1HD2 LEU 30 HD1 LEU 30 -4.749 -7.428 0.199 225 2HD2 LEU 30 HD1 LEU 30 -4.184 -6.134 -0.857 226 3HD2 LEU 30 HD1 LEU 30 -4.279 -5.873 0.885 227 H ASP 31 HN ASP 31 -3.186 -4.071 3.621 228 HA ASP 31 HA ASP 31 -1.222 -5.435 5.320 229 1HB ASP 31 HB2 ASP 31 -2.429 -3.924 7.103 230 2HB ASP 31 HB1 ASP 31 -1.244 -3.227 6.003 231 H MET 32 HN MET 32 -2.492 -7.446 4.698 232 HA MET 32 HA MET 32 -4.494 -7.925 6.773 233 1HB MET 32 HB2 MET 32 -4.857 -8.727 3.881 234 2HB MET 32 HB1 MET 32 -5.907 -9.209 5.206 235 1HG MET 32 HG1 MET 32 -6.511 -6.881 5.587 236 2HG MET 32 HG2 MET 32 -5.442 -6.385 4.276 237 1HE MET 32 HE1 MET 32 -8.713 -9.354 3.934 238 2HE MET 32 HE2 MET 32 -9.509 -7.887 4.505 239 3HE MET 32 HE3 MET 32 -8.152 -8.562 5.407 240 H VAL 33 HN VAL 33 -4.271 -10.367 4.436 241 HA VAL 33 HA VAL 33 -2.137 -11.780 5.867 242 HB VAL 33 HB VAL 33 -4.722 -13.150 5.126 243 1HG1 VAL 33 HG1 VAL 33 -2.284 -13.966 6.685 244 2HG1 VAL 33 HG1 VAL 33 -2.949 -14.706 5.228 245 3HG1 VAL 33 HG1 VAL 33 -3.807 -14.851 6.762 246 1HG2 VAL 33 HG2 VAL 33 -5.083 -13.203 7.644 247 2HG2 VAL 33 HG2 VAL 33 -5.390 -11.672 6.826 248 3HG2 VAL 33 HG2 VAL 33 -3.893 -11.904 7.730 249 H GLY 34 HN GLY 34 -1.060 -13.365 4.619 250 1HA GLY 34 HA2 GLY 34 -1.171 -12.847 1.769 251 2HA GLY 34 HA1 GLY 34 0.014 -13.839 2.603 252 H GLU 35 HN GLU 35 -3.534 -13.929 2.203 253 HA GLU 35 HA GLU 35 -3.259 -16.758 1.433 254 1HB GLU 35 HB1 GLU 35 -4.480 -16.796 3.419 255 2HB GLU 35 HB2 GLU 35 -5.327 -15.302 3.044 256 1HG GLU 35 HG2 GLU 35 -6.827 -16.356 1.633 257 2HG GLU 35 HG1 GLU 35 -5.783 -17.758 1.403 258 HA PRO 36 HA PRO 36 -4.839 -15.310 -2.489 259 1HB PRO 36 HB2 PRO 36 -4.919 -17.698 -3.743 260 2HB PRO 36 HB1 PRO 36 -3.404 -16.847 -3.430 261 1HG PRO 36 HG1 PRO 36 -4.655 -19.108 -1.915 262 2HG PRO 36 HG2 PRO 36 -2.961 -18.882 -2.389 263 1HD PRO 36 HD1 PRO 36 -3.883 -18.334 0.108 264 2HD PRO 36 HD2 PRO 36 -2.531 -17.458 -0.634 265 H CYS 37 HN CYS 37 -6.905 -14.758 -1.445 266 HA CYS 37 HA CYS 37 -9.009 -16.562 -2.366 267 1HB CYS 37 HB2 CYS 37 -8.370 -16.305 0.352 268 2HB CYS 37 HB1 CYS 37 -9.825 -15.342 0.123 269 HG CYS 37 HG CYS 37 -10.075 -18.083 0.616 270 HA PRO 38 HA PRO 38 -10.840 -12.178 -2.164 271 1HB PRO 38 HB1 PRO 38 -9.607 -10.162 -0.926 272 2HB PRO 38 HB2 PRO 38 -10.488 -11.390 -0.007 273 1HG PRO 38 HG2 PRO 38 -7.545 -11.105 -0.462 274 2HG PRO 38 HG1 PRO 38 -8.411 -11.555 1.018 275 1HD PRO 38 HD2 PRO 38 -7.215 -13.345 -0.724 276 2HD PRO 38 HD1 PRO 38 -8.503 -13.754 0.424 277 H TYR 39 HN TYR 39 -9.434 -9.573 -2.349 278 HA TYR 39 HA TYR 39 -7.941 -10.024 -4.851 279 1HB TYR 39 HB1 TYR 39 -8.852 -7.481 -5.144 280 2HB TYR 39 HB2 TYR 39 -9.676 -8.899 -5.782 281 HD1 TYR 39 HD1 TYR 39 -11.837 -9.467 -5.049 282 HD2 TYR 39 HD2 TYR 39 -9.587 -6.570 -2.893 283 HE1 TYR 39 HE1 TYR 39 -13.834 -8.910 -3.727 284 HE2 TYR 39 HE2 TYR 39 -11.578 -6.006 -1.564 285 HH TYR 39 HH TYR 39 -14.661 -7.701 -2.059 286 HA PRO 40 HA PRO 40 -5.267 -7.625 -1.945 287 1HB PRO 40 HB2 PRO 40 -3.265 -9.380 -1.634 288 2HB PRO 40 HB1 PRO 40 -4.768 -9.514 -0.716 289 1HG PRO 40 HG1 PRO 40 -3.832 -11.080 -3.068 290 2HG PRO 40 HG2 PRO 40 -4.800 -11.605 -1.681 291 1HD PRO 40 HD1 PRO 40 -5.778 -10.932 -4.218 292 2HD PRO 40 HD2 PRO 40 -6.740 -11.104 -2.739 293 H ALA 41 HN ALA 41 -2.877 -9.613 -3.452 294 HA ALA 41 HA ALA 41 -1.394 -7.530 -4.493 295 1HB ALA 41 HB1 ALA 41 0.021 -9.110 -5.405 296 2HB ALA 41 HB2 ALA 41 -1.293 -10.231 -5.762 297 3HB ALA 41 HB3 ALA 41 -0.761 -10.000 -4.096 298 H VAL 42 HN VAL 42 -4.328 -8.621 -5.692 299 HA VAL 42 HA VAL 42 -4.128 -8.650 -8.428 300 HB VAL 42 HB VAL 42 -6.322 -7.277 -6.867 301 1HG1 VAL 42 HG1 VAL 42 -6.821 -8.680 -9.429 302 2HG1 VAL 42 HG1 VAL 42 -6.006 -7.118 -9.507 303 3HG1 VAL 42 HG1 VAL 42 -7.594 -7.248 -8.751 304 1HG2 VAL 42 HG2 VAL 42 -7.066 -9.265 -6.200 305 2HG2 VAL 42 HG2 VAL 42 -5.522 -9.934 -6.725 306 3HG2 VAL 42 HG2 VAL 42 -6.904 -9.942 -7.819 307 H ALA 43 HN ALA 43 -3.968 -5.904 -6.260 308 HA ALA 43 HA ALA 43 -4.108 -3.903 -8.302 309 1HB ALA 43 HB1 ALA 43 -2.777 -3.257 -5.748 310 2HB ALA 43 HB2 ALA 43 -4.447 -3.816 -5.647 311 3HB ALA 43 HB3 ALA 43 -4.048 -2.398 -6.617 312 H THR 44 HN THR 44 -1.514 -5.543 -6.562 313 HA THR 44 HA THR 44 0.675 -4.052 -7.330 314 HB THR 44 HB THR 44 0.990 -7.005 -7.343 315 HG1 THR 44 HG1 THR 44 0.460 -7.219 -5.236 316 1HG2 THR 44 HG2 THR 44 3.058 -6.295 -6.968 317 2HG2 THR 44 HG2 THR 44 2.511 -5.972 -5.323 318 3HG2 THR 44 HG2 THR 44 2.518 -4.677 -6.519 319 H LEU 45 HN LEU 45 -0.729 -6.844 -9.040 320 HA LEU 45 HA LEU 45 1.083 -6.795 -11.189 321 1HB LEU 45 HB1 LEU 45 -1.046 -8.397 -10.366 322 2HB LEU 45 HB2 LEU 45 -1.529 -7.796 -11.940 323 HG LEU 45 HG LEU 45 0.614 -8.645 -12.878 324 1HD1 LEU 45 HD2 LEU 45 2.235 -9.597 -11.647 325 2HD1 LEU 45 HD2 LEU 45 1.092 -10.394 -10.566 326 3HD1 LEU 45 HD2 LEU 45 1.500 -8.695 -10.320 327 1HD2 LEU 45 HD1 LEU 45 -1.686 -10.070 -12.147 328 2HD2 LEU 45 HD1 LEU 45 -0.319 -11.126 -11.788 329 3HD2 LEU 45 HD1 LEU 45 -0.525 -10.469 -13.413 330 H GLU 46 HN GLU 46 -2.297 -5.626 -11.064 331 HA GLU 46 HA GLU 46 -2.323 -4.511 -13.633 332 1HB GLU 46 HB2 GLU 46 -3.877 -3.435 -11.282 333 2HB GLU 46 HB1 GLU 46 -4.319 -3.374 -12.983 334 1HG GLU 46 HG1 GLU 46 -4.731 -5.715 -13.041 335 2HG GLU 46 HG2 GLU 46 -4.041 -5.931 -11.432 336 H ALA 47 HN ALA 47 -0.785 -3.469 -10.772 337 HA ALA 47 HA ALA 47 -0.679 -0.672 -11.357 338 1HB ALA 47 HB1 ALA 47 0.635 -0.453 -9.470 339 2HB ALA 47 HB2 ALA 47 1.353 -2.054 -9.655 340 3HB ALA 47 HB3 ALA 47 -0.313 -1.892 -9.098 341 H MET 48 HN MET 48 1.324 -3.458 -12.101 342 HA MET 48 HA MET 48 3.682 -2.300 -12.876 343 1HB MET 48 HB2 MET 48 2.311 -4.789 -13.426 344 2HB MET 48 HB1 MET 48 3.230 -4.251 -14.826 345 1HG MET 48 HG2 MET 48 4.297 -4.676 -12.045 346 2HG MET 48 HG1 MET 48 4.562 -5.716 -13.444 347 1HE MET 48 HE1 MET 48 5.409 -3.108 -15.821 348 2HE MET 48 HE2 MET 48 5.350 -4.856 -15.598 349 3HE MET 48 HE3 MET 48 6.906 -4.030 -15.684 350 HA PRO 49 HA PRO 49 1.967 -1.431 -17.337 351 1HB PRO 49 HB2 PRO 49 -0.953 -1.437 -16.946 352 2HB PRO 49 HB1 PRO 49 0.008 -2.169 -18.234 353 1HG PRO 49 HG2 PRO 49 -1.201 -3.663 -16.364 354 2HG PRO 49 HG1 PRO 49 0.378 -4.109 -17.036 355 1HD PRO 49 HD1 PRO 49 -0.265 -2.802 -14.419 356 2HD PRO 49 HD2 PRO 49 0.914 -4.079 -14.780 357 H GLN 50 HN GLN 50 -0.041 -0.444 -14.598 358 HA GLN 50 HA GLN 50 -0.512 2.201 -15.557 359 1HB GLN 50 HB2 GLN 50 -1.206 0.606 -13.213 360 2HB GLN 50 HB1 GLN 50 -0.883 2.289 -12.816 361 1HG GLN 50 HG1 GLN 50 -2.555 2.056 -15.160 362 2HG GLN 50 HG2 GLN 50 -3.253 1.222 -13.773 363 1HE2 GLN 50 HE2 GLN 50 -2.462 2.771 -11.692 364 2HE2 GLN 50 HE2 GLN 50 -3.157 4.347 -11.822 365 H LEU 51 HN LEU 51 2.317 0.892 -14.741 366 HA LEU 51 HA LEU 51 3.610 2.220 -12.832 367 1HB LEU 51 HB1 LEU 51 4.347 0.881 -15.197 368 2HB LEU 51 HB2 LEU 51 5.259 2.381 -15.175 369 HG LEU 51 HG LEU 51 5.206 0.957 -12.629 370 1HD1 LEU 51 HD2 LEU 51 7.081 -0.585 -13.554 371 2HD1 LEU 51 HD2 LEU 51 6.279 -0.329 -15.103 372 3HD1 LEU 51 HD2 LEU 51 5.393 -1.052 -13.760 373 1HD2 LEU 51 HD1 LEU 51 6.997 2.637 -14.221 374 2HD2 LEU 51 HD1 LEU 51 7.808 1.366 -13.308 375 3HD2 LEU 51 HD1 LEU 51 6.788 2.537 -12.472 376 H LYS 52 HN LYS 52 4.663 4.124 -12.482 377 HA LYS 52 HA LYS 52 4.409 6.233 -14.466 378 1HB LYS 52 HB2 LYS 52 3.542 6.609 -11.593 379 2HB LYS 52 HB1 LYS 52 3.528 7.835 -12.853 380 1HG LYS 52 HG1 LYS 52 1.992 5.956 -14.014 381 2HG LYS 52 HG2 LYS 52 1.633 5.650 -12.313 382 1HD LYS 52 HD2 LYS 52 0.985 7.958 -11.996 383 2HD LYS 52 HD1 LYS 52 1.450 8.346 -13.653 384 1HE LYS 52 HE1 LYS 52 -0.494 7.623 -14.468 385 2HE LYS 52 HE2 LYS 52 -0.413 6.129 -13.535 386 1HZ LYS 52 HZ1 LYS 52 -1.291 8.744 -12.437 387 2HZ LYS 52 HZ2 LYS 52 -1.332 7.249 -11.645 388 3HZ LYS 52 HZ3 LYS 52 -2.341 7.530 -12.974 389 H LYS 53 HN LYS 53 5.366 8.351 -13.016 390 HA LYS 53 HA LYS 53 8.137 7.559 -12.662 391 1HB LYS 53 HB2 LYS 53 6.729 10.214 -12.852 392 2HB LYS 53 HB1 LYS 53 8.418 10.101 -12.375 393 1HG LYS 53 HG1 LYS 53 9.116 9.621 -14.460 394 2HG LYS 53 HG2 LYS 53 7.688 8.652 -14.832 395 1HD LYS 53 HD1 LYS 53 6.545 11.069 -14.689 396 2HD LYS 53 HD2 LYS 53 8.167 11.550 -15.191 397 1HE LYS 53 HE1 LYS 53 6.843 11.233 -17.157 398 2HE LYS 53 HE2 LYS 53 8.006 9.912 -17.057 399 1HZ LYS 53 HZ1 LYS 53 6.389 8.403 -16.809 400 2HZ LYS 53 HZ2 LYS 53 5.380 9.589 -17.471 401 3HZ LYS 53 HZ3 LYS 53 5.460 9.385 -15.793 402 H GLY 54 HN GLY 54 5.988 6.912 -10.665 403 1HA GLY 54 HA2 GLY 54 7.498 7.211 -8.327 404 2HA GLY 54 HA1 GLY 54 6.302 8.498 -8.358 405 H GLU 55 HN GLU 55 6.878 5.143 -7.855 406 HA GLU 55 HA GLU 55 4.072 4.816 -7.038 407 1HB GLU 55 HB1 GLU 55 5.010 3.598 -9.244 408 2HB GLU 55 HB2 GLU 55 5.496 2.417 -8.037 409 1HG GLU 55 HG2 GLU 55 3.454 1.584 -8.070 410 2HG GLU 55 HG1 GLU 55 2.843 3.113 -7.441 411 H ILE 56 HN ILE 56 3.724 3.246 -5.361 412 HA ILE 56 HA ILE 56 5.961 2.114 -3.960 413 HB ILE 56 HB ILE 56 4.798 4.679 -3.083 414 1HG1 ILE 56 HG1 ILE 56 7.360 3.276 -2.300 415 2HG1 ILE 56 HG1 ILE 56 7.187 4.258 -3.751 416 1HG2 ILE 56 HG2 ILE 56 5.337 2.496 -1.075 417 2HG2 ILE 56 HG2 ILE 56 3.781 3.259 -1.404 418 3HG2 ILE 56 HG2 ILE 56 5.091 4.200 -0.688 419 1HD1 ILE 56 HD1 ILE 56 7.728 5.066 -1.059 420 2HD1 ILE 56 HD1 ILE 56 6.268 5.856 -1.657 421 3HD1 ILE 56 HD1 ILE 56 7.782 6.010 -2.548 422 H LEU 57 HN LEU 57 5.267 0.808 -2.099 423 HA LEU 57 HA LEU 57 2.401 0.318 -1.885 424 1HB LEU 57 HB2 LEU 57 3.821 -1.239 -3.566 425 2HB LEU 57 HB1 LEU 57 4.031 -2.129 -2.087 426 HG LEU 57 HG LEU 57 1.403 -1.865 -1.957 427 1HD1 LEU 57 HD2 LEU 57 0.442 -1.013 -3.758 428 2HD1 LEU 57 HD2 LEU 57 1.104 -2.336 -4.720 429 3HD1 LEU 57 HD2 LEU 57 2.013 -0.834 -4.541 430 1HD2 LEU 57 HD1 LEU 57 1.765 -4.056 -2.022 431 2HD2 LEU 57 HD1 LEU 57 3.216 -3.852 -3.004 432 3HD2 LEU 57 HD1 LEU 57 1.634 -3.951 -3.779 433 H GLU 58 HN GLU 58 1.840 -1.020 -0.083 434 HA GLU 58 HA GLU 58 3.973 -1.588 1.766 435 1HB GLU 58 HB2 GLU 58 1.626 -0.358 3.089 436 2HB GLU 58 HB1 GLU 58 3.333 -0.225 3.486 437 1HG GLU 58 HG1 GLU 58 3.671 1.541 2.040 438 2HG GLU 58 HG2 GLU 58 2.254 1.148 1.065 439 H VAL 59 HN VAL 59 3.718 -3.635 2.338 440 HA VAL 59 HA VAL 59 0.984 -4.735 2.453 441 HB VAL 59 HB VAL 59 3.515 -6.238 1.794 442 1HG1 VAL 59 HG2 VAL 59 0.616 -7.059 1.686 443 2HG1 VAL 59 HG2 VAL 59 1.822 -7.628 2.840 444 3HG1 VAL 59 HG2 VAL 59 1.977 -8.033 1.132 445 1HG2 VAL 59 HG1 VAL 59 2.147 -6.373 -0.475 446 2HG2 VAL 59 HG1 VAL 59 3.272 -5.058 -0.136 447 3HG2 VAL 59 HG1 VAL 59 1.541 -4.817 0.097 448 H VAL 60 HN VAL 60 0.363 -5.153 4.460 449 HA VAL 60 HA VAL 60 2.357 -6.207 6.353 450 HB VAL 60 HB VAL 60 -0.050 -4.506 7.018 451 1HG1 VAL 60 HG1 VAL 60 1.393 -4.565 9.280 452 2HG1 VAL 60 HG1 VAL 60 1.771 -6.168 8.649 453 3HG1 VAL 60 HG1 VAL 60 0.093 -5.706 8.934 454 1HG2 VAL 60 HG2 VAL 60 2.885 -3.938 6.827 455 2HG2 VAL 60 HG2 VAL 60 1.856 -3.007 7.919 456 3HG2 VAL 60 HG2 VAL 60 1.525 -3.014 6.187 457 H SER 61 HN SER 61 1.904 -8.343 5.810 458 HA SER 61 HA SER 61 -0.732 -9.279 6.703 459 1HB SER 61 HB2 SER 61 -0.267 -11.143 4.884 460 2HB SER 61 HB1 SER 61 -1.004 -9.607 4.432 461 HG SER 61 HG SER 61 1.792 -9.988 4.365 462 H ASP 62 HN ASP 62 -0.717 -11.697 7.076 463 HA ASP 62 HA ASP 62 1.822 -12.462 8.372 464 1HB ASP 62 HB2 ASP 62 -0.236 -13.990 9.518 465 2HB ASP 62 HB1 ASP 62 0.641 -12.657 10.263 466 H CYS 63 HN CYS 63 2.802 -14.165 7.527 467 HA CYS 63 HA CYS 63 1.292 -16.422 6.523 468 1HB CYS 63 HB2 CYS 63 2.103 -14.430 4.724 469 2HB CYS 63 HB1 CYS 63 3.281 -15.726 4.531 470 HG CYS 63 HG CYS 63 0.642 -15.750 3.287 471 HA PRO 64 HA PRO 64 4.819 -18.551 8.122 472 1HB PRO 64 HB2 PRO 64 4.658 -20.899 6.786 473 2HB PRO 64 HB1 PRO 64 3.522 -20.451 8.064 474 1HG PRO 64 HG2 PRO 64 3.196 -20.280 5.091 475 2HG PRO 64 HG1 PRO 64 2.040 -20.844 6.311 476 1HD PRO 64 HD2 PRO 64 1.931 -18.363 5.219 477 2HD PRO 64 HD1 PRO 64 1.406 -18.704 6.879 478 H GLN 65 HN GLN 65 4.452 -18.742 4.585 479 HA GLN 65 HA GLN 65 7.204 -19.299 4.104 480 1HB GLN 65 HB1 GLN 65 4.784 -18.960 2.535 481 2HB GLN 65 HB2 GLN 65 6.161 -18.183 1.766 482 1HG GLN 65 HG2 GLN 65 6.107 -20.350 0.894 483 2HG GLN 65 HG1 GLN 65 7.398 -20.367 2.095 484 1HE2 GLN 65 HE2 GLN 65 4.614 -21.877 1.017 485 2HE2 GLN 65 HE2 GLN 65 4.333 -22.909 2.374 486 H SER 66 HN SER 66 8.736 -17.916 3.039 487 HA SER 66 HA SER 66 8.965 -15.374 4.235 488 1HB SER 66 HB1 SER 66 11.012 -16.361 3.680 489 2HB SER 66 HB2 SER 66 10.469 -16.805 2.061 490 HG SER 66 HG SER 66 10.927 -14.152 2.965 491 H ILE 67 HN ILE 67 8.669 -16.133 0.758 492 HA ILE 67 HA ILE 67 7.901 -13.442 0.129 493 HB ILE 67 HB ILE 67 7.616 -15.816 -1.699 494 1HG1 ILE 67 HG1 ILE 67 10.080 -14.238 -1.931 495 2HG1 ILE 67 HG1 ILE 67 9.970 -15.152 -0.430 496 1HG2 ILE 67 HG2 ILE 67 8.557 -13.540 -3.037 497 2HG2 ILE 67 HG2 ILE 67 7.277 -12.980 -1.959 498 3HG2 ILE 67 HG2 ILE 67 6.948 -14.258 -3.129 499 1HD1 ILE 67 HD1 ILE 67 11.128 -16.302 -2.330 500 2HD1 ILE 67 HD1 ILE 67 9.561 -16.391 -3.133 501 3HD1 ILE 67 HD1 ILE 67 9.807 -17.204 -1.587 502 H ASN 68 HN ASN 68 5.900 -12.662 -0.452 503 HA ASN 68 HA ASN 68 3.621 -14.398 0.219 504 1HB ASN 68 HB1 ASN 68 4.198 -12.139 1.472 505 2HB ASN 68 HB2 ASN 68 3.355 -11.425 0.102 506 1HD2 ASN 68 HD2 ASN 68 1.425 -10.857 0.787 507 2HD2 ASN 68 HD2 ASN 68 0.335 -11.851 1.687 508 H ASN 69 HN ASN 69 1.526 -13.215 -0.839 509 HA ASN 69 HA ASN 69 1.765 -13.787 -3.617 510 1HB ASN 69 HB1 ASN 69 -0.469 -12.837 -1.847 511 2HB ASN 69 HB2 ASN 69 -0.671 -12.876 -3.596 512 1HD2 ASN 69 HD2 ASN 69 -2.015 -14.408 -1.504 513 2HD2 ASN 69 HD2 ASN 69 -1.751 -16.071 -1.891 514 H ILE 70 HN ILE 70 1.556 -10.808 -1.735 515 HA ILE 70 HA ILE 70 1.090 -9.108 -3.952 516 HB ILE 70 HB ILE 70 2.492 -7.990 -1.588 517 1HG1 ILE 70 HG1 ILE 70 1.021 -9.569 -0.488 518 2HG1 ILE 70 HG1 ILE 70 0.337 -7.952 -0.319 519 1HG2 ILE 70 HG2 ILE 70 0.847 -6.202 -1.916 520 2HG2 ILE 70 HG2 ILE 70 0.096 -7.136 -3.209 521 3HG2 ILE 70 HG2 ILE 70 1.749 -6.545 -3.393 522 1HD1 ILE 70 HD1 ILE 70 -0.976 -8.680 -2.493 523 2HD1 ILE 70 HD1 ILE 70 -1.534 -9.095 -0.872 524 3HD1 ILE 70 HD1 ILE 70 -0.663 -10.287 -1.837 525 HA PRO 71 HA PRO 71 5.861 -8.202 -3.800 526 1HB PRO 71 HB2 PRO 71 7.420 -10.158 -2.726 527 2HB PRO 71 HB1 PRO 71 6.819 -8.779 -1.797 528 1HG PRO 71 HG2 PRO 71 5.734 -11.569 -1.963 529 2HG PRO 71 HG1 PRO 71 5.975 -10.548 -0.534 530 1HD PRO 71 HD1 PRO 71 3.557 -10.836 -1.668 531 2HD PRO 71 HD2 PRO 71 4.072 -9.296 -0.951 532 H LEU 72 HN LEU 72 5.088 -11.679 -3.877 533 HA LEU 72 HA LEU 72 6.835 -12.348 -5.976 534 1HB LEU 72 HB1 LEU 72 5.762 -13.965 -4.419 535 2HB LEU 72 HB2 LEU 72 4.235 -13.693 -5.235 536 HG LEU 72 HG LEU 72 6.093 -14.393 -7.242 537 1HD1 LEU 72 HD2 LEU 72 6.108 -16.557 -5.192 538 2HD1 LEU 72 HD2 LEU 72 7.313 -15.273 -5.104 539 3HD1 LEU 72 HD2 LEU 72 7.203 -16.280 -6.547 540 1HD2 LEU 72 HD1 LEU 72 4.043 -16.204 -6.000 541 2HD2 LEU 72 HD1 LEU 72 4.582 -16.144 -7.679 542 3HD2 LEU 72 HD1 LEU 72 3.604 -14.833 -7.018 543 H ASP 73 HN ASP 73 3.609 -11.016 -5.950 544 HA ASP 73 HA ASP 73 2.872 -11.574 -8.603 545 1HB ASP 73 HB2 ASP 73 1.912 -9.891 -6.432 546 2HB ASP 73 HB1 ASP 73 1.714 -9.111 -7.998 547 H ALA 74 HN ALA 74 4.119 -8.509 -7.260 548 HA ALA 74 HA ALA 74 4.565 -7.283 -9.749 549 1HB ALA 74 HB1 ALA 74 6.376 -6.079 -8.090 550 2HB ALA 74 HB2 ALA 74 5.183 -6.714 -6.957 551 3HB ALA 74 HB3 ALA 74 4.678 -5.631 -8.253 552 H ARG 75 HN ARG 75 6.553 -9.391 -7.775 553 HA ARG 75 HA ARG 75 9.005 -8.990 -9.115 554 1HB ARG 75 HB1 ARG 75 8.863 -10.087 -6.927 555 2HB ARG 75 HB2 ARG 75 7.981 -11.429 -7.642 556 1HG ARG 75 HG1 ARG 75 10.250 -11.337 -9.171 557 2HG ARG 75 HG2 ARG 75 10.843 -10.892 -7.569 558 1HD ARG 75 HD1 ARG 75 10.974 -13.134 -7.316 559 2HD ARG 75 HD2 ARG 75 9.269 -12.955 -6.902 560 HE ARG 75 HE ARG 75 9.508 -13.315 -9.677 561 1HH1 ARG 75 HH2 ARG 75 9.903 -15.081 -6.697 562 2HH1 ARG 75 HH2 ARG 75 9.536 -16.617 -7.410 563 1HH2 ARG 75 HH1 ARG 75 9.022 -15.332 -10.621 564 2HH2 ARG 75 HH1 ARG 75 9.035 -16.759 -9.641 565 H ASN 76 HN ASN 76 6.186 -10.911 -9.827 566 HA ASN 76 HA ASN 76 7.354 -12.636 -11.747 567 1HB ASN 76 HB2 ASN 76 5.136 -12.994 -10.621 568 2HB ASN 76 HB1 ASN 76 4.477 -11.709 -11.627 569 1HD2 ASN 76 HD2 ASN 76 4.823 -14.960 -11.346 570 2HD2 ASN 76 HD2 ASN 76 4.599 -15.418 -12.996 571 H HIS 77 HN HIS 77 5.215 -9.821 -12.236 572 HA HIS 77 HA HIS 77 5.776 -9.623 -15.011 573 1HB HIS 77 HB1 HIS 77 4.226 -8.124 -13.014 574 2HB HIS 77 HB2 HIS 77 4.888 -7.123 -14.303 575 HD2 HIS 77 HD2 HIS 77 2.439 -6.722 -15.504 576 HE1 HIS 77 HE1 HIS 77 1.810 -10.794 -16.475 577 HE2 HIS 77 HE2 HIS 77 0.983 -8.420 -16.818 578 H GLY 78 HN GLY 78 7.420 -8.583 -12.195 579 1HA GLY 78 HA1 GLY 78 9.562 -7.711 -12.042 580 2HA GLY 78 HA2 GLY 78 9.572 -7.505 -13.786 581 H TYR 79 HN TYR 79 8.867 -6.044 -10.721 582 HA TYR 79 HA TYR 79 7.955 -3.569 -11.965 583 1HB TYR 79 HB2 TYR 79 7.377 -4.809 -9.538 584 2HB TYR 79 HB1 TYR 79 8.396 -3.445 -9.088 585 HD1 TYR 79 HD1 TYR 79 5.104 -4.442 -9.616 586 HD2 TYR 79 HD2 TYR 79 7.725 -1.170 -10.339 587 HE1 TYR 79 HE1 TYR 79 3.168 -2.937 -9.798 588 HE2 TYR 79 HE2 TYR 79 5.796 0.343 -10.523 589 HH TYR 79 HH TYR 79 3.073 -0.222 -11.202 590 H THR 80 HN THR 80 9.063 -1.852 -9.905 591 HA THR 80 HA THR 80 11.722 -1.541 -11.046 592 HB THR 80 HB THR 80 10.566 0.346 -9.029 593 HG1 THR 80 HG1 THR 80 8.842 0.189 -10.348 594 1HG2 THR 80 HG2 THR 80 11.886 1.927 -9.948 595 2HG2 THR 80 HG2 THR 80 11.785 1.234 -11.567 596 3HG2 THR 80 HG2 THR 80 12.850 0.510 -10.363 597 H VAL 81 HN VAL 81 10.393 -1.244 -7.744 598 HA VAL 81 HA VAL 81 12.815 -2.593 -6.752 599 HB VAL 81 HB VAL 81 11.453 -0.272 -5.387 600 1HG1 VAL 81 HG1 VAL 81 13.506 -2.201 -4.585 601 2HG1 VAL 81 HG1 VAL 81 12.460 -1.180 -3.600 602 3HG1 VAL 81 HG1 VAL 81 13.937 -0.515 -4.297 603 1HG2 VAL 81 HG2 VAL 81 13.166 1.142 -6.113 604 2HG2 VAL 81 HG2 VAL 81 12.746 0.208 -7.549 605 3HG2 VAL 81 HG2 VAL 81 14.187 -0.203 -6.619 606 H LEU 82 HN LEU 82 12.340 -4.377 -5.690 607 HA LEU 82 HA LEU 82 9.804 -4.545 -4.205 608 1HB LEU 82 HB2 LEU 82 10.819 -6.210 -6.320 609 2HB LEU 82 HB1 LEU 82 10.683 -7.154 -4.851 610 HG LEU 82 HG LEU 82 8.672 -7.326 -6.252 611 1HD1 LEU 82 HD1 LEU 82 7.211 -6.063 -4.267 612 2HD1 LEU 82 HD1 LEU 82 8.734 -6.485 -3.484 613 3HD1 LEU 82 HD1 LEU 82 7.769 -7.738 -4.264 614 1HD2 LEU 82 HD2 LEU 82 8.308 -5.410 -7.414 615 2HD2 LEU 82 HD2 LEU 82 8.813 -4.371 -6.082 616 3HD2 LEU 82 HD2 LEU 82 7.214 -5.116 -6.062 617 H ASP 83 HN ASP 83 10.455 -4.252 -2.136 618 HA ASP 83 HA ASP 83 12.599 -6.012 -1.143 619 1HB ASP 83 HB1 ASP 83 12.287 -3.115 -0.919 620 2HB ASP 83 HB2 ASP 83 12.513 -3.898 0.641 621 H ILE 84 HN ILE 84 12.424 -6.560 1.164 622 HA ILE 84 HA ILE 84 9.726 -6.336 2.272 623 HB ILE 84 HB ILE 84 9.503 -8.672 2.724 624 1HG1 ILE 84 HG1 ILE 84 12.138 -9.125 1.308 625 2HG1 ILE 84 HG1 ILE 84 11.962 -9.077 3.059 626 1HG2 ILE 84 HG2 ILE 84 10.298 -8.198 -0.143 627 2HG2 ILE 84 HG2 ILE 84 8.697 -7.980 0.565 628 3HG2 ILE 84 HG2 ILE 84 9.391 -9.596 0.435 629 1HD1 ILE 84 HD1 ILE 84 10.053 -10.904 2.232 630 2HD1 ILE 84 HD1 ILE 84 11.615 -11.259 2.972 631 3HD1 ILE 84 HD1 ILE 84 11.457 -11.233 1.215 632 H GLN 85 HN GLN 85 9.676 -7.373 4.520 633 HA GLN 85 HA GLN 85 12.185 -7.392 5.948 634 1HB GLN 85 HB2 GLN 85 10.324 -5.093 6.039 635 2HB GLN 85 HB1 GLN 85 10.898 -5.671 7.598 636 1HG GLN 85 HG1 GLN 85 13.240 -5.539 6.525 637 2HG GLN 85 HG2 GLN 85 12.455 -4.510 5.328 638 1HE2 GLN 85 HE2 GLN 85 13.037 -2.504 5.763 639 2HE2 GLN 85 HE2 GLN 85 12.975 -1.744 7.314 640 H GLN 86 HN GLN 86 11.915 -8.067 8.200 641 HA GLN 86 HA GLN 86 9.326 -9.367 8.719 642 1HB GLN 86 HB1 GLN 86 11.812 -10.651 8.198 643 2HB GLN 86 HB2 GLN 86 11.429 -10.901 9.896 644 1HG GLN 86 HG1 GLN 86 9.053 -11.497 8.874 645 2HG GLN 86 HG2 GLN 86 10.050 -11.888 7.473 646 1HE2 GLN 86 HE2 GLN 86 10.571 -13.939 7.376 647 2HE2 GLN 86 HE2 GLN 86 10.878 -14.985 8.717 648 H ASP 87 HN ASP 87 8.661 -9.451 10.852 649 HA ASP 87 HA ASP 87 10.384 -8.071 12.801 650 1HB ASP 87 HB2 ASP 87 7.386 -7.764 12.512 651 2HB ASP 87 HB1 ASP 87 8.381 -7.007 13.754 652 H GLY 88 HN GLY 88 7.493 -8.707 14.256 653 1HA GLY 88 HA1 GLY 88 8.598 -10.981 15.665 654 2HA GLY 88 HA2 GLY 88 7.101 -10.141 16.044 655 HA PRO 89 HA PRO 89 5.304 -13.790 14.192 656 1HB PRO 89 HB1 PRO 89 2.788 -13.414 14.993 657 2HB PRO 89 HB2 PRO 89 4.063 -13.796 16.156 658 1HG PRO 89 HG2 PRO 89 2.795 -11.163 15.525 659 2HG PRO 89 HG1 PRO 89 3.279 -11.826 17.096 660 1HD PRO 89 HD2 PRO 89 4.758 -10.015 15.591 661 2HD PRO 89 HD1 PRO 89 5.406 -11.043 16.881 662 H THR 90 HN THR 90 5.475 -10.986 12.799 663 HA THR 90 HA THR 90 3.501 -11.650 10.736 664 HB THR 90 HB THR 90 2.885 -9.285 10.483 665 HG1 THR 90 HG1 THR 90 4.731 -8.975 12.581 666 1HG2 THR 90 HG2 THR 90 2.439 -10.546 13.147 667 2HG2 THR 90 HG2 THR 90 1.307 -10.295 11.819 668 3HG2 THR 90 HG2 THR 90 1.830 -8.928 12.803 669 H ILE 91 HN ILE 91 3.907 -9.927 8.837 670 HA ILE 91 HA ILE 91 6.741 -9.417 8.439 671 HB ILE 91 HB ILE 91 6.572 -11.688 7.653 672 1HG1 ILE 91 HG1 ILE 91 6.517 -10.140 5.095 673 2HG1 ILE 91 HG1 ILE 91 7.737 -9.736 6.298 674 1HG2 ILE 91 HG2 ILE 91 4.111 -11.633 7.278 675 2HG2 ILE 91 HG2 ILE 91 5.019 -12.411 5.981 676 3HG2 ILE 91 HG2 ILE 91 4.407 -10.769 5.769 677 1HD1 ILE 91 HD1 ILE 91 8.977 -11.476 5.729 678 2HD1 ILE 91 HD1 ILE 91 7.892 -11.703 4.358 679 3HD1 ILE 91 HD1 ILE 91 7.608 -12.581 5.862 680 H ARG 92 HN ARG 92 7.170 -7.887 6.823 681 HA ARG 92 HA ARG 92 4.815 -6.652 5.570 682 1HB ARG 92 HB1 ARG 92 5.061 -4.947 7.004 683 2HB ARG 92 HB2 ARG 92 6.629 -5.521 7.543 684 1HG ARG 92 HG2 ARG 92 6.910 -4.410 4.933 685 2HG ARG 92 HG1 ARG 92 6.041 -3.269 5.961 686 1HD ARG 92 HD2 ARG 92 8.570 -4.629 6.846 687 2HD ARG 92 HD1 ARG 92 8.581 -3.111 5.950 688 HE ARG 92 HE ARG 92 6.949 -3.150 8.344 689 1HH1 ARG 92 HH2 ARG 92 10.028 -2.375 6.909 690 2HH1 ARG 92 HH2 ARG 92 10.472 -1.256 8.154 691 1HH2 ARG 92 HH1 ARG 92 7.525 -1.678 9.988 692 2HH2 ARG 92 HH1 ARG 92 9.049 -0.860 9.903 693 H TYR 93 HN TYR 93 5.019 -6.206 3.471 694 HA TYR 93 HA TYR 93 7.706 -6.220 2.259 695 1HB TYR 93 HB1 TYR 93 5.291 -7.057 0.691 696 2HB TYR 93 HB2 TYR 93 6.976 -7.499 0.456 697 HD1 TYR 93 HD1 TYR 93 4.294 -7.960 3.037 698 HD2 TYR 93 HD2 TYR 93 7.533 -9.677 0.882 699 HE1 TYR 93 HE1 TYR 93 3.876 -10.120 4.138 700 HE2 TYR 93 HE2 TYR 93 7.121 -11.839 1.971 701 HH TYR 93 HH TYR 93 5.031 -12.982 3.057 702 H LEU 94 HN LEU 94 8.170 -4.509 0.929 703 HA LEU 94 HA LEU 94 5.933 -2.823 0.038 704 1HB LEU 94 HB2 LEU 94 7.559 -0.851 0.589 705 2HB LEU 94 HB1 LEU 94 6.522 -1.526 1.831 706 HG LEU 94 HG LEU 94 9.114 -2.855 1.704 707 1HD1 LEU 94 HD1 LEU 94 10.536 -1.127 2.293 708 2HD1 LEU 94 HD1 LEU 94 9.211 -0.039 2.702 709 3HD1 LEU 94 HD1 LEU 94 9.563 -0.402 1.013 710 1HD2 LEU 94 HD2 LEU 94 7.855 -3.294 3.592 711 2HD2 LEU 94 HD2 LEU 94 7.334 -1.618 3.761 712 3HD2 LEU 94 HD2 LEU 94 8.989 -2.072 4.168 713 H ILE 95 HN ILE 95 6.320 -1.536 -1.770 714 HA ILE 95 HA ILE 95 8.821 -2.045 -3.224 715 HB ILE 95 HB ILE 95 7.851 -2.803 -5.120 716 1HG1 ILE 95 HG1 ILE 95 5.206 -2.235 -5.409 717 2HG1 ILE 95 HG1 ILE 95 5.726 -0.835 -4.470 718 1HG2 ILE 95 HG2 ILE 95 5.732 -4.132 -4.585 719 2HG2 ILE 95 HG2 ILE 95 5.899 -3.497 -2.949 720 3HG2 ILE 95 HG2 ILE 95 7.182 -4.486 -3.647 721 1HD1 ILE 95 HD1 ILE 95 7.607 -0.662 -6.233 722 2HD1 ILE 95 HD1 ILE 95 5.978 -0.111 -6.638 723 3HD1 ILE 95 HD1 ILE 95 6.548 -1.683 -7.209 724 H GLN 96 HN GLN 96 9.332 -0.404 -4.838 725 HA GLN 96 HA GLN 96 7.805 2.070 -4.679 726 1HB GLN 96 HB1 GLN 96 10.021 3.321 -4.277 727 2HB GLN 96 HB2 GLN 96 9.243 2.554 -2.900 728 1HG GLN 96 HG2 GLN 96 11.179 0.873 -4.325 729 2HG GLN 96 HG1 GLN 96 11.856 2.296 -3.535 730 1HE2 GLN 96 HE2 GLN 96 10.429 -0.800 -3.111 731 2HE2 GLN 96 HE2 GLN 96 10.600 -0.887 -1.394 732 H LYS 97 HN LYS 97 8.895 3.783 -6.129 733 HA LYS 97 HA LYS 97 10.231 2.540 -8.423 734 1HB LYS 97 HB1 LYS 97 8.083 2.519 -9.291 735 2HB LYS 97 HB2 LYS 97 7.597 3.958 -8.409 736 1HG LYS 97 HG1 LYS 97 7.680 4.575 -10.675 737 2HG LYS 97 HG2 LYS 97 9.125 5.265 -9.933 738 1HD LYS 97 HD2 LYS 97 10.254 3.053 -10.709 739 2HD LYS 97 HD1 LYS 97 8.879 2.951 -11.812 740 1HE LYS 97 HE2 LYS 97 9.515 5.417 -12.377 741 2HE LYS 97 HE1 LYS 97 11.082 4.966 -11.706 742 1HZ LYS 97 HZ1 LYS 97 9.993 4.357 -14.247 743 2HZ LYS 97 HZ2 LYS 97 10.370 2.927 -13.427 744 3HZ LYS 97 HZ3 LYS 97 11.563 4.102 -13.672 Start of MODEL 5 1 1H MET 1 HT1 MET 1 -34.455 19.567 8.652 2 2H MET 1 HT2 MET 1 -34.325 19.142 6.995 3 3H MET 1 HT3 MET 1 -33.742 20.661 7.540 4 HA MET 1 HA MET 1 -32.581 18.024 7.729 5 1HB MET 1 HB1 MET 1 -32.005 20.603 6.672 6 2HB MET 1 HB2 MET 1 -30.784 20.244 7.885 7 1HG MET 1 HG2 MET 1 -31.212 17.942 6.243 8 2HG MET 1 HG1 MET 1 -30.903 19.350 5.230 9 1HE MET 1 HE1 MET 1 -27.989 17.733 4.706 10 2HE MET 1 HE2 MET 1 -27.525 19.431 4.827 11 3HE MET 1 HE3 MET 1 -29.114 18.993 4.200 12 H GLY 2 HN GLY 2 -33.755 20.325 9.883 13 1HA GLY 2 HA1 GLY 2 -31.681 19.928 11.889 14 2HA GLY 2 HA2 GLY 2 -33.100 20.952 12.045 15 H SER 3 HN SER 3 -34.400 18.260 10.893 16 HA SER 3 HA SER 3 -35.165 17.332 13.539 17 1HB SER 3 HB1 SER 3 -36.729 17.753 11.472 18 2HB SER 3 HB2 SER 3 -36.217 16.133 11.000 19 HG SER 3 HG SER 3 -37.297 15.296 12.633 20 H SER 4 HN SER 4 -34.172 15.737 10.504 21 HA SER 4 HA SER 4 -32.903 13.642 12.143 22 1HB SER 4 HB2 SER 4 -33.216 12.241 9.984 23 2HB SER 4 HB1 SER 4 -34.631 12.542 10.994 24 HG SER 4 HG SER 4 -33.896 13.980 8.659 25 H HIS 5 HN HIS 5 -30.775 13.389 11.938 26 HA HIS 5 HA HIS 5 -29.313 15.061 10.103 27 1HB HIS 5 HB1 HIS 5 -28.046 12.936 11.805 28 2HB HIS 5 HB2 HIS 5 -27.399 14.501 11.322 29 HD2 HIS 5 HD2 HIS 5 -27.822 13.321 14.497 30 HE1 HIS 5 HE1 HIS 5 -30.339 16.721 14.663 31 HE2 HIS 5 HE2 HIS 5 -29.074 15.000 16.030 32 H HIS 6 HN HIS 6 -27.286 13.921 9.069 33 HA HIS 6 HA HIS 6 -28.287 11.581 7.583 34 1HB HIS 6 HB1 HIS 6 -27.932 13.854 6.371 35 2HB HIS 6 HB2 HIS 6 -26.217 13.472 6.495 36 HD2 HIS 6 HD2 HIS 6 -25.721 10.723 5.376 37 HE1 HIS 6 HE1 HIS 6 -28.674 11.452 2.433 38 HE2 HIS 6 HE2 HIS 6 -26.717 9.983 3.097 39 H HIS 7 HN HIS 7 -27.338 9.884 8.568 40 HA HIS 7 HA HIS 7 -24.404 9.955 8.838 41 1HB HIS 7 HB2 HIS 7 -26.386 8.428 10.543 42 2HB HIS 7 HB1 HIS 7 -24.635 8.352 10.702 43 HD2 HIS 7 HD2 HIS 7 -24.137 11.637 10.554 44 HE1 HIS 7 HE1 HIS 7 -26.566 11.580 14.021 45 HE2 HIS 7 HE2 HIS 7 -24.903 12.934 12.666 46 H HIS 8 HN HIS 8 -26.444 8.986 6.722 47 HA HIS 8 HA HIS 8 -26.052 6.152 6.595 48 1HB HIS 8 HB1 HIS 8 -27.817 7.897 5.429 49 2HB HIS 8 HB2 HIS 8 -26.741 7.521 4.085 50 HD2 HIS 8 HD2 HIS 8 -28.224 5.771 2.675 51 HE1 HIS 8 HE1 HIS 8 -29.136 3.170 5.889 52 HE2 HIS 8 HE2 HIS 8 -29.322 3.529 3.384 53 H HIS 9 HN HIS 9 -24.378 8.959 5.420 54 HA HIS 9 HA HIS 9 -22.514 7.222 3.942 55 1HB HIS 9 HB1 HIS 9 -23.792 9.679 3.217 56 2HB HIS 9 HB2 HIS 9 -22.054 9.952 3.299 57 HD2 HIS 9 HD2 HIS 9 -24.576 7.643 1.363 58 HE1 HIS 9 HE1 HIS 9 -20.921 7.893 -0.760 59 HE2 HIS 9 HE2 HIS 9 -23.299 7.009 -0.805 60 H HIS 10 HN HIS 10 -20.944 6.712 5.356 61 HA HIS 10 HA HIS 10 -19.991 8.541 7.345 62 1HB HIS 10 HB1 HIS 10 -19.831 5.764 6.886 63 2HB HIS 10 HB2 HIS 10 -18.172 6.356 6.862 64 HD2 HIS 10 HD2 HIS 10 -17.427 7.782 9.268 65 HE1 HIS 10 HE1 HIS 10 -20.393 5.787 11.536 66 HE2 HIS 10 HE2 HIS 10 -18.300 7.215 11.646 67 H SER 11 HN SER 11 -18.722 7.268 4.286 68 HA SER 11 HA SER 11 -16.932 9.582 4.141 69 1HB SER 11 HB1 SER 11 -15.694 7.142 3.096 70 2HB SER 11 HB2 SER 11 -15.011 8.397 4.130 71 HG SER 11 HG SER 11 -15.321 7.135 5.767 72 H SER 12 HN SER 12 -15.903 9.703 1.898 73 HA SER 12 HA SER 12 -17.954 8.999 -0.094 74 1HB SER 12 HB1 SER 12 -17.592 11.434 0.277 75 2HB SER 12 HB2 SER 12 -15.912 11.233 -0.221 76 HG SER 12 HG SER 12 -18.255 11.119 -1.746 77 H GLY 13 HN GLY 13 -14.580 8.797 0.724 78 1HA GLY 13 HA2 GLY 13 -14.105 7.326 -1.796 79 2HA GLY 13 HA1 GLY 13 -12.873 8.297 -1.004 80 H LEU 14 HN LEU 14 -14.009 5.212 -1.448 81 HA LEU 14 HA LEU 14 -12.480 4.256 0.874 82 1HB LEU 14 HB2 LEU 14 -15.257 3.595 0.071 83 2HB LEU 14 HB1 LEU 14 -14.260 2.261 0.616 84 HG LEU 14 HG LEU 14 -14.568 4.761 2.259 85 1HD1 LEU 14 HD2 LEU 14 -16.806 4.058 1.983 86 2HD1 LEU 14 HD2 LEU 14 -16.283 3.423 3.543 87 3HD1 LEU 14 HD2 LEU 14 -16.370 2.357 2.140 88 1HD2 LEU 14 HD1 LEU 14 -12.733 3.307 2.865 89 2HD2 LEU 14 HD1 LEU 14 -13.818 1.917 2.914 90 3HD2 LEU 14 HD1 LEU 14 -13.999 3.218 4.090 91 H VAL 15 HN VAL 15 -12.698 1.539 0.377 92 HA VAL 15 HA VAL 15 -11.151 1.307 -2.111 93 HB VAL 15 HB VAL 15 -10.536 -0.984 -1.048 94 1HG1 VAL 15 HG1 VAL 15 -8.660 0.231 -1.111 95 2HG1 VAL 15 HG1 VAL 15 -8.976 0.554 0.594 96 3HG1 VAL 15 HG1 VAL 15 -9.492 1.711 -0.634 97 1HG2 VAL 15 HG2 VAL 15 -11.801 -1.310 0.811 98 2HG2 VAL 15 HG2 VAL 15 -11.921 0.414 1.167 99 3HG2 VAL 15 HG2 VAL 15 -10.445 -0.468 1.561 100 HA PRO 16 HA PRO 16 -10.331 -0.395 -3.233 101 1HB PRO 16 HB2 PRO 16 -10.547 -1.259 -5.755 102 2HB PRO 16 HB1 PRO 16 -10.584 -2.387 -4.393 103 1HG PRO 16 HG2 PRO 16 -12.851 -1.290 -6.012 104 2HG PRO 16 HG1 PRO 16 -12.593 -2.942 -5.422 105 1HD PRO 16 HD2 PRO 16 -14.234 -1.088 -4.206 106 2HD PRO 16 HD1 PRO 16 -13.498 -2.473 -3.377 107 H ARG 17 HN ARG 17 -13.131 0.634 -5.152 108 HA ARG 17 HA ARG 17 -11.558 2.834 -6.277 109 1HB ARG 17 HB1 ARG 17 -12.956 1.318 -7.749 110 2HB ARG 17 HB2 ARG 17 -14.377 2.036 -7.004 111 1HG ARG 17 HG1 ARG 17 -13.294 4.283 -7.748 112 2HG ARG 17 HG2 ARG 17 -12.396 3.256 -8.868 113 1HD ARG 17 HD1 ARG 17 -15.103 2.450 -8.974 114 2HD ARG 17 HD2 ARG 17 -15.079 4.212 -9.065 115 HE ARG 17 HE ARG 17 -13.318 3.759 -10.894 116 1HH1 ARG 17 HH1 ARG 17 -16.112 1.779 -10.235 117 2HH1 ARG 17 HH1 ARG 17 -16.254 1.214 -11.867 118 1HH2 ARG 17 HH2 ARG 17 -13.499 3.020 -13.040 119 2HH2 ARG 17 HH2 ARG 17 -14.768 1.920 -13.461 120 H GLY 18 HN GLY 18 -12.147 4.982 -6.047 121 1HA GLY 18 HA2 GLY 18 -13.961 5.504 -3.786 122 2HA GLY 18 HA1 GLY 18 -12.645 6.552 -4.293 123 H SER 19 HN SER 19 -13.789 8.407 -4.611 124 HA SER 19 HA SER 19 -16.108 8.329 -6.394 125 1HB SER 19 HB1 SER 19 -15.834 10.954 -5.629 126 2HB SER 19 HB2 SER 19 -16.835 9.761 -4.800 127 HG SER 19 HG SER 19 -14.931 11.079 -3.721 128 H HIS 20 HN HIS 20 -13.231 10.401 -5.965 129 HA HIS 20 HA HIS 20 -13.362 11.164 -8.769 130 1HB HIS 20 HB1 HIS 20 -11.701 12.088 -6.431 131 2HB HIS 20 HB2 HIS 20 -11.339 12.591 -8.080 132 HD2 HIS 20 HD2 HIS 20 -12.748 14.707 -8.971 133 HE1 HIS 20 HE1 HIS 20 -15.595 14.779 -5.839 134 HE2 HIS 20 HE2 HIS 20 -14.743 15.978 -7.906 135 H MET 21 HN MET 21 -11.581 10.951 -10.208 136 HA MET 21 HA MET 21 -10.358 8.403 -10.141 137 1HB MET 21 HB1 MET 21 -9.950 10.821 -11.894 138 2HB MET 21 HB2 MET 21 -9.049 9.329 -12.126 139 1HG MET 21 HG2 MET 21 -10.704 8.546 -13.354 140 2HG MET 21 HG1 MET 21 -11.764 8.616 -11.948 141 1HE MET 21 HE1 MET 21 -10.231 11.789 -14.096 142 2HE MET 21 HE2 MET 21 -11.437 11.624 -15.372 143 3HE MET 21 HE3 MET 21 -10.354 10.282 -15.005 144 H LYS 22 HN LYS 22 -8.253 7.781 -9.771 145 HA LYS 22 HA LYS 22 -6.708 9.580 -8.080 146 1HB LYS 22 HB1 LYS 22 -6.439 6.640 -8.715 147 2HB LYS 22 HB2 LYS 22 -5.295 7.519 -7.711 148 1HG LYS 22 HG2 LYS 22 -6.847 7.846 -6.007 149 2HG LYS 22 HG1 LYS 22 -8.217 7.500 -7.065 150 1HD LYS 22 HD2 LYS 22 -7.297 5.147 -7.261 151 2HD LYS 22 HD1 LYS 22 -6.208 5.566 -5.935 152 1HE LYS 22 HE2 LYS 22 -8.010 4.554 -4.863 153 2HE LYS 22 HE1 LYS 22 -8.333 6.278 -4.684 154 1HZ LYS 22 HZ1 LYS 22 -10.264 4.855 -5.388 155 2HZ LYS 22 HZ2 LYS 22 -9.491 4.664 -6.880 156 3HZ LYS 22 HZ3 LYS 22 -9.958 6.205 -6.361 157 H ASN 23 HN ASN 23 -5.556 10.995 -9.270 158 HA ASN 23 HA ASN 23 -3.995 9.965 -11.537 159 1HB ASN 23 HB1 ASN 23 -4.432 12.876 -10.888 160 2HB ASN 23 HB2 ASN 23 -3.959 12.160 -12.426 161 1HD2 ASN 23 HD2 ASN 23 -6.274 13.872 -11.415 162 2HD2 ASN 23 HD2 ASN 23 -7.669 13.089 -12.069 163 H ILE 24 HN ILE 24 -3.091 9.388 -8.950 164 HA ILE 24 HA ILE 24 -0.591 10.931 -8.921 165 HB ILE 24 HB ILE 24 -0.559 10.765 -6.430 166 1HG1 ILE 24 HG1 ILE 24 -3.525 10.370 -6.487 167 2HG1 ILE 24 HG1 ILE 24 -2.481 8.955 -6.582 168 1HG2 ILE 24 HG2 ILE 24 -2.522 12.514 -6.203 169 2HG2 ILE 24 HG2 ILE 24 -2.489 12.425 -7.963 170 3HG2 ILE 24 HG2 ILE 24 -1.041 12.901 -7.077 171 1HD1 ILE 24 HD1 ILE 24 -1.538 9.393 -4.466 172 2HD1 ILE 24 HD1 ILE 24 -3.282 9.587 -4.288 173 3HD1 ILE 24 HD1 ILE 24 -2.243 11.008 -4.407 174 H VAL 25 HN VAL 25 0.898 9.703 -7.140 175 HA VAL 25 HA VAL 25 1.654 7.289 -8.336 176 HB VAL 25 HB VAL 25 3.019 6.933 -6.233 177 1HG1 VAL 25 HG2 VAL 25 3.518 9.702 -7.199 178 2HG1 VAL 25 HG2 VAL 25 3.554 8.383 -8.370 179 3HG1 VAL 25 HG2 VAL 25 4.641 8.360 -6.982 180 1HG2 VAL 25 HG1 VAL 25 1.193 8.820 -5.205 181 2HG2 VAL 25 HG1 VAL 25 2.772 9.604 -5.245 182 3HG2 VAL 25 HG1 VAL 25 2.567 8.077 -4.386 183 HA PRO 26 HA PRO 26 -1.106 4.169 -6.898 184 1HB PRO 26 HB2 PRO 26 1.404 2.652 -6.320 185 2HB PRO 26 HB1 PRO 26 -0.048 2.137 -7.187 186 1HG PRO 26 HG1 PRO 26 2.141 2.810 -8.528 187 2HG PRO 26 HG2 PRO 26 0.539 3.291 -9.119 188 1HD PRO 26 HD2 PRO 26 2.640 4.931 -7.780 189 2HD PRO 26 HD1 PRO 26 1.478 5.393 -9.040 190 H ASP 27 HN ASP 27 1.667 3.301 -4.879 191 HA ASP 27 HA ASP 27 1.890 3.111 -2.625 192 1HB ASP 27 HB2 ASP 27 1.645 5.666 -2.922 193 2HB ASP 27 HB1 ASP 27 0.006 5.442 -2.317 194 H TYR 28 HN TYR 28 0.590 1.125 -3.009 195 HA TYR 28 HA TYR 28 -2.135 1.339 -1.911 196 1HB TYR 28 HB1 TYR 28 -0.876 -0.378 -3.918 197 2HB TYR 28 HB2 TYR 28 -1.859 -1.268 -2.760 198 HD1 TYR 28 HD1 TYR 28 -4.258 -1.007 -2.704 199 HD2 TYR 28 HD2 TYR 28 -1.896 1.285 -5.400 200 HE1 TYR 28 HE1 TYR 28 -6.290 -0.369 -3.934 201 HE2 TYR 28 HE2 TYR 28 -3.920 1.930 -6.637 202 HH TYR 28 HH TYR 28 -6.259 2.066 -6.400 203 H ARG 29 HN ARG 29 -2.864 -0.504 -0.520 204 HA ARG 29 HA ARG 29 -0.689 -1.503 1.182 205 1HB ARG 29 HB2 ARG 29 -2.010 0.597 2.024 206 2HB ARG 29 HB1 ARG 29 -3.258 -0.580 2.415 207 1HG ARG 29 HG2 ARG 29 -2.057 -1.501 4.108 208 2HG ARG 29 HG1 ARG 29 -0.503 -1.154 3.345 209 1HD ARG 29 HD2 ARG 29 -1.264 1.343 3.797 210 2HD ARG 29 HD1 ARG 29 -2.203 0.566 5.069 211 HE ARG 29 HE ARG 29 0.416 -0.388 5.219 212 1HH1 ARG 29 HH1 ARG 29 -1.338 2.589 5.664 213 2HH1 ARG 29 HH1 ARG 29 -0.233 3.215 6.842 214 1HH2 ARG 29 HH2 ARG 29 1.876 0.427 6.768 215 2HH2 ARG 29 HH2 ARG 29 1.594 1.986 7.469 216 H LEU 30 HN LEU 30 -0.978 -3.482 2.099 217 HA LEU 30 HA LEU 30 -3.512 -4.885 1.613 218 1HB LEU 30 HB1 LEU 30 -1.773 -5.469 -0.119 219 2HB LEU 30 HB2 LEU 30 -0.788 -6.119 1.176 220 HG LEU 30 HG LEU 30 -2.327 -7.671 -0.316 221 1HD1 LEU 30 HD2 LEU 30 -2.611 -8.544 2.436 222 2HD1 LEU 30 HD2 LEU 30 -0.997 -7.924 2.092 223 3HD1 LEU 30 HD2 LEU 30 -1.665 -9.236 1.119 224 1HD2 LEU 30 HD1 LEU 30 -4.462 -8.151 0.742 225 2HD2 LEU 30 HD1 LEU 30 -4.405 -6.473 0.204 226 3HD2 LEU 30 HD1 LEU 30 -4.195 -6.859 1.912 227 H ASP 31 HN ASP 31 -4.031 -4.632 3.806 228 HA ASP 31 HA ASP 31 -2.179 -5.799 5.746 229 1HB ASP 31 HB2 ASP 31 -4.105 -4.768 7.305 230 2HB ASP 31 HB1 ASP 31 -2.764 -3.807 6.687 231 H MET 32 HN MET 32 -2.883 -7.930 4.704 232 HA MET 32 HA MET 32 -5.050 -9.011 6.341 233 1HB MET 32 HB1 MET 32 -4.816 -9.199 3.357 234 2HB MET 32 HB2 MET 32 -5.603 -10.484 4.264 235 1HG MET 32 HG1 MET 32 -6.969 -8.523 5.303 236 2HG MET 32 HG2 MET 32 -6.450 -7.658 3.859 237 1HE MET 32 HE1 MET 32 -8.994 -7.283 3.210 238 2HE MET 32 HE2 MET 32 -9.533 -8.188 4.624 239 3HE MET 32 HE3 MET 32 -10.167 -8.588 3.028 240 H VAL 33 HN VAL 33 -3.984 -11.130 3.951 241 HA VAL 33 HA VAL 33 -1.879 -12.253 5.660 242 HB VAL 33 HB VAL 33 -4.070 -13.418 6.055 243 1HG1 VAL 33 HG2 VAL 33 -5.110 -13.375 3.938 244 2HG1 VAL 33 HG2 VAL 33 -4.720 -15.068 4.245 245 3HG1 VAL 33 HG2 VAL 33 -3.716 -14.117 3.152 246 1HG2 VAL 33 HG1 VAL 33 -2.012 -14.549 6.571 247 2HG2 VAL 33 HG1 VAL 33 -1.803 -15.025 4.885 248 3HG2 VAL 33 HG1 VAL 33 -3.126 -15.701 5.834 249 H GLY 34 HN GLY 34 -0.493 -13.812 4.531 250 1HA GLY 34 HA2 GLY 34 0.214 -12.857 1.926 251 2HA GLY 34 HA1 GLY 34 0.990 -14.169 2.801 252 H GLU 35 HN GLU 35 -2.379 -14.530 2.532 253 HA GLU 35 HA GLU 35 -1.995 -16.539 0.426 254 1HB GLU 35 HB1 GLU 35 -2.866 -17.660 2.268 255 2HB GLU 35 HB2 GLU 35 -3.879 -16.305 2.743 256 1HG GLU 35 HG2 GLU 35 -5.556 -16.872 1.317 257 2HG GLU 35 HG1 GLU 35 -4.469 -17.644 0.164 258 HA PRO 36 HA PRO 36 -4.350 -13.748 -2.150 259 1HB PRO 36 HB2 PRO 36 -4.290 -15.205 -4.411 260 2HB PRO 36 HB1 PRO 36 -2.863 -14.356 -3.805 261 1HG PRO 36 HG2 PRO 36 -3.595 -17.250 -3.568 262 2HG PRO 36 HG1 PRO 36 -2.022 -16.521 -3.939 263 1HD PRO 36 HD2 PRO 36 -2.719 -17.438 -1.459 264 2HD PRO 36 HD1 PRO 36 -1.544 -16.138 -1.729 265 H CYS 37 HN CYS 37 -6.385 -13.871 -1.179 266 HA CYS 37 HA CYS 37 -8.176 -15.885 -2.357 267 1HB CYS 37 HB1 CYS 37 -7.854 -15.074 0.478 268 2HB CYS 37 HB2 CYS 37 -9.503 -15.320 -0.087 269 HG CYS 37 HG CYS 37 -7.984 -17.728 -0.862 270 HA PRO 38 HA PRO 38 -10.704 -11.881 -2.093 271 1HB PRO 38 HB1 PRO 38 -9.889 -9.741 -0.730 272 2HB PRO 38 HB2 PRO 38 -10.554 -11.149 0.108 273 1HG PRO 38 HG2 PRO 38 -7.706 -10.304 -0.221 274 2HG PRO 38 HG1 PRO 38 -8.512 -11.003 1.194 275 1HD PRO 38 HD2 PRO 38 -6.954 -12.410 -0.635 276 2HD PRO 38 HD1 PRO 38 -8.125 -13.130 0.486 277 H TYR 39 HN TYR 39 -9.019 -9.122 -1.793 278 HA TYR 39 HA TYR 39 -7.928 -9.208 -4.526 279 1HB TYR 39 HB2 TYR 39 -9.478 -6.931 -3.268 280 2HB TYR 39 HB1 TYR 39 -8.735 -6.903 -4.863 281 HD1 TYR 39 HD1 TYR 39 -9.809 -7.903 -6.742 282 HD2 TYR 39 HD2 TYR 39 -11.430 -8.412 -2.841 283 HE1 TYR 39 HE1 TYR 39 -11.873 -8.810 -7.725 284 HE2 TYR 39 HE2 TYR 39 -13.498 -9.321 -3.813 285 HH TYR 39 HH TYR 39 -14.480 -10.063 -5.689 286 HA PRO 40 HA PRO 40 -4.831 -7.488 -1.510 287 1HB PRO 40 HB1 PRO 40 -2.959 -9.397 -1.632 288 2HB PRO 40 HB2 PRO 40 -4.397 -9.577 -0.620 289 1HG PRO 40 HG2 PRO 40 -3.803 -10.755 -3.304 290 2HG PRO 40 HG1 PRO 40 -4.588 -11.501 -1.902 291 1HD PRO 40 HD2 PRO 40 -5.922 -10.453 -4.083 292 2HD PRO 40 HD1 PRO 40 -6.637 -10.684 -2.477 293 H ALA 41 HN ALA 41 -2.609 -9.315 -3.356 294 HA ALA 41 HA ALA 41 -1.233 -7.100 -4.333 295 1HB ALA 41 HB1 ALA 41 -0.834 -9.510 -5.918 296 2HB ALA 41 HB2 ALA 41 -0.748 -9.789 -4.179 297 3HB ALA 41 HB3 ALA 41 0.308 -8.593 -4.935 298 H VAL 42 HN VAL 42 -4.194 -8.058 -5.373 299 HA VAL 42 HA VAL 42 -4.167 -8.138 -8.123 300 HB VAL 42 HB VAL 42 -6.183 -6.777 -6.330 301 1HG1 VAL 42 HG1 VAL 42 -6.569 -5.892 -8.483 302 2HG1 VAL 42 HG1 VAL 42 -7.736 -7.199 -8.289 303 3HG1 VAL 42 HG1 VAL 42 -6.285 -7.450 -9.260 304 1HG2 VAL 42 HG2 VAL 42 -7.369 -9.035 -7.171 305 2HG2 VAL 42 HG2 VAL 42 -6.419 -8.932 -5.689 306 3HG2 VAL 42 HG2 VAL 42 -5.687 -9.565 -7.163 307 H ALA 43 HN ALA 43 -3.831 -5.356 -5.999 308 HA ALA 43 HA ALA 43 -4.003 -3.395 -8.081 309 1HB ALA 43 HB1 ALA 43 -4.490 -2.972 -5.658 310 2HB ALA 43 HB2 ALA 43 -3.416 -1.798 -6.421 311 3HB ALA 43 HB3 ALA 43 -2.752 -3.047 -5.366 312 H THR 44 HN THR 44 -1.427 -5.194 -6.526 313 HA THR 44 HA THR 44 0.766 -3.708 -7.438 314 HB THR 44 HB THR 44 1.032 -6.660 -7.207 315 HG1 THR 44 HG1 THR 44 0.605 -5.089 -4.905 316 1HG2 THR 44 HG2 THR 44 2.913 -6.070 -5.761 317 2HG2 THR 44 HG2 THR 44 2.530 -4.362 -5.978 318 3HG2 THR 44 HG2 THR 44 3.040 -5.334 -7.359 319 H LEU 45 HN LEU 45 -0.845 -6.540 -8.857 320 HA LEU 45 HA LEU 45 0.871 -6.786 -11.073 321 1HB LEU 45 HB1 LEU 45 -1.943 -7.705 -10.554 322 2HB LEU 45 HB2 LEU 45 -1.139 -8.025 -12.078 323 HG LEU 45 HG LEU 45 -0.214 -8.961 -9.359 324 1HD1 LEU 45 HD1 LEU 45 -2.014 -10.076 -11.338 325 2HD1 LEU 45 HD1 LEU 45 -1.691 -10.593 -9.683 326 3HD1 LEU 45 HD1 LEU 45 -0.653 -11.143 -10.997 327 1HD2 LEU 45 HD2 LEU 45 1.200 -10.414 -11.123 328 2HD2 LEU 45 HD2 LEU 45 1.791 -8.923 -10.389 329 3HD2 LEU 45 HD2 LEU 45 1.082 -8.891 -12.005 330 H GLU 46 HN GLU 46 -2.276 -5.161 -10.734 331 HA GLU 46 HA GLU 46 -2.350 -4.256 -13.433 332 1HB GLU 46 HB1 GLU 46 -4.278 -2.997 -12.797 333 2HB GLU 46 HB2 GLU 46 -4.346 -4.523 -11.928 334 1HG GLU 46 HG2 GLU 46 -4.245 -3.531 -9.935 335 2HG GLU 46 HG1 GLU 46 -2.990 -2.405 -10.452 336 H ALA 47 HN ALA 47 -0.520 -3.316 -10.796 337 HA ALA 47 HA ALA 47 -0.359 -0.496 -11.322 338 1HB ALA 47 HB1 ALA 47 1.888 -1.097 -9.883 339 2HB ALA 47 HB2 ALA 47 0.771 -2.370 -9.390 340 3HB ALA 47 HB3 ALA 47 0.318 -0.676 -9.200 341 H MET 48 HN MET 48 1.527 -3.362 -12.131 342 HA MET 48 HA MET 48 3.802 -2.192 -13.143 343 1HB MET 48 HB1 MET 48 4.335 -4.321 -13.480 344 2HB MET 48 HB2 MET 48 2.680 -4.771 -13.102 345 1HG MET 48 HG1 MET 48 3.058 -5.774 -15.144 346 2HG MET 48 HG2 MET 48 2.193 -4.298 -15.568 347 1HE MET 48 HE1 MET 48 6.038 -5.999 -16.478 348 2HE MET 48 HE2 MET 48 5.012 -5.866 -17.907 349 3HE MET 48 HE3 MET 48 4.379 -6.597 -16.431 350 HA PRO 49 HA PRO 49 1.696 -1.762 -17.488 351 1HB PRO 49 HB2 PRO 49 -1.162 -1.526 -16.862 352 2HB PRO 49 HB1 PRO 49 -0.364 -2.516 -18.087 353 1HG PRO 49 HG2 PRO 49 -1.505 -3.597 -15.902 354 2HG PRO 49 HG1 PRO 49 -0.048 -4.284 -16.644 355 1HD PRO 49 HD2 PRO 49 -0.297 -2.550 -14.214 356 2HD PRO 49 HD1 PRO 49 0.725 -3.979 -14.475 357 H GLN 50 HN GLN 50 -0.585 -0.381 -15.121 358 HA GLN 50 HA GLN 50 -0.422 2.238 -16.263 359 1HB GLN 50 HB1 GLN 50 -1.487 1.754 -13.510 360 2HB GLN 50 HB2 GLN 50 -2.075 2.844 -14.756 361 1HG GLN 50 HG2 GLN 50 -2.710 0.730 -16.046 362 2HG GLN 50 HG1 GLN 50 -2.471 -0.114 -14.517 363 1HE2 GLN 50 HE2 GLN 50 -4.899 0.215 -16.066 364 2HE2 GLN 50 HE2 GLN 50 -6.036 1.002 -15.030 365 H LEU 51 HN LEU 51 2.050 0.886 -15.066 366 HA LEU 51 HA LEU 51 2.924 2.000 -12.740 367 1HB LEU 51 HB2 LEU 51 5.020 1.336 -13.350 368 2HB LEU 51 HB1 LEU 51 4.066 0.409 -14.487 369 HG LEU 51 HG LEU 51 4.694 2.938 -15.668 370 1HD1 LEU 51 HD2 LEU 51 6.763 3.386 -15.018 371 2HD1 LEU 51 HD2 LEU 51 7.279 1.792 -15.569 372 3HD1 LEU 51 HD2 LEU 51 6.727 2.015 -13.908 373 1HD2 LEU 51 HD1 LEU 51 5.998 1.301 -17.201 374 2HD2 LEU 51 HD1 LEU 51 4.239 1.198 -17.116 375 3HD2 LEU 51 HD1 LEU 51 5.234 0.053 -16.218 376 H LYS 52 HN LYS 52 4.225 3.809 -12.202 377 HA LYS 52 HA LYS 52 3.829 6.123 -13.982 378 1HB LYS 52 HB2 LYS 52 3.805 5.994 -10.963 379 2HB LYS 52 HB1 LYS 52 3.823 7.495 -11.877 380 1HG LYS 52 HG1 LYS 52 1.713 6.361 -13.027 381 2HG LYS 52 HG2 LYS 52 1.636 5.547 -11.463 382 1HD LYS 52 HD1 LYS 52 0.470 7.370 -10.842 383 2HD LYS 52 HD2 LYS 52 2.067 8.106 -10.685 384 1HE LYS 52 HE2 LYS 52 0.989 8.195 -13.400 385 2HE LYS 52 HE1 LYS 52 0.014 9.070 -12.220 386 1HZ LYS 52 HZ1 LYS 52 1.500 10.694 -12.180 387 2HZ LYS 52 HZ2 LYS 52 2.334 9.937 -13.441 388 3HZ LYS 52 HZ3 LYS 52 2.765 9.625 -11.835 389 H LYS 53 HN LYS 53 5.395 7.909 -12.426 390 HA LYS 53 HA LYS 53 8.065 6.903 -13.101 391 1HB LYS 53 HB1 LYS 53 7.480 9.765 -12.424 392 2HB LYS 53 HB2 LYS 53 8.738 9.107 -13.460 393 1HG LYS 53 HG2 LYS 53 6.269 8.388 -14.614 394 2HG LYS 53 HG1 LYS 53 6.161 10.092 -14.168 395 1HD LYS 53 HD1 LYS 53 7.463 10.672 -15.874 396 2HD LYS 53 HD2 LYS 53 8.722 9.555 -15.341 397 1HE LYS 53 HE2 LYS 53 6.307 8.686 -16.913 398 2HE LYS 53 HE1 LYS 53 7.821 9.177 -17.670 399 1HZ LYS 53 HZ1 LYS 53 8.909 7.331 -16.904 400 2HZ LYS 53 HZ2 LYS 53 7.363 6.688 -17.140 401 3HZ LYS 53 HZ3 LYS 53 7.876 7.110 -15.584 402 H GLY 54 HN GLY 54 7.321 5.748 -10.848 403 1HA GLY 54 HA2 GLY 54 8.996 5.712 -8.956 404 2HA GLY 54 HA1 GLY 54 8.504 7.376 -8.683 405 H GLU 55 HN GLU 55 6.717 4.352 -9.300 406 HA GLU 55 HA GLU 55 4.639 5.038 -7.500 407 1HB GLU 55 HB1 GLU 55 3.607 3.102 -8.172 408 2HB GLU 55 HB2 GLU 55 4.699 3.357 -9.522 409 1HG GLU 55 HG1 GLU 55 5.522 1.335 -9.207 410 2HG GLU 55 HG2 GLU 55 6.109 1.834 -7.622 411 H ILE 56 HN ILE 56 3.994 3.215 -5.826 412 HA ILE 56 HA ILE 56 6.174 2.130 -4.305 413 HB ILE 56 HB ILE 56 4.799 4.631 -3.413 414 1HG1 ILE 56 HG1 ILE 56 7.414 4.192 -2.328 415 2HG1 ILE 56 HG1 ILE 56 7.445 3.820 -4.049 416 1HG2 ILE 56 HG2 ILE 56 5.839 2.516 -1.533 417 2HG2 ILE 56 HG2 ILE 56 4.163 3.045 -1.695 418 3HG2 ILE 56 HG2 ILE 56 5.383 4.158 -1.072 419 1HD1 ILE 56 HD1 ILE 56 7.974 6.057 -4.007 420 2HD1 ILE 56 HD1 ILE 56 6.859 6.404 -2.685 421 3HD1 ILE 56 HD1 ILE 56 6.236 6.093 -4.305 422 H LEU 57 HN LEU 57 5.462 0.686 -2.676 423 HA LEU 57 HA LEU 57 2.565 0.264 -2.509 424 1HB LEU 57 HB2 LEU 57 3.683 -1.306 -4.132 425 2HB LEU 57 HB1 LEU 57 4.514 -2.010 -2.780 426 HG LEU 57 HG LEU 57 2.203 -2.457 -1.800 427 1HD1 LEU 57 HD2 LEU 57 0.896 -2.617 -4.340 428 2HD1 LEU 57 HD2 LEU 57 1.422 -0.959 -4.044 429 3HD1 LEU 57 HD2 LEU 57 0.387 -1.780 -2.874 430 1HD2 LEU 57 HD1 LEU 57 2.931 -4.464 -2.441 431 2HD2 LEU 57 HD1 LEU 57 3.638 -3.827 -3.926 432 3HD2 LEU 57 HD1 LEU 57 1.925 -4.244 -3.873 433 H GLU 58 HN GLU 58 1.952 -1.138 -0.736 434 HA GLU 58 HA GLU 58 3.948 -1.513 1.277 435 1HB GLU 58 HB1 GLU 58 1.545 -0.279 2.448 436 2HB GLU 58 HB2 GLU 58 3.238 0.001 2.821 437 1HG GLU 58 HG1 GLU 58 3.427 1.728 1.357 438 2HG GLU 58 HG2 GLU 58 2.208 1.085 0.252 439 H VAL 59 HN VAL 59 3.532 -3.278 2.563 440 HA VAL 59 HA VAL 59 0.845 -4.444 2.475 441 HB VAL 59 HB VAL 59 3.306 -6.062 1.826 442 1HG1 VAL 59 HG2 VAL 59 0.402 -6.717 2.172 443 2HG1 VAL 59 HG2 VAL 59 1.814 -7.507 2.876 444 3HG1 VAL 59 HG2 VAL 59 1.447 -7.719 1.165 445 1HG2 VAL 59 HG1 VAL 59 1.104 -5.043 0.038 446 2HG2 VAL 59 HG1 VAL 59 2.270 -6.282 -0.426 447 3HG2 VAL 59 HG1 VAL 59 2.821 -4.649 -0.051 448 H VAL 60 HN VAL 60 0.259 -5.513 4.271 449 HA VAL 60 HA VAL 60 2.258 -6.251 6.267 450 HB VAL 60 HB VAL 60 -0.176 -4.577 6.914 451 1HG1 VAL 60 HG1 VAL 60 0.159 -4.948 9.131 452 2HG1 VAL 60 HG1 VAL 60 1.896 -5.190 8.943 453 3HG1 VAL 60 HG1 VAL 60 0.774 -6.482 8.514 454 1HG2 VAL 60 HG2 VAL 60 1.456 -3.119 6.046 455 2HG2 VAL 60 HG2 VAL 60 2.765 -3.958 6.878 456 3HG2 VAL 60 HG2 VAL 60 1.608 -2.998 7.799 457 H SER 61 HN SER 61 1.909 -8.404 6.372 458 HA SER 61 HA SER 61 -0.793 -9.317 6.991 459 1HB SER 61 HB1 SER 61 0.399 -11.147 5.099 460 2HB SER 61 HB2 SER 61 -1.163 -10.332 5.026 461 HG SER 61 HG SER 61 1.294 -9.102 4.323 462 H ASP 62 HN ASP 62 -0.629 -11.895 7.135 463 HA ASP 62 HA ASP 62 1.713 -12.469 8.834 464 1HB ASP 62 HB2 ASP 62 -1.021 -12.517 9.495 465 2HB ASP 62 HB1 ASP 62 -0.515 -14.199 9.380 466 H CYS 63 HN CYS 63 3.021 -13.982 8.075 467 HA CYS 63 HA CYS 63 1.953 -16.338 6.761 468 1HB CYS 63 HB1 CYS 63 2.579 -14.330 5.097 469 2HB CYS 63 HB2 CYS 63 4.180 -15.039 5.280 470 HG CYS 63 HG CYS 63 2.532 -16.028 3.277 471 HA PRO 64 HA PRO 64 5.253 -17.696 9.549 472 1HB PRO 64 HB2 PRO 64 4.378 -20.324 8.485 473 2HB PRO 64 HB1 PRO 64 4.563 -19.792 10.159 474 1HG PRO 64 HG1 PRO 64 2.143 -20.086 9.080 475 2HG PRO 64 HG2 PRO 64 2.491 -18.754 10.198 476 1HD PRO 64 HD1 PRO 64 2.260 -18.716 7.214 477 2HD PRO 64 HD2 PRO 64 1.698 -17.524 8.404 478 H GLN 65 HN GLN 65 4.757 -18.519 6.185 479 HA GLN 65 HA GLN 65 7.273 -19.811 5.804 480 1HB GLN 65 HB1 GLN 65 5.499 -18.520 3.724 481 2HB GLN 65 HB2 GLN 65 6.755 -19.716 3.437 482 1HG GLN 65 HG1 GLN 65 5.432 -21.430 4.002 483 2HG GLN 65 HG2 GLN 65 4.690 -20.552 5.339 484 1HE2 GLN 65 HE2 GLN 65 2.677 -19.877 5.098 485 2HE2 GLN 65 HE2 GLN 65 1.810 -19.801 3.605 486 H SER 66 HN SER 66 8.503 -18.762 3.693 487 HA SER 66 HA SER 66 9.416 -16.144 4.671 488 1HB SER 66 HB2 SER 66 10.931 -17.963 2.796 489 2HB SER 66 HB1 SER 66 11.560 -16.627 3.761 490 HG SER 66 HG SER 66 12.039 -18.197 5.089 491 H ILE 67 HN ILE 67 8.123 -17.836 1.927 492 HA ILE 67 HA ILE 67 8.746 -15.910 -0.058 493 HB ILE 67 HB ILE 67 6.331 -17.693 -0.177 494 1HG1 ILE 67 HG1 ILE 67 8.754 -18.832 -1.328 495 2HG1 ILE 67 HG1 ILE 67 8.890 -18.617 0.415 496 1HG2 ILE 67 HG2 ILE 67 6.256 -16.660 -2.164 497 2HG2 ILE 67 HG2 ILE 67 7.570 -17.751 -2.603 498 3HG2 ILE 67 HG2 ILE 67 7.929 -16.114 -2.052 499 1HD1 ILE 67 HD1 ILE 67 7.269 -20.495 -1.134 500 2HD1 ILE 67 HD1 ILE 67 6.432 -19.734 0.219 501 3HD1 ILE 67 HD1 ILE 67 7.926 -20.630 0.497 502 H ASN 68 HN ASN 68 7.748 -14.077 -0.657 503 HA ASN 68 HA ASN 68 5.527 -13.153 1.002 504 1HB ASN 68 HB2 ASN 68 6.237 -11.066 -0.684 505 2HB ASN 68 HB1 ASN 68 6.769 -11.286 0.980 506 1HD2 ASN 68 HD2 ASN 68 8.850 -11.756 1.391 507 2HD2 ASN 68 HD2 ASN 68 10.066 -11.938 0.177 508 H ASN 69 HN ASN 69 3.529 -12.729 0.248 509 HA ASN 69 HA ASN 69 2.742 -13.894 -2.224 510 1HB ASN 69 HB1 ASN 69 1.386 -13.744 -0.062 511 2HB ASN 69 HB2 ASN 69 1.034 -12.081 -0.525 512 1HD2 ASN 69 HD2 ASN 69 -0.857 -11.870 -1.444 513 2HD2 ASN 69 HD2 ASN 69 -1.631 -13.019 -2.476 514 H ILE 70 HN ILE 70 1.878 -10.616 -1.160 515 HA ILE 70 HA ILE 70 1.212 -9.576 -3.580 516 HB ILE 70 HB ILE 70 2.675 -7.887 -1.569 517 1HG1 ILE 70 HG1 ILE 70 1.141 -9.165 -0.242 518 2HG1 ILE 70 HG1 ILE 70 0.409 -7.580 -0.489 519 1HG2 ILE 70 HG2 ILE 70 1.426 -6.102 -2.398 520 2HG2 ILE 70 HG2 ILE 70 0.240 -7.161 -3.161 521 3HG2 ILE 70 HG2 ILE 70 1.862 -7.018 -3.840 522 1HD1 ILE 70 HD1 ILE 70 -0.271 -10.008 -2.128 523 2HD1 ILE 70 HD1 ILE 70 -1.101 -8.452 -2.108 524 3HD1 ILE 70 HD1 ILE 70 -1.158 -9.499 -0.690 525 HA PRO 71 HA PRO 71 5.784 -7.955 -4.310 526 1HB PRO 71 HB2 PRO 71 7.263 -10.073 -2.844 527 2HB PRO 71 HB1 PRO 71 7.618 -8.348 -2.998 528 1HG PRO 71 HG2 PRO 71 6.645 -9.320 -0.726 529 2HG PRO 71 HG1 PRO 71 6.092 -7.754 -1.351 530 1HD PRO 71 HD2 PRO 71 4.734 -10.424 -1.452 531 2HD PRO 71 HD1 PRO 71 4.043 -8.822 -1.121 532 H LEU 72 HN LEU 72 5.083 -11.400 -3.931 533 HA LEU 72 HA LEU 72 6.753 -12.365 -5.974 534 1HB LEU 72 HB1 LEU 72 5.534 -13.712 -4.211 535 2HB LEU 72 HB2 LEU 72 4.089 -13.536 -5.187 536 HG LEU 72 HG LEU 72 5.794 -14.530 -7.038 537 1HD1 LEU 72 HD1 LEU 72 6.513 -16.145 -4.635 538 2HD1 LEU 72 HD1 LEU 72 7.457 -14.714 -5.041 539 3HD1 LEU 72 HD1 LEU 72 7.320 -16.036 -6.199 540 1HD2 LEU 72 HD2 LEU 72 3.592 -15.454 -5.479 541 2HD2 LEU 72 HD2 LEU 72 4.738 -16.776 -5.700 542 3HD2 LEU 72 HD2 LEU 72 4.081 -15.934 -7.104 543 H ASP 73 HN ASP 73 3.637 -10.829 -6.043 544 HA ASP 73 HA ASP 73 2.917 -11.597 -8.687 545 1HB ASP 73 HB2 ASP 73 1.956 -9.553 -6.725 546 2HB ASP 73 HB1 ASP 73 1.445 -9.421 -8.406 547 H ALA 74 HN ALA 74 4.235 -8.568 -7.346 548 HA ALA 74 HA ALA 74 4.590 -7.339 -9.883 549 1HB ALA 74 HB1 ALA 74 5.381 -6.720 -7.093 550 2HB ALA 74 HB2 ALA 74 4.498 -5.743 -8.266 551 3HB ALA 74 HB3 ALA 74 6.250 -5.907 -8.394 552 H ARG 75 HN ARG 75 6.516 -9.481 -7.950 553 HA ARG 75 HA ARG 75 9.008 -8.987 -9.249 554 1HB ARG 75 HB1 ARG 75 8.926 -9.959 -7.012 555 2HB ARG 75 HB2 ARG 75 8.051 -11.355 -7.627 556 1HG ARG 75 HG1 ARG 75 9.919 -12.222 -8.688 557 2HG ARG 75 HG2 ARG 75 10.753 -10.665 -8.706 558 1HD ARG 75 HD2 ARG 75 11.303 -10.798 -6.443 559 2HD ARG 75 HD1 ARG 75 10.089 -12.036 -6.126 560 HE ARG 75 HE ARG 75 12.682 -12.453 -7.436 561 1HH1 ARG 75 HH2 ARG 75 9.774 -13.730 -5.999 562 2HH1 ARG 75 HH2 ARG 75 10.375 -15.352 -5.917 563 1HH2 ARG 75 HH1 ARG 75 13.478 -14.585 -7.333 564 2HH2 ARG 75 HH1 ARG 75 12.480 -15.838 -6.676 565 H ASN 76 HN ASN 76 6.332 -11.210 -9.741 566 HA ASN 76 HA ASN 76 7.581 -12.910 -11.610 567 1HB ASN 76 HB2 ASN 76 5.456 -13.436 -10.423 568 2HB ASN 76 HB1 ASN 76 4.640 -12.222 -11.404 569 1HD2 ASN 76 HD2 ASN 76 3.764 -12.855 -13.244 570 2HD2 ASN 76 HD2 ASN 76 4.081 -14.349 -14.051 571 H HIS 77 HN HIS 77 5.238 -10.277 -12.191 572 HA HIS 77 HA HIS 77 5.607 -10.244 -14.991 573 1HB HIS 77 HB1 HIS 77 4.200 -8.616 -12.990 574 2HB HIS 77 HB2 HIS 77 4.751 -7.704 -14.392 575 HD2 HIS 77 HD2 HIS 77 1.552 -8.650 -13.639 576 HE1 HIS 77 HE1 HIS 77 2.030 -10.618 -17.357 577 HE2 HIS 77 HE2 HIS 77 0.356 -9.793 -15.640 578 H GLY 78 HN GLY 78 7.045 -8.370 -12.360 579 1HA GLY 78 HA1 GLY 78 9.329 -7.672 -12.452 580 2HA GLY 78 HA2 GLY 78 9.203 -7.605 -14.203 581 H TYR 79 HN TYR 79 8.954 -5.865 -11.279 582 HA TYR 79 HA TYR 79 7.846 -3.534 -12.684 583 1HB TYR 79 HB2 TYR 79 7.043 -4.545 -10.304 584 2HB TYR 79 HB1 TYR 79 8.244 -3.381 -9.754 585 HD1 TYR 79 HD1 TYR 79 4.921 -3.697 -10.012 586 HD2 TYR 79 HD2 TYR 79 7.978 -1.105 -11.441 587 HE1 TYR 79 HE1 TYR 79 3.271 -1.890 -10.249 588 HE2 TYR 79 HE2 TYR 79 6.336 0.710 -11.681 589 HH TYR 79 HH TYR 79 3.126 0.463 -10.417 590 H THR 80 HN THR 80 9.563 -2.902 -9.793 591 HA THR 80 HA THR 80 12.024 -2.259 -11.233 592 HB THR 80 HB THR 80 10.391 -0.276 -9.642 593 HG1 THR 80 HG1 THR 80 10.990 -0.660 -12.329 594 1HG2 THR 80 HG2 THR 80 12.113 1.104 -9.372 595 2HG2 THR 80 HG2 THR 80 12.796 0.719 -10.950 596 3HG2 THR 80 HG2 THR 80 13.109 -0.337 -9.573 597 H VAL 81 HN VAL 81 10.731 -1.467 -8.009 598 HA VAL 81 HA VAL 81 13.010 -2.936 -6.852 599 HB VAL 81 HB VAL 81 11.594 -0.539 -5.680 600 1HG1 VAL 81 HG1 VAL 81 13.769 -2.334 -4.694 601 2HG1 VAL 81 HG1 VAL 81 12.375 -1.682 -3.833 602 3HG1 VAL 81 HG1 VAL 81 13.743 -0.638 -4.212 603 1HG2 VAL 81 HG2 VAL 81 12.877 0.655 -7.056 604 2HG2 VAL 81 HG2 VAL 81 13.783 -0.770 -7.564 605 3HG2 VAL 81 HG2 VAL 81 14.254 0.101 -6.105 606 H LEU 82 HN LEU 82 12.448 -4.709 -5.822 607 HA LEU 82 HA LEU 82 9.867 -4.807 -4.410 608 1HB LEU 82 HB2 LEU 82 11.080 -6.648 -6.366 609 2HB LEU 82 HB1 LEU 82 10.450 -7.431 -4.930 610 HG LEU 82 HG LEU 82 8.824 -7.394 -6.781 611 1HD1 LEU 82 HD1 LEU 82 7.026 -6.042 -5.388 612 2HD1 LEU 82 HD1 LEU 82 8.302 -6.090 -4.171 613 3HD1 LEU 82 HD1 LEU 82 7.662 -7.593 -4.839 614 1HD2 LEU 82 HD2 LEU 82 8.559 -4.436 -6.407 615 2HD2 LEU 82 HD2 LEU 82 7.957 -5.454 -7.716 616 3HD2 LEU 82 HD2 LEU 82 9.682 -5.105 -7.591 617 H ASP 83 HN ASP 83 10.529 -4.476 -2.331 618 HA ASP 83 HA ASP 83 12.518 -6.372 -1.270 619 1HB ASP 83 HB1 ASP 83 12.296 -3.412 -0.872 620 2HB ASP 83 HB2 ASP 83 12.943 -4.408 0.429 621 H ILE 84 HN ILE 84 12.278 -6.903 0.994 622 HA ILE 84 HA ILE 84 9.660 -6.302 2.158 623 HB ILE 84 HB ILE 84 9.172 -8.584 2.700 624 1HG1 ILE 84 HG1 ILE 84 11.517 -9.361 2.969 625 2HG1 ILE 84 HG1 ILE 84 10.536 -10.460 2.005 626 1HG2 ILE 84 HG2 ILE 84 8.325 -9.174 0.692 627 2HG2 ILE 84 HG2 ILE 84 9.855 -8.936 -0.152 628 3HG2 ILE 84 HG2 ILE 84 8.855 -7.545 0.271 629 1HD1 ILE 84 HD1 ILE 84 11.708 -8.738 0.162 630 2HD1 ILE 84 HD1 ILE 84 12.134 -10.419 0.484 631 3HD1 ILE 84 HD1 ILE 84 12.977 -9.119 1.325 632 H GLN 85 HN GLN 85 9.513 -7.128 4.439 633 HA GLN 85 HA GLN 85 12.007 -7.524 5.840 634 1HB GLN 85 HB1 GLN 85 11.413 -4.943 5.445 635 2HB GLN 85 HB2 GLN 85 10.427 -5.224 6.874 636 1HG GLN 85 HG2 GLN 85 12.305 -5.791 8.181 637 2HG GLN 85 HG1 GLN 85 13.343 -5.926 6.761 638 1HE2 GLN 85 HE2 GLN 85 14.842 -4.426 7.256 639 2HE2 GLN 85 HE2 GLN 85 14.509 -2.742 7.453 640 H GLN 86 HN GLN 86 11.709 -8.224 8.010 641 HA GLN 86 HA GLN 86 8.917 -8.819 8.734 642 1HB GLN 86 HB1 GLN 86 10.022 -10.924 9.845 643 2HB GLN 86 HB2 GLN 86 9.600 -10.937 8.139 644 1HG GLN 86 HG1 GLN 86 12.161 -9.953 8.122 645 2HG GLN 86 HG2 GLN 86 12.198 -11.141 9.425 646 1HE2 GLN 86 HE2 GLN 86 11.149 -10.728 6.071 647 2HE2 GLN 86 HE2 GLN 86 11.492 -12.348 5.579 648 H ASP 87 HN ASP 87 8.524 -9.112 11.025 649 HA ASP 87 HA ASP 87 10.544 -7.785 12.712 650 1HB ASP 87 HB1 ASP 87 7.893 -7.358 13.737 651 2HB ASP 87 HB2 ASP 87 9.097 -6.166 13.256 652 H GLY 88 HN GLY 88 7.378 -9.058 13.613 653 1HA GLY 88 HA2 GLY 88 8.762 -11.122 15.214 654 2HA GLY 88 HA1 GLY 88 7.365 -10.235 15.807 655 HA PRO 89 HA PRO 89 5.154 -13.761 14.179 656 1HB PRO 89 HB1 PRO 89 2.700 -13.099 15.034 657 2HB PRO 89 HB2 PRO 89 3.958 -13.625 16.159 658 1HG PRO 89 HG2 PRO 89 3.018 -10.854 15.524 659 2HG PRO 89 HG1 PRO 89 3.404 -11.570 17.100 660 1HD PRO 89 HD1 PRO 89 5.119 -9.960 15.689 661 2HD PRO 89 HD2 PRO 89 5.648 -11.186 16.857 662 H THR 90 HN THR 90 5.367 -10.826 12.863 663 HA THR 90 HA THR 90 3.427 -11.465 10.757 664 HB THR 90 HB THR 90 2.671 -9.194 10.598 665 HG1 THR 90 HG1 THR 90 4.669 -8.668 12.526 666 1HG2 THR 90 HG2 THR 90 1.500 -8.836 12.608 667 2HG2 THR 90 HG2 THR 90 2.689 -9.741 13.546 668 3HG2 THR 90 HG2 THR 90 1.637 -10.584 12.409 669 H ILE 91 HN ILE 91 3.830 -9.831 8.854 670 HA ILE 91 HA ILE 91 6.630 -9.149 8.512 671 HB ILE 91 HB ILE 91 6.514 -11.528 7.853 672 1HG1 ILE 91 HG1 ILE 91 6.890 -9.833 5.388 673 2HG1 ILE 91 HG1 ILE 91 8.013 -9.763 6.743 674 1HG2 ILE 91 HG2 ILE 91 5.311 -12.015 5.671 675 2HG2 ILE 91 HG2 ILE 91 4.447 -10.499 5.931 676 3HG2 ILE 91 HG2 ILE 91 4.303 -11.810 7.103 677 1HD1 ILE 91 HD1 ILE 91 8.953 -11.730 6.230 678 2HD1 ILE 91 HD1 ILE 91 8.288 -11.402 4.629 679 3HD1 ILE 91 HD1 ILE 91 7.423 -12.459 5.743 680 H ARG 92 HN ARG 92 6.962 -7.572 6.970 681 HA ARG 92 HA ARG 92 4.584 -6.642 5.509 682 1HB ARG 92 HB1 ARG 92 4.666 -4.992 7.101 683 2HB ARG 92 HB2 ARG 92 6.395 -5.171 7.356 684 1HG ARG 92 HG2 ARG 92 6.410 -4.182 4.862 685 2HG ARG 92 HG1 ARG 92 4.923 -3.451 5.470 686 1HD ARG 92 HD2 ARG 92 7.677 -3.245 6.678 687 2HD ARG 92 HD1 ARG 92 6.771 -1.961 5.879 688 HE ARG 92 HE ARG 92 5.105 -2.496 7.829 689 1HH1 ARG 92 HH2 ARG 92 8.583 -2.334 7.954 690 2HH1 ARG 92 HH2 ARG 92 8.628 -1.830 9.610 691 1HH2 ARG 92 HH1 ARG 92 5.155 -1.831 10.009 692 2HH2 ARG 92 HH1 ARG 92 6.680 -1.544 10.778 693 H TYR 93 HN TYR 93 4.901 -5.874 3.454 694 HA TYR 93 HA TYR 93 7.654 -5.960 2.412 695 1HB TYR 93 HB1 TYR 93 5.421 -6.530 0.542 696 2HB TYR 93 HB2 TYR 93 7.046 -7.200 0.590 697 HD1 TYR 93 HD1 TYR 93 3.686 -7.957 1.008 698 HD2 TYR 93 HD2 TYR 93 7.490 -8.752 2.736 699 HE1 TYR 93 HE1 TYR 93 2.798 -10.027 1.992 700 HE2 TYR 93 HE2 TYR 93 6.612 -10.825 3.725 701 HH TYR 93 HH TYR 93 4.841 -12.140 3.986 702 H LEU 94 HN LEU 94 8.075 -4.547 0.588 703 HA LEU 94 HA LEU 94 6.108 -2.524 -0.050 704 1HB LEU 94 HB2 LEU 94 7.897 -0.725 0.533 705 2HB LEU 94 HB1 LEU 94 6.838 -1.345 1.785 706 HG LEU 94 HG LEU 94 9.373 -2.812 1.485 707 1HD1 LEU 94 HD1 LEU 94 9.899 -0.328 1.077 708 2HD1 LEU 94 HD1 LEU 94 10.820 -1.189 2.311 709 3HD1 LEU 94 HD1 LEU 94 9.502 -0.115 2.783 710 1HD2 LEU 94 HD2 LEU 94 7.365 -2.578 3.360 711 2HD2 LEU 94 HD2 LEU 94 8.692 -1.654 4.062 712 3HD2 LEU 94 HD2 LEU 94 8.937 -3.339 3.607 713 H ILE 95 HN ILE 95 6.503 -1.476 -1.961 714 HA ILE 95 HA ILE 95 9.022 -2.106 -3.348 715 HB ILE 95 HB ILE 95 8.041 -2.933 -5.208 716 1HG1 ILE 95 HG1 ILE 95 5.423 -2.287 -5.552 717 2HG1 ILE 95 HG1 ILE 95 5.984 -0.860 -4.687 718 1HG2 ILE 95 HG2 ILE 95 5.731 -3.405 -3.332 719 2HG2 ILE 95 HG2 ILE 95 7.259 -4.284 -3.269 720 3HG2 ILE 95 HG2 ILE 95 6.230 -4.406 -4.696 721 1HD1 ILE 95 HD1 ILE 95 7.898 -0.906 -6.461 722 2HD1 ILE 95 HD1 ILE 95 6.317 -0.223 -6.852 723 3HD1 ILE 95 HD1 ILE 95 6.733 -1.857 -7.387 724 H GLN 96 HN GLN 96 9.494 -0.612 -5.160 725 HA GLN 96 HA GLN 96 8.076 1.907 -5.188 726 1HB GLN 96 HB1 GLN 96 9.882 3.298 -4.483 727 2HB GLN 96 HB2 GLN 96 9.671 2.064 -3.249 728 1HG GLN 96 HG2 GLN 96 11.518 0.879 -4.818 729 2HG GLN 96 HG1 GLN 96 11.933 2.577 -5.051 730 1HE2 GLN 96 HE2 GLN 96 13.605 3.028 -3.815 731 2HE2 GLN 96 HE2 GLN 96 13.792 2.588 -2.155 732 H LYS 97 HN LYS 97 8.938 3.399 -6.837 733 HA LYS 97 HA LYS 97 10.423 1.970 -8.946 734 1HB LYS 97 HB2 LYS 97 7.775 2.849 -9.051 735 2HB LYS 97 HB1 LYS 97 8.676 4.061 -9.950 736 1HG LYS 97 HG1 LYS 97 9.625 1.540 -10.784 737 2HG LYS 97 HG2 LYS 97 7.861 1.463 -10.764 738 1HD LYS 97 HD2 LYS 97 7.888 2.496 -12.735 739 2HD LYS 97 HD1 LYS 97 8.440 3.940 -11.884 740 1HE LYS 97 HE1 LYS 97 10.786 2.735 -12.134 741 2HE LYS 97 HE2 LYS 97 9.975 1.979 -13.505 742 1HZ LYS 97 HZ1 LYS 97 9.903 4.906 -13.156 743 2HZ LYS 97 HZ2 LYS 97 9.713 3.997 -14.570 744 3HZ LYS 97 HZ3 LYS 97 11.245 4.163 -13.870 Start of MODEL 6 1 1H MET 1 HT1 MET 1 -8.962 -20.880 -31.518 2 2H MET 1 HT2 MET 1 -8.432 -19.259 -31.691 3 3H MET 1 HT3 MET 1 -9.801 -19.615 -30.720 4 HA MET 1 HA MET 1 -8.593 -19.996 -28.980 5 1HB MET 1 HB1 MET 1 -8.080 -22.179 -30.420 6 2HB MET 1 HB2 MET 1 -6.461 -21.494 -30.432 7 1HG MET 1 HG1 MET 1 -6.440 -21.466 -27.999 8 2HG MET 1 HG2 MET 1 -8.077 -22.118 -27.971 9 1HE MET 1 HE1 MET 1 -8.435 -25.091 -28.902 10 2HE MET 1 HE2 MET 1 -8.554 -24.092 -27.453 11 3HE MET 1 HE3 MET 1 -7.572 -25.556 -27.436 12 H GLY 2 HN GLY 2 -6.709 -19.191 -31.856 13 1HA GLY 2 HA1 GLY 2 -4.617 -17.910 -30.330 14 2HA GLY 2 HA2 GLY 2 -4.769 -17.934 -32.080 15 H SER 3 HN SER 3 -6.220 -16.494 -29.175 16 HA SER 3 HA SER 3 -7.130 -14.217 -30.760 17 1HB SER 3 HB2 SER 3 -8.716 -13.883 -29.167 18 2HB SER 3 HB1 SER 3 -8.339 -15.546 -28.715 19 HG SER 3 HG SER 3 -8.260 -14.165 -26.911 20 H SER 4 HN SER 4 -6.439 -12.125 -30.442 21 HA SER 4 HA SER 4 -4.039 -11.815 -28.760 22 1HB SER 4 HB1 SER 4 -3.599 -9.872 -30.484 23 2HB SER 4 HB2 SER 4 -3.179 -11.535 -30.895 24 HG SER 4 HG SER 4 -5.389 -10.004 -31.751 25 H HIS 5 HN HIS 5 -6.915 -11.357 -28.134 26 HA HIS 5 HA HIS 5 -6.741 -8.488 -27.484 27 1HB HIS 5 HB2 HIS 5 -8.794 -9.918 -28.838 28 2HB HIS 5 HB1 HIS 5 -9.433 -9.423 -27.275 29 HD2 HIS 5 HD2 HIS 5 -9.354 -6.592 -26.820 30 HE1 HIS 5 HE1 HIS 5 -9.094 -5.746 -30.959 31 HE2 HIS 5 HE2 HIS 5 -9.539 -4.772 -28.660 32 H HIS 6 HN HIS 6 -5.570 -10.484 -25.882 33 HA HIS 6 HA HIS 6 -7.395 -10.664 -23.585 34 1HB HIS 6 HB2 HIS 6 -5.766 -12.355 -22.717 35 2HB HIS 6 HB1 HIS 6 -6.531 -12.816 -24.234 36 HD2 HIS 6 HD2 HIS 6 -3.104 -12.615 -22.726 37 HE1 HIS 6 HE1 HIS 6 -2.569 -12.597 -26.925 38 HE2 HIS 6 HE2 HIS 6 -1.415 -12.850 -24.681 39 H HIS 7 HN HIS 7 -4.316 -9.417 -24.662 40 HA HIS 7 HA HIS 7 -4.147 -7.833 -22.205 41 1HB HIS 7 HB1 HIS 7 -2.332 -9.952 -22.958 42 2HB HIS 7 HB2 HIS 7 -1.484 -8.410 -22.897 43 HD2 HIS 7 HD2 HIS 7 -0.425 -10.131 -20.628 44 HE1 HIS 7 HE1 HIS 7 -3.434 -8.503 -18.134 45 HE2 HIS 7 HE2 HIS 7 -1.233 -9.763 -18.190 46 H HIS 8 HN HIS 8 -4.499 -5.866 -23.050 47 HA HIS 8 HA HIS 8 -2.676 -4.972 -25.178 48 1HB HIS 8 HB1 HIS 8 -5.575 -5.092 -25.244 49 2HB HIS 8 HB2 HIS 8 -4.997 -3.445 -25.481 50 HD2 HIS 8 HD2 HIS 8 -3.970 -6.937 -27.046 51 HE1 HIS 8 HE1 HIS 8 -4.092 -3.942 -30.035 52 HE2 HIS 8 HE2 HIS 8 -3.660 -6.397 -29.565 53 H HIS 9 HN HIS 9 -2.675 -2.506 -25.322 54 HA HIS 9 HA HIS 9 -1.956 -1.480 -22.765 55 1HB HIS 9 HB1 HIS 9 -1.515 -0.777 -25.471 56 2HB HIS 9 HB2 HIS 9 -2.280 0.613 -24.708 57 HD2 HIS 9 HD2 HIS 9 1.078 -0.093 -25.525 58 HE1 HIS 9 HE1 HIS 9 1.389 1.105 -21.476 59 HE2 HIS 9 HE2 HIS 9 2.664 0.713 -23.634 60 H HIS 10 HN HIS 10 -3.046 -0.186 -21.391 61 HA HIS 10 HA HIS 10 -5.808 0.519 -22.131 62 1HB HIS 10 HB2 HIS 10 -4.561 -0.182 -19.477 63 2HB HIS 10 HB1 HIS 10 -6.123 0.623 -19.588 64 HD2 HIS 10 HD2 HIS 10 -8.223 -0.931 -20.573 65 HE1 HIS 10 HE1 HIS 10 -6.034 -4.552 -20.444 66 HE2 HIS 10 HE2 HIS 10 -8.332 -3.519 -20.735 67 H SER 11 HN SER 11 -3.690 2.179 -22.913 68 HA SER 11 HA SER 11 -3.603 4.382 -21.014 69 1HB SER 11 HB2 SER 11 -1.561 4.562 -21.937 70 2HB SER 11 HB1 SER 11 -1.998 3.495 -23.271 71 HG SER 11 HG SER 11 -1.574 5.466 -24.161 72 H SER 12 HN SER 12 -4.821 6.161 -21.128 73 HA SER 12 HA SER 12 -6.409 6.598 -23.571 74 1HB SER 12 HB2 SER 12 -7.329 6.069 -20.925 75 2HB SER 12 HB1 SER 12 -7.736 7.740 -21.315 76 HG SER 12 HG SER 12 -9.273 6.974 -22.503 77 H GLY 13 HN GLY 13 -4.387 7.926 -21.114 78 1HA GLY 13 HA1 GLY 13 -4.659 10.583 -22.380 79 2HA GLY 13 HA2 GLY 13 -4.460 10.393 -20.645 80 H LEU 14 HN LEU 14 -2.884 9.881 -23.764 81 HA LEU 14 HA LEU 14 -0.285 9.901 -22.380 82 1HB LEU 14 HB1 LEU 14 -1.313 8.149 -24.311 83 2HB LEU 14 HB2 LEU 14 -0.148 9.141 -25.166 84 HG LEU 14 HG LEU 14 0.841 7.055 -24.309 85 1HD1 LEU 14 HD2 LEU 14 1.788 9.745 -23.604 86 2HD1 LEU 14 HD2 LEU 14 2.589 8.452 -24.498 87 3HD1 LEU 14 HD2 LEU 14 2.564 8.422 -22.735 88 1HD2 LEU 14 HD1 LEU 14 -0.587 6.855 -22.302 89 2HD2 LEU 14 HD1 LEU 14 0.298 8.194 -21.571 90 3HD2 LEU 14 HD1 LEU 14 1.132 6.685 -21.946 91 H VAL 15 HN VAL 15 -2.022 12.199 -23.259 92 HA VAL 15 HA VAL 15 -0.032 13.537 -24.976 93 HB VAL 15 HB VAL 15 -2.259 15.089 -25.262 94 1HG1 VAL 15 HG1 VAL 15 -2.479 13.935 -27.496 95 2HG1 VAL 15 HG1 VAL 15 -1.231 12.819 -26.945 96 3HG1 VAL 15 HG1 VAL 15 -0.871 14.538 -27.096 97 1HG2 VAL 15 HG2 VAL 15 -3.384 12.369 -25.682 98 2HG2 VAL 15 HG2 VAL 15 -4.206 13.900 -25.375 99 3HG2 VAL 15 HG2 VAL 15 -3.409 13.047 -24.053 100 HA PRO 16 HA PRO 16 0.120 15.963 -21.139 101 1HB PRO 16 HB1 PRO 16 2.642 16.831 -21.409 102 2HB PRO 16 HB2 PRO 16 2.283 15.175 -20.904 103 1HG PRO 16 HG1 PRO 16 3.071 16.207 -23.602 104 2HG PRO 16 HG2 PRO 16 3.625 14.751 -22.756 105 1HD PRO 16 HD2 PRO 16 1.699 14.749 -24.711 106 2HD PRO 16 HD1 PRO 16 1.812 13.526 -23.431 107 H ARG 17 HN ARG 17 -0.907 16.877 -23.823 108 HA ARG 17 HA ARG 17 0.198 19.479 -24.271 109 1HB ARG 17 HB1 ARG 17 -1.299 17.791 -25.783 110 2HB ARG 17 HB2 ARG 17 -2.534 18.924 -25.247 111 1HG ARG 17 HG1 ARG 17 -0.183 20.331 -26.129 112 2HG ARG 17 HG2 ARG 17 -0.765 19.228 -27.379 113 1HD ARG 17 HD2 ARG 17 -2.785 20.877 -25.972 114 2HD ARG 17 HD1 ARG 17 -1.707 21.705 -27.094 115 HE ARG 17 HE ARG 17 -3.781 19.799 -27.752 116 1HH1 ARG 17 HH1 ARG 17 -0.930 21.493 -28.823 117 2HH1 ARG 17 HH1 ARG 17 -1.288 21.294 -30.506 118 1HH2 ARG 17 HH2 ARG 17 -4.259 19.533 -29.965 119 2HH2 ARG 17 HH2 ARG 17 -3.180 20.181 -31.156 120 H GLY 18 HN GLY 18 -2.149 18.172 -22.139 121 1HA GLY 18 HA1 GLY 18 -3.035 20.907 -21.451 122 2HA GLY 18 HA2 GLY 18 -4.076 19.498 -21.316 123 H SER 19 HN SER 19 -4.482 19.400 -19.181 124 HA SER 19 HA SER 19 -2.156 19.094 -17.402 125 1HB SER 19 HB2 SER 19 -4.676 20.689 -16.935 126 2HB SER 19 HB1 SER 19 -3.652 20.145 -15.606 127 HG SER 19 HG SER 19 -2.077 21.252 -17.414 128 H HIS 20 HN HIS 20 -2.116 17.160 -16.489 129 HA HIS 20 HA HIS 20 -4.668 15.748 -16.068 130 1HB HIS 20 HB2 HIS 20 -1.943 14.602 -16.714 131 2HB HIS 20 HB1 HIS 20 -3.362 13.641 -16.314 132 HD2 HIS 20 HD2 HIS 20 -2.173 13.064 -19.174 133 HE1 HIS 20 HE1 HIS 20 -5.205 15.633 -20.629 134 HE2 HIS 20 HE2 HIS 20 -3.537 13.826 -21.246 135 H MET 21 HN MET 21 -5.185 15.423 -14.014 136 HA MET 21 HA MET 21 -3.256 15.896 -11.919 137 1HB MET 21 HB2 MET 21 -5.927 16.324 -12.084 138 2HB MET 21 HB1 MET 21 -5.909 14.793 -11.220 139 1HG MET 21 HG1 MET 21 -3.984 16.352 -9.952 140 2HG MET 21 HG2 MET 21 -5.326 17.448 -10.274 141 1HE MET 21 HE1 MET 21 -4.517 16.227 -6.908 142 2HE MET 21 HE2 MET 21 -3.671 15.320 -8.162 143 3HE MET 21 HE3 MET 21 -4.787 14.492 -7.075 144 H LYS 22 HN LYS 22 -1.883 14.068 -12.636 145 HA LYS 22 HA LYS 22 -2.717 11.386 -12.417 146 1HB LYS 22 HB1 LYS 22 -0.236 10.920 -12.227 147 2HB LYS 22 HB2 LYS 22 -0.737 11.824 -13.651 148 1HG LYS 22 HG2 LYS 22 -0.188 13.857 -11.979 149 2HG LYS 22 HG1 LYS 22 0.945 12.644 -11.379 150 1HD LYS 22 HD2 LYS 22 2.029 12.472 -13.458 151 2HD LYS 22 HD1 LYS 22 0.714 13.291 -14.304 152 1HE LYS 22 HE2 LYS 22 1.378 15.373 -13.608 153 2HE LYS 22 HE1 LYS 22 2.156 14.755 -12.151 154 1HZ LYS 22 HZ1 LYS 22 3.245 15.151 -14.788 155 2HZ LYS 22 HZ2 LYS 22 3.630 13.648 -14.116 156 3HZ LYS 22 HZ3 LYS 22 4.032 15.069 -13.293 157 H ASN 23 HN ASN 23 -1.827 9.818 -10.814 158 HA ASN 23 HA ASN 23 -2.559 10.644 -8.177 159 1HB ASN 23 HB2 ASN 23 -1.629 8.071 -9.411 160 2HB ASN 23 HB1 ASN 23 -1.699 8.229 -7.658 161 1HD2 ASN 23 HD2 ASN 23 -3.686 8.859 -10.527 162 2HD2 ASN 23 HD2 ASN 23 -5.172 8.328 -9.824 163 H ILE 24 HN ILE 24 -0.866 9.285 -6.506 164 HA ILE 24 HA ILE 24 1.626 10.835 -6.771 165 HB ILE 24 HB ILE 24 1.433 9.922 -4.127 166 1HG1 ILE 24 HG1 ILE 24 -1.132 11.332 -4.840 167 2HG1 ILE 24 HG1 ILE 24 -1.035 9.574 -4.795 168 1HG2 ILE 24 HG2 ILE 24 2.022 12.230 -5.465 169 2HG2 ILE 24 HG2 ILE 24 1.959 12.054 -3.712 170 3HG2 ILE 24 HG2 ILE 24 0.558 12.669 -4.587 171 1HD1 ILE 24 HD1 ILE 24 -1.571 11.292 -2.677 172 2HD1 ILE 24 HD1 ILE 24 0.071 10.713 -2.400 173 3HD1 ILE 24 HD1 ILE 24 -1.249 9.560 -2.595 174 H VAL 25 HN VAL 25 3.212 9.627 -4.933 175 HA VAL 25 HA VAL 25 4.162 7.358 -6.330 176 HB VAL 25 HB VAL 25 5.018 7.688 -3.513 177 1HG1 VAL 25 HG2 VAL 25 6.117 6.851 -6.104 178 2HG1 VAL 25 HG2 VAL 25 6.482 6.279 -4.476 179 3HG1 VAL 25 HG2 VAL 25 7.231 7.758 -5.081 180 1HG2 VAL 25 HG1 VAL 25 5.172 9.863 -5.540 181 2HG2 VAL 25 HG1 VAL 25 6.550 9.602 -4.471 182 3HG2 VAL 25 HG1 VAL 25 4.963 9.960 -3.791 183 HA PRO 26 HA PRO 26 2.469 4.867 -2.415 184 1HB PRO 26 HB2 PRO 26 0.097 6.027 -1.530 185 2HB PRO 26 HB1 PRO 26 1.650 6.097 -0.693 186 1HG PRO 26 HG1 PRO 26 0.356 8.118 -2.465 187 2HG PRO 26 HG2 PRO 26 1.319 8.363 -0.996 188 1HD PRO 26 HD1 PRO 26 2.354 8.797 -3.425 189 2HD PRO 26 HD2 PRO 26 3.331 8.089 -2.121 190 H ASP 27 HN ASP 27 1.968 3.434 -4.036 191 HA ASP 27 HA ASP 27 -0.291 3.823 -5.755 192 1HB ASP 27 HB2 ASP 27 1.765 2.634 -6.485 193 2HB ASP 27 HB1 ASP 27 1.378 1.332 -5.363 194 H TYR 28 HN TYR 28 0.354 0.845 -3.897 195 HA TYR 28 HA TYR 28 -2.393 1.032 -2.848 196 1HB TYR 28 HB1 TYR 28 -1.605 -0.686 -4.928 197 2HB TYR 28 HB2 TYR 28 -1.770 -1.703 -3.500 198 HD1 TYR 28 HD1 TYR 28 -3.910 -2.185 -2.567 199 HD2 TYR 28 HD2 TYR 28 -3.551 0.627 -5.739 200 HE1 TYR 28 HE1 TYR 28 -6.351 -2.213 -2.859 201 HE2 TYR 28 HE2 TYR 28 -5.991 0.609 -6.040 202 HH TYR 28 HH TYR 28 -8.103 -0.388 -3.882 203 H ARG 29 HN ARG 29 -2.865 -0.652 -1.182 204 HA ARG 29 HA ARG 29 -0.494 -1.447 0.348 205 1HB ARG 29 HB2 ARG 29 -1.956 -0.806 2.425 206 2HB ARG 29 HB1 ARG 29 -1.018 0.428 1.595 207 1HG ARG 29 HG2 ARG 29 -3.130 0.919 0.266 208 2HG ARG 29 HG1 ARG 29 -3.973 -0.070 1.460 209 1HD ARG 29 HD2 ARG 29 -3.995 1.605 2.919 210 2HD ARG 29 HD1 ARG 29 -2.249 1.811 2.775 211 HE ARG 29 HE ARG 29 -2.616 3.604 1.407 212 1HH1 ARG 29 HH1 ARG 29 -5.542 1.720 1.600 213 2HH1 ARG 29 HH1 ARG 29 -6.496 2.877 0.733 214 1HH2 ARG 29 HH2 ARG 29 -3.864 5.131 0.266 215 2HH2 ARG 29 HH2 ARG 29 -5.542 4.816 -0.026 216 H LEU 30 HN LEU 30 -0.694 -3.349 1.487 217 HA LEU 30 HA LEU 30 -3.286 -4.722 1.433 218 1HB LEU 30 HB1 LEU 30 -1.601 -5.401 -0.431 219 2HB LEU 30 HB2 LEU 30 -0.733 -6.201 0.863 220 HG LEU 30 HG LEU 30 -2.356 -7.594 -0.575 221 1HD1 LEU 30 HD2 LEU 30 -2.603 -9.106 1.145 222 2HD1 LEU 30 HD2 LEU 30 -2.931 -7.856 2.345 223 3HD1 LEU 30 HD2 LEU 30 -1.290 -8.093 1.747 224 1HD2 LEU 30 HD1 LEU 30 -4.446 -6.636 1.338 225 2HD2 LEU 30 HD1 LEU 30 -4.630 -7.486 -0.197 226 3HD2 LEU 30 HD1 LEU 30 -4.183 -5.781 -0.182 227 H ASP 31 HN ASP 31 -3.415 -4.172 3.675 228 HA ASP 31 HA ASP 31 -1.438 -5.471 5.412 229 1HB ASP 31 HB2 ASP 31 -2.610 -4.069 7.212 230 2HB ASP 31 HB1 ASP 31 -1.646 -3.204 6.017 231 H MET 32 HN MET 32 -2.552 -7.539 4.743 232 HA MET 32 HA MET 32 -4.644 -8.127 6.702 233 1HB MET 32 HB1 MET 32 -4.920 -8.262 3.787 234 2HB MET 32 HB2 MET 32 -5.387 -9.744 4.610 235 1HG MET 32 HG2 MET 32 -6.421 -7.127 5.592 236 2HG MET 32 HG1 MET 32 -7.138 -7.873 4.164 237 1HE MET 32 HE1 MET 32 -9.666 -7.962 6.200 238 2HE MET 32 HE2 MET 32 -9.859 -9.606 5.591 239 3HE MET 32 HE3 MET 32 -9.187 -8.352 4.548 240 H VAL 33 HN VAL 33 -4.112 -10.559 4.391 241 HA VAL 33 HA VAL 33 -2.043 -11.852 6.022 242 HB VAL 33 HB VAL 33 -4.570 -13.214 5.067 243 1HG1 VAL 33 HG1 VAL 33 -3.282 -15.042 5.114 244 2HG1 VAL 33 HG1 VAL 33 -3.358 -14.883 6.869 245 3HG1 VAL 33 HG1 VAL 33 -1.986 -14.219 5.981 246 1HG2 VAL 33 HG2 VAL 33 -5.356 -12.144 6.913 247 2HG2 VAL 33 HG2 VAL 33 -3.764 -12.027 7.663 248 3HG2 VAL 33 HG2 VAL 33 -4.648 -13.553 7.702 249 H GLY 34 HN GLY 34 -0.610 -13.137 4.873 250 1HA GLY 34 HA2 GLY 34 -0.193 -12.568 2.163 251 2HA GLY 34 HA1 GLY 34 0.545 -13.902 3.036 252 H GLU 35 HN GLU 35 -2.467 -14.631 3.566 253 HA GLU 35 HA GLU 35 -2.635 -16.705 1.679 254 1HB GLU 35 HB1 GLU 35 -4.353 -17.397 2.964 255 2HB GLU 35 HB2 GLU 35 -3.903 -16.072 4.027 256 1HG GLU 35 HG2 GLU 35 -5.537 -14.629 2.894 257 2HG GLU 35 HG1 GLU 35 -6.021 -15.997 1.892 258 HA PRO 36 HA PRO 36 -4.449 -14.950 -1.941 259 1HB PRO 36 HB1 PRO 36 -6.523 -16.676 -2.478 260 2HB PRO 36 HB2 PRO 36 -4.832 -16.999 -2.870 261 1HG PRO 36 HG2 PRO 36 -6.452 -17.936 -0.538 262 2HG PRO 36 HG1 PRO 36 -5.274 -18.831 -1.516 263 1HD PRO 36 HD2 PRO 36 -4.646 -17.868 0.910 264 2HD PRO 36 HD1 PRO 36 -3.461 -17.894 -0.414 265 H CYS 37 HN CYS 37 -5.202 -13.061 -0.790 266 HA CYS 37 HA CYS 37 -7.824 -12.976 0.347 267 1HB CYS 37 HB1 CYS 37 -5.601 -11.083 -0.116 268 2HB CYS 37 HB2 CYS 37 -7.208 -10.363 -0.099 269 HG CYS 37 HG CYS 37 -6.147 -10.398 2.320 270 HA PRO 38 HA PRO 38 -10.362 -12.105 -3.157 271 1HB PRO 38 HB1 PRO 38 -11.907 -10.013 -2.330 272 2HB PRO 38 HB2 PRO 38 -12.149 -11.677 -1.790 273 1HG PRO 38 HG1 PRO 38 -10.729 -9.426 -0.417 274 2HG PRO 38 HG2 PRO 38 -11.854 -10.618 0.261 275 1HD PRO 38 HD1 PRO 38 -9.188 -10.849 0.561 276 2HD PRO 38 HD2 PRO 38 -10.235 -12.271 0.366 277 H TYR 39 HN TYR 39 -8.847 -9.256 -1.700 278 HA TYR 39 HA TYR 39 -8.296 -8.242 -4.399 279 1HB TYR 39 HB2 TYR 39 -10.103 -7.052 -2.545 280 2HB TYR 39 HB1 TYR 39 -8.688 -6.010 -2.658 281 HD1 TYR 39 HD1 TYR 39 -8.477 -4.519 -4.434 282 HD2 TYR 39 HD2 TYR 39 -11.205 -7.766 -4.769 283 HE1 TYR 39 HE1 TYR 39 -9.327 -3.579 -6.542 284 HE2 TYR 39 HE2 TYR 39 -12.064 -6.835 -6.877 285 HH TYR 39 HH TYR 39 -11.426 -3.696 -7.898 286 HA PRO 40 HA PRO 40 -4.586 -7.951 -1.649 287 1HB PRO 40 HB2 PRO 40 -3.191 -10.091 -2.385 288 2HB PRO 40 HB1 PRO 40 -4.582 -10.252 -1.307 289 1HG PRO 40 HG2 PRO 40 -4.342 -10.886 -4.208 290 2HG PRO 40 HG1 PRO 40 -5.290 -11.704 -2.955 291 1HD PRO 40 HD2 PRO 40 -6.230 -9.789 -4.811 292 2HD PRO 40 HD1 PRO 40 -7.103 -10.423 -3.402 293 H ALA 41 HN ALA 41 -2.468 -9.459 -3.496 294 HA ALA 41 HA ALA 41 -1.217 -7.212 -4.531 295 1HB ALA 41 HB1 ALA 41 -0.224 -9.496 -4.108 296 2HB ALA 41 HB2 ALA 41 0.309 -8.672 -5.573 297 3HB ALA 41 HB3 ALA 41 -0.881 -9.969 -5.675 298 H VAL 42 HN VAL 42 -4.059 -8.504 -5.664 299 HA VAL 42 HA VAL 42 -3.914 -8.602 -8.403 300 HB VAL 42 HB VAL 42 -5.959 -8.990 -6.979 301 1HG1 VAL 42 HG2 VAL 42 -6.212 -7.099 -5.658 302 2HG1 VAL 42 HG2 VAL 42 -7.465 -6.900 -6.883 303 3HG1 VAL 42 HG2 VAL 42 -5.955 -5.998 -7.011 304 1HG2 VAL 42 HG1 VAL 42 -5.772 -7.871 -9.646 305 2HG2 VAL 42 HG1 VAL 42 -7.339 -7.561 -8.900 306 3HG2 VAL 42 HG1 VAL 42 -6.746 -9.215 -9.050 307 H ALA 43 HN ALA 43 -3.885 -5.804 -6.314 308 HA ALA 43 HA ALA 43 -4.183 -3.857 -8.388 309 1HB ALA 43 HB1 ALA 43 -3.926 -2.247 -6.735 310 2HB ALA 43 HB2 ALA 43 -2.913 -3.292 -5.738 311 3HB ALA 43 HB3 ALA 43 -4.644 -3.605 -5.868 312 H THR 44 HN THR 44 -1.446 -5.316 -6.703 313 HA THR 44 HA THR 44 0.618 -3.689 -7.581 314 HB THR 44 HB THR 44 1.168 -6.598 -7.547 315 HG1 THR 44 HG1 THR 44 0.779 -5.581 -5.033 316 1HG2 THR 44 HG2 THR 44 2.338 -4.249 -6.085 317 2HG2 THR 44 HG2 THR 44 3.025 -5.090 -7.476 318 3HG2 THR 44 HG2 THR 44 2.888 -5.918 -5.925 319 H LEU 45 HN LEU 45 -0.574 -6.681 -9.112 320 HA LEU 45 HA LEU 45 1.059 -6.523 -11.388 321 1HB LEU 45 HB1 LEU 45 -0.730 -8.337 -10.389 322 2HB LEU 45 HB2 LEU 45 -1.588 -7.733 -11.793 323 HG LEU 45 HG LEU 45 0.436 -8.291 -13.173 324 1HD1 LEU 45 HD2 LEU 45 2.327 -9.008 -12.257 325 2HD1 LEU 45 HD2 LEU 45 1.480 -10.239 -11.320 326 3HD1 LEU 45 HD2 LEU 45 1.640 -8.602 -10.684 327 1HD2 LEU 45 HD1 LEU 45 -0.244 -10.470 -13.518 328 2HD2 LEU 45 HD1 LEU 45 -1.652 -9.768 -12.721 329 3HD2 LEU 45 HD1 LEU 45 -0.524 -10.764 -11.802 330 H GLU 46 HN GLU 46 -2.182 -5.261 -10.737 331 HA GLU 46 HA GLU 46 -2.687 -4.353 -13.373 332 1HB GLU 46 HB2 GLU 46 -4.673 -3.590 -12.563 333 2HB GLU 46 HB1 GLU 46 -4.251 -4.648 -11.225 334 1HG GLU 46 HG2 GLU 46 -4.585 -2.889 -9.915 335 2HG GLU 46 HG1 GLU 46 -3.054 -2.270 -10.535 336 H ALA 47 HN ALA 47 -0.730 -3.174 -10.834 337 HA ALA 47 HA ALA 47 -0.714 -0.415 -11.592 338 1HB ALA 47 HB1 ALA 47 1.386 -1.889 -10.015 339 2HB ALA 47 HB2 ALA 47 -0.108 -1.256 -9.322 340 3HB ALA 47 HB3 ALA 47 1.073 -0.154 -10.030 341 H MET 48 HN MET 48 1.055 -3.286 -12.507 342 HA MET 48 HA MET 48 3.328 -2.279 -13.663 343 1HB MET 48 HB2 MET 48 1.573 -4.541 -14.620 344 2HB MET 48 HB1 MET 48 3.159 -4.194 -15.296 345 1HG MET 48 HG2 MET 48 2.697 -4.752 -12.382 346 2HG MET 48 HG1 MET 48 3.075 -6.004 -13.565 347 1HE MET 48 HE1 MET 48 5.512 -5.592 -11.038 348 2HE MET 48 HE2 MET 48 6.407 -6.327 -12.368 349 3HE MET 48 HE3 MET 48 4.714 -6.743 -12.110 350 HA PRO 49 HA PRO 49 0.985 -1.390 -17.836 351 1HB PRO 49 HB1 PRO 49 -1.823 -1.186 -16.956 352 2HB PRO 49 HB2 PRO 49 -1.149 -1.982 -18.380 353 1HG PRO 49 HG2 PRO 49 -2.112 -3.390 -16.312 354 2HG PRO 49 HG1 PRO 49 -0.703 -3.940 -17.238 355 1HD PRO 49 HD2 PRO 49 -0.808 -2.603 -14.562 356 2HD PRO 49 HD1 PRO 49 0.218 -3.942 -15.112 357 H GLN 50 HN GLN 50 -0.678 -0.228 -14.915 358 HA GLN 50 HA GLN 50 -0.927 2.457 -15.859 359 1HB GLN 50 HB1 GLN 50 -1.655 0.938 -13.472 360 2HB GLN 50 HB2 GLN 50 -1.158 2.585 -13.109 361 1HG GLN 50 HG2 GLN 50 -2.979 3.493 -14.068 362 2HG GLN 50 HG1 GLN 50 -3.037 2.287 -15.353 363 1HE2 GLN 50 HE2 GLN 50 -3.075 1.889 -11.841 364 2HE2 GLN 50 HE2 GLN 50 -4.605 1.091 -11.770 365 H LEU 51 HN LEU 51 1.820 0.974 -15.377 366 HA LEU 51 HA LEU 51 3.377 2.039 -13.500 367 1HB LEU 51 HB1 LEU 51 3.787 0.874 -16.026 368 2HB LEU 51 HB2 LEU 51 4.787 2.315 -15.989 369 HG LEU 51 HG LEU 51 4.902 0.651 -13.584 370 1HD1 LEU 51 HD2 LEU 51 5.057 -1.273 -14.759 371 2HD1 LEU 51 HD2 LEU 51 6.710 -0.718 -15.027 372 3HD1 LEU 51 HD2 LEU 51 5.477 -0.446 -16.260 373 1HD2 LEU 51 HD1 LEU 51 6.764 1.826 -13.324 374 2HD2 LEU 51 HD1 LEU 51 6.419 2.655 -14.842 375 3HD2 LEU 51 HD1 LEU 51 7.413 1.198 -14.840 376 H LYS 52 HN LYS 52 4.663 3.820 -13.152 377 HA LYS 52 HA LYS 52 4.442 6.100 -14.908 378 1HB LYS 52 HB1 LYS 52 2.681 5.868 -12.767 379 2HB LYS 52 HB2 LYS 52 3.941 6.938 -12.168 380 1HG LYS 52 HG2 LYS 52 3.604 8.415 -14.082 381 2HG LYS 52 HG1 LYS 52 2.351 7.332 -14.696 382 1HD LYS 52 HD2 LYS 52 1.536 7.802 -12.115 383 2HD LYS 52 HD1 LYS 52 2.214 9.357 -12.600 384 1HE LYS 52 HE1 LYS 52 0.570 9.757 -14.081 385 2HE LYS 52 HE2 LYS 52 0.503 8.078 -14.612 386 1HZ LYS 52 HZ1 LYS 52 -0.718 7.554 -12.563 387 2HZ LYS 52 HZ2 LYS 52 -1.543 8.667 -13.533 388 3HZ LYS 52 HZ3 LYS 52 -0.723 9.194 -12.150 389 H LYS 53 HN LYS 53 5.577 8.057 -13.507 390 HA LYS 53 HA LYS 53 8.246 7.009 -12.997 391 1HB LYS 53 HB2 LYS 53 7.352 9.243 -14.324 392 2HB LYS 53 HB1 LYS 53 7.850 9.910 -12.775 393 1HG LYS 53 HG1 LYS 53 9.722 10.074 -14.183 394 2HG LYS 53 HG2 LYS 53 10.049 8.711 -13.110 395 1HD LYS 53 HD1 LYS 53 8.778 7.498 -15.205 396 2HD LYS 53 HD2 LYS 53 9.687 8.776 -16.014 397 1HE LYS 53 HE1 LYS 53 11.685 7.973 -14.630 398 2HE LYS 53 HE2 LYS 53 10.719 6.534 -14.307 399 1HZ LYS 53 HZ1 LYS 53 11.806 7.486 -16.878 400 2HZ LYS 53 HZ2 LYS 53 10.478 6.438 -16.842 401 3HZ LYS 53 HZ3 LYS 53 11.952 5.960 -16.162 402 H GLY 54 HN GLY 54 6.173 6.532 -11.042 403 1HA GLY 54 HA2 GLY 54 7.569 7.062 -8.684 404 2HA GLY 54 HA1 GLY 54 6.353 8.319 -8.861 405 H GLU 55 HN GLU 55 6.977 5.081 -7.963 406 HA GLU 55 HA GLU 55 4.153 4.755 -7.234 407 1HB GLU 55 HB1 GLU 55 5.158 3.398 -9.340 408 2HB GLU 55 HB2 GLU 55 5.588 2.297 -8.039 409 1HG GLU 55 HG2 GLU 55 3.553 1.452 -8.367 410 2HG GLU 55 HG1 GLU 55 3.008 2.840 -7.425 411 H ILE 56 HN ILE 56 3.795 3.191 -5.520 412 HA ILE 56 HA ILE 56 6.018 2.222 -3.981 413 HB ILE 56 HB ILE 56 4.668 4.748 -3.230 414 1HG1 ILE 56 HG1 ILE 56 7.312 3.545 -2.385 415 2HG1 ILE 56 HG1 ILE 56 7.088 4.510 -3.840 416 1HG2 ILE 56 HG2 ILE 56 5.326 2.667 -1.151 417 2HG2 ILE 56 HG2 ILE 56 3.725 3.302 -1.531 418 3HG2 ILE 56 HG2 ILE 56 4.946 4.357 -0.820 419 1HD1 ILE 56 HD1 ILE 56 6.042 6.137 -1.922 420 2HD1 ILE 56 HD1 ILE 56 7.688 6.223 -2.553 421 3HD1 ILE 56 HD1 ILE 56 7.360 5.340 -1.061 422 H LEU 57 HN LEU 57 5.307 0.919 -2.141 423 HA LEU 57 HA LEU 57 2.458 0.362 -1.967 424 1HB LEU 57 HB2 LEU 57 3.911 -1.163 -3.654 425 2HB LEU 57 HB1 LEU 57 4.116 -2.062 -2.180 426 HG LEU 57 HG LEU 57 1.512 -1.890 -2.036 427 1HD1 LEU 57 HD2 LEU 57 2.051 -0.687 -4.576 428 2HD1 LEU 57 HD2 LEU 57 0.512 -0.887 -3.739 429 3HD1 LEU 57 HD2 LEU 57 1.112 -2.163 -4.798 430 1HD2 LEU 57 HD1 LEU 57 3.256 -3.720 -3.575 431 2HD2 LEU 57 HD1 LEU 57 1.515 -3.883 -3.803 432 3HD2 LEU 57 HD1 LEU 57 2.212 -4.041 -2.191 433 H GLU 58 HN GLU 58 1.908 -1.013 -0.201 434 HA GLU 58 HA GLU 58 4.025 -1.569 1.668 435 1HB GLU 58 HB1 GLU 58 1.693 -0.434 3.048 436 2HB GLU 58 HB2 GLU 58 3.404 -0.156 3.333 437 1HG GLU 58 HG1 GLU 58 3.501 1.619 1.875 438 2HG GLU 58 HG2 GLU 58 2.097 1.078 0.955 439 H VAL 59 HN VAL 59 3.676 -3.430 2.788 440 HA VAL 59 HA VAL 59 0.996 -4.632 2.648 441 HB VAL 59 HB VAL 59 3.543 -6.152 2.084 442 1HG1 VAL 59 HG1 VAL 59 1.864 -7.542 3.104 443 2HG1 VAL 59 HG1 VAL 59 1.973 -7.939 1.389 444 3HG1 VAL 59 HG1 VAL 59 0.638 -6.951 1.984 445 1HG2 VAL 59 HG2 VAL 59 1.443 -5.077 0.214 446 2HG2 VAL 59 HG2 VAL 59 2.589 -6.341 -0.234 447 3HG2 VAL 59 HG2 VAL 59 3.174 -4.738 0.211 448 H VAL 60 HN VAL 60 0.320 -5.283 4.565 449 HA VAL 60 HA VAL 60 2.296 -6.166 6.552 450 HB VAL 60 HB VAL 60 -0.119 -4.434 7.088 451 1HG1 VAL 60 HG1 VAL 60 1.535 -6.138 8.867 452 2HG1 VAL 60 HG1 VAL 60 -0.172 -5.709 8.974 453 3HG1 VAL 60 HG1 VAL 60 1.060 -4.548 9.467 454 1HG2 VAL 60 HG2 VAL 60 1.917 -3.142 8.228 455 2HG2 VAL 60 HG2 VAL 60 1.460 -2.895 6.542 456 3HG2 VAL 60 HG2 VAL 60 2.803 -3.967 6.945 457 H SER 61 HN SER 61 1.930 -8.324 6.210 458 HA SER 61 HA SER 61 -0.741 -9.279 6.953 459 1HB SER 61 HB1 SER 61 -0.473 -11.070 5.182 460 2HB SER 61 HB2 SER 61 -0.727 -9.436 4.566 461 HG SER 61 HG SER 61 1.402 -11.097 4.249 462 H ASP 62 HN ASP 62 -0.728 -11.681 7.345 463 HA ASP 62 HA ASP 62 1.754 -12.451 8.743 464 1HB ASP 62 HB2 ASP 62 -0.856 -12.151 9.761 465 2HB ASP 62 HB1 ASP 62 -0.547 -13.882 9.692 466 H CYS 63 HN CYS 63 2.734 -14.221 7.997 467 HA CYS 63 HA CYS 63 1.155 -16.346 6.770 468 1HB CYS 63 HB2 CYS 63 1.855 -14.825 4.931 469 2HB CYS 63 HB1 CYS 63 3.534 -15.098 5.380 470 HG CYS 63 HG CYS 63 2.323 -16.699 3.399 471 HA PRO 64 HA PRO 64 3.977 -18.550 9.488 472 1HB PRO 64 HB1 PRO 64 2.777 -20.876 8.090 473 2HB PRO 64 HB2 PRO 64 2.905 -20.545 9.820 474 1HG PRO 64 HG2 PRO 64 0.570 -20.318 8.553 475 2HG PRO 64 HG1 PRO 64 1.032 -19.176 9.830 476 1HD PRO 64 HD2 PRO 64 1.067 -18.818 6.859 477 2HD PRO 64 HD1 PRO 64 0.607 -17.665 8.128 478 H GLN 65 HN GLN 65 3.584 -19.090 6.034 479 HA GLN 65 HA GLN 65 6.006 -20.610 5.766 480 1HB GLN 65 HB1 GLN 65 3.762 -19.928 4.115 481 2HB GLN 65 HB2 GLN 65 5.247 -19.535 3.259 482 1HG GLN 65 HG2 GLN 65 5.884 -21.702 3.077 483 2HG GLN 65 HG1 GLN 65 5.115 -22.173 4.591 484 1HE2 GLN 65 HE2 GLN 65 4.882 -23.750 2.382 485 2HE2 GLN 65 HE2 GLN 65 3.258 -23.705 1.795 486 H SER 66 HN SER 66 7.118 -19.482 3.455 487 HA SER 66 HA SER 66 8.232 -16.966 4.513 488 1HB SER 66 HB2 SER 66 9.678 -19.026 2.830 489 2HB SER 66 HB1 SER 66 10.379 -17.584 3.566 490 HG SER 66 HG SER 66 9.186 -19.707 5.021 491 H ILE 67 HN ILE 67 6.879 -18.622 1.802 492 HA ILE 67 HA ILE 67 7.751 -17.066 -0.327 493 HB ILE 67 HB ILE 67 5.001 -18.265 -0.016 494 1HG1 ILE 67 HG1 ILE 67 6.591 -19.908 -1.633 495 2HG1 ILE 67 HG1 ILE 67 7.619 -19.486 -0.266 496 1HG2 ILE 67 HG2 ILE 67 5.821 -18.444 -2.663 497 2HG2 ILE 67 HG2 ILE 67 6.313 -16.828 -2.156 498 3HG2 ILE 67 HG2 ILE 67 4.629 -17.327 -2.000 499 1HD1 ILE 67 HD1 ILE 67 5.408 -21.320 -0.405 500 2HD1 ILE 67 HD1 ILE 67 5.170 -20.126 0.871 501 3HD1 ILE 67 HD1 ILE 67 6.629 -21.116 0.850 502 H ASN 68 HN ASN 68 7.502 -15.001 -0.815 503 HA ASN 68 HA ASN 68 5.728 -13.318 0.718 504 1HB ASN 68 HB1 ASN 68 6.922 -11.981 -1.544 505 2HB ASN 68 HB2 ASN 68 7.198 -11.717 0.176 506 1HD2 ASN 68 HD2 ASN 68 8.610 -13.432 1.214 507 2HD2 ASN 68 HD2 ASN 68 10.015 -13.904 0.324 508 H ASN 69 HN ASN 69 3.713 -12.780 0.168 509 HA ASN 69 HA ASN 69 2.551 -13.815 -2.220 510 1HB ASN 69 HB2 ASN 69 1.464 -13.484 0.107 511 2HB ASN 69 HB1 ASN 69 1.184 -11.830 -0.429 512 1HD2 ASN 69 HD2 ASN 69 0.957 -15.039 -1.933 513 2HD2 ASN 69 HD2 ASN 69 -0.649 -14.829 -2.534 514 H ILE 70 HN ILE 70 1.818 -10.549 -1.169 515 HA ILE 70 HA ILE 70 1.222 -9.520 -3.597 516 HB ILE 70 HB ILE 70 2.600 -7.759 -1.601 517 1HG1 ILE 70 HG1 ILE 70 1.153 -9.130 -0.247 518 2HG1 ILE 70 HG1 ILE 70 0.372 -7.565 -0.457 519 1HG2 ILE 70 HG2 ILE 70 1.138 -6.076 -2.395 520 2HG2 ILE 70 HG2 ILE 70 0.135 -7.250 -3.248 521 3HG2 ILE 70 HG2 ILE 70 1.767 -6.902 -3.821 522 1HD1 ILE 70 HD1 ILE 70 -0.359 -10.210 -1.634 523 2HD1 ILE 70 HD1 ILE 70 -0.874 -8.709 -2.403 524 3HD1 ILE 70 HD1 ILE 70 -1.359 -9.062 -0.745 525 HA PRO 71 HA PRO 71 5.700 -7.702 -4.243 526 1HB PRO 71 HB2 PRO 71 7.682 -9.235 -3.079 527 2HB PRO 71 HB1 PRO 71 7.067 -7.711 -2.434 528 1HG PRO 71 HG2 PRO 71 6.366 -10.511 -1.679 529 2HG PRO 71 HG1 PRO 71 6.585 -9.090 -0.642 530 1HD PRO 71 HD2 PRO 71 4.145 -10.007 -1.272 531 2HD PRO 71 HD1 PRO 71 4.471 -8.267 -1.112 532 H LEU 72 HN LEU 72 5.030 -11.144 -3.964 533 HA LEU 72 HA LEU 72 6.891 -12.029 -5.904 534 1HB LEU 72 HB1 LEU 72 5.765 -13.527 -4.297 535 2HB LEU 72 HB2 LEU 72 4.245 -13.260 -5.129 536 HG LEU 72 HG LEU 72 5.553 -14.178 -7.210 537 1HD1 LEU 72 HD1 LEU 72 7.251 -14.983 -4.889 538 2HD1 LEU 72 HD1 LEU 72 7.731 -14.421 -6.490 539 3HD1 LEU 72 HD1 LEU 72 7.093 -16.052 -6.283 540 1HD2 LEU 72 HD2 LEU 72 3.599 -15.212 -6.100 541 2HD2 LEU 72 HD2 LEU 72 4.701 -16.027 -4.989 542 3HD2 LEU 72 HD2 LEU 72 4.757 -16.393 -6.714 543 H ASP 73 HN ASP 73 3.565 -10.892 -6.113 544 HA ASP 73 HA ASP 73 3.077 -11.556 -8.797 545 1HB ASP 73 HB2 ASP 73 1.849 -9.853 -6.757 546 2HB ASP 73 HB1 ASP 73 1.650 -9.224 -8.390 547 H ALA 74 HN ALA 74 4.285 -8.539 -7.349 548 HA ALA 74 HA ALA 74 4.707 -7.258 -9.862 549 1HB ALA 74 HB1 ALA 74 5.670 -6.640 -7.081 550 2HB ALA 74 HB2 ALA 74 4.374 -5.857 -7.986 551 3HB ALA 74 HB3 ALA 74 6.053 -5.636 -8.479 552 H ARG 75 HN ARG 75 6.583 -9.385 -7.862 553 HA ARG 75 HA ARG 75 9.130 -8.804 -8.998 554 1HB ARG 75 HB1 ARG 75 9.037 -9.822 -6.826 555 2HB ARG 75 HB2 ARG 75 8.084 -11.169 -7.435 556 1HG ARG 75 HG1 ARG 75 9.887 -12.263 -8.225 557 2HG ARG 75 HG2 ARG 75 10.710 -10.779 -8.712 558 1HD ARG 75 HD2 ARG 75 10.370 -11.435 -5.814 559 2HD ARG 75 HD1 ARG 75 11.662 -12.189 -6.748 560 HE ARG 75 HE ARG 75 11.787 -9.451 -7.215 561 1HH1 ARG 75 HH1 ARG 75 12.172 -11.656 -4.545 562 2HH1 ARG 75 HH1 ARG 75 13.304 -10.647 -3.708 563 1HH2 ARG 75 HH2 ARG 75 13.274 -8.117 -6.122 564 2HH2 ARG 75 HH2 ARG 75 13.931 -8.634 -4.605 565 H ASN 76 HN ASN 76 6.543 -11.051 -9.752 566 HA ASN 76 HA ASN 76 7.948 -12.705 -11.541 567 1HB ASN 76 HB2 ASN 76 5.518 -12.864 -10.471 568 2HB ASN 76 HB1 ASN 76 5.055 -12.136 -12.007 569 1HD2 ASN 76 HD2 ASN 76 7.482 -14.556 -11.091 570 2HD2 ASN 76 HD2 ASN 76 6.932 -15.771 -12.189 571 H HIS 77 HN HIS 77 5.571 -10.171 -12.359 572 HA HIS 77 HA HIS 77 6.292 -10.058 -15.082 573 1HB HIS 77 HB2 HIS 77 4.191 -9.139 -13.719 574 2HB HIS 77 HB1 HIS 77 5.130 -7.651 -13.769 575 HD2 HIS 77 HD2 HIS 77 3.393 -10.131 -16.257 576 HE1 HIS 77 HE1 HIS 77 4.145 -6.444 -18.196 577 HE2 HIS 77 HE2 HIS 77 3.050 -8.722 -18.409 578 H GLY 78 HN GLY 78 7.510 -8.443 -12.239 579 1HA GLY 78 HA1 GLY 78 9.609 -7.433 -12.041 580 2HA GLY 78 HA2 GLY 78 9.743 -7.420 -13.793 581 H TYR 79 HN TYR 79 8.759 -5.676 -10.983 582 HA TYR 79 HA TYR 79 7.666 -3.482 -12.565 583 1HB TYR 79 HB2 TYR 79 6.797 -4.430 -10.236 584 2HB TYR 79 HB1 TYR 79 7.975 -3.284 -9.603 585 HD1 TYR 79 HD1 TYR 79 7.774 -0.980 -11.304 586 HD2 TYR 79 HD2 TYR 79 4.678 -3.564 -9.947 587 HE1 TYR 79 HE1 TYR 79 6.148 0.844 -11.562 588 HE2 TYR 79 HE2 TYR 79 3.043 -1.746 -10.202 589 HH TYR 79 HH TYR 79 4.047 1.516 -11.110 590 H THR 80 HN THR 80 9.235 -2.606 -9.648 591 HA THR 80 HA THR 80 11.589 -1.629 -11.103 592 HB THR 80 HB THR 80 10.138 0.052 -9.062 593 HG1 THR 80 HG1 THR 80 9.937 0.333 -11.869 594 1HG2 THR 80 HG2 THR 80 11.921 1.007 -11.265 595 2HG2 THR 80 HG2 THR 80 12.555 0.526 -9.692 596 3HG2 THR 80 HG2 THR 80 11.402 1.856 -9.809 597 H VAL 81 HN VAL 81 10.312 -1.387 -7.781 598 HA VAL 81 HA VAL 81 12.757 -2.738 -6.846 599 HB VAL 81 HB VAL 81 11.411 -0.651 -5.170 600 1HG1 VAL 81 HG2 VAL 81 14.316 -0.920 -5.138 601 2HG1 VAL 81 HG2 VAL 81 13.468 -2.406 -4.714 602 3HG1 VAL 81 HG2 VAL 81 13.162 -0.926 -3.805 603 1HG2 VAL 81 HG1 VAL 81 12.774 1.087 -6.061 604 2HG2 VAL 81 HG1 VAL 81 11.945 0.327 -7.420 605 3HG2 VAL 81 HG1 VAL 81 13.640 -0.043 -7.103 606 H LEU 82 HN LEU 82 12.331 -4.542 -5.809 607 HA LEU 82 HA LEU 82 9.798 -4.816 -4.334 608 1HB LEU 82 HB2 LEU 82 11.282 -6.804 -6.053 609 2HB LEU 82 HB1 LEU 82 10.115 -7.319 -4.853 610 HG LEU 82 HG LEU 82 9.030 -7.312 -6.979 611 1HD1 LEU 82 HD1 LEU 82 7.501 -6.642 -5.367 612 2HD1 LEU 82 HD1 LEU 82 7.334 -5.421 -6.629 613 3HD1 LEU 82 HD1 LEU 82 8.254 -5.059 -5.169 614 1HD2 LEU 82 HD2 LEU 82 9.195 -4.468 -7.568 615 2HD2 LEU 82 HD2 LEU 82 9.416 -5.862 -8.625 616 3HD2 LEU 82 HD2 LEU 82 10.758 -5.283 -7.639 617 H ASP 83 HN ASP 83 10.397 -4.603 -2.236 618 HA ASP 83 HA ASP 83 12.512 -6.398 -1.261 619 1HB ASP 83 HB2 ASP 83 13.063 -4.538 0.419 620 2HB ASP 83 HB1 ASP 83 13.623 -4.320 -1.236 621 H ILE 84 HN ILE 84 12.332 -6.964 1.007 622 HA ILE 84 HA ILE 84 9.706 -6.455 2.203 623 HB ILE 84 HB ILE 84 9.335 -8.770 2.744 624 1HG1 ILE 84 HG1 ILE 84 11.796 -9.460 1.130 625 2HG1 ILE 84 HG1 ILE 84 11.792 -9.340 2.887 626 1HG2 ILE 84 HG2 ILE 84 9.772 -8.032 -0.106 627 2HG2 ILE 84 HG2 ILE 84 8.271 -8.364 0.759 628 3HG2 ILE 84 HG2 ILE 84 9.330 -9.693 0.286 629 1HD1 ILE 84 HD1 ILE 84 11.240 -11.586 1.365 630 2HD1 ILE 84 HD1 ILE 84 9.669 -11.050 1.960 631 3HD1 ILE 84 HD1 ILE 84 10.975 -11.384 3.096 632 H GLN 85 HN GLN 85 9.639 -7.497 4.466 633 HA GLN 85 HA GLN 85 12.174 -7.657 5.838 634 1HB GLN 85 HB2 GLN 85 10.363 -5.293 6.070 635 2HB GLN 85 HB1 GLN 85 11.164 -5.870 7.524 636 1HG GLN 85 HG1 GLN 85 13.323 -5.739 6.151 637 2HG GLN 85 HG2 GLN 85 12.383 -4.760 5.025 638 1HE2 GLN 85 HE2 GLN 85 10.793 -3.349 6.770 639 2HE2 GLN 85 HE2 GLN 85 11.778 -2.289 7.715 640 H GLN 86 HN GLN 86 11.863 -8.206 8.158 641 HA GLN 86 HA GLN 86 9.210 -9.228 8.826 642 1HB GLN 86 HB1 GLN 86 10.855 -10.969 7.680 643 2HB GLN 86 HB2 GLN 86 11.511 -11.065 9.308 644 1HG GLN 86 HG2 GLN 86 9.429 -11.795 10.192 645 2HG GLN 86 HG1 GLN 86 8.600 -11.456 8.674 646 1HE2 GLN 86 HE2 GLN 86 8.169 -13.858 9.590 647 2HE2 GLN 86 HE2 GLN 86 9.080 -15.061 8.749 648 H ASP 87 HN ASP 87 8.858 -9.536 11.059 649 HA ASP 87 HA ASP 87 10.954 -8.374 12.777 650 1HB ASP 87 HB1 ASP 87 7.967 -8.018 12.806 651 2HB ASP 87 HB2 ASP 87 8.923 -7.742 14.259 652 H GLY 88 HN GLY 88 7.892 -9.922 13.639 653 1HA GLY 88 HA1 GLY 88 9.376 -12.205 14.740 654 2HA GLY 88 HA2 GLY 88 8.335 -11.276 15.809 655 HA PRO 89 HA PRO 89 5.067 -13.927 14.457 656 1HB PRO 89 HB2 PRO 89 2.941 -12.639 15.431 657 2HB PRO 89 HB1 PRO 89 4.168 -13.319 16.506 658 1HG PRO 89 HG2 PRO 89 3.772 -10.485 15.628 659 2HG PRO 89 HG1 PRO 89 4.193 -11.111 17.232 660 1HD PRO 89 HD1 PRO 89 6.006 -10.081 15.416 661 2HD PRO 89 HD2 PRO 89 6.419 -11.189 16.739 662 H THR 90 HN THR 90 5.614 -10.956 13.013 663 HA THR 90 HA THR 90 3.567 -11.511 10.981 664 HB THR 90 HB THR 90 2.779 -9.314 10.889 665 HG1 THR 90 HG1 THR 90 3.869 -7.588 11.948 666 1HG2 THR 90 HG2 THR 90 2.765 -8.573 13.480 667 2HG2 THR 90 HG2 THR 90 3.096 -10.299 13.628 668 3HG2 THR 90 HG2 THR 90 1.658 -9.748 12.769 669 H ILE 91 HN ILE 91 3.982 -9.962 9.031 670 HA ILE 91 HA ILE 91 6.815 -9.464 8.576 671 HB ILE 91 HB ILE 91 6.653 -11.727 7.833 672 1HG1 ILE 91 HG1 ILE 91 6.393 -10.260 5.237 673 2HG1 ILE 91 HG1 ILE 91 7.693 -9.815 6.338 674 1HG2 ILE 91 HG2 ILE 91 5.021 -12.361 6.043 675 2HG2 ILE 91 HG2 ILE 91 4.216 -10.818 6.322 676 3HG2 ILE 91 HG2 ILE 91 4.303 -12.012 7.616 677 1HD1 ILE 91 HD1 ILE 91 7.398 -12.691 5.787 678 2HD1 ILE 91 HD1 ILE 91 8.849 -11.702 5.948 679 3HD1 ILE 91 HD1 ILE 91 7.932 -11.682 4.442 680 H ARG 92 HN ARG 92 7.220 -7.886 7.054 681 HA ARG 92 HA ARG 92 4.848 -6.635 5.830 682 1HB ARG 92 HB1 ARG 92 5.391 -5.078 7.439 683 2HB ARG 92 HB2 ARG 92 7.102 -5.470 7.397 684 1HG ARG 92 HG2 ARG 92 7.067 -4.398 5.056 685 2HG ARG 92 HG1 ARG 92 5.535 -3.692 5.577 686 1HD ARG 92 HD2 ARG 92 7.581 -3.417 7.602 687 2HD ARG 92 HD1 ARG 92 8.088 -2.703 6.071 688 HE ARG 92 HE ARG 92 5.430 -1.968 6.925 689 1HH1 ARG 92 HH1 ARG 92 8.825 -1.184 7.015 690 2HH1 ARG 92 HH1 ARG 92 8.561 0.489 7.377 691 1HH2 ARG 92 HH2 ARG 92 5.074 0.233 7.400 692 2HH2 ARG 92 HH2 ARG 92 6.429 1.294 7.595 693 H TYR 93 HN TYR 93 4.951 -6.119 3.733 694 HA TYR 93 HA TYR 93 7.532 -6.381 2.334 695 1HB TYR 93 HB1 TYR 93 4.912 -6.988 0.989 696 2HB TYR 93 HB2 TYR 93 6.528 -7.525 0.550 697 HD1 TYR 93 HD1 TYR 93 4.075 -7.908 3.360 698 HD2 TYR 93 HD2 TYR 93 7.066 -9.725 0.941 699 HE1 TYR 93 HE1 TYR 93 3.660 -10.062 4.473 700 HE2 TYR 93 HE2 TYR 93 6.655 -11.881 2.043 701 HH TYR 93 HH TYR 93 4.046 -12.293 4.374 702 H LEU 94 HN LEU 94 7.921 -4.860 0.660 703 HA LEU 94 HA LEU 94 5.855 -2.928 0.025 704 1HB LEU 94 HB1 LEU 94 7.348 -1.005 0.686 705 2HB LEU 94 HB2 LEU 94 6.603 -1.888 2.003 706 HG LEU 94 HG LEU 94 9.305 -2.796 1.221 707 1HD1 LEU 94 HD1 LEU 94 10.493 -1.007 2.162 708 2HD1 LEU 94 HD1 LEU 94 9.031 -0.268 2.816 709 3HD1 LEU 94 HD1 LEU 94 9.323 -0.255 1.076 710 1HD2 LEU 94 HD2 LEU 94 8.842 -2.126 3.990 711 2HD2 LEU 94 HD2 LEU 94 9.229 -3.683 3.256 712 3HD2 LEU 94 HD2 LEU 94 7.553 -3.146 3.351 713 H ILE 95 HN ILE 95 6.275 -1.667 -1.774 714 HA ILE 95 HA ILE 95 8.780 -2.202 -3.216 715 HB ILE 95 HB ILE 95 7.817 -2.968 -5.105 716 1HG1 ILE 95 HG1 ILE 95 5.209 -2.296 -5.475 717 2HG1 ILE 95 HG1 ILE 95 5.747 -0.912 -4.527 718 1HG2 ILE 95 HG2 ILE 95 7.039 -4.548 -3.504 719 2HG2 ILE 95 HG2 ILE 95 5.729 -4.280 -4.653 720 3HG2 ILE 95 HG2 ILE 95 5.675 -3.524 -3.059 721 1HD1 ILE 95 HD1 ILE 95 6.147 -0.152 -6.631 722 2HD1 ILE 95 HD1 ILE 95 6.523 -1.757 -7.263 723 3HD1 ILE 95 HD1 ILE 95 7.707 -0.899 -6.276 724 H GLN 96 HN GLN 96 9.306 -0.555 -4.829 725 HA GLN 96 HA GLN 96 7.803 1.932 -4.670 726 1HB GLN 96 HB1 GLN 96 9.715 3.273 -4.004 727 2HB GLN 96 HB2 GLN 96 9.386 2.053 -2.781 728 1HG GLN 96 HG2 GLN 96 11.194 0.793 -4.403 729 2HG GLN 96 HG1 GLN 96 11.746 2.466 -4.438 730 1HE2 GLN 96 HE2 GLN 96 13.532 2.290 -3.207 731 2HE2 GLN 96 HE2 GLN 96 13.529 1.816 -1.546 732 H LYS 97 HN LYS 97 9.143 3.669 -6.007 733 HA LYS 97 HA LYS 97 10.382 2.400 -8.337 734 1HB LYS 97 HB1 LYS 97 8.221 2.605 -9.190 735 2HB LYS 97 HB2 LYS 97 7.912 4.102 -8.323 736 1HG LYS 97 HG1 LYS 97 8.201 5.028 -10.344 737 2HG LYS 97 HG2 LYS 97 9.915 4.894 -9.947 738 1HD LYS 97 HD1 LYS 97 9.644 2.501 -10.995 739 2HD LYS 97 HD2 LYS 97 8.258 3.244 -11.795 740 1HE LYS 97 HE1 LYS 97 9.830 5.085 -12.524 741 2HE LYS 97 HE2 LYS 97 11.149 4.061 -11.959 742 1HZ LYS 97 HZ1 LYS 97 10.116 2.305 -13.477 743 2HZ LYS 97 HZ2 LYS 97 10.972 3.569 -14.205 744 3HZ LYS 97 HZ3 LYS 97 9.280 3.589 -14.195 Start of MODEL 7 1 1H MET 1 HT1 MET 1 -37.003 0.994 -5.870 2 2H MET 1 HT2 MET 1 -36.798 2.696 -5.930 3 3H MET 1 HT3 MET 1 -38.260 2.029 -5.329 4 HA MET 1 HA MET 1 -35.582 1.867 -4.123 5 1HB MET 1 HB2 MET 1 -38.171 3.141 -3.208 6 2HB MET 1 HB1 MET 1 -36.645 3.167 -2.337 7 1HG MET 1 HG2 MET 1 -35.633 4.549 -3.985 8 2HG MET 1 HG1 MET 1 -37.009 4.357 -5.071 9 1HE MET 1 HE1 MET 1 -38.040 7.037 -5.329 10 2HE MET 1 HE2 MET 1 -36.294 6.879 -5.134 11 3HE MET 1 HE3 MET 1 -37.180 8.086 -4.202 12 H GLY 2 HN GLY 2 -35.254 -0.075 -3.255 13 1HA GLY 2 HA2 GLY 2 -37.504 -1.764 -2.520 14 2HA GLY 2 HA1 GLY 2 -35.808 -2.226 -2.520 15 H SER 3 HN SER 3 -36.737 0.714 -0.954 16 HA SER 3 HA SER 3 -36.549 -0.617 1.664 17 1HB SER 3 HB2 SER 3 -35.601 2.148 1.649 18 2HB SER 3 HB1 SER 3 -34.847 0.704 2.325 19 HG SER 3 HG SER 3 -34.421 0.243 -0.049 20 H SER 4 HN SER 4 -37.783 0.253 3.342 21 HA SER 4 HA SER 4 -39.849 2.173 2.485 22 1HB SER 4 HB2 SER 4 -40.592 -0.222 2.943 23 2HB SER 4 HB1 SER 4 -40.201 0.081 4.636 24 HG SER 4 HG SER 4 -41.645 2.027 4.266 25 H HIS 5 HN HIS 5 -38.835 0.862 5.634 26 HA HIS 5 HA HIS 5 -38.608 3.633 6.606 27 1HB HIS 5 HB1 HIS 5 -39.282 1.082 8.084 28 2HB HIS 5 HB2 HIS 5 -38.981 2.623 8.879 29 HD2 HIS 5 HD2 HIS 5 -41.895 1.295 9.214 30 HE1 HIS 5 HE1 HIS 5 -43.103 4.219 6.402 31 HE2 HIS 5 HE2 HIS 5 -43.892 2.589 8.178 32 H HIS 6 HN HIS 6 -36.608 1.660 5.332 33 HA HIS 6 HA HIS 6 -34.698 0.946 7.262 34 1HB HIS 6 HB2 HIS 6 -34.711 1.272 4.303 35 2HB HIS 6 HB1 HIS 6 -33.143 1.220 5.104 36 HD2 HIS 6 HD2 HIS 6 -33.789 -1.240 3.203 37 HE1 HIS 6 HE1 HIS 6 -34.737 -3.314 6.770 38 HE2 HIS 6 HE2 HIS 6 -34.152 -3.557 4.314 39 H HIS 7 HN HIS 7 -32.648 1.890 7.736 40 HA HIS 7 HA HIS 7 -32.801 4.736 8.092 41 1HB HIS 7 HB1 HIS 7 -30.720 2.670 8.812 42 2HB HIS 7 HB2 HIS 7 -30.495 4.388 9.125 43 HD2 HIS 7 HD2 HIS 7 -30.507 2.786 11.767 44 HE1 HIS 7 HE1 HIS 7 -34.640 3.656 12.046 45 HE2 HIS 7 HE2 HIS 7 -32.585 2.889 13.318 46 H HIS 8 HN HIS 8 -31.784 2.790 5.578 47 HA HIS 8 HA HIS 8 -30.263 5.011 4.416 48 1HB HIS 8 HB1 HIS 8 -29.205 2.407 5.134 49 2HB HIS 8 HB2 HIS 8 -29.036 2.708 3.408 50 HD2 HIS 8 HD2 HIS 8 -26.878 4.151 2.752 51 HE1 HIS 8 HE1 HIS 8 -26.133 5.779 6.589 52 HE2 HIS 8 HE2 HIS 8 -25.289 5.603 4.204 53 H HIS 9 HN HIS 9 -31.160 5.576 2.559 54 HA HIS 9 HA HIS 9 -32.617 3.534 1.015 55 1HB HIS 9 HB1 HIS 9 -33.789 5.578 0.005 56 2HB HIS 9 HB2 HIS 9 -34.193 5.165 1.668 57 HD2 HIS 9 HD2 HIS 9 -31.374 7.528 0.197 58 HE1 HIS 9 HE1 HIS 9 -33.495 9.491 3.289 59 HE2 HIS 9 HE2 HIS 9 -31.604 9.691 1.610 60 H HIS 10 HN HIS 10 -32.897 5.101 -1.329 61 HA HIS 10 HA HIS 10 -30.389 4.536 -2.583 62 1HB HIS 10 HB1 HIS 10 -33.009 4.758 -3.447 63 2HB HIS 10 HB2 HIS 10 -32.239 6.184 -4.137 64 HD2 HIS 10 HD2 HIS 10 -30.384 5.714 -6.134 65 HE1 HIS 10 HE1 HIS 10 -31.059 1.538 -6.298 66 HE2 HIS 10 HE2 HIS 10 -29.939 3.511 -7.431 67 H SER 11 HN SER 11 -28.873 5.886 -1.591 68 HA SER 11 HA SER 11 -29.103 8.732 -2.320 69 1HB SER 11 HB2 SER 11 -28.603 7.503 0.266 70 2HB SER 11 HB1 SER 11 -27.296 8.595 -0.191 71 HG SER 11 HG SER 11 -29.503 9.318 0.869 72 H SER 12 HN SER 12 -26.470 9.408 -1.500 73 HA SER 12 HA SER 12 -25.023 8.511 -3.816 74 1HB SER 12 HB1 SER 12 -25.009 10.856 -2.591 75 2HB SER 12 HB2 SER 12 -23.715 10.110 -1.654 76 HG SER 12 HG SER 12 -22.969 11.226 -3.537 77 H GLY 13 HN GLY 13 -25.095 6.211 -3.072 78 1HA GLY 13 HA2 GLY 13 -22.732 5.656 -1.390 79 2HA GLY 13 HA1 GLY 13 -24.215 4.729 -1.217 80 H LEU 14 HN LEU 14 -21.856 5.691 -3.703 81 HA LEU 14 HA LEU 14 -22.271 3.080 -4.994 82 1HB LEU 14 HB2 LEU 14 -21.102 4.193 -6.949 83 2HB LEU 14 HB1 LEU 14 -22.709 4.774 -6.564 84 HG LEU 14 HG LEU 14 -20.660 6.309 -5.192 85 1HD1 LEU 14 HD2 LEU 14 -19.399 5.615 -7.241 86 2HD1 LEU 14 HD2 LEU 14 -19.630 7.355 -7.066 87 3HD1 LEU 14 HD2 LEU 14 -20.627 6.444 -8.198 88 1HD2 LEU 14 HD1 LEU 14 -22.777 7.253 -5.276 89 2HD2 LEU 14 HD1 LEU 14 -23.006 6.831 -6.974 90 3HD2 LEU 14 HD1 LEU 14 -21.901 8.132 -6.530 91 H VAL 15 HN VAL 15 -19.778 5.353 -3.926 92 HA VAL 15 HA VAL 15 -17.753 3.249 -4.244 93 HB VAL 15 HB VAL 15 -16.103 5.088 -3.869 94 1HG1 VAL 15 HG2 VAL 15 -17.271 4.319 -6.141 95 2HG1 VAL 15 HG2 VAL 15 -16.049 5.588 -6.082 96 3HG1 VAL 15 HG2 VAL 15 -17.760 6.013 -6.141 97 1HG2 VAL 15 HG1 VAL 15 -17.355 6.682 -2.641 98 2HG2 VAL 15 HG1 VAL 15 -18.603 6.763 -3.885 99 3HG2 VAL 15 HG1 VAL 15 -16.997 7.422 -4.201 100 HA PRO 16 HA PRO 16 -17.553 2.601 0.125 101 1HB PRO 16 HB1 PRO 16 -14.972 1.792 0.389 102 2HB PRO 16 HB2 PRO 16 -16.237 0.770 -0.302 103 1HG PRO 16 HG1 PRO 16 -14.155 2.414 -1.689 104 2HG PRO 16 HG2 PRO 16 -14.715 0.773 -2.060 105 1HD PRO 16 HD2 PRO 16 -15.557 2.948 -3.437 106 2HD PRO 16 HD1 PRO 16 -16.587 1.528 -3.172 107 H ARG 17 HN ARG 17 -15.232 2.897 1.701 108 HA ARG 17 HA ARG 17 -15.371 5.669 2.303 109 1HB ARG 17 HB2 ARG 17 -14.226 3.279 3.487 110 2HB ARG 17 HB1 ARG 17 -13.139 4.653 3.635 111 1HG ARG 17 HG2 ARG 17 -15.658 5.640 4.314 112 2HG ARG 17 HG1 ARG 17 -15.547 4.056 5.087 113 1HD ARG 17 HD1 ARG 17 -13.192 5.849 5.282 114 2HD ARG 17 HD2 ARG 17 -14.616 6.269 6.232 115 HE ARG 17 HE ARG 17 -14.320 4.338 7.505 116 1HH1 ARG 17 HH1 ARG 17 -11.958 4.560 4.951 117 2HH1 ARG 17 HH1 ARG 17 -10.925 3.345 5.628 118 1HH2 ARG 17 HH2 ARG 17 -12.965 2.738 8.400 119 2HH2 ARG 17 HH2 ARG 17 -11.497 2.310 7.587 120 H GLY 18 HN GLY 18 -14.658 6.847 0.537 121 1HA GLY 18 HA2 GLY 18 -11.762 6.629 -0.018 122 2HA GLY 18 HA1 GLY 18 -12.940 7.031 -1.258 123 H SER 19 HN SER 19 -11.015 8.201 1.345 124 HA SER 19 HA SER 19 -12.244 10.699 1.763 125 1HB SER 19 HB2 SER 19 -9.486 9.616 2.256 126 2HB SER 19 HB1 SER 19 -9.820 11.329 2.510 127 HG SER 19 HG SER 19 -11.716 10.379 3.779 128 H HIS 20 HN HIS 20 -9.112 10.204 0.129 129 HA HIS 20 HA HIS 20 -9.849 12.389 -1.706 130 1HB HIS 20 HB1 HIS 20 -7.002 11.674 -1.065 131 2HB HIS 20 HB2 HIS 20 -7.649 13.194 -1.674 132 HD2 HIS 20 HD2 HIS 20 -6.148 12.047 1.427 133 HE1 HIS 20 HE1 HIS 20 -9.187 14.715 2.679 134 HE2 HIS 20 HE2 HIS 20 -7.099 13.460 3.384 135 H MET 21 HN MET 21 -8.014 12.259 -3.612 136 HA MET 21 HA MET 21 -8.756 9.897 -5.067 137 1HB MET 21 HB1 MET 21 -7.546 12.495 -5.661 138 2HB MET 21 HB2 MET 21 -6.856 11.179 -6.601 139 1HG MET 21 HG1 MET 21 -9.559 10.716 -6.775 140 2HG MET 21 HG2 MET 21 -9.446 12.475 -6.819 141 1HE MET 21 HE1 MET 21 -9.845 10.817 -10.510 142 2HE MET 21 HE2 MET 21 -10.555 12.119 -9.555 143 3HE MET 21 HE3 MET 21 -10.565 10.468 -8.938 144 H LYS 22 HN LYS 22 -6.497 9.432 -6.627 145 HA LYS 22 HA LYS 22 -4.558 8.376 -4.677 146 1HB LYS 22 HB1 LYS 22 -5.373 6.963 -7.219 147 2HB LYS 22 HB2 LYS 22 -4.381 6.331 -5.911 148 1HG LYS 22 HG1 LYS 22 -6.302 5.331 -5.314 149 2HG LYS 22 HG2 LYS 22 -6.625 6.888 -4.547 150 1HD LYS 22 HD2 LYS 22 -7.525 7.381 -7.044 151 2HD LYS 22 HD1 LYS 22 -7.856 5.651 -6.924 152 1HE LYS 22 HE2 LYS 22 -8.644 7.469 -4.689 153 2HE LYS 22 HE1 LYS 22 -9.640 7.390 -6.142 154 1HZ LYS 22 HZ1 LYS 22 -8.872 5.033 -4.509 155 2HZ LYS 22 HZ2 LYS 22 -9.942 5.050 -5.819 156 3HZ LYS 22 HZ3 LYS 22 -10.351 5.842 -4.382 157 H ASN 23 HN ASN 23 -3.638 10.567 -5.372 158 HA ASN 23 HA ASN 23 -2.002 10.203 -7.796 159 1HB ASN 23 HB2 ASN 23 -1.845 12.806 -7.621 160 2HB ASN 23 HB1 ASN 23 -3.290 12.071 -8.311 161 1HD2 ASN 23 HD2 ASN 23 -2.052 14.110 -5.924 162 2HD2 ASN 23 HD2 ASN 23 -3.511 14.362 -5.034 163 H ILE 24 HN ILE 24 -1.421 9.282 -5.091 164 HA ILE 24 HA ILE 24 0.902 10.973 -4.441 165 HB ILE 24 HB ILE 24 -0.035 8.901 -2.523 166 1HG1 ILE 24 HG1 ILE 24 -1.393 11.247 -1.795 167 2HG1 ILE 24 HG1 ILE 24 -1.731 11.037 -3.510 168 1HG2 ILE 24 HG2 ILE 24 0.688 10.584 -0.896 169 2HG2 ILE 24 HG2 ILE 24 1.029 11.706 -2.213 170 3HG2 ILE 24 HG2 ILE 24 1.960 10.216 -2.061 171 1HD1 ILE 24 HD1 ILE 24 -2.691 9.532 -1.213 172 2HD1 ILE 24 HD1 ILE 24 -2.110 8.515 -2.532 173 3HD1 ILE 24 HD1 ILE 24 -3.377 9.707 -2.828 174 H VAL 25 HN VAL 25 2.686 9.595 -3.312 175 HA VAL 25 HA VAL 25 3.727 7.826 -5.241 176 HB VAL 25 HB VAL 25 4.728 7.756 -2.424 177 1HG1 VAL 25 HG2 VAL 25 6.892 8.002 -3.933 178 2HG1 VAL 25 HG2 VAL 25 5.801 7.368 -5.165 179 3HG1 VAL 25 HG2 VAL 25 6.097 6.447 -3.690 180 1HG2 VAL 25 HG1 VAL 25 4.432 10.153 -4.050 181 2HG2 VAL 25 HG1 VAL 25 6.102 9.847 -3.573 182 3HG2 VAL 25 HG1 VAL 25 4.845 9.985 -2.344 183 HA PRO 26 HA PRO 26 2.692 4.291 -2.011 184 1HB PRO 26 HB2 PRO 26 0.454 4.823 -0.502 185 2HB PRO 26 HB1 PRO 26 2.112 5.025 0.070 186 1HG PRO 26 HG1 PRO 26 0.215 7.072 -1.009 187 2HG PRO 26 HG2 PRO 26 1.325 7.190 0.370 188 1HD PRO 26 HD2 PRO 26 1.915 8.300 -1.997 189 2HD PRO 26 HD1 PRO 26 3.172 7.551 -0.989 190 H ASP 27 HN ASP 27 2.089 3.407 -3.998 191 HA ASP 27 HA ASP 27 -0.286 3.907 -5.375 192 1HB ASP 27 HB1 ASP 27 1.932 2.384 -5.848 193 2HB ASP 27 HB2 ASP 27 0.712 1.144 -5.569 194 H TYR 28 HN TYR 28 0.338 0.779 -3.736 195 HA TYR 28 HA TYR 28 -2.406 0.934 -2.674 196 1HB TYR 28 HB1 TYR 28 -2.123 -0.457 -4.851 197 2HB TYR 28 HB2 TYR 28 -1.378 -1.652 -3.794 198 HD1 TYR 28 HD1 TYR 28 -2.704 -3.125 -2.542 199 HD2 TYR 28 HD2 TYR 28 -4.490 0.314 -4.296 200 HE1 TYR 28 HE1 TYR 28 -4.928 -3.976 -1.932 201 HE2 TYR 28 HE2 TYR 28 -6.720 -0.527 -3.690 202 HH TYR 28 HH TYR 28 -7.864 -2.098 -2.605 203 H ARG 29 HN ARG 29 -2.877 -0.743 -1.034 204 HA ARG 29 HA ARG 29 -0.501 -1.607 0.454 205 1HB ARG 29 HB1 ARG 29 -1.578 -0.897 2.566 206 2HB ARG 29 HB2 ARG 29 -1.229 0.458 1.501 207 1HG ARG 29 HG2 ARG 29 -3.795 -0.257 0.798 208 2HG ARG 29 HG1 ARG 29 -3.765 -0.479 2.549 209 1HD ARG 29 HD1 ARG 29 -2.521 1.882 2.395 210 2HD ARG 29 HD2 ARG 29 -3.504 1.990 0.936 211 HE ARG 29 HE ARG 29 -4.536 1.690 3.675 212 1HH1 ARG 29 HH1 ARG 29 -4.996 2.501 0.316 213 2HH1 ARG 29 HH1 ARG 29 -6.584 3.147 0.557 214 1HH2 ARG 29 HH2 ARG 29 -6.626 2.539 4.001 215 2HH2 ARG 29 HH2 ARG 29 -7.511 3.169 2.652 216 H LEU 30 HN LEU 30 -0.701 -3.525 1.545 217 HA LEU 30 HA LEU 30 -3.305 -4.875 1.519 218 1HB LEU 30 HB1 LEU 30 -1.636 -5.540 -0.384 219 2HB LEU 30 HB2 LEU 30 -0.796 -6.399 0.891 220 HG LEU 30 HG LEU 30 -2.466 -7.701 -0.583 221 1HD1 LEU 30 HD2 LEU 30 -3.294 -8.962 1.483 222 2HD1 LEU 30 HD2 LEU 30 -2.376 -7.781 2.417 223 3HD1 LEU 30 HD2 LEU 30 -1.551 -8.819 1.254 224 1HD2 LEU 30 HD1 LEU 30 -4.492 -6.632 1.354 225 2HD2 LEU 30 HD1 LEU 30 -4.747 -7.576 -0.114 226 3HD2 LEU 30 HD1 LEU 30 -4.242 -5.890 -0.226 227 H ASP 31 HN ASP 31 -3.363 -4.323 3.761 228 HA ASP 31 HA ASP 31 -1.358 -5.640 5.448 229 1HB ASP 31 HB1 ASP 31 -2.742 -4.217 7.231 230 2HB ASP 31 HB2 ASP 31 -1.454 -3.503 6.265 231 H MET 32 HN MET 32 -2.530 -7.694 4.778 232 HA MET 32 HA MET 32 -4.534 -8.283 6.825 233 1HB MET 32 HB2 MET 32 -4.813 -8.916 3.888 234 2HB MET 32 HB1 MET 32 -5.765 -9.710 5.135 235 1HG MET 32 HG1 MET 32 -6.004 -6.960 5.615 236 2HG MET 32 HG2 MET 32 -6.171 -7.172 3.872 237 1HE MET 32 HE1 MET 32 -8.729 -7.977 2.829 238 2HE MET 32 HE2 MET 32 -9.077 -9.583 3.470 239 3HE MET 32 HE3 MET 32 -7.445 -9.180 2.939 240 H VAL 33 HN VAL 33 -4.180 -10.700 4.489 241 HA VAL 33 HA VAL 33 -2.013 -12.029 5.950 242 HB VAL 33 HB VAL 33 -4.591 -13.421 5.202 243 1HG1 VAL 33 HG1 VAL 33 -2.866 -14.679 7.172 244 2HG1 VAL 33 HG1 VAL 33 -2.074 -14.468 5.611 245 3HG1 VAL 33 HG1 VAL 33 -3.597 -15.351 5.714 246 1HG2 VAL 33 HG2 VAL 33 -5.288 -12.154 6.991 247 2HG2 VAL 33 HG2 VAL 33 -3.694 -12.148 7.747 248 3HG2 VAL 33 HG2 VAL 33 -4.694 -13.599 7.807 249 H GLY 34 HN GLY 34 -0.763 -13.428 4.699 250 1HA GLY 34 HA2 GLY 34 -0.641 -12.891 1.928 251 2HA GLY 34 HA1 GLY 34 0.235 -14.167 2.759 252 H GLU 35 HN GLU 35 -2.813 -14.778 3.587 253 HA GLU 35 HA GLU 35 -3.096 -17.023 1.904 254 1HB GLU 35 HB1 GLU 35 -4.761 -17.589 3.322 255 2HB GLU 35 HB2 GLU 35 -4.196 -16.220 4.270 256 1HG GLU 35 HG2 GLU 35 -5.873 -14.881 2.770 257 2HG GLU 35 HG1 GLU 35 -6.609 -16.468 2.548 258 HA PRO 36 HA PRO 36 -5.103 -15.669 -1.778 259 1HB PRO 36 HB2 PRO 36 -7.352 -17.518 -1.169 260 2HB PRO 36 HB1 PRO 36 -6.344 -17.407 -2.617 261 1HG PRO 36 HG2 PRO 36 -6.000 -19.385 -0.867 262 2HG PRO 36 HG1 PRO 36 -4.612 -18.619 -1.661 263 1HD PRO 36 HD2 PRO 36 -5.637 -18.270 1.123 264 2HD PRO 36 HD1 PRO 36 -3.963 -18.306 0.533 265 H CYS 37 HN CYS 37 -5.653 -13.565 -1.116 266 HA CYS 37 HA CYS 37 -8.211 -13.126 0.197 267 1HB CYS 37 HB2 CYS 37 -6.800 -11.568 1.077 268 2HB CYS 37 HB1 CYS 37 -5.788 -11.517 -0.361 269 HG CYS 37 HG CYS 37 -8.281 -9.766 0.130 270 HA PRO 38 HA PRO 38 -10.836 -12.439 -3.269 271 1HB PRO 38 HB2 PRO 38 -11.319 -9.739 -2.081 272 2HB PRO 38 HB1 PRO 38 -12.482 -10.934 -2.665 273 1HG PRO 38 HG2 PRO 38 -12.044 -10.623 -0.055 274 2HG PRO 38 HG1 PRO 38 -12.306 -12.233 -0.750 275 1HD PRO 38 HD2 PRO 38 -9.796 -10.975 0.225 276 2HD PRO 38 HD1 PRO 38 -10.272 -12.684 0.208 277 H TYR 39 HN TYR 39 -9.381 -9.276 -2.430 278 HA TYR 39 HA TYR 39 -8.181 -9.174 -5.098 279 1HB TYR 39 HB1 TYR 39 -8.961 -6.616 -4.957 280 2HB TYR 39 HB2 TYR 39 -9.941 -7.864 -5.719 281 HD1 TYR 39 HD1 TYR 39 -9.549 -5.774 -2.712 282 HD2 TYR 39 HD2 TYR 39 -12.021 -8.566 -4.760 283 HE1 TYR 39 HE1 TYR 39 -11.400 -5.248 -1.182 284 HE2 TYR 39 HE2 TYR 39 -13.879 -8.048 -3.236 285 HH TYR 39 HH TYR 39 -13.441 -6.120 -0.390 286 HA PRO 40 HA PRO 40 -5.333 -7.450 -1.917 287 1HB PRO 40 HB2 PRO 40 -3.473 -9.370 -1.875 288 2HB PRO 40 HB1 PRO 40 -4.993 -9.544 -0.994 289 1HG PRO 40 HG1 PRO 40 -4.116 -10.816 -3.532 290 2HG PRO 40 HG2 PRO 40 -5.192 -11.442 -2.271 291 1HD PRO 40 HD2 PRO 40 -5.953 -10.251 -4.726 292 2HD PRO 40 HD1 PRO 40 -7.015 -10.681 -3.373 293 H ALA 41 HN ALA 41 -2.999 -9.312 -3.592 294 HA ALA 41 HA ALA 41 -1.521 -7.124 -4.492 295 1HB ALA 41 HB1 ALA 41 -0.559 -9.335 -4.111 296 2HB ALA 41 HB2 ALA 41 -0.180 -8.736 -5.726 297 3HB ALA 41 HB3 ALA 41 -1.433 -9.959 -5.509 298 H VAL 42 HN VAL 42 -4.408 -8.196 -5.733 299 HA VAL 42 HA VAL 42 -4.189 -8.242 -8.467 300 HB VAL 42 HB VAL 42 -6.387 -6.802 -6.980 301 1HG1 VAL 42 HG1 VAL 42 -6.155 -6.652 -9.543 302 2HG1 VAL 42 HG1 VAL 42 -7.722 -7.097 -8.865 303 3HG1 VAL 42 HG1 VAL 42 -6.665 -8.340 -9.537 304 1HG2 VAL 42 HG2 VAL 42 -7.518 -9.099 -7.217 305 2HG2 VAL 42 HG2 VAL 42 -6.315 -8.891 -5.944 306 3HG2 VAL 42 HG2 VAL 42 -5.883 -9.723 -7.439 307 H ALA 43 HN ALA 43 -3.944 -5.501 -6.318 308 HA ALA 43 HA ALA 43 -4.090 -3.501 -8.368 309 1HB ALA 43 HB1 ALA 43 -4.585 -2.445 -6.449 310 2HB ALA 43 HB2 ALA 43 -2.836 -2.247 -6.329 311 3HB ALA 43 HB3 ALA 43 -3.636 -3.562 -5.468 312 H THR 44 HN THR 44 -1.478 -5.076 -6.564 313 HA THR 44 HA THR 44 0.718 -3.674 -7.381 314 HB THR 44 HB THR 44 0.899 -6.653 -7.385 315 HG1 THR 44 HG1 THR 44 -0.651 -5.974 -5.741 316 1HG2 THR 44 HG2 THR 44 2.804 -4.765 -7.284 317 2HG2 THR 44 HG2 THR 44 2.969 -6.376 -6.584 318 3HG2 THR 44 HG2 THR 44 2.509 -5.013 -5.562 319 H LEU 45 HN LEU 45 -0.624 -6.512 -9.080 320 HA LEU 45 HA LEU 45 1.154 -6.423 -11.240 321 1HB LEU 45 HB1 LEU 45 -1.529 -7.665 -10.798 322 2HB LEU 45 HB2 LEU 45 -0.825 -7.687 -12.403 323 HG LEU 45 HG LEU 45 0.356 -8.909 -9.905 324 1HD1 LEU 45 HD1 LEU 45 -0.222 -10.973 -10.748 325 2HD1 LEU 45 HD1 LEU 45 -0.349 -10.380 -12.404 326 3HD1 LEU 45 HD1 LEU 45 -1.605 -9.992 -11.229 327 1HD2 LEU 45 HD2 LEU 45 2.282 -8.354 -10.988 328 2HD2 LEU 45 HD2 LEU 45 1.517 -8.337 -12.578 329 3HD2 LEU 45 HD2 LEU 45 1.919 -9.873 -11.809 330 H GLU 46 HN GLU 46 -2.262 -5.369 -11.178 331 HA GLU 46 HA GLU 46 -2.263 -4.225 -13.733 332 1HB GLU 46 HB2 GLU 46 -3.949 -3.250 -11.433 333 2HB GLU 46 HB1 GLU 46 -4.341 -3.222 -13.147 334 1HG GLU 46 HG1 GLU 46 -4.563 -5.607 -13.193 335 2HG GLU 46 HG2 GLU 46 -3.985 -5.730 -11.532 336 H ALA 47 HN ALA 47 -0.774 -3.171 -10.885 337 HA ALA 47 HA ALA 47 -0.860 -0.353 -11.353 338 1HB ALA 47 HB1 ALA 47 -0.442 -1.344 -9.127 339 2HB ALA 47 HB2 ALA 47 0.791 -0.178 -9.606 340 3HB ALA 47 HB3 ALA 47 1.126 -1.908 -9.703 341 H MET 48 HN MET 48 1.386 -2.953 -12.160 342 HA MET 48 HA MET 48 3.584 -1.565 -13.009 343 1HB MET 48 HB1 MET 48 2.376 -4.160 -13.717 344 2HB MET 48 HB2 MET 48 3.490 -3.507 -14.910 345 1HG MET 48 HG1 MET 48 4.867 -3.142 -12.582 346 2HG MET 48 HG2 MET 48 4.009 -4.651 -12.276 347 1HE MET 48 HE1 MET 48 7.127 -3.110 -14.465 348 2HE MET 48 HE2 MET 48 5.541 -2.786 -15.164 349 3HE MET 48 HE3 MET 48 6.635 -3.923 -15.950 350 HA PRO 49 HA PRO 49 1.642 -0.943 -17.441 351 1HB PRO 49 HB2 PRO 49 -1.244 -1.015 -16.797 352 2HB PRO 49 HB1 PRO 49 -0.383 -1.693 -18.183 353 1HG PRO 49 HG1 PRO 49 -1.354 -3.266 -16.249 354 2HG PRO 49 HG2 PRO 49 0.186 -3.629 -17.050 355 1HD PRO 49 HD2 PRO 49 -0.312 -2.404 -14.365 356 2HD PRO 49 HD1 PRO 49 0.909 -3.599 -14.849 357 H GLN 50 HN GLN 50 -0.804 0.047 -15.042 358 HA GLN 50 HA GLN 50 -0.791 2.765 -15.926 359 1HB GLN 50 HB1 GLN 50 -1.971 1.576 -13.410 360 2HB GLN 50 HB2 GLN 50 -2.344 3.158 -14.080 361 1HG GLN 50 HG1 GLN 50 -2.933 1.642 -16.202 362 2HG GLN 50 HG2 GLN 50 -3.254 0.481 -14.915 363 1HE2 GLN 50 HE2 GLN 50 -4.385 3.189 -16.611 364 2HE2 GLN 50 HE2 GLN 50 -5.818 3.472 -15.688 365 H LEU 51 HN LEU 51 1.771 1.568 -14.826 366 HA LEU 51 HA LEU 51 2.466 2.547 -12.352 367 1HB LEU 51 HB1 LEU 51 4.714 2.334 -12.984 368 2HB LEU 51 HB2 LEU 51 3.860 1.142 -13.940 369 HG LEU 51 HG LEU 51 3.878 3.356 -15.590 370 1HD1 LEU 51 HD1 LEU 51 6.523 3.673 -15.504 371 2HD1 LEU 51 HD1 LEU 51 6.218 3.415 -13.786 372 3HD1 LEU 51 HD1 LEU 51 5.406 4.729 -14.638 373 1HD2 LEU 51 HD2 LEU 51 5.795 1.034 -15.465 374 2HD2 LEU 51 HD2 LEU 51 5.593 2.106 -16.852 375 3HD2 LEU 51 HD2 LEU 51 4.253 1.090 -16.320 376 H LYS 52 HN LYS 52 4.255 4.283 -12.110 377 HA LYS 52 HA LYS 52 3.879 6.687 -13.641 378 1HB LYS 52 HB1 LYS 52 2.255 7.598 -12.407 379 2HB LYS 52 HB2 LYS 52 2.259 6.205 -11.337 380 1HG LYS 52 HG1 LYS 52 4.291 7.360 -10.250 381 2HG LYS 52 HG2 LYS 52 3.661 8.809 -11.034 382 1HD LYS 52 HD2 LYS 52 1.660 7.199 -9.606 383 2HD LYS 52 HD1 LYS 52 2.894 7.932 -8.580 384 1HE LYS 52 HE2 LYS 52 1.454 9.677 -8.621 385 2HE LYS 52 HE1 LYS 52 2.316 10.038 -10.117 386 1HZ LYS 52 HZ1 LYS 52 0.585 9.225 -11.404 387 2HZ LYS 52 HZ2 LYS 52 -0.226 10.027 -10.155 388 3HZ LYS 52 HZ3 LYS 52 -0.098 8.341 -10.134 389 H LYS 53 HN LYS 53 5.257 8.488 -12.761 390 HA LYS 53 HA LYS 53 7.839 7.451 -12.121 391 1HB LYS 53 HB1 LYS 53 6.692 10.152 -12.660 392 2HB LYS 53 HB2 LYS 53 8.256 10.058 -11.861 393 1HG LYS 53 HG2 LYS 53 9.309 9.256 -13.706 394 2HG LYS 53 HG1 LYS 53 7.871 8.427 -14.305 395 1HD LYS 53 HD1 LYS 53 8.000 11.419 -14.237 396 2HD LYS 53 HD2 LYS 53 8.726 10.514 -15.567 397 1HE LYS 53 HE2 LYS 53 6.683 10.681 -16.487 398 2HE LYS 53 HE1 LYS 53 6.294 9.335 -15.416 399 1HZ LYS 53 HZ1 LYS 53 5.972 12.144 -14.552 400 2HZ LYS 53 HZ2 LYS 53 5.273 10.753 -13.893 401 3HZ LYS 53 HZ3 LYS 53 4.749 11.331 -15.393 402 H GLY 54 HN GLY 54 5.599 7.184 -10.116 403 1HA GLY 54 HA2 GLY 54 7.192 7.638 -7.789 404 2HA GLY 54 HA1 GLY 54 5.870 8.791 -7.899 405 H GLU 55 HN GLU 55 6.496 5.298 -8.128 406 HA GLU 55 HA GLU 55 3.865 4.839 -6.893 407 1HB GLU 55 HB2 GLU 55 4.104 3.917 -9.136 408 2HB GLU 55 HB1 GLU 55 5.513 3.000 -8.634 409 1HG GLU 55 HG2 GLU 55 3.178 2.482 -6.987 410 2HG GLU 55 HG1 GLU 55 2.912 2.118 -8.688 411 H ILE 56 HN ILE 56 3.661 3.189 -5.339 412 HA ILE 56 HA ILE 56 5.958 1.940 -4.176 413 HB ILE 56 HB ILE 56 4.963 4.476 -3.063 414 1HG1 ILE 56 HG1 ILE 56 7.474 2.920 -2.433 415 2HG1 ILE 56 HG1 ILE 56 7.304 3.923 -3.870 416 1HG2 ILE 56 HG2 ILE 56 3.958 2.906 -1.458 417 2HG2 ILE 56 HG2 ILE 56 5.234 3.883 -0.733 418 3HG2 ILE 56 HG2 ILE 56 5.551 2.205 -1.171 419 1HD1 ILE 56 HD1 ILE 56 8.487 5.088 -2.095 420 2HD1 ILE 56 HD1 ILE 56 7.098 4.883 -1.027 421 3HD1 ILE 56 HD1 ILE 56 6.958 5.883 -2.473 422 H LEU 57 HN LEU 57 5.357 0.516 -2.370 423 HA LEU 57 HA LEU 57 2.482 0.093 -2.053 424 1HB LEU 57 HB2 LEU 57 3.798 -1.445 -3.799 425 2HB LEU 57 HB1 LEU 57 4.117 -2.352 -2.349 426 HG LEU 57 HG LEU 57 1.541 -2.218 -2.004 427 1HD1 LEU 57 HD2 LEU 57 0.198 -1.772 -3.806 428 2HD1 LEU 57 HD2 LEU 57 1.473 -2.106 -4.978 429 3HD1 LEU 57 HD2 LEU 57 1.491 -0.600 -4.060 430 1HD2 LEU 57 HD1 LEU 57 1.972 -4.006 -4.258 431 2HD2 LEU 57 HD1 LEU 57 1.569 -4.373 -2.581 432 3HD2 LEU 57 HD1 LEU 57 3.249 -4.106 -3.046 433 H GLU 58 HN GLU 58 1.997 -1.441 -0.328 434 HA GLU 58 HA GLU 58 4.127 -1.982 1.502 435 1HB GLU 58 HB1 GLU 58 1.912 -0.818 3.008 436 2HB GLU 58 HB2 GLU 58 3.638 -0.521 3.154 437 1HG GLU 58 HG1 GLU 58 3.592 1.281 1.768 438 2HG GLU 58 HG2 GLU 58 2.218 0.681 0.840 439 H VAL 59 HN VAL 59 3.804 -3.931 2.424 440 HA VAL 59 HA VAL 59 1.056 -5.000 2.438 441 HB VAL 59 HB VAL 59 3.534 -6.562 1.707 442 1HG1 VAL 59 HG2 VAL 59 1.090 -7.432 2.741 443 2HG1 VAL 59 HG2 VAL 59 2.338 -8.416 1.978 444 3HG1 VAL 59 HG2 VAL 59 1.014 -7.766 1.011 445 1HG2 VAL 59 HG1 VAL 59 1.676 -4.980 0.114 446 2HG2 VAL 59 HG1 VAL 59 1.827 -6.647 -0.441 447 3HG2 VAL 59 HG1 VAL 59 3.260 -5.629 -0.305 448 H VAL 60 HN VAL 60 0.474 -5.337 4.474 449 HA VAL 60 HA VAL 60 2.475 -6.441 6.334 450 HB VAL 60 HB VAL 60 0.153 -5.216 7.612 451 1HG1 VAL 60 HG2 VAL 60 2.945 -4.331 8.084 452 2HG1 VAL 60 HG2 VAL 60 2.545 -6.012 8.441 453 3HG1 VAL 60 HG2 VAL 60 1.663 -4.706 9.237 454 1HG2 VAL 60 HG1 VAL 60 0.489 -3.723 5.607 455 2HG2 VAL 60 HG1 VAL 60 2.082 -3.341 6.260 456 3HG2 VAL 60 HG1 VAL 60 0.631 -2.933 7.177 457 H SER 61 HN SER 61 2.034 -8.587 6.090 458 HA SER 61 HA SER 61 -0.632 -9.447 6.955 459 1HB SER 61 HB2 SER 61 0.317 -11.318 5.027 460 2HB SER 61 HB1 SER 61 -1.121 -10.300 4.943 461 HG SER 61 HG SER 61 0.361 -8.614 4.182 462 H ASP 62 HN ASP 62 -0.638 -11.890 7.318 463 HA ASP 62 HA ASP 62 1.881 -12.662 8.651 464 1HB ASP 62 HB1 ASP 62 -0.669 -12.340 9.774 465 2HB ASP 62 HB2 ASP 62 -0.417 -14.077 9.654 466 H CYS 63 HN CYS 63 2.778 -14.564 8.087 467 HA CYS 63 HA CYS 63 1.223 -16.703 6.960 468 1HB CYS 63 HB2 CYS 63 2.201 -16.765 4.785 469 2HB CYS 63 HB1 CYS 63 1.617 -15.122 5.029 470 HG CYS 63 HG CYS 63 3.994 -14.997 4.003 471 HA PRO 64 HA PRO 64 4.652 -18.846 8.795 472 1HB PRO 64 HB1 PRO 64 3.969 -21.359 8.175 473 2HB PRO 64 HB2 PRO 64 3.021 -20.405 9.323 474 1HG PRO 64 HG2 PRO 64 2.481 -20.987 6.437 475 2HG PRO 64 HG1 PRO 64 1.354 -20.975 7.806 476 1HD PRO 64 HD2 PRO 64 1.651 -18.899 6.024 477 2HD PRO 64 HD1 PRO 64 1.048 -18.713 7.683 478 H GLN 65 HN GLN 65 4.582 -17.996 5.757 479 HA GLN 65 HA GLN 65 6.702 -19.850 4.896 480 1HB GLN 65 HB2 GLN 65 4.808 -18.240 3.171 481 2HB GLN 65 HB1 GLN 65 6.079 -19.302 2.579 482 1HG GLN 65 HG1 GLN 65 4.918 -21.183 3.767 483 2HG GLN 65 HG2 GLN 65 3.580 -20.071 4.059 484 1HE2 GLN 65 HE2 GLN 65 5.619 -21.273 1.421 485 2HE2 GLN 65 HE2 GLN 65 4.356 -21.346 0.245 486 H SER 66 HN SER 66 7.668 -18.401 2.749 487 HA SER 66 HA SER 66 9.026 -16.211 4.142 488 1HB SER 66 HB2 SER 66 10.126 -16.769 1.541 489 2HB SER 66 HB1 SER 66 10.879 -16.958 3.125 490 HG SER 66 HG SER 66 10.821 -18.987 2.426 491 H ILE 67 HN ILE 67 8.227 -16.752 0.713 492 HA ILE 67 HA ILE 67 7.752 -13.921 0.356 493 HB ILE 67 HB ILE 67 7.421 -16.138 -1.664 494 1HG1 ILE 67 HG1 ILE 67 9.707 -16.122 -0.771 495 2HG1 ILE 67 HG1 ILE 67 9.681 -15.550 -2.436 496 1HG2 ILE 67 HG2 ILE 67 6.287 -14.084 -2.282 497 2HG2 ILE 67 HG2 ILE 67 7.698 -14.339 -3.309 498 3HG2 ILE 67 HG2 ILE 67 7.763 -13.160 -1.998 499 1HD1 ILE 67 HD1 ILE 67 9.719 -13.709 -0.063 500 2HD1 ILE 67 HD1 ILE 67 9.993 -13.302 -1.757 501 3HD1 ILE 67 HD1 ILE 67 11.172 -14.281 -0.883 502 H ASN 68 HN ASN 68 5.824 -12.933 -0.051 503 HA ASN 68 HA ASN 68 3.430 -14.496 0.569 504 1HB ASN 68 HB2 ASN 68 4.304 -11.942 1.330 505 2HB ASN 68 HB1 ASN 68 2.962 -11.660 0.226 506 1HD2 ASN 68 HD2 ASN 68 3.157 -14.548 2.151 507 2HD2 ASN 68 HD2 ASN 68 1.872 -14.151 3.234 508 H ASN 69 HN ASN 69 1.400 -13.358 -0.582 509 HA ASN 69 HA ASN 69 1.634 -14.109 -3.319 510 1HB ASN 69 HB1 ASN 69 -0.413 -14.401 -1.862 511 2HB ASN 69 HB2 ASN 69 -0.689 -12.670 -2.032 512 1HD2 ASN 69 HD2 ASN 69 -2.528 -12.705 -3.191 513 2HD2 ASN 69 HD2 ASN 69 -2.668 -13.374 -4.777 514 H ILE 70 HN ILE 70 1.381 -11.008 -1.637 515 HA ILE 70 HA ILE 70 0.981 -9.455 -3.966 516 HB ILE 70 HB ILE 70 2.344 -8.175 -1.668 517 1HG1 ILE 70 HG1 ILE 70 0.877 -9.740 -0.509 518 2HG1 ILE 70 HG1 ILE 70 0.227 -8.107 -0.375 519 1HG2 ILE 70 HG2 ILE 70 -0.215 -7.198 -2.770 520 2HG2 ILE 70 HG2 ILE 70 1.155 -7.225 -3.880 521 3HG2 ILE 70 HG2 ILE 70 1.262 -6.320 -2.370 522 1HD1 ILE 70 HD1 ILE 70 -1.352 -8.624 -2.193 523 2HD1 ILE 70 HD1 ILE 70 -1.556 -9.657 -0.778 524 3HD1 ILE 70 HD1 ILE 70 -0.744 -10.280 -2.215 525 HA PRO 71 HA PRO 71 5.770 -8.529 -3.723 526 1HB PRO 71 HB1 PRO 71 7.251 -10.561 -2.640 527 2HB PRO 71 HB2 PRO 71 6.734 -9.133 -1.738 528 1HG PRO 71 HG2 PRO 71 5.501 -11.862 -1.833 529 2HG PRO 71 HG1 PRO 71 5.795 -10.817 -0.430 530 1HD PRO 71 HD2 PRO 71 3.364 -11.007 -1.533 531 2HD PRO 71 HD1 PRO 71 3.969 -9.460 -0.902 532 H LEU 72 HN LEU 72 4.682 -11.891 -3.940 533 HA LEU 72 HA LEU 72 6.508 -12.667 -5.963 534 1HB LEU 72 HB1 LEU 72 5.153 -14.159 -4.396 535 2HB LEU 72 HB2 LEU 72 3.803 -13.898 -5.482 536 HG LEU 72 HG LEU 72 6.028 -14.721 -7.052 537 1HD1 LEU 72 HD1 LEU 72 5.860 -17.119 -5.778 538 2HD1 LEU 72 HD1 LEU 72 5.876 -15.995 -4.420 539 3HD1 LEU 72 HD1 LEU 72 7.188 -15.972 -5.599 540 1HD2 LEU 72 HD2 LEU 72 3.818 -15.114 -7.779 541 2HD2 LEU 72 HD2 LEU 72 3.395 -15.948 -6.284 542 3HD2 LEU 72 HD2 LEU 72 4.502 -16.701 -7.431 543 H ASP 73 HN ASP 73 3.476 -10.993 -6.010 544 HA ASP 73 HA ASP 73 2.765 -11.516 -8.704 545 1HB ASP 73 HB2 ASP 73 1.853 -9.745 -6.546 546 2HB ASP 73 HB1 ASP 73 1.639 -9.071 -8.158 547 H ALA 74 HN ALA 74 4.152 -8.580 -7.222 548 HA ALA 74 HA ALA 74 4.690 -7.280 -9.660 549 1HB ALA 74 HB1 ALA 74 6.548 -6.335 -7.791 550 2HB ALA 74 HB2 ALA 74 5.111 -6.779 -6.867 551 3HB ALA 74 HB3 ALA 74 4.981 -5.636 -8.203 552 H ARG 75 HN ARG 75 6.595 -9.478 -7.678 553 HA ARG 75 HA ARG 75 9.066 -9.133 -8.980 554 1HB ARG 75 HB1 ARG 75 8.975 -10.231 -6.838 555 2HB ARG 75 HB2 ARG 75 7.916 -11.484 -7.469 556 1HG ARG 75 HG2 ARG 75 9.614 -12.653 -8.373 557 2HG ARG 75 HG1 ARG 75 10.511 -11.204 -8.831 558 1HD ARG 75 HD2 ARG 75 10.777 -10.986 -6.206 559 2HD ARG 75 HD1 ARG 75 10.531 -12.731 -6.281 560 HE ARG 75 HE ARG 75 12.435 -12.396 -8.115 561 1HH1 ARG 75 HH2 ARG 75 12.140 -11.125 -4.883 562 2HH1 ARG 75 HH2 ARG 75 13.850 -11.056 -4.616 563 1HH2 ARG 75 HH1 ARG 75 14.687 -12.308 -7.771 564 2HH2 ARG 75 HH1 ARG 75 15.297 -11.728 -6.257 565 H ASN 76 HN ASN 76 6.232 -11.012 -9.760 566 HA ASN 76 HA ASN 76 7.404 -12.749 -11.652 567 1HB ASN 76 HB2 ASN 76 5.133 -13.011 -10.584 568 2HB ASN 76 HB1 ASN 76 4.552 -11.746 -11.664 569 1HD2 ASN 76 HD2 ASN 76 5.491 -15.038 -11.362 570 2HD2 ASN 76 HD2 ASN 76 5.072 -15.532 -12.963 571 H HIS 77 HN HIS 77 5.169 -10.070 -12.392 572 HA HIS 77 HA HIS 77 5.854 -9.877 -15.090 573 1HB HIS 77 HB2 HIS 77 3.957 -8.731 -13.537 574 2HB HIS 77 HB1 HIS 77 5.048 -7.365 -13.749 575 HD2 HIS 77 HD2 HIS 77 3.003 -9.834 -16.040 576 HE1 HIS 77 HE1 HIS 77 3.660 -6.172 -18.060 577 HE2 HIS 77 HE2 HIS 77 2.525 -8.437 -18.175 578 H GLY 78 HN GLY 78 7.256 -8.367 -12.249 579 1HA GLY 78 HA1 GLY 78 9.525 -7.716 -12.129 580 2HA GLY 78 HA2 GLY 78 9.550 -7.569 -13.880 581 H TYR 79 HN TYR 79 8.378 -6.051 -10.909 582 HA TYR 79 HA TYR 79 7.732 -3.578 -12.256 583 1HB TYR 79 HB2 TYR 79 6.940 -4.732 -9.874 584 2HB TYR 79 HB1 TYR 79 8.028 -3.454 -9.341 585 HD1 TYR 79 HD1 TYR 79 4.871 -3.877 -9.158 586 HD2 TYR 79 HD2 TYR 79 7.441 -1.433 -11.508 587 HE1 TYR 79 HE1 TYR 79 3.063 -2.231 -9.415 588 HE2 TYR 79 HE2 TYR 79 5.641 0.220 -11.771 589 HH TYR 79 HH TYR 79 3.278 0.406 -11.630 590 H THR 80 HN THR 80 8.738 -1.800 -10.218 591 HA THR 80 HA THR 80 11.350 -1.342 -11.283 592 HB THR 80 HB THR 80 10.239 0.011 -8.837 593 HG1 THR 80 HG1 THR 80 8.981 -0.147 -11.125 594 1HG2 THR 80 HG2 THR 80 12.342 0.873 -9.255 595 2HG2 THR 80 HG2 THR 80 11.264 2.009 -10.068 596 3HG2 THR 80 HG2 THR 80 12.135 0.795 -11.005 597 H VAL 81 HN VAL 81 10.543 -1.371 -7.830 598 HA VAL 81 HA VAL 81 12.744 -3.269 -7.391 599 HB VAL 81 HB VAL 81 13.699 -2.052 -5.655 600 1HG1 VAL 81 HG1 VAL 81 13.830 -1.010 -8.027 601 2HG1 VAL 81 HG1 VAL 81 14.426 -0.092 -6.645 602 3HG1 VAL 81 HG1 VAL 81 12.842 0.273 -7.328 603 1HG2 VAL 81 HG2 VAL 81 12.674 -0.099 -4.584 604 2HG2 VAL 81 HG2 VAL 81 11.668 -1.538 -4.422 605 3HG2 VAL 81 HG2 VAL 81 11.247 -0.296 -5.601 606 H LEU 82 HN LEU 82 12.509 -4.670 -5.682 607 HA LEU 82 HA LEU 82 9.927 -4.662 -4.276 608 1HB LEU 82 HB2 LEU 82 11.042 -6.644 -6.085 609 2HB LEU 82 HB1 LEU 82 10.716 -7.333 -4.507 610 HG LEU 82 HG LEU 82 8.862 -7.587 -6.169 611 1HD1 LEU 82 HD1 LEU 82 7.191 -6.347 -4.438 612 2HD1 LEU 82 HD1 LEU 82 8.652 -6.481 -3.460 613 3HD1 LEU 82 HD1 LEU 82 7.926 -7.926 -4.161 614 1HD2 LEU 82 HD2 LEU 82 8.779 -5.646 -7.415 615 2HD2 LEU 82 HD2 LEU 82 8.935 -4.605 -5.999 616 3HD2 LEU 82 HD2 LEU 82 7.416 -5.442 -6.315 617 H ASP 83 HN ASP 83 10.367 -4.341 -2.175 618 HA ASP 83 HA ASP 83 12.628 -5.818 -0.999 619 1HB ASP 83 HB1 ASP 83 11.803 -2.956 -0.521 620 2HB ASP 83 HB2 ASP 83 12.828 -3.843 0.604 621 H ILE 84 HN ILE 84 12.412 -6.222 1.329 622 HA ILE 84 HA ILE 84 9.662 -6.135 2.325 623 HB ILE 84 HB ILE 84 9.626 -8.433 2.978 624 1HG1 ILE 84 HG1 ILE 84 12.090 -8.621 3.410 625 2HG1 ILE 84 HG1 ILE 84 11.395 -10.003 2.570 626 1HG2 ILE 84 HG2 ILE 84 8.787 -8.050 0.787 627 2HG2 ILE 84 HG2 ILE 84 9.708 -9.554 0.754 628 3HG2 ILE 84 HG2 ILE 84 10.412 -8.075 0.098 629 1HD1 ILE 84 HD1 ILE 84 13.620 -9.239 1.733 630 2HD1 ILE 84 HD1 ILE 84 12.827 -7.772 1.162 631 3HD1 ILE 84 HD1 ILE 84 12.354 -9.342 0.511 632 H GLN 85 HN GLN 85 9.745 -7.322 4.622 633 HA GLN 85 HA GLN 85 12.137 -6.757 6.127 634 1HB GLN 85 HB2 GLN 85 9.739 -4.995 6.229 635 2HB GLN 85 HB1 GLN 85 10.530 -5.373 7.753 636 1HG GLN 85 HG1 GLN 85 12.637 -4.698 6.140 637 2HG GLN 85 HG2 GLN 85 11.364 -3.606 5.596 638 1HE2 GLN 85 HE2 GLN 85 13.532 -4.430 8.130 639 2HE2 GLN 85 HE2 GLN 85 13.175 -3.095 9.168 640 H GLN 86 HN GLN 86 11.283 -6.929 8.663 641 HA GLN 86 HA GLN 86 9.454 -9.218 8.788 642 1HB GLN 86 HB1 GLN 86 12.099 -9.666 8.853 643 2HB GLN 86 HB2 GLN 86 11.835 -9.320 10.557 644 1HG GLN 86 HG2 GLN 86 9.999 -11.239 9.242 645 2HG GLN 86 HG1 GLN 86 11.653 -11.764 9.557 646 1HE2 GLN 86 HE2 GLN 86 10.137 -13.267 10.851 647 2HE2 GLN 86 HE2 GLN 86 9.903 -12.828 12.505 648 H ASP 87 HN ASP 87 7.872 -8.732 10.132 649 HA ASP 87 HA ASP 87 8.422 -6.923 12.386 650 1HB ASP 87 HB1 ASP 87 6.041 -7.393 10.659 651 2HB ASP 87 HB2 ASP 87 5.748 -6.969 12.343 652 H GLY 88 HN GLY 88 6.507 -7.409 14.145 653 1HA GLY 88 HA1 GLY 88 6.454 -10.304 14.633 654 2HA GLY 88 HA2 GLY 88 7.147 -9.257 15.859 655 HA PRO 89 HA PRO 89 5.375 -11.585 14.815 656 1HB PRO 89 HB1 PRO 89 3.198 -13.104 15.086 657 2HB PRO 89 HB2 PRO 89 4.135 -12.608 16.501 658 1HG PRO 89 HG2 PRO 89 1.488 -11.668 15.564 659 2HG PRO 89 HG1 PRO 89 2.161 -11.682 17.201 660 1HD PRO 89 HD1 PRO 89 2.070 -9.492 15.333 661 2HD PRO 89 HD2 PRO 89 2.716 -9.498 16.986 662 H THR 90 HN THR 90 5.153 -9.948 12.816 663 HA THR 90 HA THR 90 3.532 -11.361 10.845 664 HB THR 90 HB THR 90 2.873 -9.008 9.935 665 HG1 THR 90 HG1 THR 90 3.794 -7.589 11.246 666 1HG2 THR 90 HG2 THR 90 1.318 -9.443 12.378 667 2HG2 THR 90 HG2 THR 90 1.460 -10.839 11.310 668 3HG2 THR 90 HG2 THR 90 0.797 -9.324 10.697 669 H ILE 91 HN ILE 91 3.904 -9.923 8.639 670 HA ILE 91 HA ILE 91 6.768 -9.320 8.444 671 HB ILE 91 HB ILE 91 6.595 -11.608 7.721 672 1HG1 ILE 91 HG1 ILE 91 6.711 -10.387 5.045 673 2HG1 ILE 91 HG1 ILE 91 7.712 -9.589 6.253 674 1HG2 ILE 91 HG2 ILE 91 4.435 -10.642 5.855 675 2HG2 ILE 91 HG2 ILE 91 4.240 -11.729 7.231 676 3HG2 ILE 91 HG2 ILE 91 5.157 -12.250 5.818 677 1HD1 ILE 91 HD1 ILE 91 7.844 -12.548 5.961 678 2HD1 ILE 91 HD1 ILE 91 9.070 -11.417 6.531 679 3HD1 ILE 91 HD1 ILE 91 8.687 -11.510 4.811 680 H ARG 92 HN ARG 92 7.331 -7.914 6.693 681 HA ARG 92 HA ARG 92 5.034 -6.495 5.542 682 1HB ARG 92 HB2 ARG 92 5.881 -5.043 7.165 683 2HB ARG 92 HB1 ARG 92 7.547 -5.506 6.851 684 1HG ARG 92 HG1 ARG 92 7.162 -3.271 6.066 685 2HG ARG 92 HG2 ARG 92 7.439 -4.348 4.694 686 1HD ARG 92 HD1 ARG 92 5.604 -3.261 3.908 687 2HD ARG 92 HD2 ARG 92 4.802 -4.547 4.814 688 HE ARG 92 HE ARG 92 3.931 -2.944 6.176 689 1HH1 ARG 92 HH2 ARG 92 6.795 -1.645 4.669 690 2HH1 ARG 92 HH2 ARG 92 6.598 -0.070 5.360 691 1HH2 ARG 92 HH1 ARG 92 3.667 -0.873 7.087 692 2HH2 ARG 92 HH1 ARG 92 4.821 0.369 6.734 693 H TYR 93 HN TYR 93 5.167 -5.787 3.442 694 HA TYR 93 HA TYR 93 7.612 -6.313 1.912 695 1HB TYR 93 HB1 TYR 93 4.889 -7.031 0.824 696 2HB TYR 93 HB2 TYR 93 6.463 -7.438 0.156 697 HD1 TYR 93 HD1 TYR 93 4.190 -8.134 3.009 698 HD2 TYR 93 HD2 TYR 93 7.495 -9.466 0.688 699 HE1 TYR 93 HE1 TYR 93 4.099 -10.315 4.141 700 HE2 TYR 93 HE2 TYR 93 7.413 -11.651 1.810 701 HH TYR 93 HH TYR 93 6.475 -12.440 4.230 702 H LEU 94 HN LEU 94 8.169 -4.425 0.973 703 HA LEU 94 HA LEU 94 6.005 -2.722 -0.070 704 1HB LEU 94 HB2 LEU 94 7.398 -0.742 0.624 705 2HB LEU 94 HB1 LEU 94 6.639 -1.636 1.928 706 HG LEU 94 HG LEU 94 9.433 -2.363 1.206 707 1HD1 LEU 94 HD1 LEU 94 9.855 -0.463 3.095 708 2HD1 LEU 94 HD1 LEU 94 8.592 0.294 2.124 709 3HD1 LEU 94 HD1 LEU 94 10.096 -0.225 1.364 710 1HD2 LEU 94 HD2 LEU 94 9.338 -3.415 3.158 711 2HD2 LEU 94 HD2 LEU 94 7.618 -3.023 3.205 712 3HD2 LEU 94 HD2 LEU 94 8.789 -1.960 3.990 713 H ILE 95 HN ILE 95 6.435 -1.545 -1.901 714 HA ILE 95 HA ILE 95 9.026 -2.012 -3.210 715 HB ILE 95 HB ILE 95 8.140 -2.766 -5.166 716 1HG1 ILE 95 HG1 ILE 95 5.491 -2.356 -5.520 717 2HG1 ILE 95 HG1 ILE 95 5.868 -0.959 -4.514 718 1HG2 ILE 95 HG2 ILE 95 7.010 -4.611 -4.594 719 2HG2 ILE 95 HG2 ILE 95 5.689 -3.700 -3.863 720 3HG2 ILE 95 HG2 ILE 95 7.166 -4.000 -2.947 721 1HD1 ILE 95 HD1 ILE 95 7.871 -0.844 -6.326 722 2HD1 ILE 95 HD1 ILE 95 6.335 0.022 -6.462 723 3HD1 ILE 95 HD1 ILE 95 6.562 -1.519 -7.299 724 H GLN 96 HN GLN 96 9.467 -0.432 -4.970 725 HA GLN 96 HA GLN 96 7.935 2.034 -4.852 726 1HB GLN 96 HB1 GLN 96 9.557 3.426 -3.993 727 2HB GLN 96 HB2 GLN 96 9.833 1.972 -3.047 728 1HG GLN 96 HG1 GLN 96 11.926 1.881 -3.737 729 2HG GLN 96 HG2 GLN 96 11.404 1.836 -5.420 730 1HE2 GLN 96 HE2 GLN 96 13.731 3.028 -4.895 731 2HE2 GLN 96 HE2 GLN 96 13.600 4.745 -5.036 732 H LYS 97 HN LYS 97 8.422 3.509 -6.572 733 HA LYS 97 HA LYS 97 9.956 2.290 -8.773 734 1HB LYS 97 HB1 LYS 97 7.624 2.081 -9.311 735 2HB LYS 97 HB2 LYS 97 7.315 3.754 -8.869 736 1HG LYS 97 HG2 LYS 97 8.005 4.547 -10.853 737 2HG LYS 97 HG1 LYS 97 9.312 3.370 -10.989 738 1HD LYS 97 HD2 LYS 97 7.041 1.821 -11.196 739 2HD LYS 97 HD1 LYS 97 6.611 3.292 -12.072 740 1HE LYS 97 HE1 LYS 97 8.343 3.034 -13.605 741 2HE LYS 97 HE2 LYS 97 9.232 1.929 -12.558 742 1HZ LYS 97 HZ1 LYS 97 6.746 1.354 -14.070 743 2HZ LYS 97 HZ2 LYS 97 7.395 0.312 -12.907 744 3HZ LYS 97 HZ3 LYS 97 8.274 0.668 -14.307 Start of MODEL 8 1 1H MET 1 HT1 MET 1 28.814 34.424 -0.383 2 2H MET 1 HT2 MET 1 30.144 35.507 -0.350 3 3H MET 1 HT3 MET 1 28.574 36.063 0.061 4 HA MET 1 HA MET 1 28.783 34.136 1.793 5 1HB MET 1 HB2 MET 1 31.598 35.163 1.367 6 2HB MET 1 HB1 MET 1 31.081 34.087 2.657 7 1HG MET 1 HG2 MET 1 30.376 33.055 0.048 8 2HG MET 1 HG1 MET 1 32.106 33.357 0.197 9 1HE MET 1 HE1 MET 1 33.537 30.674 1.941 10 2HE MET 1 HE2 MET 1 33.302 32.042 3.029 11 3HE MET 1 HE3 MET 1 33.634 32.321 1.320 12 H GLY 2 HN GLY 2 30.027 37.332 0.999 13 1HA GLY 2 HA1 GLY 2 29.913 38.339 3.673 14 2HA GLY 2 HA2 GLY 2 30.091 39.294 2.209 15 H SER 3 HN SER 3 28.396 40.442 1.495 16 HA SER 3 HA SER 3 25.783 39.933 2.763 17 1HB SER 3 HB1 SER 3 27.377 42.381 2.562 18 2HB SER 3 HB2 SER 3 25.720 42.590 1.995 19 HG SER 3 HG SER 3 26.148 42.903 4.326 20 H SER 4 HN SER 4 26.845 38.901 0.226 21 HA SER 4 HA SER 4 25.759 40.308 -1.963 22 1HB SER 4 HB1 SER 4 25.730 37.642 -2.725 23 2HB SER 4 HB2 SER 4 27.085 38.755 -2.912 24 HG SER 4 HG SER 4 26.727 37.416 -0.473 25 H HIS 5 HN HIS 5 23.665 40.894 -1.874 26 HA HIS 5 HA HIS 5 21.655 38.903 -1.121 27 1HB HIS 5 HB2 HIS 5 21.846 41.809 -0.973 28 2HB HIS 5 HB1 HIS 5 20.325 41.280 -1.684 29 HD2 HIS 5 HD2 HIS 5 22.350 40.347 1.587 30 HE1 HIS 5 HE1 HIS 5 18.188 40.326 2.361 31 HE2 HIS 5 HE2 HIS 5 20.493 40.014 3.370 32 H HIS 6 HN HIS 6 20.884 37.690 -2.713 33 HA HIS 6 HA HIS 6 20.902 38.676 -5.451 34 1HB HIS 6 HB1 HIS 6 20.908 36.060 -4.154 35 2HB HIS 6 HB2 HIS 6 19.772 36.146 -5.497 36 HD2 HIS 6 HD2 HIS 6 22.999 34.762 -5.226 37 HE1 HIS 6 HE1 HIS 6 23.357 37.133 -8.714 38 HE2 HIS 6 HE2 HIS 6 24.385 35.246 -7.366 39 H HIS 7 HN HIS 7 19.227 40.306 -4.765 40 HA HIS 7 HA HIS 7 16.526 39.188 -4.610 41 1HB HIS 7 HB2 HIS 7 17.804 41.638 -3.684 42 2HB HIS 7 HB1 HIS 7 16.300 41.958 -4.541 43 HD2 HIS 7 HD2 HIS 7 17.499 39.865 -1.430 44 HE1 HIS 7 HE1 HIS 7 13.381 40.779 -1.068 45 HE2 HIS 7 HE2 HIS 7 15.388 39.728 0.072 46 H HIS 8 HN HIS 8 16.230 38.497 -6.730 47 HA HIS 8 HA HIS 8 16.611 40.343 -8.922 48 1HB HIS 8 HB2 HIS 8 16.237 37.486 -8.612 49 2HB HIS 8 HB1 HIS 8 15.179 38.128 -9.863 50 HD2 HIS 8 HD2 HIS 8 16.350 38.547 -12.249 51 HE1 HIS 8 HE1 HIS 8 20.353 38.164 -10.927 52 HE2 HIS 8 HE2 HIS 8 18.848 38.443 -12.949 53 H HIS 9 HN HIS 9 13.807 38.300 -9.003 54 HA HIS 9 HA HIS 9 12.030 40.567 -8.497 55 1HB HIS 9 HB2 HIS 9 12.590 39.418 -11.103 56 2HB HIS 9 HB1 HIS 9 10.883 39.280 -10.697 57 HD2 HIS 9 HD2 HIS 9 11.931 41.349 -13.030 58 HE1 HIS 9 HE1 HIS 9 10.887 44.285 -10.165 59 HE2 HIS 9 HE2 HIS 9 11.383 43.852 -12.614 60 H HIS 10 HN HIS 10 9.660 39.375 -9.311 61 HA HIS 10 HA HIS 10 9.398 37.264 -7.293 62 1HB HIS 10 HB1 HIS 10 7.958 39.335 -7.180 63 2HB HIS 10 HB2 HIS 10 7.187 38.801 -8.671 64 HD2 HIS 10 HD2 HIS 10 4.886 37.583 -8.137 65 HE1 HIS 10 HE1 HIS 10 5.989 35.872 -4.426 66 HE2 HIS 10 HE2 HIS 10 4.125 36.128 -6.128 67 H SER 11 HN SER 11 8.328 35.319 -7.735 68 HA SER 11 HA SER 11 8.629 34.398 -10.457 69 1HB SER 11 HB1 SER 11 7.661 32.232 -9.294 70 2HB SER 11 HB2 SER 11 9.324 32.741 -8.997 71 HG SER 11 HG SER 11 7.072 32.944 -7.330 72 H SER 12 HN SER 12 7.078 34.482 -11.933 73 HA SER 12 HA SER 12 4.278 34.594 -11.021 74 1HB SER 12 HB1 SER 12 5.606 36.470 -12.518 75 2HB SER 12 HB2 SER 12 4.823 35.500 -13.765 76 HG SER 12 HG SER 12 3.709 37.382 -12.418 77 H GLY 13 HN GLY 13 5.588 32.130 -11.341 78 1HA GLY 13 HA1 GLY 13 5.210 30.962 -13.882 79 2HA GLY 13 HA2 GLY 13 5.346 30.089 -12.364 80 H LEU 14 HN LEU 14 3.667 29.286 -14.457 81 HA LEU 14 HA LEU 14 0.969 30.064 -13.668 82 1HB LEU 14 HB2 LEU 14 0.270 28.656 -15.589 83 2HB LEU 14 HB1 LEU 14 1.352 29.962 -16.030 84 HG LEU 14 HG LEU 14 2.895 27.606 -15.484 85 1HD1 LEU 14 HD1 LEU 14 2.039 26.277 -17.437 86 2HD1 LEU 14 HD1 LEU 14 0.581 27.269 -17.375 87 3HD1 LEU 14 HD1 LEU 14 1.017 26.254 -15.999 88 1HD2 LEU 14 HD2 LEU 14 3.968 29.036 -16.872 89 2HD2 LEU 14 HD2 LEU 14 2.481 29.566 -17.658 90 3HD2 LEU 14 HD2 LEU 14 3.208 28.021 -18.098 91 H VAL 15 HN VAL 15 3.148 28.009 -12.472 92 HA VAL 15 HA VAL 15 1.193 25.881 -11.914 93 HB VAL 15 HB VAL 15 3.136 24.942 -12.928 94 1HG1 VAL 15 HG2 VAL 15 4.588 26.783 -11.104 95 2HG1 VAL 15 HG2 VAL 15 4.888 26.395 -12.799 96 3HG1 VAL 15 HG2 VAL 15 5.361 25.257 -11.537 97 1HG2 VAL 15 HG1 VAL 15 3.726 23.312 -11.356 98 2HG2 VAL 15 HG1 VAL 15 2.130 23.860 -10.843 99 3HG2 VAL 15 HG1 VAL 15 3.571 24.433 -10.003 100 HA PRO 16 HA PRO 16 1.006 27.688 -7.824 101 1HB PRO 16 HB1 PRO 16 -0.554 25.755 -6.700 102 2HB PRO 16 HB2 PRO 16 -1.188 27.044 -7.729 103 1HG PRO 16 HG2 PRO 16 -0.540 24.206 -8.426 104 2HG PRO 16 HG1 PRO 16 -1.937 25.188 -8.907 105 1HD PRO 16 HD1 PRO 16 0.159 24.757 -10.555 106 2HD PRO 16 HD2 PRO 16 -0.761 26.274 -10.569 107 H ARG 17 HN ARG 17 0.972 24.137 -7.550 108 HA ARG 17 HA ARG 17 3.294 24.352 -5.753 109 1HB ARG 17 HB1 ARG 17 1.347 22.052 -5.817 110 2HB ARG 17 HB2 ARG 17 2.496 22.468 -4.553 111 1HG ARG 17 HG2 ARG 17 0.879 24.708 -4.765 112 2HG ARG 17 HG1 ARG 17 -0.229 23.344 -4.933 113 1HD ARG 17 HD1 ARG 17 1.603 24.011 -2.652 114 2HD ARG 17 HD2 ARG 17 -0.141 23.754 -2.630 115 HE ARG 17 HE ARG 17 0.743 21.352 -3.397 116 1HH1 ARG 17 HH1 ARG 17 1.762 23.465 -0.820 117 2HH1 ARG 17 HH1 ARG 17 2.269 22.171 0.214 118 1HH2 ARG 17 HH2 ARG 17 1.411 19.642 -2.042 119 2HH2 ARG 17 HH2 ARG 17 2.070 20.000 -0.481 120 H GLY 18 HN GLY 18 1.992 21.407 -7.177 121 1HA GLY 18 HA2 GLY 18 4.347 21.205 -8.922 122 2HA GLY 18 HA1 GLY 18 4.042 19.925 -7.756 123 H SER 19 HN SER 19 3.535 20.937 -10.891 124 HA SER 19 HA SER 19 1.074 19.395 -11.239 125 1HB SER 19 HB2 SER 19 1.064 20.311 -13.527 126 2HB SER 19 HB1 SER 19 1.183 21.596 -12.325 127 HG SER 19 HG SER 19 2.727 22.084 -13.774 128 H HIS 20 HN HIS 20 3.887 18.339 -10.718 129 HA HIS 20 HA HIS 20 4.350 16.784 -13.145 130 1HB HIS 20 HB2 HIS 20 6.008 17.776 -11.049 131 2HB HIS 20 HB1 HIS 20 6.110 16.018 -11.032 132 HD2 HIS 20 HD2 HIS 20 8.806 17.193 -11.905 133 HE1 HIS 20 HE1 HIS 20 7.485 16.829 -15.911 134 HE2 HIS 20 HE2 HIS 20 9.503 17.135 -14.405 135 H MET 21 HN MET 21 4.177 16.052 -9.653 136 HA MET 21 HA MET 21 3.419 13.318 -10.219 137 1HB MET 21 HB1 MET 21 3.389 14.554 -7.482 138 2HB MET 21 HB2 MET 21 3.734 12.892 -7.939 139 1HG MET 21 HG2 MET 21 5.644 14.666 -9.139 140 2HG MET 21 HG1 MET 21 5.561 14.934 -7.399 141 1HE MET 21 HE1 MET 21 6.331 12.532 -10.285 142 2HE MET 21 HE2 MET 21 7.650 11.612 -9.560 143 3HE MET 21 HE3 MET 21 7.783 13.363 -9.727 144 H LYS 22 HN LYS 22 1.435 14.022 -11.373 145 HA LYS 22 HA LYS 22 -0.788 14.331 -9.466 146 1HB LYS 22 HB1 LYS 22 -0.114 16.324 -11.110 147 2HB LYS 22 HB2 LYS 22 -1.098 15.392 -12.230 148 1HG LYS 22 HG2 LYS 22 -2.856 16.449 -11.388 149 2HG LYS 22 HG1 LYS 22 -2.623 15.492 -9.922 150 1HD LYS 22 HD1 LYS 22 -0.886 17.375 -9.347 151 2HD LYS 22 HD2 LYS 22 -1.845 18.314 -10.494 152 1HE LYS 22 HE2 LYS 22 -3.273 18.743 -8.849 153 2HE LYS 22 HE1 LYS 22 -3.703 17.032 -8.848 154 1HZ LYS 22 HZ1 LYS 22 -2.055 18.527 -6.987 155 2HZ LYS 22 HZ2 LYS 22 -1.475 16.991 -7.393 156 3HZ LYS 22 HZ3 LYS 22 -3.020 17.162 -6.727 157 H ASN 23 HN ASN 23 0.669 12.394 -11.703 158 HA ASN 23 HA ASN 23 -1.624 11.342 -13.052 159 1HB ASN 23 HB2 ASN 23 1.026 9.941 -12.704 160 2HB ASN 23 HB1 ASN 23 -0.136 9.756 -14.014 161 1HD2 ASN 23 HD2 ASN 23 2.780 10.914 -13.380 162 2HD2 ASN 23 HD2 ASN 23 2.856 12.240 -14.484 163 H ILE 24 HN ILE 24 -1.752 8.753 -12.920 164 HA ILE 24 HA ILE 24 -2.883 8.208 -10.360 165 HB ILE 24 HB ILE 24 -2.301 6.077 -12.391 166 1HG1 ILE 24 HG1 ILE 24 -4.874 7.040 -12.919 167 2HG1 ILE 24 HG1 ILE 24 -3.875 8.484 -12.793 168 1HG2 ILE 24 HG2 ILE 24 -3.276 5.494 -10.187 169 2HG2 ILE 24 HG2 ILE 24 -4.319 5.083 -11.548 170 3HG2 ILE 24 HG2 ILE 24 -4.665 6.511 -10.572 171 1HD1 ILE 24 HD1 ILE 24 -2.962 8.119 -14.777 172 2HD1 ILE 24 HD1 ILE 24 -4.184 6.870 -15.011 173 3HD1 ILE 24 HD1 ILE 24 -2.595 6.441 -14.380 174 H VAL 25 HN VAL 25 -1.469 8.080 -8.698 175 HA VAL 25 HA VAL 25 1.001 6.565 -8.990 176 HB VAL 25 HB VAL 25 1.311 7.278 -6.544 177 1HG1 VAL 25 HG1 VAL 25 1.252 9.811 -7.912 178 2HG1 VAL 25 HG1 VAL 25 1.847 8.537 -8.976 179 3HG1 VAL 25 HG1 VAL 25 2.634 8.829 -7.425 180 1HG2 VAL 25 HG2 VAL 25 -1.204 8.702 -7.263 181 2HG2 VAL 25 HG2 VAL 25 -0.038 9.507 -6.213 182 3HG2 VAL 25 HG2 VAL 25 -0.726 7.954 -5.739 183 HA PRO 26 HA PRO 26 -0.751 2.778 -7.463 184 1HB PRO 26 HB1 PRO 26 2.008 2.312 -6.460 185 2HB PRO 26 HB2 PRO 26 0.997 1.296 -7.493 186 1HG PRO 26 HG2 PRO 26 3.034 2.663 -8.519 187 2HG PRO 26 HG1 PRO 26 1.507 2.512 -9.406 188 1HD PRO 26 HD1 PRO 26 2.572 4.833 -7.845 189 2HD PRO 26 HD2 PRO 26 1.688 4.820 -9.385 190 H ASP 27 HN ASP 27 1.875 3.085 -5.166 191 HA ASP 27 HA ASP 27 1.839 2.937 -2.897 192 1HB ASP 27 HB1 ASP 27 0.863 4.929 -1.793 193 2HB ASP 27 HB2 ASP 27 1.858 5.339 -3.187 194 H TYR 28 HN TYR 28 0.507 0.913 -3.360 195 HA TYR 28 HA TYR 28 -2.203 1.173 -2.236 196 1HB TYR 28 HB1 TYR 28 -1.123 -0.387 -4.360 197 2HB TYR 28 HB2 TYR 28 -1.671 -1.493 -3.103 198 HD1 TYR 28 HD1 TYR 28 -2.656 0.514 -5.865 199 HD2 TYR 28 HD2 TYR 28 -4.069 -1.138 -2.209 200 HE1 TYR 28 HE1 TYR 28 -4.973 0.786 -6.645 201 HE2 TYR 28 HE2 TYR 28 -6.390 -0.873 -2.979 202 HH TYR 28 HH TYR 28 -7.639 -0.637 -5.018 203 H ARG 29 HN ARG 29 -2.920 -0.501 -0.700 204 HA ARG 29 HA ARG 29 -0.692 -1.499 0.942 205 1HB ARG 29 HB2 ARG 29 -2.096 -0.977 2.953 206 2HB ARG 29 HB1 ARG 29 -1.516 0.433 2.078 207 1HG ARG 29 HG2 ARG 29 -3.800 0.366 0.890 208 2HG ARG 29 HG1 ARG 29 -4.287 -0.684 2.223 209 1HD ARG 29 HD1 ARG 29 -3.227 1.217 3.689 210 2HD ARG 29 HD2 ARG 29 -3.522 2.198 2.254 211 HE ARG 29 HE ARG 29 -5.848 1.830 2.521 212 1HH1 ARG 29 HH1 ARG 29 -3.918 0.508 5.105 213 2HH1 ARG 29 HH1 ARG 29 -5.248 0.386 6.208 214 1HH2 ARG 29 HH2 ARG 29 -7.603 1.672 3.967 215 2HH2 ARG 29 HH2 ARG 29 -7.343 1.048 5.560 216 H LEU 30 HN LEU 30 -0.787 -3.542 1.518 217 HA LEU 30 HA LEU 30 -3.355 -4.972 1.336 218 1HB LEU 30 HB1 LEU 30 -1.433 -5.440 -0.419 219 2HB LEU 30 HB2 LEU 30 -0.750 -6.380 0.893 220 HG LEU 30 HG LEU 30 -2.117 -7.679 -0.785 221 1HD1 LEU 30 HD2 LEU 30 -1.692 -8.775 1.239 222 2HD1 LEU 30 HD2 LEU 30 -3.443 -8.879 1.048 223 3HD1 LEU 30 HD2 LEU 30 -2.746 -7.694 2.153 224 1HD2 LEU 30 HD1 LEU 30 -4.207 -5.847 0.287 225 2HD2 LEU 30 HD1 LEU 30 -4.659 -7.507 -0.100 226 3HD2 LEU 30 HD1 LEU 30 -3.973 -6.466 -1.347 227 H ASP 31 HN ASP 31 -3.474 -4.338 3.624 228 HA ASP 31 HA ASP 31 -1.592 -5.723 5.373 229 1HB ASP 31 HB1 ASP 31 -2.902 -4.331 7.145 230 2HB ASP 31 HB2 ASP 31 -1.771 -3.513 6.071 231 H MET 32 HN MET 32 -2.696 -7.772 4.658 232 HA MET 32 HA MET 32 -4.761 -8.416 6.613 233 1HB MET 32 HB1 MET 32 -5.030 -8.644 3.663 234 2HB MET 32 HB2 MET 32 -5.663 -9.970 4.629 235 1HG MET 32 HG1 MET 32 -7.245 -8.628 5.666 236 2HG MET 32 HG2 MET 32 -6.392 -7.141 5.260 237 1HE MET 32 HE1 MET 32 -7.686 -5.629 4.030 238 2HE MET 32 HE2 MET 32 -9.166 -6.433 4.555 239 3HE MET 32 HE3 MET 32 -8.954 -5.994 2.860 240 H VAL 33 HN VAL 33 -4.344 -10.814 4.297 241 HA VAL 33 HA VAL 33 -2.124 -12.073 5.730 242 HB VAL 33 HB VAL 33 -4.307 -12.922 6.624 243 1HG1 VAL 33 HG2 VAL 33 -5.058 -12.996 3.976 244 2HG1 VAL 33 HG2 VAL 33 -5.927 -13.729 5.324 245 3HG1 VAL 33 HG2 VAL 33 -4.796 -14.694 4.375 246 1HG2 VAL 33 HG1 VAL 33 -3.670 -15.323 6.440 247 2HG2 VAL 33 HG1 VAL 33 -2.338 -14.258 6.888 248 3HG2 VAL 33 HG1 VAL 33 -2.466 -14.860 5.236 249 H GLY 34 HN GLY 34 -0.825 -13.394 4.481 250 1HA GLY 34 HA2 GLY 34 -0.864 -12.940 1.667 251 2HA GLY 34 HA1 GLY 34 0.228 -14.014 2.527 252 H GLU 35 HN GLU 35 -2.315 -13.853 0.355 253 HA GLU 35 HA GLU 35 -2.875 -16.722 0.720 254 1HB GLU 35 HB1 GLU 35 -5.012 -16.119 1.043 255 2HB GLU 35 HB2 GLU 35 -4.697 -14.464 0.549 256 1HG GLU 35 HG2 GLU 35 -4.920 -15.148 -1.803 257 2HG GLU 35 HG1 GLU 35 -5.302 -16.784 -1.271 258 HA PRO 36 HA PRO 36 -1.260 -17.279 -3.362 259 1HB PRO 36 HB2 PRO 36 -3.112 -19.562 -3.600 260 2HB PRO 36 HB1 PRO 36 -1.347 -19.536 -3.656 261 1HG PRO 36 HG2 PRO 36 -2.664 -20.538 -1.549 262 2HG PRO 36 HG1 PRO 36 -1.141 -19.651 -1.356 263 1HD PRO 36 HD2 PRO 36 -3.950 -18.718 -0.896 264 2HD PRO 36 HD1 PRO 36 -2.489 -18.408 0.064 265 H CYS 37 HN CYS 37 -4.767 -17.679 -2.953 266 HA CYS 37 HA CYS 37 -5.559 -17.439 -5.595 267 1HB CYS 37 HB1 CYS 37 -7.027 -18.026 -3.644 268 2HB CYS 37 HB2 CYS 37 -7.055 -16.318 -3.219 269 HG CYS 37 HG CYS 37 -9.053 -16.302 -4.648 270 HA PRO 38 HA PRO 38 -4.289 -13.286 -6.613 271 1HB PRO 38 HB2 PRO 38 -6.226 -13.585 -8.826 272 2HB PRO 38 HB1 PRO 38 -4.496 -13.238 -8.884 273 1HG PRO 38 HG2 PRO 38 -5.459 -15.630 -9.599 274 2HG PRO 38 HG1 PRO 38 -3.908 -15.471 -8.754 275 1HD PRO 38 HD1 PRO 38 -6.578 -16.294 -7.682 276 2HD PRO 38 HD2 PRO 38 -4.965 -16.939 -7.309 277 H TYR 39 HN TYR 39 -5.364 -12.337 -4.800 278 HA TYR 39 HA TYR 39 -7.802 -10.921 -5.572 279 1HB TYR 39 HB1 TYR 39 -7.891 -13.049 -3.799 280 2HB TYR 39 HB2 TYR 39 -7.837 -11.639 -2.745 281 HD1 TYR 39 HD1 TYR 39 -10.002 -13.834 -4.239 282 HD2 TYR 39 HD2 TYR 39 -9.455 -9.646 -3.729 283 HE1 TYR 39 HE1 TYR 39 -12.408 -13.483 -4.599 284 HE2 TYR 39 HE2 TYR 39 -11.861 -9.282 -4.087 285 HH TYR 39 HH TYR 39 -14.122 -11.603 -3.871 286 HA PRO 40 HA PRO 40 -5.592 -8.459 -2.029 287 1HB PRO 40 HB2 PRO 40 -3.121 -9.324 -1.280 288 2HB PRO 40 HB1 PRO 40 -4.608 -9.816 -0.466 289 1HG PRO 40 HG2 PRO 40 -3.003 -11.272 -2.530 290 2HG PRO 40 HG1 PRO 40 -3.760 -11.898 -1.052 291 1HD PRO 40 HD2 PRO 40 -4.872 -12.220 -3.490 292 2HD PRO 40 HD1 PRO 40 -5.849 -12.017 -2.021 293 H ALA 41 HN ALA 41 -2.692 -9.880 -3.476 294 HA ALA 41 HA ALA 41 -1.486 -7.515 -4.242 295 1HB ALA 41 HB1 ALA 41 0.174 -8.890 -4.751 296 2HB ALA 41 HB2 ALA 41 -0.764 -9.627 -6.052 297 3HB ALA 41 HB3 ALA 41 -0.905 -10.241 -4.405 298 H VAL 42 HN VAL 42 -4.340 -8.534 -5.520 299 HA VAL 42 HA VAL 42 -4.158 -8.381 -8.263 300 HB VAL 42 HB VAL 42 -6.316 -7.477 -6.377 301 1HG1 VAL 42 HG1 VAL 42 -6.881 -6.022 -8.048 302 2HG1 VAL 42 HG1 VAL 42 -7.693 -7.475 -8.630 303 3HG1 VAL 42 HG1 VAL 42 -6.135 -7.003 -9.309 304 1HG2 VAL 42 HG2 VAL 42 -6.045 -9.850 -6.587 305 2HG2 VAL 42 HG2 VAL 42 -6.051 -9.742 -8.347 306 3HG2 VAL 42 HG2 VAL 42 -7.516 -9.379 -7.436 307 H ALA 43 HN ALA 43 -3.950 -5.813 -5.898 308 HA ALA 43 HA ALA 43 -4.155 -3.655 -7.771 309 1HB ALA 43 HB1 ALA 43 -2.717 -3.018 -5.336 310 2HB ALA 43 HB2 ALA 43 -4.224 -3.877 -5.018 311 3HB ALA 43 HB3 ALA 43 -4.243 -2.380 -5.949 312 H THR 44 HN THR 44 -1.535 -5.485 -6.304 313 HA THR 44 HA THR 44 0.632 -3.912 -7.073 314 HB THR 44 HB THR 44 0.768 -6.911 -7.057 315 HG1 THR 44 HG1 THR 44 0.326 -6.986 -5.004 316 1HG2 THR 44 HG2 THR 44 2.621 -4.762 -6.070 317 2HG2 THR 44 HG2 THR 44 2.865 -5.837 -7.448 318 3HG2 THR 44 HG2 THR 44 2.856 -6.491 -5.810 319 H LEU 45 HN LEU 45 -0.597 -6.834 -8.713 320 HA LEU 45 HA LEU 45 1.026 -6.652 -10.970 321 1HB LEU 45 HB1 LEU 45 -1.001 -8.336 -10.056 322 2HB LEU 45 HB2 LEU 45 -1.598 -7.724 -11.587 323 HG LEU 45 HG LEU 45 0.409 -8.541 -12.722 324 1HD1 LEU 45 HD2 LEU 45 1.774 -8.298 -10.507 325 2HD1 LEU 45 HD2 LEU 45 2.204 -9.537 -11.686 326 3HD1 LEU 45 HD2 LEU 45 1.275 -9.971 -10.251 327 1HD2 LEU 45 HD1 LEU 45 -0.516 -10.857 -11.087 328 2HD2 LEU 45 HD1 LEU 45 -0.242 -10.741 -12.826 329 3HD2 LEU 45 HD1 LEU 45 -1.670 -9.998 -12.107 330 H GLU 46 HN GLU 46 -2.002 -5.062 -10.215 331 HA GLU 46 HA GLU 46 -2.505 -4.117 -12.860 332 1HB GLU 46 HB1 GLU 46 -4.474 -3.581 -11.954 333 2HB GLU 46 HB2 GLU 46 -3.871 -4.117 -10.394 334 1HG GLU 46 HG2 GLU 46 -3.021 -1.843 -9.971 335 2HG GLU 46 HG1 GLU 46 -3.718 -1.324 -11.505 336 H ALA 47 HN ALA 47 -0.597 -3.029 -10.180 337 HA ALA 47 HA ALA 47 -0.279 -0.326 -11.037 338 1HB ALA 47 HB1 ALA 47 0.156 -1.519 -8.704 339 2HB ALA 47 HB2 ALA 47 0.994 -0.041 -9.176 340 3HB ALA 47 HB3 ALA 47 1.796 -1.602 -9.349 341 H MET 48 HN MET 48 1.283 -3.337 -11.796 342 HA MET 48 HA MET 48 3.765 -2.494 -12.663 343 1HB MET 48 HB2 MET 48 2.080 -4.669 -13.910 344 2HB MET 48 HB1 MET 48 3.822 -4.494 -14.066 345 1HG MET 48 HG2 MET 48 2.442 -4.875 -11.426 346 2HG MET 48 HG1 MET 48 3.021 -6.214 -12.417 347 1HE MET 48 HE1 MET 48 4.022 -2.930 -10.561 348 2HE MET 48 HE2 MET 48 5.420 -3.530 -9.669 349 3HE MET 48 HE3 MET 48 3.832 -4.255 -9.413 350 HA PRO 49 HA PRO 49 2.057 -1.589 -17.068 351 1HB PRO 49 HB2 PRO 49 -0.616 -1.385 -17.417 352 2HB PRO 49 HB1 PRO 49 0.246 -2.919 -17.583 353 1HG PRO 49 HG1 PRO 49 -1.332 -1.870 -15.263 354 2HG PRO 49 HG2 PRO 49 -1.321 -3.500 -15.962 355 1HD PRO 49 HD2 PRO 49 0.060 -2.848 -13.716 356 2HD PRO 49 HD1 PRO 49 0.606 -4.097 -14.853 357 H GLN 50 HN GLN 50 -0.028 -0.422 -14.455 358 HA GLN 50 HA GLN 50 -0.304 2.214 -15.514 359 1HB GLN 50 HB2 GLN 50 -1.400 0.703 -13.365 360 2HB GLN 50 HB1 GLN 50 -0.733 2.183 -12.692 361 1HG GLN 50 HG1 GLN 50 -2.456 3.352 -13.427 362 2HG GLN 50 HG2 GLN 50 -2.193 2.787 -15.076 363 1HE2 GLN 50 HE2 GLN 50 -4.717 3.281 -14.157 364 2HE2 GLN 50 HE2 GLN 50 -5.583 1.795 -13.999 365 H LEU 51 HN LEU 51 2.410 0.805 -14.556 366 HA LEU 51 HA LEU 51 3.617 2.202 -12.562 367 1HB LEU 51 HB2 LEU 51 5.624 1.458 -13.400 368 2HB LEU 51 HB1 LEU 51 4.502 0.350 -14.157 369 HG LEU 51 HG LEU 51 4.991 2.713 -15.787 370 1HD1 LEU 51 HD1 LEU 51 7.259 1.497 -14.494 371 2HD1 LEU 51 HD1 LEU 51 7.193 2.895 -15.567 372 3HD1 LEU 51 HD1 LEU 51 7.334 1.270 -16.241 373 1HD2 LEU 51 HD2 LEU 51 5.478 -0.199 -16.371 374 2HD2 LEU 51 HD2 LEU 51 5.199 1.104 -17.528 375 3HD2 LEU 51 HD2 LEU 51 3.894 0.569 -16.469 376 H LYS 52 HN LYS 52 4.910 4.065 -12.427 377 HA LYS 52 HA LYS 52 4.778 5.989 -14.612 378 1HB LYS 52 HB2 LYS 52 3.538 6.384 -11.897 379 2HB LYS 52 HB1 LYS 52 4.068 7.752 -12.867 380 1HG LYS 52 HG1 LYS 52 2.244 5.715 -14.060 381 2HG LYS 52 HG2 LYS 52 1.600 6.952 -12.976 382 1HD LYS 52 HD1 LYS 52 2.483 8.704 -14.400 383 2HD LYS 52 HD2 LYS 52 3.231 7.502 -15.454 384 1HE LYS 52 HE2 LYS 52 1.044 6.634 -16.056 385 2HE LYS 52 HE1 LYS 52 0.269 7.767 -14.949 386 1HZ LYS 52 HZ1 LYS 52 1.282 8.203 -17.612 387 2HZ LYS 52 HZ2 LYS 52 1.747 9.395 -16.506 388 3HZ LYS 52 HZ3 LYS 52 0.107 9.058 -16.746 389 H LYS 53 HN LYS 53 5.629 8.204 -13.033 390 HA LYS 53 HA LYS 53 8.419 7.476 -12.729 391 1HB LYS 53 HB1 LYS 53 6.890 10.028 -12.951 392 2HB LYS 53 HB2 LYS 53 8.473 10.072 -12.187 393 1HG LYS 53 HG2 LYS 53 9.452 10.093 -14.167 394 2HG LYS 53 HG1 LYS 53 8.671 8.569 -14.595 395 1HD LYS 53 HD1 LYS 53 6.600 10.111 -15.042 396 2HD LYS 53 HD2 LYS 53 7.827 11.371 -15.186 397 1HE LYS 53 HE2 LYS 53 8.320 8.849 -16.652 398 2HE LYS 53 HE1 LYS 53 7.018 9.876 -17.252 399 1HZ LYS 53 HZ1 LYS 53 8.453 11.471 -17.904 400 2HZ LYS 53 HZ2 LYS 53 9.539 10.176 -17.984 401 3HZ LYS 53 HZ3 LYS 53 9.537 11.198 -16.635 402 H GLY 54 HN GLY 54 6.134 6.844 -10.740 403 1HA GLY 54 HA2 GLY 54 7.740 7.085 -8.399 404 2HA GLY 54 HA1 GLY 54 6.426 8.251 -8.378 405 H GLU 55 HN GLU 55 6.945 4.781 -9.031 406 HA GLU 55 HA GLU 55 4.289 4.167 -8.021 407 1HB GLU 55 HB2 GLU 55 4.790 2.831 -9.857 408 2HB GLU 55 HB1 GLU 55 6.461 2.602 -9.371 409 1HG GLU 55 HG1 GLU 55 5.849 1.034 -7.700 410 2HG GLU 55 HG2 GLU 55 4.137 1.413 -7.884 411 H ILE 56 HN ILE 56 3.863 2.917 -6.205 412 HA ILE 56 HA ILE 56 6.012 2.075 -4.465 413 HB ILE 56 HB ILE 56 4.321 4.469 -3.859 414 1HG1 ILE 56 HG1 ILE 56 6.888 4.445 -2.608 415 2HG1 ILE 56 HG1 ILE 56 7.080 3.920 -4.278 416 1HG2 ILE 56 HG2 ILE 56 4.859 4.222 -1.453 417 2HG2 ILE 56 HG2 ILE 56 5.441 2.591 -1.788 418 3HG2 ILE 56 HG2 ILE 56 3.744 2.994 -2.051 419 1HD1 ILE 56 HD1 ILE 56 5.435 6.072 -4.554 420 2HD1 ILE 56 HD1 ILE 56 7.190 6.097 -4.734 421 3HD1 ILE 56 HD1 ILE 56 6.454 6.553 -3.197 422 H LEU 57 HN LEU 57 5.263 0.761 -2.701 423 HA LEU 57 HA LEU 57 2.427 0.086 -2.691 424 1HB LEU 57 HB2 LEU 57 3.727 -1.451 -4.242 425 2HB LEU 57 HB1 LEU 57 4.484 -2.098 -2.819 426 HG LEU 57 HG LEU 57 2.168 -2.651 -1.978 427 1HD1 LEU 57 HD2 LEU 57 0.364 -2.010 -3.091 428 2HD1 LEU 57 HD2 LEU 57 0.951 -2.770 -4.571 429 3HD1 LEU 57 HD2 LEU 57 1.408 -1.109 -4.191 430 1HD2 LEU 57 HD1 LEU 57 2.353 -4.169 -4.467 431 2HD2 LEU 57 HD1 LEU 57 2.439 -4.715 -2.792 432 3HD2 LEU 57 HD1 LEU 57 3.874 -4.057 -3.580 433 H GLU 58 HN GLU 58 1.886 -1.384 -0.924 434 HA GLU 58 HA GLU 58 3.827 -1.566 1.161 435 1HB GLU 58 HB2 GLU 58 1.304 -0.477 2.222 436 2HB GLU 58 HB1 GLU 58 2.960 -0.090 2.662 437 1HG GLU 58 HG1 GLU 58 3.081 1.658 1.239 438 2HG GLU 58 HG2 GLU 58 2.044 0.901 0.026 439 H VAL 59 HN VAL 59 3.510 -3.360 2.416 440 HA VAL 59 HA VAL 59 0.917 -4.730 2.239 441 HB VAL 59 HB VAL 59 3.517 -6.207 1.886 442 1HG1 VAL 59 HG2 VAL 59 2.088 -8.051 1.217 443 2HG1 VAL 59 HG2 VAL 59 0.657 -7.040 1.422 444 3HG1 VAL 59 HG2 VAL 59 1.634 -7.479 2.822 445 1HG2 VAL 59 HG1 VAL 59 3.575 -5.617 -0.251 446 2HG2 VAL 59 HG1 VAL 59 2.157 -4.595 -0.018 447 3HG2 VAL 59 HG1 VAL 59 1.958 -6.285 -0.475 448 H VAL 60 HN VAL 60 0.250 -5.581 4.095 449 HA VAL 60 HA VAL 60 2.184 -6.185 6.206 450 HB VAL 60 HB VAL 60 -0.339 -4.585 6.654 451 1HG1 VAL 60 HG1 VAL 60 0.098 -4.632 8.949 452 2HG1 VAL 60 HG1 VAL 60 1.747 -5.213 8.717 453 3HG1 VAL 60 HG1 VAL 60 0.382 -6.293 8.427 454 1HG2 VAL 60 HG2 VAL 60 1.677 -3.082 7.644 455 2HG2 VAL 60 HG2 VAL 60 1.021 -2.906 6.015 456 3HG2 VAL 60 HG2 VAL 60 2.486 -3.853 6.279 457 H SER 61 HN SER 61 1.799 -8.370 5.572 458 HA SER 61 HA SER 61 -0.824 -9.379 6.446 459 1HB SER 61 HB1 SER 61 -1.010 -10.748 4.619 460 2HB SER 61 HB2 SER 61 -0.024 -9.482 3.888 461 HG SER 61 HG SER 61 1.549 -10.853 3.697 462 H ASP 62 HN ASP 62 -0.672 -11.846 6.827 463 HA ASP 62 HA ASP 62 1.749 -12.371 8.429 464 1HB ASP 62 HB2 ASP 62 -0.956 -12.318 9.226 465 2HB ASP 62 HB1 ASP 62 -0.466 -14.008 9.226 466 H CYS 63 HN CYS 63 2.935 -14.065 7.848 467 HA CYS 63 HA CYS 63 1.746 -16.422 6.679 468 1HB CYS 63 HB1 CYS 63 2.756 -14.384 4.976 469 2HB CYS 63 HB2 CYS 63 3.895 -15.725 4.916 470 HG CYS 63 HG CYS 63 2.201 -16.273 3.115 471 HA PRO 64 HA PRO 64 5.252 -18.142 8.761 472 1HB PRO 64 HB2 PRO 64 5.158 -20.667 7.872 473 2HB PRO 64 HB1 PRO 64 3.890 -20.008 8.913 474 1HG PRO 64 HG2 PRO 64 3.896 -20.394 5.944 475 2HG PRO 64 HG1 PRO 64 2.602 -20.719 7.111 476 1HD PRO 64 HD2 PRO 64 2.740 -18.460 5.553 477 2HD PRO 64 HD1 PRO 64 1.895 -18.544 7.111 478 H GLN 65 HN GLN 65 5.322 -17.331 5.582 479 HA GLN 65 HA GLN 65 8.079 -18.317 5.271 480 1HB GLN 65 HB1 GLN 65 5.843 -18.898 3.622 481 2HB GLN 65 HB2 GLN 65 6.896 -17.825 2.710 482 1HG GLN 65 HG2 GLN 65 7.547 -20.032 2.188 483 2HG GLN 65 HG1 GLN 65 8.788 -19.375 3.254 484 1HE2 GLN 65 HE2 GLN 65 9.264 -20.423 5.079 485 2HE2 GLN 65 HE2 GLN 65 8.412 -21.799 5.684 486 H SER 66 HN SER 66 9.408 -16.992 3.805 487 HA SER 66 HA SER 66 9.176 -14.228 4.467 488 1HB SER 66 HB2 SER 66 11.056 -15.655 2.567 489 2HB SER 66 HB1 SER 66 11.215 -13.970 3.064 490 HG SER 66 HG SER 66 10.948 -15.601 5.204 491 H ILE 67 HN ILE 67 9.033 -15.999 1.380 492 HA ILE 67 HA ILE 67 8.198 -13.676 -0.087 493 HB ILE 67 HB ILE 67 7.985 -16.536 -1.010 494 1HG1 ILE 67 HG1 ILE 67 10.331 -15.275 -2.022 495 2HG1 ILE 67 HG1 ILE 67 10.339 -15.093 -0.270 496 1HG2 ILE 67 HG2 ILE 67 8.359 -13.951 -2.517 497 2HG2 ILE 67 HG2 ILE 67 6.856 -14.864 -2.389 498 3HG2 ILE 67 HG2 ILE 67 8.241 -15.559 -3.230 499 1HD1 ILE 67 HD1 ILE 67 10.468 -17.356 0.098 500 2HD1 ILE 67 HD1 ILE 67 11.431 -17.170 -1.368 501 3HD1 ILE 67 HD1 ILE 67 9.772 -17.760 -1.471 502 H ASN 68 HN ASN 68 6.171 -13.189 -0.879 503 HA ASN 68 HA ASN 68 3.939 -14.873 0.015 504 1HB ASN 68 HB2 ASN 68 4.586 -12.495 1.251 505 2HB ASN 68 HB1 ASN 68 3.348 -12.007 0.097 506 1HD2 ASN 68 HD2 ASN 68 3.090 -11.950 2.907 507 2HD2 ASN 68 HD2 ASN 68 1.830 -13.049 3.345 508 H ASN 69 HN ASN 69 1.825 -13.519 -0.917 509 HA ASN 69 HA ASN 69 1.980 -13.996 -3.715 510 1HB ASN 69 HB1 ASN 69 -0.036 -14.285 -2.129 511 2HB ASN 69 HB2 ASN 69 -0.290 -12.559 -2.362 512 1HD2 ASN 69 HD2 ASN 69 0.829 -14.986 -4.668 513 2HD2 ASN 69 HD2 ASN 69 -0.484 -14.794 -5.776 514 H ILE 70 HN ILE 70 1.554 -11.023 -1.793 515 HA ILE 70 HA ILE 70 1.273 -9.278 -3.951 516 HB ILE 70 HB ILE 70 2.689 -8.212 -1.577 517 1HG1 ILE 70 HG1 ILE 70 1.232 -9.792 -0.466 518 2HG1 ILE 70 HG1 ILE 70 0.546 -8.177 -0.283 519 1HG2 ILE 70 HG2 ILE 70 0.333 -7.355 -3.251 520 2HG2 ILE 70 HG2 ILE 70 1.964 -6.681 -3.258 521 3HG2 ILE 70 HG2 ILE 70 0.927 -6.463 -1.848 522 1HD1 ILE 70 HD1 ILE 70 -1.012 -10.136 -0.848 523 2HD1 ILE 70 HD1 ILE 70 -0.373 -9.974 -2.484 524 3HD1 ILE 70 HD1 ILE 70 -1.202 -8.617 -1.723 525 HA PRO 71 HA PRO 71 6.063 -8.484 -3.739 526 1HB PRO 71 HB1 PRO 71 7.566 -10.532 -2.758 527 2HB PRO 71 HB2 PRO 71 7.004 -9.181 -1.768 528 1HG PRO 71 HG1 PRO 71 5.841 -11.928 -2.060 529 2HG PRO 71 HG2 PRO 71 6.107 -10.979 -0.585 530 1HD PRO 71 HD2 PRO 71 3.685 -11.151 -1.735 531 2HD PRO 71 HD1 PRO 71 4.238 -9.658 -0.948 532 H LEU 72 HN LEU 72 5.097 -11.891 -4.044 533 HA LEU 72 HA LEU 72 6.870 -12.479 -6.184 534 1HB LEU 72 HB1 LEU 72 5.872 -14.185 -4.690 535 2HB LEU 72 HB2 LEU 72 4.304 -13.870 -5.407 536 HG LEU 72 HG LEU 72 5.983 -14.449 -7.570 537 1HD1 LEU 72 HD1 LEU 72 6.844 -15.834 -5.139 538 2HD1 LEU 72 HD1 LEU 72 7.678 -15.610 -6.677 539 3HD1 LEU 72 HD1 LEU 72 6.489 -16.900 -6.498 540 1HD2 LEU 72 HD2 LEU 72 4.494 -16.204 -7.957 541 2HD2 LEU 72 HD2 LEU 72 3.543 -15.028 -7.051 542 3HD2 LEU 72 HD2 LEU 72 4.192 -16.450 -6.237 543 H ASP 73 HN ASP 73 3.831 -10.899 -6.007 544 HA ASP 73 HA ASP 73 2.882 -11.431 -8.619 545 1HB ASP 73 HB2 ASP 73 2.063 -9.870 -6.365 546 2HB ASP 73 HB1 ASP 73 2.007 -8.852 -7.802 547 H ALA 74 HN ALA 74 4.345 -8.445 -7.323 548 HA ALA 74 HA ALA 74 4.732 -7.189 -9.789 549 1HB ALA 74 HB1 ALA 74 5.159 -6.515 -7.170 550 2HB ALA 74 HB2 ALA 74 5.594 -5.530 -8.567 551 3HB ALA 74 HB3 ALA 74 6.798 -6.582 -7.820 552 H ARG 75 HN ARG 75 6.840 -9.354 -7.954 553 HA ARG 75 HA ARG 75 9.095 -9.176 -9.619 554 1HB ARG 75 HB1 ARG 75 9.202 -10.151 -7.386 555 2HB ARG 75 HB2 ARG 75 8.134 -11.458 -7.877 556 1HG ARG 75 HG2 ARG 75 9.818 -12.645 -8.717 557 2HG ARG 75 HG1 ARG 75 10.479 -11.251 -9.577 558 1HD ARG 75 HD1 ARG 75 11.915 -10.727 -7.905 559 2HD ARG 75 HD2 ARG 75 10.808 -11.261 -6.641 560 HE ARG 75 HE ARG 75 11.582 -13.475 -6.938 561 1HH1 ARG 75 HH2 ARG 75 13.268 -11.149 -8.910 562 2HH1 ARG 75 HH2 ARG 75 14.615 -12.195 -9.218 563 1HH2 ARG 75 HH1 ARG 75 13.352 -14.857 -7.338 564 2HH2 ARG 75 HH1 ARG 75 14.662 -14.302 -8.325 565 H ASN 76 HN ASN 76 6.126 -10.982 -9.907 566 HA ASN 76 HA ASN 76 6.997 -12.850 -11.850 567 1HB ASN 76 HB2 ASN 76 4.765 -12.664 -10.393 568 2HB ASN 76 HB1 ASN 76 4.171 -11.908 -11.869 569 1HD2 ASN 76 HD2 ASN 76 4.665 -14.788 -10.273 570 2HD2 ASN 76 HD2 ASN 76 4.461 -15.870 -11.605 571 H HIS 77 HN HIS 77 4.856 -10.030 -12.309 572 HA HIS 77 HA HIS 77 5.145 -9.968 -15.114 573 1HB HIS 77 HB1 HIS 77 3.739 -8.485 -13.109 574 2HB HIS 77 HB2 HIS 77 4.555 -7.349 -14.177 575 HD2 HIS 77 HD2 HIS 77 3.776 -7.522 -16.912 576 HE1 HIS 77 HE1 HIS 77 0.221 -9.628 -15.995 577 HE2 HIS 77 HE2 HIS 77 1.476 -8.347 -17.787 578 H GLY 78 HN GLY 78 6.476 -7.740 -12.666 579 1HA GLY 78 HA1 GLY 78 9.068 -7.634 -13.176 580 2HA GLY 78 HA2 GLY 78 8.456 -6.805 -14.596 581 H TYR 79 HN TYR 79 9.223 -6.568 -11.277 582 HA TYR 79 HA TYR 79 7.882 -4.021 -10.901 583 1HB TYR 79 HB1 TYR 79 8.716 -4.171 -8.615 584 2HB TYR 79 HB2 TYR 79 8.001 -5.713 -9.082 585 HD1 TYR 79 HD1 TYR 79 9.412 -7.674 -9.469 586 HD2 TYR 79 HD2 TYR 79 11.105 -3.974 -8.230 587 HE1 TYR 79 HE1 TYR 79 11.501 -8.832 -8.884 588 HE2 TYR 79 HE2 TYR 79 13.198 -5.121 -7.642 589 HH TYR 79 HH TYR 79 13.446 -8.501 -7.426 590 H THR 80 HN THR 80 9.518 -2.592 -9.371 591 HA THR 80 HA THR 80 11.890 -2.043 -11.030 592 HB THR 80 HB THR 80 10.329 -0.047 -9.374 593 HG1 THR 80 HG1 THR 80 9.112 -0.646 -11.162 594 1HG2 THR 80 HG2 THR 80 12.675 0.566 -9.688 595 2HG2 THR 80 HG2 THR 80 11.579 1.652 -10.540 596 3HG2 THR 80 HG2 THR 80 12.468 0.419 -11.432 597 H VAL 81 HN VAL 81 10.501 -1.772 -7.779 598 HA VAL 81 HA VAL 81 13.043 -2.677 -6.651 599 HB VAL 81 HB VAL 81 11.503 -0.369 -5.462 600 1HG1 VAL 81 HG1 VAL 81 13.808 -0.202 -4.238 601 2HG1 VAL 81 HG1 VAL 81 13.933 -1.907 -4.670 602 3HG1 VAL 81 HG1 VAL 81 12.585 -1.345 -3.682 603 1HG2 VAL 81 HG2 VAL 81 13.912 -0.421 -7.245 604 2HG2 VAL 81 HG2 VAL 81 13.651 0.895 -6.099 605 3HG2 VAL 81 HG2 VAL 81 12.463 0.578 -7.363 606 H LEU 82 HN LEU 82 12.559 -4.491 -5.612 607 HA LEU 82 HA LEU 82 10.027 -4.663 -4.116 608 1HB LEU 82 HB2 LEU 82 11.091 -6.336 -6.195 609 2HB LEU 82 HB1 LEU 82 10.989 -7.264 -4.715 610 HG LEU 82 HG LEU 82 8.996 -7.386 -6.293 611 1HD1 LEU 82 HD1 LEU 82 8.328 -6.431 -3.518 612 2HD1 LEU 82 HD1 LEU 82 9.037 -8.011 -3.848 613 3HD1 LEU 82 HD1 LEU 82 7.456 -7.599 -4.512 614 1HD2 LEU 82 HD2 LEU 82 8.134 -5.470 -6.993 615 2HD2 LEU 82 HD2 LEU 82 9.076 -4.541 -5.827 616 3HD2 LEU 82 HD2 LEU 82 7.520 -5.224 -5.360 617 H ASP 83 HN ASP 83 10.701 -4.262 -2.061 618 HA ASP 83 HA ASP 83 12.741 -6.079 -0.966 619 1HB ASP 83 HB1 ASP 83 13.211 -4.092 0.658 620 2HB ASP 83 HB2 ASP 83 13.931 -4.078 -0.949 621 H ILE 84 HN ILE 84 12.428 -6.731 1.203 622 HA ILE 84 HA ILE 84 9.820 -6.045 2.369 623 HB ILE 84 HB ILE 84 9.291 -8.315 2.855 624 1HG1 ILE 84 HG1 ILE 84 11.862 -9.167 1.513 625 2HG1 ILE 84 HG1 ILE 84 11.692 -8.998 3.257 626 1HG2 ILE 84 HG2 ILE 84 8.664 -7.565 0.640 627 2HG2 ILE 84 HG2 ILE 84 9.089 -9.276 0.602 628 3HG2 ILE 84 HG2 ILE 84 10.229 -8.072 0.001 629 1HD1 ILE 84 HD1 ILE 84 11.351 -11.247 2.942 630 2HD1 ILE 84 HD1 ILE 84 10.472 -11.010 1.432 631 3HD1 ILE 84 HD1 ILE 84 9.701 -10.624 2.971 632 H GLN 85 HN GLN 85 9.667 -7.148 4.633 633 HA GLN 85 HA GLN 85 12.218 -7.183 6.038 634 1HB GLN 85 HB1 GLN 85 10.962 -4.819 5.966 635 2HB GLN 85 HB2 GLN 85 10.087 -5.542 7.308 636 1HG GLN 85 HG2 GLN 85 12.895 -5.971 7.647 637 2HG GLN 85 HG1 GLN 85 12.577 -4.261 7.363 638 1HE2 GLN 85 HE2 GLN 85 13.565 -4.753 9.718 639 2HE2 GLN 85 HE2 GLN 85 12.368 -4.708 10.964 640 H GLN 86 HN GLN 86 11.799 -7.727 8.440 641 HA GLN 86 HA GLN 86 9.533 -9.604 8.606 642 1HB GLN 86 HB2 GLN 86 11.922 -10.227 10.222 643 2HB GLN 86 HB1 GLN 86 10.858 -11.300 9.324 644 1HG GLN 86 HG1 GLN 86 12.181 -11.304 7.526 645 2HG GLN 86 HG2 GLN 86 12.503 -9.574 7.635 646 1HE2 GLN 86 HE2 GLN 86 13.386 -12.715 8.950 647 2HE2 GLN 86 HE2 GLN 86 14.983 -12.269 9.435 648 H ASP 87 HN ASP 87 8.202 -9.308 10.261 649 HA ASP 87 HA ASP 87 9.178 -7.794 12.591 650 1HB ASP 87 HB2 ASP 87 7.193 -6.993 10.792 651 2HB ASP 87 HB1 ASP 87 6.308 -7.586 12.195 652 H GLY 88 HN GLY 88 7.171 -8.057 14.335 653 1HA GLY 88 HA2 GLY 88 6.523 -10.920 14.460 654 2HA GLY 88 HA1 GLY 88 7.392 -10.185 15.797 655 HA PRO 89 HA PRO 89 5.281 -12.046 14.662 656 1HB PRO 89 HB2 PRO 89 2.908 -13.225 14.958 657 2HB PRO 89 HB1 PRO 89 3.948 -12.934 16.356 658 1HG PRO 89 HG2 PRO 89 1.447 -11.573 15.551 659 2HG PRO 89 HG1 PRO 89 2.170 -11.738 17.159 660 1HD PRO 89 HD2 PRO 89 2.352 -9.508 15.334 661 2HD PRO 89 HD1 PRO 89 3.017 -9.646 16.975 662 H THR 90 HN THR 90 5.159 -10.181 12.771 663 HA THR 90 HA THR 90 3.373 -11.334 10.775 664 HB THR 90 HB THR 90 2.740 -8.961 10.045 665 HG1 THR 90 HG1 THR 90 4.348 -8.255 11.896 666 1HG2 THR 90 HG2 THR 90 0.777 -9.487 10.885 667 2HG2 THR 90 HG2 THR 90 1.317 -8.956 12.477 668 3HG2 THR 90 HG2 THR 90 1.535 -10.636 11.987 669 H ILE 91 HN ILE 91 3.734 -9.789 8.665 670 HA ILE 91 HA ILE 91 6.581 -9.202 8.366 671 HB ILE 91 HB ILE 91 6.438 -11.504 7.659 672 1HG1 ILE 91 HG1 ILE 91 6.459 -9.978 5.072 673 2HG1 ILE 91 HG1 ILE 91 7.695 -9.668 6.288 674 1HG2 ILE 91 HG2 ILE 91 4.303 -10.642 5.715 675 2HG2 ILE 91 HG2 ILE 91 4.011 -11.524 7.213 676 3HG2 ILE 91 HG2 ILE 91 4.952 -12.269 5.921 677 1HD1 ILE 91 HD1 ILE 91 7.146 -12.227 4.822 678 2HD1 ILE 91 HD1 ILE 91 8.189 -12.135 6.242 679 3HD1 ILE 91 HD1 ILE 91 8.603 -11.233 4.784 680 H ARG 92 HN ARG 92 7.044 -7.679 6.761 681 HA ARG 92 HA ARG 92 4.689 -6.488 5.453 682 1HB ARG 92 HB1 ARG 92 5.253 -4.377 6.102 683 2HB ARG 92 HB2 ARG 92 5.923 -5.265 7.462 684 1HG ARG 92 HG1 ARG 92 8.135 -5.213 6.353 685 2HG ARG 92 HG2 ARG 92 7.431 -4.216 5.077 686 1HD ARG 92 HD1 ARG 92 6.971 -2.448 6.598 687 2HD ARG 92 HD2 ARG 92 7.349 -3.462 7.990 688 HE ARG 92 HE ARG 92 9.693 -3.457 7.105 689 1HH1 ARG 92 HH2 ARG 92 7.471 -0.873 6.374 690 2HH1 ARG 92 HH2 ARG 92 8.719 0.304 6.135 691 1HH2 ARG 92 HH1 ARG 92 11.342 -1.912 6.792 692 2HH2 ARG 92 HH1 ARG 92 10.919 -0.286 6.372 693 H TYR 93 HN TYR 93 4.934 -5.640 3.410 694 HA TYR 93 HA TYR 93 7.493 -6.117 2.043 695 1HB TYR 93 HB1 TYR 93 4.823 -6.683 0.752 696 2HB TYR 93 HB2 TYR 93 6.422 -7.146 0.184 697 HD1 TYR 93 HD1 TYR 93 7.188 -9.293 0.583 698 HD2 TYR 93 HD2 TYR 93 4.065 -7.749 3.021 699 HE1 TYR 93 HE1 TYR 93 6.940 -11.494 1.649 700 HE2 TYR 93 HE2 TYR 93 3.809 -9.944 4.096 701 HH TYR 93 HH TYR 93 4.366 -12.133 3.971 702 H LEU 94 HN LEU 94 8.146 -4.425 0.801 703 HA LEU 94 HA LEU 94 6.132 -2.437 0.014 704 1HB LEU 94 HB2 LEU 94 8.159 -0.781 0.533 705 2HB LEU 94 HB1 LEU 94 6.933 -1.186 1.720 706 HG LEU 94 HG LEU 94 9.334 -2.927 1.640 707 1HD1 LEU 94 HD1 LEU 94 10.272 -0.664 1.373 708 2HD1 LEU 94 HD1 LEU 94 10.669 -1.382 2.933 709 3HD1 LEU 94 HD1 LEU 94 9.408 -0.156 2.823 710 1HD2 LEU 94 HD2 LEU 94 7.284 -3.030 3.208 711 2HD2 LEU 94 HD2 LEU 94 8.047 -1.669 4.030 712 3HD2 LEU 94 HD2 LEU 94 8.897 -3.209 3.898 713 H ILE 95 HN ILE 95 6.508 -1.360 -1.890 714 HA ILE 95 HA ILE 95 8.972 -1.996 -3.350 715 HB ILE 95 HB ILE 95 8.005 -2.990 -5.114 716 1HG1 ILE 95 HG1 ILE 95 5.378 -2.362 -5.521 717 2HG1 ILE 95 HG1 ILE 95 5.960 -0.873 -4.782 718 1HG2 ILE 95 HG2 ILE 95 7.167 -4.181 -3.067 719 2HG2 ILE 95 HG2 ILE 95 6.228 -4.454 -4.535 720 3HG2 ILE 95 HG2 ILE 95 5.630 -3.348 -3.297 721 1HD1 ILE 95 HD1 ILE 95 6.420 -0.352 -6.918 722 2HD1 ILE 95 HD1 ILE 95 6.552 -2.039 -7.417 723 3HD1 ILE 95 HD1 ILE 95 7.897 -1.258 -6.586 724 H GLN 96 HN GLN 96 9.427 -0.525 -5.127 725 HA GLN 96 HA GLN 96 7.873 1.910 -5.298 726 1HB GLN 96 HB1 GLN 96 9.619 3.408 -4.595 727 2HB GLN 96 HB2 GLN 96 9.340 2.244 -3.306 728 1HG GLN 96 HG2 GLN 96 11.344 1.171 -4.979 729 2HG GLN 96 HG1 GLN 96 11.756 2.861 -4.677 730 1HE2 GLN 96 HE2 GLN 96 13.498 2.395 -3.379 731 2HE2 GLN 96 HE2 GLN 96 13.336 1.724 -1.795 732 H LYS 97 HN LYS 97 8.836 3.450 -6.906 733 HA LYS 97 HA LYS 97 10.443 2.015 -8.920 734 1HB LYS 97 HB1 LYS 97 8.245 2.138 -9.818 735 2HB LYS 97 HB2 LYS 97 8.049 3.807 -9.304 736 1HG LYS 97 HG2 LYS 97 8.813 4.535 -11.247 737 2HG LYS 97 HG1 LYS 97 10.310 3.623 -11.037 738 1HD LYS 97 HD1 LYS 97 8.917 1.593 -11.806 739 2HD LYS 97 HD2 LYS 97 7.774 2.796 -12.403 740 1HE LYS 97 HE2 LYS 97 9.468 1.966 -14.076 741 2HE LYS 97 HE1 LYS 97 9.366 3.716 -13.887 742 1HZ LYS 97 HZ1 LYS 97 11.640 2.255 -13.766 743 2HZ LYS 97 HZ2 LYS 97 11.279 2.485 -12.130 744 3HZ LYS 97 HZ3 LYS 97 11.455 3.821 -13.152 Start of MODEL 9 1 1H MET 1 HT1 MET 1 -5.390 30.048 -28.625 2 2H MET 1 HT2 MET 1 -6.643 30.478 -27.535 3 3H MET 1 HT3 MET 1 -6.785 30.863 -29.201 4 HA MET 1 HA MET 1 -7.988 28.840 -28.176 5 1HB MET 1 HB1 MET 1 -7.102 29.687 -30.731 6 2HB MET 1 HB2 MET 1 -6.868 27.945 -30.666 7 1HG MET 1 HG1 MET 1 -9.300 27.919 -29.757 8 2HG MET 1 HG2 MET 1 -9.391 29.525 -30.478 9 1HE MET 1 HE1 MET 1 -9.825 25.577 -31.673 10 2HE MET 1 HE2 MET 1 -8.321 26.018 -30.862 11 3HE MET 1 HE3 MET 1 -8.321 25.662 -32.589 12 H GLY 2 HN GLY 2 -7.420 26.403 -29.193 13 1HA GLY 2 HA1 GLY 2 -5.065 25.603 -27.608 14 2HA GLY 2 HA2 GLY 2 -6.462 24.584 -27.921 15 H SER 3 HN SER 3 -3.362 24.699 -28.553 16 HA SER 3 HA SER 3 -3.673 23.683 -31.300 17 1HB SER 3 HB1 SER 3 -2.451 25.819 -31.294 18 2HB SER 3 HB2 SER 3 -1.285 25.150 -30.151 19 HG SER 3 HG SER 3 -0.766 25.111 -32.508 20 H SER 4 HN SER 4 -2.270 23.274 -28.144 21 HA SER 4 HA SER 4 -0.920 20.815 -28.992 22 1HB SER 4 HB1 SER 4 0.618 21.278 -27.420 23 2HB SER 4 HB2 SER 4 -0.182 22.835 -27.206 24 HG SER 4 HG SER 4 -0.082 20.715 -25.531 25 H HIS 5 HN HIS 5 -1.720 18.865 -28.545 26 HA HIS 5 HA HIS 5 -3.852 18.658 -26.524 27 1HB HIS 5 HB2 HIS 5 -3.911 17.980 -29.365 28 2HB HIS 5 HB1 HIS 5 -4.382 16.631 -28.336 29 HD2 HIS 5 HD2 HIS 5 -7.001 16.623 -27.838 30 HE1 HIS 5 HE1 HIS 5 -7.663 20.786 -28.231 31 HE2 HIS 5 HE2 HIS 5 -8.752 18.538 -27.792 32 H HIS 6 HN HIS 6 -3.747 16.967 -25.143 33 HA HIS 6 HA HIS 6 -1.510 15.084 -25.509 34 1HB HIS 6 HB1 HIS 6 -2.595 16.448 -23.067 35 2HB HIS 6 HB2 HIS 6 -1.784 14.894 -22.909 36 HD2 HIS 6 HD2 HIS 6 0.960 14.901 -23.399 37 HE1 HIS 6 HE1 HIS 6 1.250 19.120 -23.597 38 HE2 HIS 6 HE2 HIS 6 2.553 16.948 -23.458 39 H HIS 7 HN HIS 7 -2.047 13.203 -23.662 40 HA HIS 7 HA HIS 7 -4.410 11.917 -24.781 41 1HB HIS 7 HB2 HIS 7 -2.080 10.821 -24.507 42 2HB HIS 7 HB1 HIS 7 -2.519 10.653 -22.811 43 HD2 HIS 7 HD2 HIS 7 -2.508 7.857 -23.215 44 HE1 HIS 7 HE1 HIS 7 -6.082 7.905 -25.483 45 HE2 HIS 7 HE2 HIS 7 -4.419 6.439 -24.253 46 H HIS 8 HN HIS 8 -3.052 11.855 -21.489 47 HA HIS 8 HA HIS 8 -5.734 11.728 -20.387 48 1HB HIS 8 HB2 HIS 8 -3.031 11.669 -19.024 49 2HB HIS 8 HB1 HIS 8 -4.578 11.392 -18.228 50 HD2 HIS 8 HD2 HIS 8 -5.992 9.093 -19.551 51 HE1 HIS 8 HE1 HIS 8 -2.253 7.199 -20.137 52 HE2 HIS 8 HE2 HIS 8 -4.768 6.871 -20.095 53 H HIS 9 HN HIS 9 -5.973 13.043 -18.227 54 HA HIS 9 HA HIS 9 -6.002 15.793 -18.978 55 1HB HIS 9 HB1 HIS 9 -7.443 14.257 -17.222 56 2HB HIS 9 HB2 HIS 9 -6.428 15.195 -16.131 57 HD2 HIS 9 HD2 HIS 9 -9.456 15.629 -18.482 58 HE1 HIS 9 HE1 HIS 9 -8.600 19.365 -16.687 59 HE2 HIS 9 HE2 HIS 9 -10.255 18.070 -18.106 60 H HIS 10 HN HIS 10 -5.364 17.326 -16.922 61 HA HIS 10 HA HIS 10 -2.476 16.877 -16.583 62 1HB HIS 10 HB2 HIS 10 -4.112 19.251 -17.160 63 2HB HIS 10 HB1 HIS 10 -2.882 19.507 -15.927 64 HD2 HIS 10 HD2 HIS 10 -0.259 18.351 -16.970 65 HE1 HIS 10 HE1 HIS 10 -1.238 19.914 -20.780 66 HE2 HIS 10 HE2 HIS 10 0.625 19.001 -19.321 67 H SER 11 HN SER 11 -5.359 18.072 -14.887 68 HA SER 11 HA SER 11 -4.097 17.259 -12.358 69 1HB SER 11 HB2 SER 11 -5.888 19.665 -12.429 70 2HB SER 11 HB1 SER 11 -4.623 19.248 -11.272 71 HG SER 11 HG SER 11 -3.105 19.961 -12.646 72 H SER 12 HN SER 12 -6.073 17.711 -10.596 73 HA SER 12 HA SER 12 -7.962 15.651 -11.250 74 1HB SER 12 HB2 SER 12 -8.773 15.954 -8.960 75 2HB SER 12 HB1 SER 12 -7.011 15.879 -8.977 76 HG SER 12 HG SER 12 -8.188 18.393 -9.192 77 H GLY 13 HN GLY 13 -10.297 16.380 -10.067 78 1HA GLY 13 HA1 GLY 13 -11.180 18.738 -11.613 79 2HA GLY 13 HA2 GLY 13 -12.096 17.239 -11.618 80 H LEU 14 HN LEU 14 -13.292 16.648 -9.794 81 HA LEU 14 HA LEU 14 -13.466 18.656 -7.656 82 1HB LEU 14 HB2 LEU 14 -15.506 17.938 -9.604 83 2HB LEU 14 HB1 LEU 14 -16.059 17.708 -7.957 84 HG LEU 14 HG LEU 14 -14.752 20.254 -8.165 85 1HD1 LEU 14 HD1 LEU 14 -16.744 21.133 -9.663 86 2HD1 LEU 14 HD1 LEU 14 -16.598 19.525 -10.374 87 3HD1 LEU 14 HD1 LEU 14 -15.212 20.616 -10.368 88 1HD2 LEU 14 HD2 LEU 14 -16.500 20.915 -6.898 89 2HD2 LEU 14 HD2 LEU 14 -16.726 19.177 -6.706 90 3HD2 LEU 14 HD2 LEU 14 -17.684 20.066 -7.890 91 H VAL 15 HN VAL 15 -12.225 17.131 -6.434 92 HA VAL 15 HA VAL 15 -13.904 15.021 -5.284 93 HB VAL 15 HB VAL 15 -12.533 13.765 -6.752 94 1HG1 VAL 15 HG1 VAL 15 -10.069 15.076 -5.629 95 2HG1 VAL 15 HG1 VAL 15 -10.873 15.628 -7.099 96 3HG1 VAL 15 HG1 VAL 15 -10.193 14.002 -7.022 97 1HG2 VAL 15 HG2 VAL 15 -11.105 12.456 -5.198 98 2HG2 VAL 15 HG2 VAL 15 -12.736 12.743 -4.591 99 3HG2 VAL 15 HG2 VAL 15 -11.384 13.689 -3.968 100 HA PRO 16 HA PRO 16 -12.249 17.250 -1.738 101 1HB PRO 16 HB2 PRO 16 -14.112 16.495 0.029 102 2HB PRO 16 HB1 PRO 16 -14.475 17.664 -1.247 103 1HG PRO 16 HG1 PRO 16 -15.116 14.745 -1.107 104 2HG PRO 16 HG2 PRO 16 -16.124 16.086 -1.681 105 1HD PRO 16 HD1 PRO 16 -14.696 14.395 -3.324 106 2HD PRO 16 HD2 PRO 16 -15.202 16.036 -3.769 107 H ARG 17 HN ARG 17 -12.752 13.850 -2.126 108 HA ARG 17 HA ARG 17 -10.985 13.330 0.175 109 1HB ARG 17 HB1 ARG 17 -13.490 12.048 -0.693 110 2HB ARG 17 HB2 ARG 17 -12.202 10.928 -0.269 111 1HG ARG 17 HG2 ARG 17 -11.985 12.048 1.915 112 2HG ARG 17 HG1 ARG 17 -13.340 13.093 1.486 113 1HD ARG 17 HD2 ARG 17 -14.324 10.577 0.988 114 2HD ARG 17 HD1 ARG 17 -13.326 10.331 2.419 115 HE ARG 17 HE ARG 17 -15.438 12.382 2.305 116 1HH1 ARG 17 HH1 ARG 17 -13.806 9.750 3.902 117 2HH1 ARG 17 HH1 ARG 17 -14.763 9.861 5.342 118 1HH2 ARG 17 HH2 ARG 17 -16.703 12.535 4.197 119 2HH2 ARG 17 HH2 ARG 17 -16.409 11.444 5.509 120 H GLY 18 HN GLY 18 -9.005 13.034 -0.649 121 1HA GLY 18 HA1 GLY 18 -8.675 11.628 -3.186 122 2HA GLY 18 HA2 GLY 18 -7.416 12.464 -2.287 123 H SER 19 HN SER 19 -9.355 10.425 -0.381 124 HA SER 19 HA SER 19 -7.131 8.613 0.009 125 1HB SER 19 HB1 SER 19 -8.177 7.957 1.983 126 2HB SER 19 HB2 SER 19 -8.743 9.619 1.817 127 HG SER 19 HG SER 19 -10.127 7.213 1.355 128 H HIS 20 HN HIS 20 -8.370 6.249 0.657 129 HA HIS 20 HA HIS 20 -8.555 4.931 -1.774 130 1HB HIS 20 HB2 HIS 20 -9.930 3.221 -0.237 131 2HB HIS 20 HB1 HIS 20 -8.185 3.410 -0.115 132 HD2 HIS 20 HD2 HIS 20 -11.386 4.004 1.953 133 HE1 HIS 20 HE1 HIS 20 -8.046 5.204 4.263 134 HE2 HIS 20 HE2 HIS 20 -10.543 4.761 4.288 135 H MET 21 HN MET 21 -9.994 5.198 -3.328 136 HA MET 21 HA MET 21 -12.806 5.663 -2.585 137 1HB MET 21 HB1 MET 21 -11.365 7.419 -3.934 138 2HB MET 21 HB2 MET 21 -11.751 6.368 -5.291 139 1HG MET 21 HG1 MET 21 -13.515 7.752 -5.463 140 2HG MET 21 HG2 MET 21 -14.198 6.645 -4.274 141 1HE MET 21 HE1 MET 21 -15.985 8.407 -3.463 142 2HE MET 21 HE2 MET 21 -15.533 9.139 -1.924 143 3HE MET 21 HE3 MET 21 -15.268 7.417 -2.193 144 H LYS 22 HN LYS 22 -11.103 4.592 -5.526 145 HA LYS 22 HA LYS 22 -12.814 2.197 -5.546 146 1HB LYS 22 HB2 LYS 22 -12.274 2.736 -8.219 147 2HB LYS 22 HB1 LYS 22 -13.805 2.982 -7.392 148 1HG LYS 22 HG1 LYS 22 -13.661 5.172 -7.665 149 2HG LYS 22 HG2 LYS 22 -12.068 5.210 -6.905 150 1HD LYS 22 HD2 LYS 22 -11.280 5.803 -8.907 151 2HD LYS 22 HD1 LYS 22 -11.565 4.129 -9.393 152 1HE LYS 22 HE2 LYS 22 -13.190 4.734 -10.787 153 2HE LYS 22 HE1 LYS 22 -13.996 5.675 -9.533 154 1HZ LYS 22 HZ1 LYS 22 -13.419 7.136 -11.297 155 2HZ LYS 22 HZ2 LYS 22 -11.820 6.584 -11.331 156 3HZ LYS 22 HZ3 LYS 22 -12.378 7.479 -10.009 157 H ASN 23 HN ASN 23 -10.068 3.541 -7.390 158 HA ASN 23 HA ASN 23 -8.570 1.085 -6.793 159 1HB ASN 23 HB1 ASN 23 -8.839 2.404 -9.503 160 2HB ASN 23 HB2 ASN 23 -7.696 1.117 -9.132 161 1HD2 ASN 23 HD2 ASN 23 -10.931 1.920 -9.889 162 2HD2 ASN 23 HD2 ASN 23 -11.561 0.311 -9.925 163 H ILE 24 HN ILE 24 -6.468 1.374 -6.291 164 HA ILE 24 HA ILE 24 -5.302 4.044 -6.713 165 HB ILE 24 HB ILE 24 -4.890 2.403 -4.215 166 1HG1 ILE 24 HG1 ILE 24 -6.190 4.705 -3.450 167 2HG1 ILE 24 HG1 ILE 24 -7.004 4.301 -4.958 168 1HG2 ILE 24 HG2 ILE 24 -3.253 3.821 -3.741 169 2HG2 ILE 24 HG2 ILE 24 -4.333 5.198 -3.961 170 3HG2 ILE 24 HG2 ILE 24 -3.451 4.540 -5.339 171 1HD1 ILE 24 HD1 ILE 24 -8.014 3.385 -2.835 172 2HD1 ILE 24 HD1 ILE 24 -6.624 2.302 -2.758 173 3HD1 ILE 24 HD1 ILE 24 -7.726 2.227 -4.134 174 H VAL 25 HN VAL 25 -3.422 3.979 -7.748 175 HA VAL 25 HA VAL 25 -2.040 1.412 -8.002 176 HB VAL 25 HB VAL 25 -0.856 3.566 -9.534 177 1HG1 VAL 25 HG1 VAL 25 -1.739 1.800 -11.348 178 2HG1 VAL 25 HG1 VAL 25 -1.797 0.791 -9.903 179 3HG1 VAL 25 HG1 VAL 25 -0.281 1.553 -10.385 180 1HG2 VAL 25 HG2 VAL 25 -3.622 2.891 -10.451 181 2HG2 VAL 25 HG2 VAL 25 -2.592 4.249 -10.902 182 3HG2 VAL 25 HG2 VAL 25 -3.368 4.219 -9.318 183 HA PRO 26 HA PRO 26 1.541 4.335 -6.579 184 1HB PRO 26 HB2 PRO 26 0.844 6.699 -5.435 185 2HB PRO 26 HB1 PRO 26 1.183 6.527 -7.161 186 1HG PRO 26 HG1 PRO 26 -1.455 6.599 -5.746 187 2HG PRO 26 HG2 PRO 26 -0.968 7.411 -7.246 188 1HD PRO 26 HD2 PRO 26 -2.422 5.135 -7.247 189 2HD PRO 26 HD1 PRO 26 -1.234 5.500 -8.515 190 H ASP 27 HN ASP 27 2.131 3.203 -4.857 191 HA ASP 27 HA ASP 27 2.166 2.240 -2.820 192 1HB ASP 27 HB1 ASP 27 1.962 3.772 -0.911 193 2HB ASP 27 HB2 ASP 27 2.929 4.460 -2.211 194 H TYR 28 HN TYR 28 0.599 0.705 -3.155 195 HA TYR 28 HA TYR 28 -2.082 1.323 -2.092 196 1HB TYR 28 HB1 TYR 28 -1.879 0.261 -4.370 197 2HB TYR 28 HB2 TYR 28 -1.234 -1.171 -3.575 198 HD1 TYR 28 HD1 TYR 28 -4.226 1.006 -3.803 199 HD2 TYR 28 HD2 TYR 28 -2.670 -2.770 -2.608 200 HE1 TYR 28 HE1 TYR 28 -6.515 0.184 -3.439 201 HE2 TYR 28 HE2 TYR 28 -4.956 -3.601 -2.240 202 HH TYR 28 HH TYR 28 -7.447 -2.704 -3.389 203 H ARG 29 HN ARG 29 -2.994 0.075 -0.425 204 HA ARG 29 HA ARG 29 -0.963 -1.234 1.222 205 1HB ARG 29 HB2 ARG 29 -3.675 -0.202 2.059 206 2HB ARG 29 HB1 ARG 29 -2.377 -0.730 3.121 207 1HG ARG 29 HG1 ARG 29 -1.234 1.205 2.915 208 2HG ARG 29 HG2 ARG 29 -1.721 1.443 1.235 209 1HD ARG 29 HD1 ARG 29 -4.088 1.811 2.321 210 2HD ARG 29 HD2 ARG 29 -3.129 2.197 3.750 211 HE ARG 29 HE ARG 29 -2.478 4.154 2.749 212 1HH1 ARG 29 HH1 ARG 29 -3.922 2.068 0.358 213 2HH1 ARG 29 HH1 ARG 29 -3.953 3.288 -0.872 214 1HH2 ARG 29 HH2 ARG 29 -2.517 5.763 1.135 215 2HH2 ARG 29 HH2 ARG 29 -3.154 5.386 -0.431 216 H LEU 30 HN LEU 30 -1.082 -3.239 1.945 217 HA LEU 30 HA LEU 30 -3.546 -4.787 1.592 218 1HB LEU 30 HB1 LEU 30 -1.858 -5.211 -0.279 219 2HB LEU 30 HB2 LEU 30 -0.823 -5.916 0.944 220 HG LEU 30 HG LEU 30 -2.317 -7.457 -0.531 221 1HD1 LEU 30 HD2 LEU 30 -2.308 -7.838 2.461 222 2HD1 LEU 30 HD2 LEU 30 -0.930 -8.149 1.405 223 3HD1 LEU 30 HD2 LEU 30 -2.409 -9.093 1.226 224 1HD2 LEU 30 HD1 LEU 30 -4.296 -6.454 1.509 225 2HD2 LEU 30 HD1 LEU 30 -4.499 -7.947 0.593 226 3HD2 LEU 30 HD1 LEU 30 -4.433 -6.398 -0.248 227 H ASP 31 HN ASP 31 -3.763 -4.395 3.873 228 HA ASP 31 HA ASP 31 -1.730 -5.640 5.572 229 1HB ASP 31 HB2 ASP 31 -3.032 -3.230 5.788 230 2HB ASP 31 HB1 ASP 31 -3.937 -4.244 6.907 231 H MET 32 HN MET 32 -2.695 -7.756 4.708 232 HA MET 32 HA MET 32 -4.678 -8.647 6.662 233 1HB MET 32 HB2 MET 32 -4.837 -9.033 3.682 234 2HB MET 32 HB1 MET 32 -5.663 -10.112 4.797 235 1HG MET 32 HG1 MET 32 -7.362 -8.681 4.545 236 2HG MET 32 HG2 MET 32 -6.483 -7.716 5.730 237 1HE MET 32 HE1 MET 32 -8.399 -6.577 2.422 238 2HE MET 32 HE2 MET 32 -7.915 -8.266 2.579 239 3HE MET 32 HE3 MET 32 -7.155 -7.241 1.362 240 H VAL 33 HN VAL 33 -4.095 -10.915 4.254 241 HA VAL 33 HA VAL 33 -1.823 -12.109 5.677 242 HB VAL 33 HB VAL 33 -4.178 -13.766 4.782 243 1HG1 VAL 33 HG1 VAL 33 -1.880 -14.316 6.653 244 2HG1 VAL 33 HG1 VAL 33 -2.085 -14.962 5.026 245 3HG1 VAL 33 HG1 VAL 33 -3.203 -15.429 6.307 246 1HG2 VAL 33 HG2 VAL 33 -3.985 -12.052 7.105 247 2HG2 VAL 33 HG2 VAL 33 -4.208 -13.742 7.556 248 3HG2 VAL 33 HG2 VAL 33 -5.365 -12.956 6.481 249 H GLY 34 HN GLY 34 -0.571 -13.569 4.411 250 1HA GLY 34 HA2 GLY 34 -0.289 -12.861 1.695 251 2HA GLY 34 HA1 GLY 34 0.477 -14.236 2.476 252 H GLU 35 HN GLU 35 -2.601 -14.784 3.140 253 HA GLU 35 HA GLU 35 -2.918 -16.864 1.263 254 1HB GLU 35 HB1 GLU 35 -4.777 -17.439 2.475 255 2HB GLU 35 HB2 GLU 35 -3.983 -16.407 3.656 256 1HG GLU 35 HG2 GLU 35 -5.402 -14.516 2.629 257 2HG GLU 35 HG1 GLU 35 -6.369 -15.827 1.954 258 HA PRO 36 HA PRO 36 -4.809 -15.039 -2.280 259 1HB PRO 36 HB2 PRO 36 -7.047 -16.970 -2.055 260 2HB PRO 36 HB1 PRO 36 -5.929 -16.694 -3.394 261 1HG PRO 36 HG2 PRO 36 -5.715 -18.863 -1.856 262 2HG PRO 36 HG1 PRO 36 -4.275 -18.023 -2.459 263 1HD PRO 36 HD2 PRO 36 -5.511 -17.951 0.264 264 2HD PRO 36 HD1 PRO 36 -3.796 -17.980 -0.196 265 H CYS 37 HN CYS 37 -5.401 -13.075 -1.232 266 HA CYS 37 HA CYS 37 -7.974 -12.839 0.046 267 1HB CYS 37 HB1 CYS 37 -5.614 -11.121 -0.393 268 2HB CYS 37 HB2 CYS 37 -7.155 -10.269 -0.361 269 HG CYS 37 HG CYS 37 -7.197 -11.895 2.050 270 HA PRO 38 HA PRO 38 -10.581 -11.749 -3.328 271 1HB PRO 38 HB2 PRO 38 -11.344 -9.259 -1.906 272 2HB PRO 38 HB1 PRO 38 -12.361 -10.582 -2.484 273 1HG PRO 38 HG2 PRO 38 -11.847 -10.293 0.114 274 2HG PRO 38 HG1 PRO 38 -11.923 -11.903 -0.627 275 1HD PRO 38 HD1 PRO 38 -9.530 -10.287 0.163 276 2HD PRO 38 HD2 PRO 38 -9.813 -12.033 0.320 277 H TYR 39 HN TYR 39 -9.144 -8.753 -2.001 278 HA TYR 39 HA TYR 39 -8.285 -8.055 -4.725 279 1HB TYR 39 HB2 TYR 39 -8.799 -5.600 -3.842 280 2HB TYR 39 HB1 TYR 39 -10.041 -6.580 -4.614 281 HD1 TYR 39 HD1 TYR 39 -12.053 -6.981 -3.515 282 HD2 TYR 39 HD2 TYR 39 -8.678 -5.711 -1.256 283 HE1 TYR 39 HE1 TYR 39 -13.477 -6.761 -1.521 284 HE2 TYR 39 HE2 TYR 39 -10.093 -5.488 0.743 285 HH TYR 39 HH TYR 39 -13.318 -5.300 0.703 286 HA PRO 40 HA PRO 40 -4.858 -7.318 -1.704 287 1HB PRO 40 HB2 PRO 40 -3.329 -9.461 -2.070 288 2HB PRO 40 HB1 PRO 40 -4.804 -9.565 -1.101 289 1HG PRO 40 HG1 PRO 40 -4.292 -10.498 -3.887 290 2HG PRO 40 HG2 PRO 40 -5.306 -11.223 -2.628 291 1HD PRO 40 HD2 PRO 40 -6.173 -9.576 -4.752 292 2HD PRO 40 HD1 PRO 40 -7.128 -10.082 -3.345 293 H ALA 41 HN ALA 41 -2.772 -9.142 -3.541 294 HA ALA 41 HA ALA 41 -1.301 -7.001 -4.544 295 1HB ALA 41 HB1 ALA 41 -0.687 -9.517 -4.194 296 2HB ALA 41 HB2 ALA 41 0.136 -8.556 -5.424 297 3HB ALA 41 HB3 ALA 41 -1.161 -9.656 -5.888 298 H VAL 42 HN VAL 42 -4.266 -8.002 -5.625 299 HA VAL 42 HA VAL 42 -4.203 -8.092 -8.366 300 HB VAL 42 HB VAL 42 -6.235 -8.274 -6.877 301 1HG1 VAL 42 HG2 VAL 42 -6.195 -5.270 -7.109 302 2HG1 VAL 42 HG2 VAL 42 -5.967 -6.205 -5.631 303 3HG1 VAL 42 HG2 VAL 42 -7.522 -6.235 -6.461 304 1HG2 VAL 42 HG1 VAL 42 -7.284 -8.331 -8.829 305 2HG2 VAL 42 HG1 VAL 42 -5.982 -7.395 -9.560 306 3HG2 VAL 42 HG1 VAL 42 -7.366 -6.570 -8.844 307 H ALA 43 HN ALA 43 -3.796 -5.337 -6.262 308 HA ALA 43 HA ALA 43 -3.972 -3.348 -8.320 309 1HB ALA 43 HB1 ALA 43 -3.719 -1.819 -6.666 310 2HB ALA 43 HB2 ALA 43 -2.484 -2.761 -5.830 311 3HB ALA 43 HB3 ALA 43 -4.186 -3.197 -5.668 312 H THR 44 HN THR 44 -1.365 -5.097 -6.719 313 HA THR 44 HA THR 44 0.823 -3.676 -7.639 314 HB THR 44 HB THR 44 0.822 -6.674 -7.379 315 HG1 THR 44 HG1 THR 44 -0.158 -6.145 -5.537 316 1HG2 THR 44 HG2 THR 44 2.923 -5.286 -6.018 317 2HG2 THR 44 HG2 THR 44 2.875 -4.820 -7.719 318 3HG2 THR 44 HG2 THR 44 3.019 -6.521 -7.274 319 H LEU 45 HN LEU 45 -0.595 -6.595 -9.131 320 HA LEU 45 HA LEU 45 1.082 -6.690 -11.349 321 1HB LEU 45 HB1 LEU 45 -1.786 -7.581 -11.067 322 2HB LEU 45 HB2 LEU 45 -0.762 -7.984 -12.431 323 HG LEU 45 HG LEU 45 -0.232 -8.784 -9.567 324 1HD1 LEU 45 HD1 LEU 45 -0.813 -10.795 -11.646 325 2HD1 LEU 45 HD1 LEU 45 -2.175 -9.814 -11.104 326 3HD1 LEU 45 HD1 LEU 45 -1.253 -10.762 -9.937 327 1HD2 LEU 45 HD2 LEU 45 1.868 -8.810 -10.455 328 2HD2 LEU 45 HD2 LEU 45 1.292 -9.071 -12.101 329 3HD2 LEU 45 HD2 LEU 45 1.318 -10.410 -10.954 330 H GLU 46 HN GLU 46 -2.170 -5.243 -11.116 331 HA GLU 46 HA GLU 46 -2.128 -4.187 -13.745 332 1HB GLU 46 HB1 GLU 46 -4.139 -3.008 -13.128 333 2HB GLU 46 HB2 GLU 46 -4.199 -4.626 -12.445 334 1HG GLU 46 HG2 GLU 46 -3.881 -3.865 -10.281 335 2HG GLU 46 HG1 GLU 46 -3.200 -2.330 -10.815 336 H ALA 47 HN ALA 47 -0.498 -3.247 -10.959 337 HA ALA 47 HA ALA 47 -0.527 -0.417 -11.326 338 1HB ALA 47 HB1 ALA 47 1.387 -0.437 -9.736 339 2HB ALA 47 HB2 ALA 47 1.329 -2.199 -9.762 340 3HB ALA 47 HB3 ALA 47 -0.046 -1.280 -9.149 341 H MET 48 HN MET 48 1.650 -3.018 -12.329 342 HA MET 48 HA MET 48 3.785 -1.512 -13.225 343 1HB MET 48 HB2 MET 48 2.747 -4.015 -14.559 344 2HB MET 48 HB1 MET 48 4.387 -3.388 -14.632 345 1HG MET 48 HG2 MET 48 4.692 -3.804 -12.272 346 2HG MET 48 HG1 MET 48 3.018 -4.339 -12.127 347 1HE MET 48 HE1 MET 48 2.909 -7.829 -13.458 348 2HE MET 48 HE2 MET 48 2.342 -6.411 -14.341 349 3HE MET 48 HE3 MET 48 2.136 -6.502 -12.592 350 HA PRO 49 HA PRO 49 1.747 -1.032 -17.569 351 1HB PRO 49 HB2 PRO 49 -0.939 -1.389 -17.740 352 2HB PRO 49 HB1 PRO 49 0.222 -2.688 -18.039 353 1HG PRO 49 HG1 PRO 49 -1.372 -2.100 -15.574 354 2HG PRO 49 HG2 PRO 49 -1.050 -3.661 -16.353 355 1HD PRO 49 HD2 PRO 49 0.309 -2.813 -14.168 356 2HD PRO 49 HD1 PRO 49 1.048 -3.837 -15.414 357 H GLN 50 HN GLN 50 -0.712 -0.440 -15.060 358 HA GLN 50 HA GLN 50 -1.274 2.208 -15.976 359 1HB GLN 50 HB2 GLN 50 -2.014 0.785 -13.415 360 2HB GLN 50 HB1 GLN 50 -2.633 2.359 -13.893 361 1HG GLN 50 HG1 GLN 50 -3.571 1.299 -15.936 362 2HG GLN 50 HG2 GLN 50 -3.073 -0.266 -15.293 363 1HE2 GLN 50 HE2 GLN 50 -5.591 -0.211 -15.786 364 2HE2 GLN 50 HE2 GLN 50 -6.563 0.034 -14.378 365 H LEU 51 HN LEU 51 1.544 1.414 -14.985 366 HA LEU 51 HA LEU 51 2.212 2.650 -12.629 367 1HB LEU 51 HB1 LEU 51 4.418 2.633 -13.332 368 2HB LEU 51 HB2 LEU 51 3.691 1.369 -14.297 369 HG LEU 51 HG LEU 51 3.647 3.982 -15.611 370 1HD1 LEU 51 HD1 LEU 51 6.192 2.870 -14.551 371 2HD1 LEU 51 HD1 LEU 51 5.699 4.547 -14.788 372 3HD1 LEU 51 HD1 LEU 51 6.187 3.569 -16.171 373 1HD2 LEU 51 HD2 LEU 51 4.659 1.251 -16.386 374 2HD2 LEU 51 HD2 LEU 51 4.554 2.640 -17.468 375 3HD2 LEU 51 HD2 LEU 51 3.087 1.946 -16.778 376 H LYS 52 HN LYS 52 3.770 4.659 -12.635 377 HA LYS 52 HA LYS 52 2.735 6.866 -14.225 378 1HB LYS 52 HB2 LYS 52 2.249 6.518 -11.302 379 2HB LYS 52 HB1 LYS 52 2.577 8.138 -11.898 380 1HG LYS 52 HG1 LYS 52 0.491 6.448 -13.210 381 2HG LYS 52 HG2 LYS 52 0.134 7.315 -11.715 382 1HD LYS 52 HD2 LYS 52 1.084 9.375 -12.933 383 2HD LYS 52 HD1 LYS 52 0.872 8.421 -14.402 384 1HE LYS 52 HE1 LYS 52 -1.499 8.142 -13.883 385 2HE LYS 52 HE2 LYS 52 -1.291 9.088 -12.410 386 1HZ LYS 52 HZ1 LYS 52 -0.278 10.657 -14.423 387 2HZ LYS 52 HZ2 LYS 52 -1.761 10.859 -13.636 388 3HZ LYS 52 HZ3 LYS 52 -1.684 9.984 -15.081 389 H LYS 53 HN LYS 53 3.878 8.705 -12.086 390 HA LYS 53 HA LYS 53 6.577 8.683 -13.119 391 1HB LYS 53 HB2 LYS 53 5.754 10.621 -11.017 392 2HB LYS 53 HB1 LYS 53 6.707 10.879 -12.472 393 1HG LYS 53 HG1 LYS 53 4.908 11.829 -13.351 394 2HG LYS 53 HG2 LYS 53 4.189 10.219 -13.420 395 1HD LYS 53 HD2 LYS 53 3.326 10.574 -11.112 396 2HD LYS 53 HD1 LYS 53 3.926 12.232 -11.191 397 1HE LYS 53 HE2 LYS 53 1.950 11.044 -13.132 398 2HE LYS 53 HE1 LYS 53 1.502 11.997 -11.717 399 1HZ LYS 53 HZ1 LYS 53 1.847 13.068 -14.096 400 2HZ LYS 53 HZ2 LYS 53 3.444 13.175 -13.548 401 3HZ LYS 53 HZ3 LYS 53 2.198 13.910 -12.671 402 H GLY 54 HN GLY 54 5.691 6.565 -11.230 403 1HA GLY 54 HA2 GLY 54 7.587 5.574 -9.916 404 2HA GLY 54 HA1 GLY 54 7.609 7.102 -9.049 405 H GLU 55 HN GLU 55 5.760 4.169 -9.648 406 HA GLU 55 HA GLU 55 3.757 4.759 -7.684 407 1HB GLU 55 HB2 GLU 55 3.366 2.193 -7.936 408 2HB GLU 55 HB1 GLU 55 2.950 3.271 -9.261 409 1HG GLU 55 HG1 GLU 55 5.293 2.741 -10.158 410 2HG GLU 55 HG2 GLU 55 5.271 1.400 -9.014 411 H ILE 56 HN ILE 56 3.402 2.764 -6.058 412 HA ILE 56 HA ILE 56 5.788 1.845 -4.779 413 HB ILE 56 HB ILE 56 4.509 3.156 -2.635 414 1HG1 ILE 56 HG1 ILE 56 5.220 5.076 -4.861 415 2HG1 ILE 56 HG1 ILE 56 3.586 4.736 -4.300 416 1HG2 ILE 56 HG2 ILE 56 7.161 3.484 -3.993 417 2HG2 ILE 56 HG2 ILE 56 6.782 2.569 -2.532 418 3HG2 ILE 56 HG2 ILE 56 6.733 4.333 -2.507 419 1HD1 ILE 56 HD1 ILE 56 3.914 6.571 -3.061 420 2HD1 ILE 56 HD1 ILE 56 5.670 6.434 -3.132 421 3HD1 ILE 56 HD1 ILE 56 4.755 5.456 -1.983 422 H LEU 57 HN LEU 57 5.038 1.012 -2.421 423 HA LEU 57 HA LEU 57 2.315 0.068 -2.356 424 1HB LEU 57 HB2 LEU 57 3.966 -1.487 -3.788 425 2HB LEU 57 HB1 LEU 57 4.273 -2.142 -2.209 426 HG LEU 57 HG LEU 57 2.003 -2.814 -1.945 427 1HD1 LEU 57 HD2 LEU 57 0.465 -1.406 -2.751 428 2HD1 LEU 57 HD2 LEU 57 0.618 -2.334 -4.244 429 3HD1 LEU 57 HD2 LEU 57 1.525 -0.836 -4.042 430 1HD2 LEU 57 HD1 LEU 57 3.137 -4.447 -3.157 431 2HD2 LEU 57 HD1 LEU 57 3.192 -3.460 -4.618 432 3HD2 LEU 57 HD1 LEU 57 1.666 -4.173 -4.093 433 H GLU 58 HN GLU 58 1.789 -1.040 -0.440 434 HA GLU 58 HA GLU 58 3.812 -1.317 1.545 435 1HB GLU 58 HB1 GLU 58 1.513 0.137 2.681 436 2HB GLU 58 HB2 GLU 58 3.228 0.328 3.010 437 1HG GLU 58 HG1 GLU 58 3.484 1.974 1.486 438 2HG GLU 58 HG2 GLU 58 2.280 1.304 0.384 439 H VAL 59 HN VAL 59 3.458 -3.400 1.833 440 HA VAL 59 HA VAL 59 0.708 -4.277 2.417 441 HB VAL 59 HB VAL 59 1.279 -5.276 0.409 442 1HG1 VAL 59 HG2 VAL 59 4.008 -5.575 1.581 443 2HG1 VAL 59 HG2 VAL 59 3.516 -4.820 0.065 444 3HG1 VAL 59 HG2 VAL 59 3.497 -6.577 0.221 445 1HG2 VAL 59 HG1 VAL 59 1.694 -7.699 0.982 446 2HG2 VAL 59 HG1 VAL 59 0.350 -6.936 1.832 447 3HG2 VAL 59 HG1 VAL 59 1.889 -7.185 2.657 448 H VAL 60 HN VAL 60 0.318 -5.278 4.282 449 HA VAL 60 HA VAL 60 2.557 -6.374 5.837 450 HB VAL 60 HB VAL 60 0.296 -4.855 7.126 451 1HG1 VAL 60 HG2 VAL 60 2.215 -4.773 8.926 452 2HG1 VAL 60 HG2 VAL 60 2.779 -6.203 8.061 453 3HG1 VAL 60 HG2 VAL 60 1.166 -6.182 8.776 454 1HG2 VAL 60 HG1 VAL 60 3.020 -3.687 7.015 455 2HG2 VAL 60 HG1 VAL 60 1.448 -2.892 7.093 456 3HG2 VAL 60 HG1 VAL 60 2.018 -3.569 5.568 457 H SER 61 HN SER 61 2.157 -8.494 5.961 458 HA SER 61 HA SER 61 -0.509 -9.358 6.789 459 1HB SER 61 HB2 SER 61 0.314 -11.287 4.915 460 2HB SER 61 HB1 SER 61 -1.017 -10.141 4.750 461 HG SER 61 HG SER 61 0.135 -9.002 3.405 462 H ASP 62 HN ASP 62 -0.434 -11.876 7.064 463 HA ASP 62 HA ASP 62 2.077 -12.518 8.476 464 1HB ASP 62 HB2 ASP 62 0.756 -13.845 10.048 465 2HB ASP 62 HB1 ASP 62 0.173 -12.184 10.009 466 H CYS 63 HN CYS 63 3.118 -14.327 7.915 467 HA CYS 63 HA CYS 63 1.771 -16.570 6.729 468 1HB CYS 63 HB1 CYS 63 2.557 -14.604 4.960 469 2HB CYS 63 HB2 CYS 63 3.912 -15.728 4.918 470 HG CYS 63 HG CYS 63 1.543 -17.395 4.537 471 HA PRO 64 HA PRO 64 5.274 -18.347 8.838 472 1HB PRO 64 HB2 PRO 64 4.753 -20.942 8.307 473 2HB PRO 64 HB1 PRO 64 3.814 -20.011 9.480 474 1HG PRO 64 HG2 PRO 64 3.159 -20.699 6.639 475 2HG PRO 64 HG1 PRO 64 2.109 -20.729 8.068 476 1HD PRO 64 HD2 PRO 64 2.106 -18.694 6.261 477 2HD PRO 64 HD1 PRO 64 1.710 -18.468 7.976 478 H GLN 65 HN GLN 65 4.571 -18.660 5.472 479 HA GLN 65 HA GLN 65 7.168 -19.897 4.923 480 1HB GLN 65 HB2 GLN 65 5.154 -19.195 2.813 481 2HB GLN 65 HB1 GLN 65 6.359 -20.475 2.810 482 1HG GLN 65 HG1 GLN 65 4.509 -20.861 4.969 483 2HG GLN 65 HG2 GLN 65 3.646 -20.679 3.442 484 1HE2 GLN 65 HE2 GLN 65 6.402 -22.383 4.874 485 2HE2 GLN 65 HE2 GLN 65 6.185 -23.845 3.979 486 H SER 66 HN SER 66 8.572 -18.988 3.301 487 HA SER 66 HA SER 66 8.929 -16.179 3.626 488 1HB SER 66 HB2 SER 66 10.503 -17.136 1.447 489 2HB SER 66 HB1 SER 66 11.027 -16.752 3.087 490 HG SER 66 HG SER 66 10.570 -18.869 3.689 491 H ILE 67 HN ILE 67 7.793 -18.240 0.991 492 HA ILE 67 HA ILE 67 7.611 -16.218 -0.973 493 HB ILE 67 HB ILE 67 5.843 -18.652 -0.852 494 1HG1 ILE 67 HG1 ILE 67 8.136 -19.123 -2.469 495 2HG1 ILE 67 HG1 ILE 67 8.704 -18.567 -0.897 496 1HG2 ILE 67 HG2 ILE 67 7.008 -17.143 -3.187 497 2HG2 ILE 67 HG2 ILE 67 5.362 -16.965 -2.580 498 3HG2 ILE 67 HG2 ILE 67 5.887 -18.503 -3.265 499 1HD1 ILE 67 HD1 ILE 67 6.878 -20.899 -1.418 500 2HD1 ILE 67 HD1 ILE 67 7.357 -20.319 0.178 501 3HD1 ILE 67 HD1 ILE 67 8.571 -20.967 -0.925 502 H ASN 68 HN ASN 68 6.441 -14.423 -0.698 503 HA ASN 68 HA ASN 68 3.832 -14.622 0.629 504 1HB ASN 68 HB1 ASN 68 4.841 -11.946 -0.057 505 2HB ASN 68 HB2 ASN 68 4.156 -12.543 1.450 506 1HD2 ASN 68 HD2 ASN 68 7.063 -12.323 -0.481 507 2HD2 ASN 68 HD2 ASN 68 8.173 -12.585 0.816 508 H ASN 69 HN ASN 69 2.102 -13.178 -0.237 509 HA ASN 69 HA ASN 69 1.630 -13.861 -2.951 510 1HB ASN 69 HB2 ASN 69 -0.015 -13.514 -0.918 511 2HB ASN 69 HB1 ASN 69 -0.077 -11.864 -1.530 512 1HD2 ASN 69 HD2 ASN 69 -1.768 -14.537 -1.541 513 2HD2 ASN 69 HD2 ASN 69 -2.456 -14.507 -3.125 514 H ILE 70 HN ILE 70 1.194 -10.610 -1.599 515 HA ILE 70 HA ILE 70 1.108 -9.225 -3.902 516 HB ILE 70 HB ILE 70 2.617 -7.913 -1.691 517 1HG1 ILE 70 HG1 ILE 70 0.987 -9.184 -0.448 518 2HG1 ILE 70 HG1 ILE 70 0.421 -7.514 -0.529 519 1HG2 ILE 70 HG2 ILE 70 0.372 -7.061 -3.517 520 2HG2 ILE 70 HG2 ILE 70 2.072 -6.609 -3.649 521 3HG2 ILE 70 HG2 ILE 70 1.115 -6.046 -2.281 522 1HD1 ILE 70 HD1 ILE 70 -0.583 -9.869 -2.113 523 2HD1 ILE 70 HD1 ILE 70 -1.051 -8.197 -2.426 524 3HD1 ILE 70 HD1 ILE 70 -1.442 -8.947 -0.879 525 HA PRO 71 HA PRO 71 5.888 -8.344 -4.010 526 1HB PRO 71 HB2 PRO 71 7.440 -10.293 -2.849 527 2HB PRO 71 HB1 PRO 71 7.010 -8.763 -2.079 528 1HG PRO 71 HG1 PRO 71 5.775 -11.466 -1.751 529 2HG PRO 71 HG2 PRO 71 6.136 -10.241 -0.520 530 1HD PRO 71 HD2 PRO 71 3.647 -10.602 -1.457 531 2HD PRO 71 HD1 PRO 71 4.256 -8.987 -1.037 532 H LEU 72 HN LEU 72 4.917 -11.767 -3.893 533 HA LEU 72 HA LEU 72 6.650 -12.631 -5.948 534 1HB LEU 72 HB1 LEU 72 5.355 -14.029 -4.230 535 2HB LEU 72 HB2 LEU 72 3.992 -13.891 -5.324 536 HG LEU 72 HG LEU 72 5.759 -14.813 -7.078 537 1HD1 LEU 72 HD1 LEU 72 7.064 -16.629 -5.788 538 2HD1 LEU 72 HD1 LEU 72 6.857 -15.563 -4.398 539 3HD1 LEU 72 HD1 LEU 72 7.706 -14.987 -5.831 540 1HD2 LEU 72 HD2 LEU 72 3.617 -15.847 -5.648 541 2HD2 LEU 72 HD2 LEU 72 4.896 -17.046 -5.460 542 3HD2 LEU 72 HD2 LEU 72 4.379 -16.555 -7.073 543 H ASP 73 HN ASP 73 3.666 -10.925 -6.009 544 HA ASP 73 HA ASP 73 2.823 -11.678 -8.617 545 1HB ASP 73 HB2 ASP 73 2.063 -9.607 -6.629 546 2HB ASP 73 HB1 ASP 73 1.637 -9.286 -8.308 547 H ALA 74 HN ALA 74 4.292 -8.652 -7.426 548 HA ALA 74 HA ALA 74 4.747 -7.527 -9.958 549 1HB ALA 74 HB1 ALA 74 4.802 -6.207 -7.918 550 2HB ALA 74 HB2 ALA 74 6.312 -6.031 -8.810 551 3HB ALA 74 HB3 ALA 74 6.248 -7.065 -7.383 552 H ARG 75 HN ARG 75 6.775 -9.577 -7.912 553 HA ARG 75 HA ARG 75 9.097 -9.483 -9.495 554 1HB ARG 75 HB1 ARG 75 9.228 -10.303 -7.241 555 2HB ARG 75 HB2 ARG 75 8.060 -11.574 -7.576 556 1HG ARG 75 HG2 ARG 75 9.593 -12.849 -8.759 557 2HG ARG 75 HG1 ARG 75 10.652 -11.470 -9.065 558 1HD ARG 75 HD1 ARG 75 11.790 -11.815 -7.181 559 2HD ARG 75 HD2 ARG 75 10.313 -11.956 -6.231 560 HE ARG 75 HE ARG 75 10.499 -14.235 -6.345 561 1HH1 ARG 75 HH2 ARG 75 12.584 -12.803 -8.740 562 2HH1 ARG 75 HH2 ARG 75 13.347 -14.300 -9.158 563 1HH2 ARG 75 HH1 ARG 75 11.497 -16.211 -6.888 564 2HH2 ARG 75 HH1 ARG 75 12.729 -16.239 -8.105 565 H ASN 76 HN ASN 76 6.175 -11.389 -9.736 566 HA ASN 76 HA ASN 76 7.048 -13.430 -11.419 567 1HB ASN 76 HB2 ASN 76 4.652 -12.747 -10.312 568 2HB ASN 76 HB1 ASN 76 4.359 -12.372 -12.007 569 1HD2 ASN 76 HD2 ASN 76 3.971 -14.682 -9.795 570 2HD2 ASN 76 HD2 ASN 76 4.030 -16.091 -10.792 571 H HIS 77 HN HIS 77 5.217 -10.556 -12.486 572 HA HIS 77 HA HIS 77 6.010 -10.905 -15.206 573 1HB HIS 77 HB1 HIS 77 4.275 -9.101 -13.691 574 2HB HIS 77 HB2 HIS 77 5.111 -8.301 -15.019 575 HD2 HIS 77 HD2 HIS 77 1.809 -9.391 -14.745 576 HE1 HIS 77 HE1 HIS 77 3.015 -11.311 -18.320 577 HE2 HIS 77 HE2 HIS 77 1.033 -10.593 -16.910 578 H GLY 78 HN GLY 78 6.639 -8.181 -12.975 579 1HA GLY 78 HA1 GLY 78 9.326 -8.026 -13.026 580 2HA GLY 78 HA2 GLY 78 8.893 -7.341 -14.583 581 H TYR 79 HN TYR 79 9.253 -6.789 -11.267 582 HA TYR 79 HA TYR 79 7.688 -4.344 -11.214 583 1HB TYR 79 HB1 TYR 79 8.418 -4.248 -8.850 584 2HB TYR 79 HB2 TYR 79 7.714 -5.814 -9.251 585 HD1 TYR 79 HD1 TYR 79 10.810 -4.041 -8.405 586 HD2 TYR 79 HD2 TYR 79 9.093 -7.814 -9.355 587 HE1 TYR 79 HE1 TYR 79 12.854 -5.162 -7.621 588 HE2 TYR 79 HE2 TYR 79 11.131 -8.946 -8.572 589 HH TYR 79 HH TYR 79 13.518 -7.388 -6.761 590 H THR 80 HN THR 80 9.236 -2.831 -9.498 591 HA THR 80 HA THR 80 11.564 -2.086 -11.143 592 HB THR 80 HB THR 80 10.121 -0.164 -9.334 593 HG1 THR 80 HG1 THR 80 9.368 -1.037 -11.889 594 1HG2 THR 80 HG2 THR 80 12.090 0.811 -10.064 595 2HG2 THR 80 HG2 THR 80 10.878 1.421 -11.190 596 3HG2 THR 80 HG2 THR 80 11.953 0.111 -11.678 597 H VAL 81 HN VAL 81 10.215 -1.840 -7.859 598 HA VAL 81 HA VAL 81 12.771 -2.760 -6.770 599 HB VAL 81 HB VAL 81 11.308 -0.407 -5.574 600 1HG1 VAL 81 HG1 VAL 81 14.089 -1.405 -5.004 601 2HG1 VAL 81 HG1 VAL 81 12.671 -1.913 -4.085 602 3HG1 VAL 81 HG1 VAL 81 13.153 -0.217 -4.097 603 1HG2 VAL 81 HG2 VAL 81 13.582 -0.517 -7.514 604 2HG2 VAL 81 HG2 VAL 81 13.474 0.797 -6.342 605 3HG2 VAL 81 HG2 VAL 81 12.170 0.540 -7.502 606 H LEU 82 HN LEU 82 12.272 -4.549 -5.686 607 HA LEU 82 HA LEU 82 9.796 -4.613 -4.089 608 1HB LEU 82 HB2 LEU 82 10.790 -6.425 -6.130 609 2HB LEU 82 HB1 LEU 82 10.523 -7.260 -4.616 610 HG LEU 82 HG LEU 82 8.601 -7.278 -6.272 611 1HD1 LEU 82 HD1 LEU 82 8.477 -7.693 -3.768 612 2HD1 LEU 82 HD1 LEU 82 6.977 -7.231 -4.572 613 3HD1 LEU 82 HD1 LEU 82 7.876 -6.042 -3.629 614 1HD2 LEU 82 HD2 LEU 82 9.021 -4.474 -6.135 615 2HD2 LEU 82 HD2 LEU 82 7.425 -4.827 -5.475 616 3HD2 LEU 82 HD2 LEU 82 7.846 -5.371 -7.097 617 H ASP 83 HN ASP 83 10.514 -4.264 -2.054 618 HA ASP 83 HA ASP 83 12.630 -6.052 -1.051 619 1HB ASP 83 HB2 ASP 83 12.126 -3.346 0.153 620 2HB ASP 83 HB1 ASP 83 13.571 -4.349 0.251 621 H ILE 84 HN ILE 84 12.402 -6.780 1.120 622 HA ILE 84 HA ILE 84 9.773 -6.312 2.341 623 HB ILE 84 HB ILE 84 9.389 -8.624 2.769 624 1HG1 ILE 84 HG1 ILE 84 11.964 -9.273 1.321 625 2HG1 ILE 84 HG1 ILE 84 11.831 -9.190 3.075 626 1HG2 ILE 84 HG2 ILE 84 8.756 -7.730 0.541 627 2HG2 ILE 84 HG2 ILE 84 9.014 -9.474 0.563 628 3HG2 ILE 84 HG2 ILE 84 10.249 -8.408 -0.109 629 1HD1 ILE 84 HD1 ILE 84 10.603 -11.164 1.196 630 2HD1 ILE 84 HD1 ILE 84 9.978 -10.931 2.829 631 3HD1 ILE 84 HD1 ILE 84 11.646 -11.453 2.589 632 H GLN 85 HN GLN 85 9.664 -7.140 4.600 633 HA GLN 85 HA GLN 85 12.164 -7.522 5.990 634 1HB GLN 85 HB1 GLN 85 11.459 -4.930 5.654 635 2HB GLN 85 HB2 GLN 85 10.597 -5.293 7.143 636 1HG GLN 85 HG2 GLN 85 12.545 -5.712 8.321 637 2HG GLN 85 HG1 GLN 85 13.486 -6.001 6.858 638 1HE2 GLN 85 HE2 GLN 85 12.922 -3.819 5.351 639 2HE2 GLN 85 HE2 GLN 85 13.505 -2.391 6.129 640 H GLN 86 HN GLN 86 11.835 -8.014 8.285 641 HA GLN 86 HA GLN 86 9.088 -8.903 8.871 642 1HB GLN 86 HB1 GLN 86 11.093 -10.621 8.313 643 2HB GLN 86 HB2 GLN 86 11.335 -10.438 10.044 644 1HG GLN 86 HG2 GLN 86 9.190 -11.274 10.535 645 2HG GLN 86 HG1 GLN 86 8.668 -11.132 8.857 646 1HE2 GLN 86 HE2 GLN 86 10.712 -12.268 7.495 647 2HE2 GLN 86 HE2 GLN 86 10.858 -13.938 7.913 648 H ASP 87 HN ASP 87 8.519 -9.007 11.124 649 HA ASP 87 HA ASP 87 10.235 -7.320 12.830 650 1HB ASP 87 HB2 ASP 87 7.269 -7.266 12.389 651 2HB ASP 87 HB1 ASP 87 7.926 -6.757 13.942 652 H GLY 88 HN GLY 88 7.235 -8.971 13.673 653 1HA GLY 88 HA2 GLY 88 8.795 -10.799 15.389 654 2HA GLY 88 HA1 GLY 88 7.367 -9.971 15.990 655 HA PRO 89 HA PRO 89 5.256 -13.619 14.540 656 1HB PRO 89 HB2 PRO 89 2.774 -12.987 15.314 657 2HB PRO 89 HB1 PRO 89 4.034 -13.372 16.491 658 1HG PRO 89 HG1 PRO 89 2.971 -10.707 15.651 659 2HG PRO 89 HG2 PRO 89 3.412 -11.276 17.269 660 1HD PRO 89 HD1 PRO 89 5.022 -9.707 15.665 661 2HD PRO 89 HD2 PRO 89 5.611 -10.740 16.980 662 H THR 90 HN THR 90 5.438 -10.825 12.987 663 HA THR 90 HA THR 90 3.589 -11.686 10.890 664 HB THR 90 HB THR 90 2.948 -9.263 10.529 665 HG1 THR 90 HG1 THR 90 3.752 -7.820 11.799 666 1HG2 THR 90 HG2 THR 90 1.061 -9.619 11.628 667 2HG2 THR 90 HG2 THR 90 1.885 -9.653 13.187 668 3HG2 THR 90 HG2 THR 90 1.791 -11.117 12.209 669 H ILE 91 HN ILE 91 3.937 -10.051 8.938 670 HA ILE 91 HA ILE 91 6.740 -9.311 8.652 671 HB ILE 91 HB ILE 91 6.635 -11.664 7.930 672 1HG1 ILE 91 HG1 ILE 91 6.991 -9.846 5.542 673 2HG1 ILE 91 HG1 ILE 91 8.157 -9.946 6.858 674 1HG2 ILE 91 HG2 ILE 91 4.251 -11.576 7.202 675 2HG2 ILE 91 HG2 ILE 91 5.333 -12.368 6.055 676 3HG2 ILE 91 HG2 ILE 91 4.780 -10.721 5.752 677 1HD1 ILE 91 HD1 ILE 91 8.883 -12.015 6.242 678 2HD1 ILE 91 HD1 ILE 91 8.437 -11.358 4.667 679 3HD1 ILE 91 HD1 ILE 91 7.343 -12.459 5.505 680 H ARG 92 HN ARG 92 7.090 -7.711 7.111 681 HA ARG 92 HA ARG 92 4.723 -6.753 5.660 682 1HB ARG 92 HB1 ARG 92 4.689 -5.151 7.285 683 2HB ARG 92 HB2 ARG 92 6.394 -5.342 7.661 684 1HG ARG 92 HG2 ARG 92 6.429 -4.249 5.137 685 2HG ARG 92 HG1 ARG 92 5.072 -3.437 5.917 686 1HD ARG 92 HD2 ARG 92 7.735 -3.708 7.272 687 2HD ARG 92 HD1 ARG 92 7.403 -2.390 6.150 688 HE ARG 92 HE ARG 92 6.183 -2.797 8.773 689 1HH1 ARG 92 HH2 ARG 92 6.457 -0.909 5.858 690 2HH1 ARG 92 HH2 ARG 92 5.686 0.486 6.535 691 1HH2 ARG 92 HH1 ARG 92 5.166 -0.966 9.672 692 2HH2 ARG 92 HH1 ARG 92 4.952 0.454 8.703 693 H TYR 93 HN TYR 93 5.059 -6.097 3.617 694 HA TYR 93 HA TYR 93 7.838 -5.896 2.667 695 1HB TYR 93 HB1 TYR 93 5.915 -6.630 0.600 696 2HB TYR 93 HB2 TYR 93 7.457 -7.368 1.007 697 HD1 TYR 93 HD1 TYR 93 4.023 -7.919 0.827 698 HD2 TYR 93 HD2 TYR 93 7.397 -8.816 3.254 699 HE1 TYR 93 HE1 TYR 93 2.836 -9.866 1.739 700 HE2 TYR 93 HE2 TYR 93 6.218 -10.768 4.174 701 HH TYR 93 HH TYR 93 4.315 -11.914 4.232 702 H LEU 94 HN LEU 94 8.099 -4.540 0.731 703 HA LEU 94 HA LEU 94 5.987 -2.652 0.129 704 1HB LEU 94 HB2 LEU 94 7.835 -0.789 0.596 705 2HB LEU 94 HB1 LEU 94 6.657 -1.279 1.797 706 HG LEU 94 HG LEU 94 9.181 -2.814 1.791 707 1HD1 LEU 94 HD1 LEU 94 9.387 -0.249 3.214 708 2HD1 LEU 94 HD1 LEU 94 9.514 -0.153 1.458 709 3HD1 LEU 94 HD1 LEU 94 10.620 -1.183 2.368 710 1HD2 LEU 94 HD2 LEU 94 8.073 -1.485 4.188 711 2HD2 LEU 94 HD2 LEU 94 8.681 -3.127 3.977 712 3HD2 LEU 94 HD2 LEU 94 7.058 -2.708 3.420 713 H ILE 95 HN ILE 95 6.303 -1.512 -1.768 714 HA ILE 95 HA ILE 95 8.774 -2.081 -3.252 715 HB ILE 95 HB ILE 95 7.778 -3.041 -5.017 716 1HG1 ILE 95 HG1 ILE 95 5.155 -2.379 -5.388 717 2HG1 ILE 95 HG1 ILE 95 5.764 -0.908 -4.635 718 1HG2 ILE 95 HG2 ILE 95 5.373 -3.422 -3.255 719 2HG2 ILE 95 HG2 ILE 95 6.918 -4.207 -2.923 720 3HG2 ILE 95 HG2 ILE 95 6.066 -4.537 -4.432 721 1HD1 ILE 95 HD1 ILE 95 5.971 -0.561 -6.934 722 2HD1 ILE 95 HD1 ILE 95 6.628 -2.180 -7.208 723 3HD1 ILE 95 HD1 ILE 95 7.601 -0.962 -6.382 724 H GLN 96 HN GLN 96 9.128 -0.599 -5.084 725 HA GLN 96 HA GLN 96 7.606 1.861 -5.098 726 1HB GLN 96 HB1 GLN 96 9.399 3.322 -4.484 727 2HB GLN 96 HB2 GLN 96 9.256 2.108 -3.220 728 1HG GLN 96 HG1 GLN 96 11.375 1.546 -3.479 729 2HG GLN 96 HG2 GLN 96 11.098 1.176 -5.182 730 1HE2 GLN 96 HE2 GLN 96 12.997 2.885 -3.214 731 2HE2 GLN 96 HE2 GLN 96 13.407 4.213 -4.239 732 H LYS 97 HN LYS 97 8.179 3.284 -6.829 733 HA LYS 97 HA LYS 97 9.816 2.011 -8.928 734 1HB LYS 97 HB1 LYS 97 7.629 1.776 -9.740 735 2HB LYS 97 HB2 LYS 97 7.129 3.343 -9.117 736 1HG LYS 97 HG1 LYS 97 7.320 3.982 -11.253 737 2HG LYS 97 HG2 LYS 97 9.039 4.096 -10.876 738 1HD LYS 97 HD2 LYS 97 9.166 1.637 -11.583 739 2HD LYS 97 HD1 LYS 97 7.572 1.896 -12.298 740 1HE LYS 97 HE1 LYS 97 9.305 2.204 -13.966 741 2HE LYS 97 HE2 LYS 97 8.483 3.730 -13.645 742 1HZ LYS 97 HZ1 LYS 97 11.167 2.891 -12.711 743 2HZ LYS 97 HZ2 LYS 97 10.358 4.238 -12.084 744 3HZ LYS 97 HZ3 LYS 97 10.780 4.191 -13.723 Start of MODEL 10 1 1H MET 1 HT1 MET 1 -11.439 12.323 27.915 2 2H MET 1 HT2 MET 1 -10.288 13.587 27.755 3 3H MET 1 HT3 MET 1 -11.443 13.634 29.023 4 HA MET 1 HA MET 1 -9.071 12.916 29.512 5 1HB MET 1 HB2 MET 1 -11.668 12.267 30.531 6 2HB MET 1 HB1 MET 1 -10.614 10.879 30.758 7 1HG MET 1 HG2 MET 1 -9.842 13.654 31.602 8 2HG MET 1 HG1 MET 1 -10.722 12.544 32.651 9 1HE MET 1 HE1 MET 1 -7.601 14.047 32.030 10 2HE MET 1 HE2 MET 1 -6.482 13.017 32.924 11 3HE MET 1 HE3 MET 1 -7.901 13.688 33.730 12 H GLY 2 HN GLY 2 -7.693 11.882 28.154 13 1HA GLY 2 HA2 GLY 2 -8.192 9.013 27.738 14 2HA GLY 2 HA1 GLY 2 -7.745 10.015 26.365 15 H SER 3 HN SER 3 -5.925 8.558 26.140 16 HA SER 3 HA SER 3 -3.824 8.918 28.158 17 1HB SER 3 HB2 SER 3 -2.847 6.926 27.408 18 2HB SER 3 HB1 SER 3 -4.574 6.596 27.262 19 HG SER 3 HG SER 3 -4.378 6.502 25.166 20 H SER 4 HN SER 4 -4.798 10.600 25.661 21 HA SER 4 HA SER 4 -2.353 10.809 24.136 22 1HB SER 4 HB2 SER 4 -4.086 13.019 23.633 23 2HB SER 4 HB1 SER 4 -3.757 11.631 22.596 24 HG SER 4 HG SER 4 -6.022 12.026 23.313 25 H HIS 5 HN HIS 5 -1.001 12.632 24.037 26 HA HIS 5 HA HIS 5 -0.464 13.852 26.537 27 1HB HIS 5 HB1 HIS 5 1.151 13.343 24.577 28 2HB HIS 5 HB2 HIS 5 0.600 14.879 23.918 29 HD2 HIS 5 HD2 HIS 5 2.426 16.729 24.494 30 HE1 HIS 5 HE1 HIS 5 3.390 15.378 28.388 31 HE2 HIS 5 HE2 HIS 5 3.843 17.146 26.627 32 H HIS 6 HN HIS 6 -1.001 15.611 23.494 33 HA HIS 6 HA HIS 6 -1.924 17.935 24.843 34 1HB HIS 6 HB1 HIS 6 -2.655 18.549 22.410 35 2HB HIS 6 HB2 HIS 6 -0.943 18.433 22.798 36 HD2 HIS 6 HD2 HIS 6 -3.617 15.898 21.348 37 HE1 HIS 6 HE1 HIS 6 0.112 15.398 19.408 38 HE2 HIS 6 HE2 HIS 6 -2.296 14.609 19.523 39 H HIS 7 HN HIS 7 -4.012 18.896 24.746 40 HA HIS 7 HA HIS 7 -6.138 16.949 24.998 41 1HB HIS 7 HB2 HIS 7 -5.963 19.917 25.507 42 2HB HIS 7 HB1 HIS 7 -7.486 19.040 25.607 43 HD2 HIS 7 HD2 HIS 7 -5.799 20.438 28.197 44 HE1 HIS 7 HE1 HIS 7 -5.631 16.380 29.393 45 HE2 HIS 7 HE2 HIS 7 -5.392 18.786 30.158 46 H HIS 8 HN HIS 8 -8.225 17.234 23.951 47 HA HIS 8 HA HIS 8 -7.986 17.469 21.152 48 1HB HIS 8 HB2 HIS 8 -10.580 17.604 22.692 49 2HB HIS 8 HB1 HIS 8 -10.323 17.002 21.058 50 HD2 HIS 8 HD2 HIS 8 -9.448 14.395 20.850 51 HE1 HIS 8 HE1 HIS 8 -9.557 13.613 25.009 52 HE2 HIS 8 HE2 HIS 8 -9.289 12.586 22.705 53 H HIS 9 HN HIS 9 -8.844 18.999 19.712 54 HA HIS 9 HA HIS 9 -9.460 21.627 20.892 55 1HB HIS 9 HB1 HIS 9 -7.426 20.867 18.880 56 2HB HIS 9 HB2 HIS 9 -8.342 22.330 18.530 57 HD2 HIS 9 HD2 HIS 9 -7.276 24.522 19.613 58 HE1 HIS 9 HE1 HIS 9 -5.097 22.614 22.700 59 HE2 HIS 9 HE2 HIS 9 -5.618 24.832 21.585 60 H HIS 10 HN HIS 10 -10.768 23.033 19.574 61 HA HIS 10 HA HIS 10 -12.627 21.514 17.893 62 1HB HIS 10 HB2 HIS 10 -14.063 23.629 18.204 63 2HB HIS 10 HB1 HIS 10 -13.836 22.580 19.600 64 HD2 HIS 10 HD2 HIS 10 -13.406 26.206 18.598 65 HE1 HIS 10 HE1 HIS 10 -11.294 25.654 22.225 66 HE2 HIS 10 HE2 HIS 10 -12.192 27.363 20.579 67 H SER 11 HN SER 11 -11.992 21.549 15.826 68 HA SER 11 HA SER 11 -10.925 24.027 14.691 69 1HB SER 11 HB1 SER 11 -10.855 22.107 12.689 70 2HB SER 11 HB2 SER 11 -9.514 22.549 13.745 71 HG SER 11 HG SER 11 -11.430 20.608 14.483 72 H SER 12 HN SER 12 -11.699 24.775 12.611 73 HA SER 12 HA SER 12 -14.538 24.123 12.161 74 1HB SER 12 HB1 SER 12 -13.376 26.806 11.468 75 2HB SER 12 HB2 SER 12 -15.053 26.374 11.802 76 HG SER 12 HG SER 12 -13.008 26.259 13.758 77 H GLY 13 HN GLY 13 -11.852 25.774 10.478 78 1HA GLY 13 HA2 GLY 13 -12.703 24.390 8.012 79 2HA GLY 13 HA1 GLY 13 -11.894 25.950 8.050 80 H LEU 14 HN LEU 14 -10.130 25.456 6.827 81 HA LEU 14 HA LEU 14 -8.398 23.288 7.815 82 1HB LEU 14 HB1 LEU 14 -9.181 24.134 5.137 83 2HB LEU 14 HB2 LEU 14 -7.443 24.008 5.316 84 HG LEU 14 HG LEU 14 -8.350 21.931 4.453 85 1HD1 LEU 14 HD2 LEU 14 -7.594 21.469 7.326 86 2HD1 LEU 14 HD2 LEU 14 -6.431 21.937 6.085 87 3HD1 LEU 14 HD2 LEU 14 -7.310 20.415 5.941 88 1HD2 LEU 14 HD1 LEU 14 -10.547 22.454 5.959 89 2HD2 LEU 14 HD1 LEU 14 -9.771 21.184 6.905 90 3HD2 LEU 14 HD1 LEU 14 -10.185 20.895 5.216 91 H VAL 15 HN VAL 15 -6.061 23.667 7.616 92 HA VAL 15 HA VAL 15 -5.364 26.516 7.894 93 HB VAL 15 HB VAL 15 -3.623 25.807 9.549 94 1HG1 VAL 15 HG1 VAL 15 -5.614 25.094 11.262 95 2HG1 VAL 15 HG1 VAL 15 -6.527 25.850 9.956 96 3HG1 VAL 15 HG1 VAL 15 -5.251 26.750 10.775 97 1HG2 VAL 15 HG2 VAL 15 -3.426 23.474 9.029 98 2HG2 VAL 15 HG2 VAL 15 -5.126 23.198 9.404 99 3HG2 VAL 15 HG2 VAL 15 -3.998 23.626 10.690 100 HA PRO 16 HA PRO 16 -2.311 25.661 4.802 101 1HB PRO 16 HB2 PRO 16 -0.643 27.750 5.194 102 2HB PRO 16 HB1 PRO 16 -2.248 27.941 4.477 103 1HG PRO 16 HG1 PRO 16 -1.361 28.427 7.298 104 2HG PRO 16 HG2 PRO 16 -2.412 29.421 6.269 105 1HD PRO 16 HD2 PRO 16 -3.377 27.739 8.171 106 2HD PRO 16 HD1 PRO 16 -4.260 28.108 6.676 107 H ARG 17 HN ARG 17 -1.205 23.826 5.315 108 HA ARG 17 HA ARG 17 0.504 23.581 7.571 109 1HB ARG 17 HB1 ARG 17 -0.029 21.925 5.132 110 2HB ARG 17 HB2 ARG 17 1.332 21.528 6.172 111 1HG ARG 17 HG1 ARG 17 -1.484 21.807 7.186 112 2HG ARG 17 HG2 ARG 17 -0.800 20.281 6.626 113 1HD ARG 17 HD2 ARG 17 0.069 21.960 8.963 114 2HD ARG 17 HD1 ARG 17 -0.544 20.307 8.980 115 HE ARG 17 HE ARG 17 1.561 19.680 7.835 116 1HH1 ARG 17 HH1 ARG 17 1.410 22.647 9.659 117 2HH1 ARG 17 HH1 ARG 17 3.115 22.698 9.961 118 1HH2 ARG 17 HH2 ARG 17 3.805 19.740 8.228 119 2HH2 ARG 17 HH2 ARG 17 4.477 21.045 9.148 120 H GLY 18 HN GLY 18 2.637 23.942 7.804 121 1HA GLY 18 HA1 GLY 18 4.003 25.625 6.009 122 2HA GLY 18 HA2 GLY 18 4.733 24.763 7.355 123 H SER 19 HN SER 19 4.324 22.140 6.606 124 HA SER 19 HA SER 19 6.240 21.913 4.425 125 1HB SER 19 HB1 SER 19 6.011 20.585 6.812 126 2HB SER 19 HB2 SER 19 5.286 19.433 5.692 127 HG SER 19 HG SER 19 7.839 20.638 5.393 128 H HIS 20 HN HIS 20 5.919 20.041 2.883 129 HA HIS 20 HA HIS 20 3.155 20.123 1.889 130 1HB HIS 20 HB1 HIS 20 4.393 19.158 -0.226 131 2HB HIS 20 HB2 HIS 20 4.450 20.880 0.131 132 HD2 HIS 20 HD2 HIS 20 6.919 21.655 -0.544 133 HE1 HIS 20 HE1 HIS 20 9.009 18.434 1.238 134 HE2 HIS 20 HE2 HIS 20 9.243 20.634 -0.001 135 H MET 21 HN MET 21 2.158 18.212 1.098 136 HA MET 21 HA MET 21 3.301 15.731 2.205 137 1HB MET 21 HB1 MET 21 0.896 16.961 2.893 138 2HB MET 21 HB2 MET 21 0.422 15.654 1.815 139 1HG MET 21 HG1 MET 21 0.433 14.425 3.680 140 2HG MET 21 HG2 MET 21 2.175 14.369 3.420 141 1HE MET 21 HE1 MET 21 3.231 15.207 6.834 142 2HE MET 21 HE2 MET 21 3.898 15.204 5.201 143 3HE MET 21 HE3 MET 21 2.868 13.877 5.734 144 H LYS 22 HN LYS 22 3.783 14.237 0.749 145 HA LYS 22 HA LYS 22 2.637 14.455 -1.939 146 1HB LYS 22 HB2 LYS 22 4.991 12.819 -0.971 147 2HB LYS 22 HB1 LYS 22 4.477 12.997 -2.643 148 1HG LYS 22 HG2 LYS 22 5.640 14.867 -2.871 149 2HG LYS 22 HG1 LYS 22 4.889 15.574 -1.440 150 1HD LYS 22 HD2 LYS 22 7.054 15.527 -0.729 151 2HD LYS 22 HD1 LYS 22 6.550 13.918 -0.206 152 1HE LYS 22 HE2 LYS 22 8.206 13.070 -1.421 153 2HE LYS 22 HE1 LYS 22 7.363 13.626 -2.867 154 1HZ LYS 22 HZ1 LYS 22 9.814 14.497 -1.878 155 2HZ LYS 22 HZ2 LYS 22 8.736 15.791 -1.718 156 3HZ LYS 22 HZ3 LYS 22 8.977 15.072 -3.230 157 H ASN 23 HN ASN 23 0.733 13.394 -1.984 158 HA ASN 23 HA ASN 23 0.674 10.643 -0.936 159 1HB ASN 23 HB2 ASN 23 -1.962 11.416 -1.449 160 2HB ASN 23 HB1 ASN 23 -1.184 11.303 0.127 161 1HD2 ASN 23 HD2 ASN 23 -2.561 13.354 -2.192 162 2HD2 ASN 23 HD2 ASN 23 -2.237 14.857 -1.404 163 H ILE 24 HN ILE 24 1.435 11.911 -3.664 164 HA ILE 24 HA ILE 24 -0.429 10.433 -5.378 165 HB ILE 24 HB ILE 24 0.639 11.581 -7.260 166 1HG1 ILE 24 HG1 ILE 24 2.130 13.419 -5.461 167 2HG1 ILE 24 HG1 ILE 24 2.829 11.823 -5.717 168 1HG2 ILE 24 HG2 ILE 24 -1.219 12.741 -6.507 169 2HG2 ILE 24 HG2 ILE 24 0.040 13.976 -6.485 170 3HG2 ILE 24 HG2 ILE 24 -0.450 13.189 -4.984 171 1HD1 ILE 24 HD1 ILE 24 2.961 12.182 -8.070 172 2HD1 ILE 24 HD1 ILE 24 3.670 13.577 -7.257 173 3HD1 ILE 24 HD1 ILE 24 2.048 13.686 -7.942 174 H VAL 25 HN VAL 25 2.165 9.665 -3.671 175 HA VAL 25 HA VAL 25 3.558 8.181 -5.773 176 HB VAL 25 HB VAL 25 4.460 8.122 -2.929 177 1HG1 VAL 25 HG1 VAL 25 6.608 8.517 -4.609 178 2HG1 VAL 25 HG1 VAL 25 5.520 7.513 -5.567 179 3HG1 VAL 25 HG1 VAL 25 6.056 6.967 -3.977 180 1HG2 VAL 25 HG2 VAL 25 3.891 10.503 -3.538 181 2HG2 VAL 25 HG2 VAL 25 5.145 10.397 -4.774 182 3HG2 VAL 25 HG2 VAL 25 5.566 10.211 -3.072 183 HA PRO 26 HA PRO 26 2.414 4.758 -2.365 184 1HB PRO 26 HB1 PRO 26 -0.173 6.019 -1.579 185 2HB PRO 26 HB2 PRO 26 0.945 5.047 -0.616 186 1HG PRO 26 HG1 PRO 26 0.842 7.687 -0.312 187 2HG PRO 26 HG2 PRO 26 2.392 6.826 -0.260 188 1HD PRO 26 HD2 PRO 26 1.223 8.504 -2.432 189 2HD PRO 26 HD1 PRO 26 2.916 8.323 -1.931 190 H ASP 27 HN ASP 27 1.991 3.322 -3.933 191 HA ASP 27 HA ASP 27 -0.158 3.643 -5.803 192 1HB ASP 27 HB2 ASP 27 2.202 2.080 -5.666 193 2HB ASP 27 HB1 ASP 27 0.851 0.957 -5.783 194 H TYR 28 HN TYR 28 0.520 0.738 -3.780 195 HA TYR 28 HA TYR 28 -2.297 0.896 -2.919 196 1HB TYR 28 HB1 TYR 28 -1.776 -0.725 -4.945 197 2HB TYR 28 HB2 TYR 28 -1.272 -1.803 -3.648 198 HD1 TYR 28 HD1 TYR 28 -4.140 0.225 -4.854 199 HD2 TYR 28 HD2 TYR 28 -2.854 -3.018 -2.420 200 HE1 TYR 28 HE1 TYR 28 -6.485 -0.416 -4.479 201 HE2 TYR 28 HE2 TYR 28 -5.194 -3.668 -2.038 202 HH TYR 28 HH TYR 28 -7.353 -2.974 -2.228 203 H ARG 29 HN ARG 29 -2.822 -0.633 -1.149 204 HA ARG 29 HA ARG 29 -0.503 -1.280 0.527 205 1HB ARG 29 HB2 ARG 29 -2.979 -0.063 1.726 206 2HB ARG 29 HB1 ARG 29 -1.381 -0.230 2.441 207 1HG ARG 29 HG2 ARG 29 -1.273 1.967 1.957 208 2HG ARG 29 HG1 ARG 29 -0.760 1.356 0.382 209 1HD ARG 29 HD2 ARG 29 -2.490 2.369 -0.567 210 2HD ARG 29 HD1 ARG 29 -3.589 1.387 0.401 211 HE ARG 29 HE ARG 29 -2.659 3.523 1.964 212 1HH1 ARG 29 HH2 ARG 29 -4.712 2.915 -0.786 213 2HH1 ARG 29 HH2 ARG 29 -5.724 4.290 -0.496 214 1HH2 ARG 29 HH1 ARG 29 -3.987 5.335 2.353 215 2HH2 ARG 29 HH1 ARG 29 -5.312 5.666 1.288 216 H LEU 30 HN LEU 30 -0.588 -3.400 0.876 217 HA LEU 30 HA LEU 30 -3.223 -4.675 1.198 218 1HB LEU 30 HB1 LEU 30 -1.462 -5.372 -0.636 219 2HB LEU 30 HB2 LEU 30 -0.716 -6.232 0.696 220 HG LEU 30 HG LEU 30 -2.313 -7.549 -0.821 221 1HD1 LEU 30 HD2 LEU 30 -3.503 -8.177 1.653 222 2HD1 LEU 30 HD2 LEU 30 -1.872 -7.613 2.012 223 3HD1 LEU 30 HD2 LEU 30 -2.114 -8.951 0.889 224 1HD2 LEU 30 HD1 LEU 30 -4.421 -6.894 -1.037 225 2HD2 LEU 30 HD1 LEU 30 -4.050 -5.456 -0.087 226 3HD2 LEU 30 HD1 LEU 30 -4.648 -6.910 0.713 227 H ASP 31 HN ASP 31 -3.306 -4.014 3.425 228 HA ASP 31 HA ASP 31 -1.366 -5.330 5.189 229 1HB ASP 31 HB2 ASP 31 -3.339 -3.585 6.466 230 2HB ASP 31 HB1 ASP 31 -1.582 -3.578 6.590 231 H MET 32 HN MET 32 -2.546 -7.382 4.575 232 HA MET 32 HA MET 32 -4.635 -7.858 6.568 233 1HB MET 32 HB1 MET 32 -4.904 -8.146 3.645 234 2HB MET 32 HB2 MET 32 -5.484 -9.513 4.586 235 1HG MET 32 HG1 MET 32 -6.901 -7.974 5.891 236 2HG MET 32 HG2 MET 32 -6.368 -6.650 4.856 237 1HE MET 32 HE1 MET 32 -9.455 -6.339 3.724 238 2HE MET 32 HE2 MET 32 -8.956 -6.775 5.359 239 3HE MET 32 HE3 MET 32 -10.096 -7.796 4.483 240 H VAL 33 HN VAL 33 -4.195 -10.375 4.340 241 HA VAL 33 HA VAL 33 -2.139 -11.673 5.988 242 HB VAL 33 HB VAL 33 -4.650 -13.087 5.078 243 1HG1 VAL 33 HG1 VAL 33 -3.784 -14.719 6.881 244 2HG1 VAL 33 HG1 VAL 33 -2.244 -13.889 6.665 245 3HG1 VAL 33 HG1 VAL 33 -3.003 -14.706 5.300 246 1HG2 VAL 33 HG2 VAL 33 -5.733 -12.454 6.914 247 2HG2 VAL 33 HG2 VAL 33 -4.461 -11.257 7.162 248 3HG2 VAL 33 HG2 VAL 33 -4.351 -12.836 7.940 249 H GLY 34 HN GLY 34 -0.717 -12.926 4.869 250 1HA GLY 34 HA2 GLY 34 -0.689 -12.670 2.007 251 2HA GLY 34 HA1 GLY 34 0.504 -13.503 2.991 252 H GLU 35 HN GLU 35 -2.847 -13.840 1.843 253 HA GLU 35 HA GLU 35 -2.356 -16.729 1.567 254 1HB GLU 35 HB1 GLU 35 -3.943 -16.585 3.281 255 2HB GLU 35 HB2 GLU 35 -4.769 -15.227 2.534 256 1HG GLU 35 HG2 GLU 35 -5.747 -16.630 0.883 257 2HG GLU 35 HG1 GLU 35 -4.766 -18.005 1.392 258 HA PRO 36 HA PRO 36 -3.007 -16.238 -2.777 259 1HB PRO 36 HB2 PRO 36 -4.253 -18.672 -3.259 260 2HB PRO 36 HB1 PRO 36 -2.507 -18.410 -3.204 261 1HG PRO 36 HG1 PRO 36 -4.337 -19.458 -1.088 262 2HG PRO 36 HG2 PRO 36 -2.692 -19.971 -1.505 263 1HD PRO 36 HD1 PRO 36 -3.167 -18.439 0.637 264 2HD PRO 36 HD2 PRO 36 -1.716 -18.201 -0.361 265 H CYS 37 HN CYS 37 -5.758 -17.800 -1.107 266 HA CYS 37 HA CYS 37 -7.561 -16.165 -2.764 267 1HB CYS 37 HB2 CYS 37 -9.126 -18.124 -1.587 268 2HB CYS 37 HB1 CYS 37 -8.507 -18.144 -3.235 269 HG CYS 37 HG CYS 37 -6.418 -19.371 -1.561 270 HA PRO 38 HA PRO 38 -9.048 -14.906 -2.907 271 1HB PRO 38 HB1 PRO 38 -9.316 -12.177 -1.989 272 2HB PRO 38 HB2 PRO 38 -10.564 -13.257 -2.612 273 1HG PRO 38 HG2 PRO 38 -10.450 -12.419 -0.014 274 2HG PRO 38 HG1 PRO 38 -11.189 -13.946 -0.523 275 1HD PRO 38 HD2 PRO 38 -8.485 -13.453 0.665 276 2HD PRO 38 HD1 PRO 38 -9.638 -14.766 0.990 277 H TYR 39 HN TYR 39 -8.003 -13.512 -4.455 278 HA TYR 39 HA TYR 39 -5.206 -13.189 -3.917 279 1HB TYR 39 HB2 TYR 39 -6.712 -13.636 -6.185 280 2HB TYR 39 HB1 TYR 39 -6.193 -11.966 -6.383 281 HD1 TYR 39 HD1 TYR 39 -4.697 -15.223 -5.302 282 HD2 TYR 39 HD2 TYR 39 -4.247 -11.649 -7.567 283 HE1 TYR 39 HE1 TYR 39 -2.504 -16.007 -6.091 284 HE2 TYR 39 HE2 TYR 39 -2.053 -12.423 -8.362 285 HH TYR 39 HH TYR 39 -0.505 -14.011 -8.247 286 HA PRO 40 HA PRO 40 -5.829 -8.923 -2.652 287 1HB PRO 40 HB2 PRO 40 -3.287 -8.927 -1.404 288 2HB PRO 40 HB1 PRO 40 -4.850 -9.196 -0.635 289 1HG PRO 40 HG1 PRO 40 -2.815 -11.087 -0.906 290 2HG PRO 40 HG2 PRO 40 -4.507 -11.431 -0.507 291 1HD PRO 40 HD2 PRO 40 -3.096 -11.640 -3.127 292 2HD PRO 40 HD1 PRO 40 -4.388 -12.657 -2.451 293 H ALA 41 HN ALA 41 -2.509 -9.879 -3.498 294 HA ALA 41 HA ALA 41 -1.525 -7.480 -4.386 295 1HB ALA 41 HB1 ALA 41 -0.363 -9.398 -6.059 296 2HB ALA 41 HB2 ALA 41 -0.771 -10.240 -4.565 297 3HB ALA 41 HB3 ALA 41 0.246 -8.801 -4.516 298 H VAL 42 HN VAL 42 -4.178 -8.870 -5.795 299 HA VAL 42 HA VAL 42 -3.845 -8.801 -8.521 300 HB VAL 42 HB VAL 42 -6.220 -7.786 -6.953 301 1HG1 VAL 42 HG1 VAL 42 -7.519 -8.133 -8.988 302 2HG1 VAL 42 HG1 VAL 42 -6.053 -8.588 -9.856 303 3HG1 VAL 42 HG1 VAL 42 -6.245 -6.943 -9.250 304 1HG2 VAL 42 HG2 VAL 42 -6.380 -10.362 -8.332 305 2HG2 VAL 42 HG2 VAL 42 -6.894 -9.908 -6.707 306 3HG2 VAL 42 HG2 VAL 42 -5.206 -10.312 -7.016 307 H ALA 43 HN ALA 43 -3.951 -6.142 -6.268 308 HA ALA 43 HA ALA 43 -4.286 -4.078 -8.230 309 1HB ALA 43 HB1 ALA 43 -4.587 -2.777 -6.455 310 2HB ALA 43 HB2 ALA 43 -3.000 -3.189 -5.803 311 3HB ALA 43 HB3 ALA 43 -4.391 -4.217 -5.455 312 H THR 44 HN THR 44 -1.560 -5.547 -6.544 313 HA THR 44 HA THR 44 0.481 -3.840 -7.307 314 HB THR 44 HB THR 44 0.991 -6.780 -7.260 315 HG1 THR 44 HG1 THR 44 0.080 -5.224 -5.081 316 1HG2 THR 44 HG2 THR 44 2.518 -4.409 -6.839 317 2HG2 THR 44 HG2 THR 44 3.054 -6.088 -6.914 318 3HG2 THR 44 HG2 THR 44 2.532 -5.395 -5.377 319 H LEU 45 HN LEU 45 -0.650 -6.775 -8.978 320 HA LEU 45 HA LEU 45 1.127 -6.621 -11.137 321 1HB LEU 45 HB1 LEU 45 -1.576 -7.905 -10.832 322 2HB LEU 45 HB2 LEU 45 -0.651 -8.029 -12.315 323 HG LEU 45 HG LEU 45 0.324 -8.967 -9.615 324 1HD1 LEU 45 HD1 LEU 45 -1.332 -10.495 -10.045 325 2HD1 LEU 45 HD1 LEU 45 0.029 -11.235 -10.890 326 3HD1 LEU 45 HD1 LEU 45 -1.183 -10.327 -11.795 327 1HD2 LEU 45 HD2 LEU 45 1.878 -10.268 -11.253 328 2HD2 LEU 45 HD2 LEU 45 2.245 -8.597 -10.826 329 3HD2 LEU 45 HD2 LEU 45 1.472 -8.965 -12.369 330 H GLU 46 HN GLU 46 -2.280 -5.578 -10.949 331 HA GLU 46 HA GLU 46 -2.332 -4.455 -13.541 332 1HB GLU 46 HB1 GLU 46 -4.452 -3.496 -12.913 333 2HB GLU 46 HB2 GLU 46 -4.352 -5.121 -12.251 334 1HG GLU 46 HG2 GLU 46 -4.565 -4.394 -10.165 335 2HG GLU 46 HG1 GLU 46 -3.374 -3.115 -10.399 336 H ALA 47 HN ALA 47 -0.861 -3.393 -10.696 337 HA ALA 47 HA ALA 47 -1.123 -0.575 -11.069 338 1HB ALA 47 HB1 ALA 47 1.238 -1.193 -9.605 339 2HB ALA 47 HB2 ALA 47 -0.047 -2.291 -9.102 340 3HB ALA 47 HB3 ALA 47 -0.294 -0.547 -9.017 341 H MET 48 HN MET 48 1.303 -2.989 -11.964 342 HA MET 48 HA MET 48 3.375 -1.409 -12.799 343 1HB MET 48 HB2 MET 48 2.371 -4.077 -13.576 344 2HB MET 48 HB1 MET 48 3.465 -3.311 -14.720 345 1HG MET 48 HG1 MET 48 5.204 -3.196 -13.134 346 2HG MET 48 HG2 MET 48 4.115 -3.586 -11.802 347 1HE MET 48 HE1 MET 48 2.451 -5.502 -12.351 348 2HE MET 48 HE2 MET 48 3.333 -6.856 -11.643 349 3HE MET 48 HE3 MET 48 2.824 -6.921 -13.331 350 HA PRO 49 HA PRO 49 1.334 -0.886 -17.205 351 1HB PRO 49 HB1 PRO 49 -1.529 -1.162 -16.515 352 2HB PRO 49 HB2 PRO 49 -0.648 -1.767 -17.921 353 1HG PRO 49 HG1 PRO 49 -1.476 -3.420 -15.989 354 2HG PRO 49 HG2 PRO 49 0.072 -3.669 -16.816 355 1HD PRO 49 HD2 PRO 49 -0.468 -2.502 -14.113 356 2HD PRO 49 HD1 PRO 49 0.823 -3.608 -14.623 357 H GLN 50 HN GLN 50 -1.130 -0.090 -14.754 358 HA GLN 50 HA GLN 50 -1.308 2.640 -15.607 359 1HB GLN 50 HB2 GLN 50 -3.067 1.052 -14.418 360 2HB GLN 50 HB1 GLN 50 -2.366 1.747 -12.963 361 1HG GLN 50 HG2 GLN 50 -3.089 3.893 -13.488 362 2HG GLN 50 HG1 GLN 50 -3.329 3.497 -15.189 363 1HE2 GLN 50 HE2 GLN 50 -4.941 4.277 -12.531 364 2HE2 GLN 50 HE2 GLN 50 -6.420 3.417 -12.779 365 H LEU 51 HN LEU 51 1.336 1.611 -14.538 366 HA LEU 51 HA LEU 51 1.839 2.701 -12.019 367 1HB LEU 51 HB1 LEU 51 4.153 2.446 -12.468 368 2HB LEU 51 HB2 LEU 51 3.315 1.104 -13.210 369 HG LEU 51 HG LEU 51 4.688 1.531 -14.926 370 1HD1 LEU 51 HD1 LEU 51 2.998 3.922 -15.551 371 2HD1 LEU 51 HD1 LEU 51 2.390 2.273 -15.693 372 3HD1 LEU 51 HD1 LEU 51 3.766 2.792 -16.666 373 1HD2 LEU 51 HD2 LEU 51 5.243 3.914 -13.433 374 2HD2 LEU 51 HD2 LEU 51 5.258 4.228 -15.169 375 3HD2 LEU 51 HD2 LEU 51 6.294 2.971 -14.491 376 H LYS 52 HN LYS 52 4.144 4.315 -12.482 377 HA LYS 52 HA LYS 52 3.429 6.664 -13.931 378 1HB LYS 52 HB2 LYS 52 2.598 6.432 -11.127 379 2HB LYS 52 HB1 LYS 52 3.551 7.872 -11.459 380 1HG LYS 52 HG1 LYS 52 1.421 7.338 -13.403 381 2HG LYS 52 HG2 LYS 52 0.870 7.699 -11.765 382 1HD LYS 52 HD1 LYS 52 1.448 9.855 -11.931 383 2HD LYS 52 HD2 LYS 52 2.999 9.469 -12.679 384 1HE LYS 52 HE2 LYS 52 2.214 9.769 -14.763 385 2HE LYS 52 HE1 LYS 52 0.666 9.008 -14.394 386 1HZ LYS 52 HZ1 LYS 52 -0.262 10.992 -14.194 387 2HZ LYS 52 HZ2 LYS 52 1.189 11.714 -14.680 388 3HZ LYS 52 HZ3 LYS 52 0.872 11.475 -13.035 389 H LYS 53 HN LYS 53 4.865 8.600 -12.831 390 HA LYS 53 HA LYS 53 7.574 7.616 -13.043 391 1HB LYS 53 HB1 LYS 53 6.643 10.449 -12.549 392 2HB LYS 53 HB2 LYS 53 8.224 9.939 -13.125 393 1HG LYS 53 HG1 LYS 53 7.175 9.084 -15.181 394 2HG LYS 53 HG2 LYS 53 5.615 9.678 -14.605 395 1HD LYS 53 HD1 LYS 53 7.320 11.859 -14.366 396 2HD LYS 53 HD2 LYS 53 7.778 11.108 -15.896 397 1HE LYS 53 HE1 LYS 53 5.665 11.398 -16.817 398 2HE LYS 53 HE2 LYS 53 4.896 11.576 -15.240 399 1HZ LYS 53 HZ1 LYS 53 4.937 13.733 -15.896 400 2HZ LYS 53 HZ2 LYS 53 6.326 13.557 -16.845 401 3HZ LYS 53 HZ3 LYS 53 6.460 13.676 -15.163 402 H GLY 54 HN GLY 54 6.169 6.739 -10.716 403 1HA GLY 54 HA2 GLY 54 7.928 6.717 -8.728 404 2HA GLY 54 HA1 GLY 54 7.239 8.318 -8.510 405 H GLU 55 HN GLU 55 6.863 4.980 -7.945 406 HA GLU 55 HA GLU 55 4.247 5.482 -6.703 407 1HB GLU 55 HB2 GLU 55 3.817 3.010 -7.115 408 2HB GLU 55 HB1 GLU 55 3.751 4.065 -8.520 409 1HG GLU 55 HG1 GLU 55 6.379 3.266 -8.462 410 2HG GLU 55 HG2 GLU 55 5.505 1.828 -7.933 411 H ILE 56 HN ILE 56 3.773 3.511 -5.157 412 HA ILE 56 HA ILE 56 6.022 2.494 -3.694 413 HB ILE 56 HB ILE 56 4.449 4.820 -2.635 414 1HG1 ILE 56 HG1 ILE 56 7.345 4.039 -2.247 415 2HG1 ILE 56 HG1 ILE 56 6.774 5.050 -3.570 416 1HG2 ILE 56 HG2 ILE 56 5.032 4.278 -0.349 417 2HG2 ILE 56 HG2 ILE 56 5.792 2.776 -0.874 418 3HG2 ILE 56 HG2 ILE 56 4.049 2.989 -1.041 419 1HD1 ILE 56 HD1 ILE 56 5.807 6.552 -1.726 420 2HD1 ILE 56 HD1 ILE 56 7.547 6.575 -2.017 421 3HD1 ILE 56 HD1 ILE 56 6.893 5.668 -0.653 422 H LEU 57 HN LEU 57 5.202 1.103 -1.836 423 HA LEU 57 HA LEU 57 2.397 0.550 -1.790 424 1HB LEU 57 HB1 LEU 57 2.937 -0.506 -3.874 425 2HB LEU 57 HB2 LEU 57 4.229 -1.399 -3.140 426 HG LEU 57 HG LEU 57 1.953 -2.068 -1.677 427 1HD1 LEU 57 HD2 LEU 57 1.293 -2.527 -4.529 428 2HD1 LEU 57 HD2 LEU 57 0.952 -0.941 -3.825 429 3HD1 LEU 57 HD2 LEU 57 0.231 -2.396 -3.126 430 1HD2 LEU 57 HD1 LEU 57 3.184 -3.920 -1.921 431 2HD2 LEU 57 HD1 LEU 57 3.911 -3.338 -3.419 432 3HD2 LEU 57 HD1 LEU 57 2.337 -4.132 -3.454 433 H GLU 58 HN GLU 58 1.850 -0.249 0.117 434 HA GLU 58 HA GLU 58 3.966 -1.462 1.769 435 1HB GLU 58 HB1 GLU 58 1.627 -0.152 3.061 436 2HB GLU 58 HB2 GLU 58 3.297 -0.256 3.603 437 1HG GLU 58 HG1 GLU 58 3.952 1.577 2.389 438 2HG GLU 58 HG2 GLU 58 2.653 1.398 1.210 439 H VAL 59 HN VAL 59 3.629 -3.528 2.182 440 HA VAL 59 HA VAL 59 0.851 -4.516 2.313 441 HB VAL 59 HB VAL 59 3.294 -6.052 1.439 442 1HG1 VAL 59 HG2 VAL 59 0.408 -6.906 1.368 443 2HG1 VAL 59 HG2 VAL 59 1.518 -7.332 2.670 444 3HG1 VAL 59 HG2 VAL 59 1.834 -7.884 1.025 445 1HG2 VAL 59 HG1 VAL 59 2.610 -5.831 -0.753 446 2HG2 VAL 59 HG1 VAL 59 2.216 -4.242 -0.099 447 3HG2 VAL 59 HG1 VAL 59 0.947 -5.449 -0.308 448 H VAL 60 HN VAL 60 0.312 -4.923 4.357 449 HA VAL 60 HA VAL 60 2.344 -6.125 6.121 450 HB VAL 60 HB VAL 60 0.023 -4.931 7.455 451 1HG1 VAL 60 HG2 VAL 60 2.148 -5.846 8.482 452 2HG1 VAL 60 HG2 VAL 60 1.638 -4.251 9.038 453 3HG1 VAL 60 HG2 VAL 60 2.953 -4.400 7.872 454 1HG2 VAL 60 HG1 VAL 60 1.933 -3.180 5.914 455 2HG2 VAL 60 HG1 VAL 60 0.884 -2.606 7.210 456 3HG2 VAL 60 HG1 VAL 60 0.180 -3.268 5.735 457 H SER 61 HN SER 61 1.900 -8.251 5.745 458 HA SER 61 HA SER 61 -0.779 -9.165 6.543 459 1HB SER 61 HB1 SER 61 0.644 -10.947 4.701 460 2HB SER 61 HB2 SER 61 -1.028 -10.387 4.660 461 HG SER 61 HG SER 61 0.031 -8.302 3.956 462 H ASP 62 HN ASP 62 -0.799 -11.483 7.210 463 HA ASP 62 HA ASP 62 1.691 -12.151 8.645 464 1HB ASP 62 HB2 ASP 62 -0.145 -13.487 10.081 465 2HB ASP 62 HB1 ASP 62 0.310 -11.823 10.432 466 H CYS 63 HN CYS 63 2.551 -14.125 8.355 467 HA CYS 63 HA CYS 63 0.964 -16.296 7.275 468 1HB CYS 63 HB1 CYS 63 1.897 -14.834 5.347 469 2HB CYS 63 HB2 CYS 63 3.455 -15.539 5.767 470 HG CYS 63 HG CYS 63 2.781 -17.700 4.764 471 HA PRO 64 HA PRO 64 3.818 -18.394 9.972 472 1HB PRO 64 HB2 PRO 64 3.041 -20.929 9.465 473 2HB PRO 64 HB1 PRO 64 2.058 -19.814 10.420 474 1HG PRO 64 HG1 PRO 64 1.797 -20.578 7.534 475 2HG PRO 64 HG2 PRO 64 0.530 -20.407 8.764 476 1HD PRO 64 HD1 PRO 64 1.072 -18.480 6.927 477 2HD PRO 64 HD2 PRO 64 0.459 -18.116 8.551 478 H GLN 65 HN GLN 65 3.629 -18.829 6.550 479 HA GLN 65 HA GLN 65 5.979 -20.532 6.434 480 1HB GLN 65 HB1 GLN 65 3.793 -19.897 4.679 481 2HB GLN 65 HB2 GLN 65 5.315 -19.597 3.851 482 1HG GLN 65 HG1 GLN 65 5.278 -21.763 3.357 483 2HG GLN 65 HG2 GLN 65 5.767 -22.019 5.032 484 1HE2 GLN 65 HE2 GLN 65 4.738 -23.853 5.527 485 2HE2 GLN 65 HE2 GLN 65 3.027 -24.080 5.449 486 H SER 66 HN SER 66 7.150 -19.538 4.089 487 HA SER 66 HA SER 66 8.293 -16.995 5.043 488 1HB SER 66 HB1 SER 66 9.752 -19.124 5.095 489 2HB SER 66 HB2 SER 66 9.783 -18.983 3.337 490 HG SER 66 HG SER 66 10.344 -16.601 4.227 491 H ILE 67 HN ILE 67 6.728 -18.625 2.496 492 HA ILE 67 HA ILE 67 7.673 -17.108 0.296 493 HB ILE 67 HB ILE 67 5.023 -18.522 0.590 494 1HG1 ILE 67 HG1 ILE 67 7.402 -19.625 -0.867 495 2HG1 ILE 67 HG1 ILE 67 7.292 -19.807 0.882 496 1HG2 ILE 67 HG2 ILE 67 6.338 -18.209 -2.037 497 2HG2 ILE 67 HG2 ILE 67 5.628 -16.758 -1.329 498 3HG2 ILE 67 HG2 ILE 67 4.627 -18.182 -1.612 499 1HD1 ILE 67 HD1 ILE 67 5.178 -20.976 0.641 500 2HD1 ILE 67 HD1 ILE 67 6.452 -21.767 -0.290 501 3HD1 ILE 67 HD1 ILE 67 5.252 -20.767 -1.110 502 H ASN 68 HN ASN 68 7.204 -15.113 -0.336 503 HA ASN 68 HA ASN 68 5.174 -13.609 1.129 504 1HB ASN 68 HB2 ASN 68 6.830 -12.239 -0.902 505 2HB ASN 68 HB1 ASN 68 6.427 -11.750 0.741 506 1HD2 ASN 68 HD2 ASN 68 8.883 -12.649 -1.215 507 2HD2 ASN 68 HD2 ASN 68 10.002 -13.234 -0.037 508 H ASN 69 HN ASN 69 3.264 -13.109 0.282 509 HA ASN 69 HA ASN 69 2.520 -14.103 -2.272 510 1HB ASN 69 HB2 ASN 69 1.196 -13.345 0.072 511 2HB ASN 69 HB1 ASN 69 0.593 -12.248 -1.167 512 1HD2 ASN 69 HD2 ASN 69 -1.426 -13.392 -0.719 513 2HD2 ASN 69 HD2 ASN 69 -1.748 -14.863 -1.566 514 H ILE 70 HN ILE 70 1.671 -10.842 -1.224 515 HA ILE 70 HA ILE 70 1.253 -9.743 -3.643 516 HB ILE 70 HB ILE 70 2.592 -8.063 -1.553 517 1HG1 ILE 70 HG1 ILE 70 1.030 -9.447 -0.319 518 2HG1 ILE 70 HG1 ILE 70 0.361 -7.823 -0.472 519 1HG2 ILE 70 HG2 ILE 70 1.221 -6.320 -2.377 520 2HG2 ILE 70 HG2 ILE 70 0.223 -7.444 -3.302 521 3HG2 ILE 70 HG2 ILE 70 1.890 -7.138 -3.788 522 1HD1 ILE 70 HD1 ILE 70 -0.504 -10.358 -1.788 523 2HD1 ILE 70 HD1 ILE 70 -0.881 -8.799 -2.520 524 3HD1 ILE 70 HD1 ILE 70 -1.457 -9.171 -0.897 525 HA PRO 71 HA PRO 71 5.784 -8.033 -4.088 526 1HB PRO 71 HB2 PRO 71 7.706 -9.536 -2.813 527 2HB PRO 71 HB1 PRO 71 7.034 -8.026 -2.193 528 1HG PRO 71 HG1 PRO 71 6.331 -10.843 -1.498 529 2HG PRO 71 HG2 PRO 71 6.486 -9.430 -0.437 530 1HD PRO 71 HD1 PRO 71 4.088 -10.366 -1.206 531 2HD PRO 71 HD2 PRO 71 4.386 -8.629 -0.990 532 H LEU 72 HN LEU 72 5.024 -11.437 -3.834 533 HA LEU 72 HA LEU 72 6.983 -12.359 -5.676 534 1HB LEU 72 HB1 LEU 72 5.769 -13.789 -4.021 535 2HB LEU 72 HB2 LEU 72 4.329 -13.633 -5.009 536 HG LEU 72 HG LEU 72 6.597 -14.562 -6.567 537 1HD1 LEU 72 HD1 LEU 72 5.672 -16.448 -4.422 538 2HD1 LEU 72 HD1 LEU 72 7.129 -15.470 -4.254 539 3HD1 LEU 72 HD1 LEU 72 7.002 -16.646 -5.563 540 1HD2 LEU 72 HD2 LEU 72 5.017 -16.205 -7.309 541 2HD2 LEU 72 HD2 LEU 72 4.198 -14.647 -7.203 542 3HD2 LEU 72 HD2 LEU 72 3.950 -15.860 -5.947 543 H ASP 73 HN ASP 73 3.734 -11.101 -5.995 544 HA ASP 73 HA ASP 73 3.291 -11.888 -8.679 545 1HB ASP 73 HB2 ASP 73 2.054 -9.922 -6.805 546 2HB ASP 73 HB1 ASP 73 1.706 -9.758 -8.524 547 H ALA 74 HN ALA 74 4.307 -8.775 -7.277 548 HA ALA 74 HA ALA 74 4.767 -7.475 -9.733 549 1HB ALA 74 HB1 ALA 74 4.572 -6.474 -7.373 550 2HB ALA 74 HB2 ALA 74 5.716 -5.743 -8.498 551 3HB ALA 74 HB3 ALA 74 6.294 -6.831 -7.236 552 H ARG 75 HN ARG 75 6.787 -9.493 -7.688 553 HA ARG 75 HA ARG 75 9.238 -9.025 -9.018 554 1HB ARG 75 HB1 ARG 75 9.244 -9.968 -6.805 555 2HB ARG 75 HB2 ARG 75 8.268 -11.334 -7.328 556 1HG ARG 75 HG1 ARG 75 10.040 -12.459 -8.121 557 2HG ARG 75 HG2 ARG 75 10.801 -11.006 -8.774 558 1HD ARG 75 HD1 ARG 75 12.176 -11.913 -7.011 559 2HD ARG 75 HD2 ARG 75 11.488 -10.374 -6.493 560 HE ARG 75 HE ARG 75 10.290 -12.934 -5.671 561 1HH1 ARG 75 HH1 ARG 75 11.668 -9.825 -4.912 562 2HH1 ARG 75 HH1 ARG 75 11.275 -9.917 -3.229 563 1HH2 ARG 75 HH2 ARG 75 9.768 -13.063 -3.453 564 2HH2 ARG 75 HH2 ARG 75 10.195 -11.757 -2.399 565 H ASN 76 HN ASN 76 6.569 -11.221 -9.585 566 HA ASN 76 HA ASN 76 7.819 -13.001 -11.355 567 1HB ASN 76 HB2 ASN 76 5.509 -13.202 -10.286 568 2HB ASN 76 HB1 ASN 76 4.936 -12.132 -11.563 569 1HD2 ASN 76 HD2 ASN 76 4.232 -13.054 -13.343 570 2HD2 ASN 76 HD2 ASN 76 4.590 -14.661 -13.866 571 H HIS 77 HN HIS 77 5.692 -10.253 -12.170 572 HA HIS 77 HA HIS 77 6.377 -10.278 -14.923 573 1HB HIS 77 HB1 HIS 77 4.322 -9.220 -13.658 574 2HB HIS 77 HB2 HIS 77 5.366 -7.805 -13.570 575 HD2 HIS 77 HD2 HIS 77 2.807 -7.356 -15.324 576 HE1 HIS 77 HE1 HIS 77 5.279 -8.189 -18.658 577 HE2 HIS 77 HE2 HIS 77 3.086 -7.167 -17.897 578 H GLY 78 HN GLY 78 7.126 -7.841 -12.416 579 1HA GLY 78 HA1 GLY 78 9.632 -7.441 -12.238 580 2HA GLY 78 HA2 GLY 78 9.540 -7.156 -13.969 581 H TYR 79 HN TYR 79 8.827 -5.892 -10.801 582 HA TYR 79 HA TYR 79 7.818 -3.392 -11.928 583 1HB TYR 79 HB2 TYR 79 7.229 -4.767 -9.582 584 2HB TYR 79 HB1 TYR 79 8.215 -3.414 -9.037 585 HD1 TYR 79 HD1 TYR 79 7.286 -1.464 -11.237 586 HD2 TYR 79 HD2 TYR 79 5.183 -4.043 -8.584 587 HE1 TYR 79 HE1 TYR 79 5.333 0.025 -11.348 588 HE2 TYR 79 HE2 TYR 79 3.224 -2.560 -8.688 589 HH TYR 79 HH TYR 79 3.280 0.495 -9.674 590 H THR 80 HN THR 80 8.775 -1.607 -9.997 591 HA THR 80 HA THR 80 11.446 -1.192 -11.006 592 HB THR 80 HB THR 80 9.902 0.469 -9.008 593 HG1 THR 80 HG1 THR 80 8.670 0.516 -10.789 594 1HG2 THR 80 HG2 THR 80 11.848 1.617 -10.923 595 2HG2 THR 80 HG2 THR 80 12.465 0.802 -9.485 596 3HG2 THR 80 HG2 THR 80 11.368 2.172 -9.320 597 H VAL 81 HN VAL 81 10.354 -0.670 -7.669 598 HA VAL 81 HA VAL 81 12.761 -2.107 -6.762 599 HB VAL 81 HB VAL 81 11.245 0.004 -5.227 600 1HG1 VAL 81 HG2 VAL 81 14.043 -0.996 -4.762 601 2HG1 VAL 81 HG2 VAL 81 12.633 -1.724 -3.992 602 3HG1 VAL 81 HG2 VAL 81 13.030 -0.033 -3.687 603 1HG2 VAL 81 HG1 VAL 81 13.111 0.284 -7.403 604 2HG2 VAL 81 HG1 VAL 81 13.763 0.988 -5.924 605 3HG2 VAL 81 HG1 VAL 81 12.199 1.522 -6.540 606 H LEU 82 HN LEU 82 12.369 -4.012 -5.891 607 HA LEU 82 HA LEU 82 9.886 -4.413 -4.364 608 1HB LEU 82 HB2 LEU 82 10.847 -5.805 -6.666 609 2HB LEU 82 HB1 LEU 82 10.890 -6.906 -5.303 610 HG LEU 82 HG LEU 82 8.793 -7.130 -6.503 611 1HD1 LEU 82 HD1 LEU 82 7.297 -6.988 -4.675 612 2HD1 LEU 82 HD1 LEU 82 8.230 -5.695 -3.922 613 3HD1 LEU 82 HD1 LEU 82 8.890 -7.328 -3.997 614 1HD2 LEU 82 HD2 LEU 82 7.182 -5.137 -6.336 615 2HD2 LEU 82 HD2 LEU 82 8.438 -5.093 -7.573 616 3HD2 LEU 82 HD2 LEU 82 8.634 -4.168 -6.085 617 H ASP 83 HN ASP 83 10.319 -4.672 -2.278 618 HA ASP 83 HA ASP 83 12.485 -6.438 -1.458 619 1HB ASP 83 HB1 ASP 83 13.561 -4.253 -1.470 620 2HB ASP 83 HB2 ASP 83 12.251 -3.575 -0.508 621 H ILE 84 HN ILE 84 12.293 -7.167 0.749 622 HA ILE 84 HA ILE 84 9.704 -6.590 2.007 623 HB ILE 84 HB ILE 84 9.253 -8.891 2.462 624 1HG1 ILE 84 HG1 ILE 84 11.685 -9.687 0.869 625 2HG1 ILE 84 HG1 ILE 84 11.725 -9.499 2.620 626 1HG2 ILE 84 HG2 ILE 84 8.707 -9.686 0.295 627 2HG2 ILE 84 HG2 ILE 84 10.002 -8.744 -0.446 628 3HG2 ILE 84 HG2 ILE 84 8.600 -7.926 0.248 629 1HD1 ILE 84 HD1 ILE 84 9.533 -11.177 1.744 630 2HD1 ILE 84 HD1 ILE 84 10.784 -11.478 2.951 631 3HD1 ILE 84 HD1 ILE 84 11.109 -11.794 1.246 632 H GLN 85 HN GLN 85 9.608 -7.602 4.250 633 HA GLN 85 HA GLN 85 12.133 -7.945 5.602 634 1HB GLN 85 HB1 GLN 85 11.050 -5.360 5.442 635 2HB GLN 85 HB2 GLN 85 10.663 -5.928 7.060 636 1HG GLN 85 HG1 GLN 85 13.436 -6.200 5.983 637 2HG GLN 85 HG2 GLN 85 12.876 -4.668 6.653 638 1HE2 GLN 85 HE2 GLN 85 14.275 -7.615 7.339 639 2HE2 GLN 85 HE2 GLN 85 14.096 -7.602 9.057 640 H GLN 86 HN GLN 86 11.906 -8.876 7.667 641 HA GLN 86 HA GLN 86 9.153 -9.581 8.440 642 1HB GLN 86 HB2 GLN 86 10.210 -11.793 9.239 643 2HB GLN 86 HB1 GLN 86 9.907 -11.592 7.519 644 1HG GLN 86 HG1 GLN 86 12.411 -10.668 7.622 645 2HG GLN 86 HG2 GLN 86 12.457 -11.780 8.990 646 1HE2 GLN 86 HE2 GLN 86 11.662 -13.994 8.552 647 2HE2 GLN 86 HE2 GLN 86 12.025 -14.694 7.014 648 H ASP 87 HN ASP 87 8.767 -9.859 10.665 649 HA ASP 87 HA ASP 87 10.899 -8.797 12.401 650 1HB ASP 87 HB1 ASP 87 7.908 -8.459 12.718 651 2HB ASP 87 HB2 ASP 87 9.138 -7.810 13.798 652 H GLY 88 HN GLY 88 7.762 -10.161 13.279 653 1HA GLY 88 HA2 GLY 88 9.114 -12.527 14.377 654 2HA GLY 88 HA1 GLY 88 8.142 -11.532 15.449 655 HA PRO 89 HA PRO 89 4.723 -14.029 14.184 656 1HB PRO 89 HB2 PRO 89 2.676 -12.607 15.155 657 2HB PRO 89 HB1 PRO 89 3.861 -13.362 16.228 658 1HG PRO 89 HG1 PRO 89 3.648 -10.511 15.342 659 2HG PRO 89 HG2 PRO 89 4.022 -11.158 16.950 660 1HD PRO 89 HD1 PRO 89 5.908 -10.247 15.157 661 2HD PRO 89 HD2 PRO 89 6.238 -11.409 16.456 662 H THR 90 HN THR 90 5.492 -11.216 12.624 663 HA THR 90 HA THR 90 3.446 -11.691 10.599 664 HB THR 90 HB THR 90 3.074 -9.199 10.394 665 HG1 THR 90 HG1 THR 90 4.264 -9.196 12.968 666 1HG2 THR 90 HG2 THR 90 1.588 -10.885 11.726 667 2HG2 THR 90 HG2 THR 90 1.298 -9.149 11.817 668 3HG2 THR 90 HG2 THR 90 2.170 -9.966 13.114 669 H ILE 91 HN ILE 91 3.900 -10.137 8.664 670 HA ILE 91 HA ILE 91 6.751 -9.627 8.314 671 HB ILE 91 HB ILE 91 6.422 -11.936 7.543 672 1HG1 ILE 91 HG1 ILE 91 6.837 -10.179 5.131 673 2HG1 ILE 91 HG1 ILE 91 8.003 -10.221 6.449 674 1HG2 ILE 91 HG2 ILE 91 5.059 -12.391 5.561 675 2HG2 ILE 91 HG2 ILE 91 4.503 -10.718 5.562 676 3HG2 ILE 91 HG2 ILE 91 4.079 -11.787 6.899 677 1HD1 ILE 91 HD1 ILE 91 8.809 -12.218 5.841 678 2HD1 ILE 91 HD1 ILE 91 8.104 -11.806 4.277 679 3HD1 ILE 91 HD1 ILE 91 7.221 -12.845 5.397 680 H ARG 92 HN ARG 92 7.185 -7.949 6.950 681 HA ARG 92 HA ARG 92 4.893 -6.687 5.618 682 1HB ARG 92 HB1 ARG 92 5.319 -5.252 7.395 683 2HB ARG 92 HB2 ARG 92 7.047 -5.576 7.379 684 1HG ARG 92 HG1 ARG 92 6.666 -3.327 6.653 685 2HG ARG 92 HG2 ARG 92 7.222 -4.282 5.275 686 1HD ARG 92 HD1 ARG 92 5.466 -3.325 4.242 687 2HD ARG 92 HD2 ARG 92 4.578 -4.626 5.040 688 HE ARG 92 HE ARG 92 3.506 -3.042 6.278 689 1HH1 ARG 92 HH1 ARG 92 6.485 -1.677 5.096 690 2HH1 ARG 92 HH1 ARG 92 6.162 -0.096 5.725 691 1HH2 ARG 92 HH2 ARG 92 3.072 -0.960 7.111 692 2HH2 ARG 92 HH2 ARG 92 4.223 0.311 6.870 693 H TYR 93 HN TYR 93 5.142 -6.141 3.530 694 HA TYR 93 HA TYR 93 7.861 -6.131 2.400 695 1HB TYR 93 HB2 TYR 93 5.715 -6.714 0.487 696 2HB TYR 93 HB1 TYR 93 7.285 -7.480 0.682 697 HD1 TYR 93 HD1 TYR 93 3.772 -7.790 1.187 698 HD2 TYR 93 HD2 TYR 93 7.542 -9.231 2.519 699 HE1 TYR 93 HE1 TYR 93 2.672 -9.778 2.123 700 HE2 TYR 93 HE2 TYR 93 6.453 -11.224 3.461 701 HH TYR 93 HH TYR 93 4.057 -12.493 2.804 702 H LEU 94 HN LEU 94 8.145 -4.680 0.565 703 HA LEU 94 HA LEU 94 6.061 -2.718 0.095 704 1HB LEU 94 HB1 LEU 94 7.889 -0.897 0.630 705 2HB LEU 94 HB2 LEU 94 6.832 -1.526 1.880 706 HG LEU 94 HG LEU 94 9.359 -3.005 1.536 707 1HD1 LEU 94 HD1 LEU 94 10.843 -1.412 2.168 708 2HD1 LEU 94 HD1 LEU 94 9.635 -0.471 3.043 709 3HD1 LEU 94 HD1 LEU 94 9.721 -0.378 1.283 710 1HD2 LEU 94 HD2 LEU 94 7.357 -2.824 3.416 711 2HD2 LEU 94 HD2 LEU 94 8.680 -1.909 4.142 712 3HD2 LEU 94 HD2 LEU 94 8.933 -3.582 3.646 713 H ILE 95 HN ILE 95 6.323 -1.516 -1.750 714 HA ILE 95 HA ILE 95 8.782 -1.908 -3.301 715 HB ILE 95 HB ILE 95 7.799 -2.715 -5.169 716 1HG1 ILE 95 HG1 ILE 95 5.138 -2.306 -5.417 717 2HG1 ILE 95 HG1 ILE 95 5.551 -0.906 -4.430 718 1HG2 ILE 95 HG2 ILE 95 5.650 -3.503 -3.207 719 2HG2 ILE 95 HG2 ILE 95 7.238 -4.262 -3.320 720 3HG2 ILE 95 HG2 ILE 95 6.116 -4.360 -4.676 721 1HD1 ILE 95 HD1 ILE 95 5.763 -0.039 -6.530 722 2HD1 ILE 95 HD1 ILE 95 6.345 -1.560 -7.220 723 3HD1 ILE 95 HD1 ILE 95 7.419 -0.572 -6.227 724 H GLN 96 HN GLN 96 9.211 -0.221 -4.844 725 HA GLN 96 HA GLN 96 7.513 2.124 -4.829 726 1HB GLN 96 HB1 GLN 96 9.453 3.587 -4.085 727 2HB GLN 96 HB2 GLN 96 8.680 2.626 -2.831 728 1HG GLN 96 HG1 GLN 96 10.587 1.623 -2.336 729 2HG GLN 96 HG2 GLN 96 10.839 1.153 -4.018 730 1HE2 GLN 96 HE2 GLN 96 13.094 1.554 -3.047 731 2HE2 GLN 96 HE2 GLN 96 13.749 3.129 -3.318 732 H LYS 97 HN LYS 97 8.682 3.961 -6.087 733 HA LYS 97 HA LYS 97 10.237 2.769 -8.292 734 1HB LYS 97 HB1 LYS 97 7.710 3.823 -8.483 735 2HB LYS 97 HB2 LYS 97 8.714 5.198 -8.922 736 1HG LYS 97 HG1 LYS 97 9.781 3.051 -10.333 737 2HG LYS 97 HG2 LYS 97 8.031 2.862 -10.447 738 1HD LYS 97 HD1 LYS 97 7.774 5.044 -11.367 739 2HD LYS 97 HD2 LYS 97 9.456 5.451 -11.020 740 1HE LYS 97 HE2 LYS 97 8.853 3.123 -12.781 741 2HE LYS 97 HE1 LYS 97 8.718 4.755 -13.435 742 1HZ LYS 97 HZ1 LYS 97 11.144 4.273 -11.955 743 2HZ LYS 97 HZ2 LYS 97 10.924 5.005 -13.464 744 3HZ LYS 97 HZ3 LYS 97 10.990 3.318 -13.344 Start of MODEL 11 1 1H MET 1 HT1 MET 1 35.895 32.581 15.434 2 2H MET 1 HT2 MET 1 36.489 31.221 14.574 3 3H MET 1 HT3 MET 1 36.805 31.379 16.253 4 HA MET 1 HA MET 1 35.060 30.176 16.631 5 1HB MET 1 HB2 MET 1 34.258 32.696 16.627 6 2HB MET 1 HB1 MET 1 33.293 32.162 15.258 7 1HG MET 1 HG2 MET 1 32.048 30.687 16.551 8 2HG MET 1 HG1 MET 1 33.240 30.669 17.850 9 1HE MET 1 HE1 MET 1 29.569 32.446 18.693 10 2HE MET 1 HE2 MET 1 30.282 30.849 18.473 11 3HE MET 1 HE3 MET 1 29.778 31.791 17.069 12 H GLY 2 HN GLY 2 34.345 28.349 15.744 13 1HA GLY 2 HA2 GLY 2 33.886 28.318 12.830 14 2HA GLY 2 HA1 GLY 2 34.419 26.936 13.775 15 H SER 3 HN SER 3 32.174 28.401 15.639 16 HA SER 3 HA SER 3 30.134 26.483 14.850 17 1HB SER 3 HB2 SER 3 30.844 26.791 17.251 18 2HB SER 3 HB1 SER 3 30.088 28.384 17.202 19 HG SER 3 HG SER 3 28.340 27.344 17.711 20 H SER 4 HN SER 4 28.524 27.014 13.546 21 HA SER 4 HA SER 4 27.720 29.844 13.380 22 1HB SER 4 HB2 SER 4 28.518 29.359 11.244 23 2HB SER 4 HB1 SER 4 27.932 27.696 11.293 24 HG SER 4 HG SER 4 26.284 30.004 11.153 25 H HIS 5 HN HIS 5 25.915 30.137 14.511 26 HA HIS 5 HA HIS 5 23.666 28.321 14.027 27 1HB HIS 5 HB2 HIS 5 23.093 28.634 16.521 28 2HB HIS 5 HB1 HIS 5 24.375 27.500 16.110 29 HD2 HIS 5 HD2 HIS 5 26.800 28.010 17.209 30 HE1 HIS 5 HE1 HIS 5 25.786 31.769 18.873 31 HE2 HIS 5 HE2 HIS 5 27.561 29.963 18.741 32 H HIS 6 HN HIS 6 24.021 30.745 12.782 33 HA HIS 6 HA HIS 6 22.061 32.479 14.138 34 1HB HIS 6 HB2 HIS 6 24.212 33.269 12.159 35 2HB HIS 6 HB1 HIS 6 23.049 34.365 12.899 36 HD2 HIS 6 HD2 HIS 6 26.543 33.895 13.313 37 HE1 HIS 6 HE1 HIS 6 25.157 34.001 17.312 38 HE2 HIS 6 HE2 HIS 6 27.193 34.177 15.810 39 H HIS 7 HN HIS 7 20.199 31.665 13.251 40 HA HIS 7 HA HIS 7 19.963 31.873 10.321 41 1HB HIS 7 HB1 HIS 7 18.610 29.945 12.216 42 2HB HIS 7 HB2 HIS 7 18.148 30.145 10.528 43 HD2 HIS 7 HD2 HIS 7 20.596 28.183 12.658 44 HE1 HIS 7 HE1 HIS 7 21.832 27.784 8.629 45 HE2 HIS 7 HE2 HIS 7 22.145 26.928 10.996 46 H HIS 8 HN HIS 8 18.688 33.462 9.677 47 HA HIS 8 HA HIS 8 16.575 34.401 11.499 48 1HB HIS 8 HB2 HIS 8 16.754 36.472 9.856 49 2HB HIS 8 HB1 HIS 8 17.860 36.287 11.213 50 HD2 HIS 8 HD2 HIS 8 17.862 36.067 7.325 51 HE1 HIS 8 HE1 HIS 8 21.851 35.932 8.737 52 HE2 HIS 8 HE2 HIS 8 20.375 36.087 6.679 53 H HIS 9 HN HIS 9 14.852 35.691 10.054 54 HA HIS 9 HA HIS 9 13.408 33.718 8.665 55 1HB HIS 9 HB1 HIS 9 13.098 36.718 8.813 56 2HB HIS 9 HB2 HIS 9 11.967 35.687 7.942 57 HD2 HIS 9 HD2 HIS 9 10.299 36.943 10.067 58 HE1 HIS 9 HE1 HIS 9 11.453 33.891 12.766 59 HE2 HIS 9 HE2 HIS 9 9.789 35.753 12.317 60 H HIS 10 HN HIS 10 14.459 32.839 6.940 61 HA HIS 10 HA HIS 10 15.600 34.556 4.895 62 1HB HIS 10 HB2 HIS 10 15.516 31.575 5.316 63 2HB HIS 10 HB1 HIS 10 16.073 32.273 3.799 64 HD2 HIS 10 HD2 HIS 10 18.277 34.219 4.294 65 HE1 HIS 10 HE1 HIS 10 19.618 31.851 7.537 66 HE2 HIS 10 HE2 HIS 10 20.231 33.710 5.925 67 H SER 11 HN SER 11 15.101 34.000 2.568 68 HA SER 11 HA SER 11 12.310 34.368 2.123 69 1HB SER 11 HB2 SER 11 13.026 34.161 -0.331 70 2HB SER 11 HB1 SER 11 13.748 35.474 0.600 71 HG SER 11 HG SER 11 14.917 33.227 -0.491 72 H SER 12 HN SER 12 14.551 31.793 1.083 73 HA SER 12 HA SER 12 12.343 29.876 1.312 74 1HB SER 12 HB2 SER 12 14.241 29.765 -1.027 75 2HB SER 12 HB1 SER 12 12.690 28.949 -0.829 76 HG SER 12 HG SER 12 12.004 30.590 -1.966 77 H GLY 13 HN GLY 13 13.126 28.784 3.042 78 1HA GLY 13 HA1 GLY 13 15.911 27.840 2.938 79 2HA GLY 13 HA2 GLY 13 14.924 27.939 4.387 80 H LEU 14 HN LEU 14 15.184 26.242 1.281 81 HA LEU 14 HA LEU 14 13.544 24.055 2.223 82 1HB LEU 14 HB2 LEU 14 15.144 24.418 -0.312 83 2HB LEU 14 HB1 LEU 14 14.110 23.040 0.017 84 HG LEU 14 HG LEU 14 12.913 25.769 0.152 85 1HD1 LEU 14 HD1 LEU 14 12.473 24.924 -2.450 86 2HD1 LEU 14 HD1 LEU 14 14.201 24.674 -2.194 87 3HD1 LEU 14 HD1 LEU 14 13.491 26.268 -1.934 88 1HD2 LEU 14 HD2 LEU 14 12.024 22.978 -0.408 89 2HD2 LEU 14 HD2 LEU 14 11.080 24.334 -1.022 90 3HD2 LEU 14 HD2 LEU 14 11.358 24.168 0.711 91 H VAL 15 HN VAL 15 14.217 22.088 2.919 92 HA VAL 15 HA VAL 15 17.127 21.645 3.084 93 HB VAL 15 HB VAL 15 15.130 20.696 5.135 94 1HG1 VAL 15 HG2 VAL 15 17.872 21.045 5.985 95 2HG1 VAL 15 HG2 VAL 15 17.751 19.939 4.616 96 3HG1 VAL 15 HG2 VAL 15 16.832 19.625 6.088 97 1HG2 VAL 15 HG1 VAL 15 16.397 22.546 6.510 98 2HG2 VAL 15 HG1 VAL 15 14.993 22.951 5.524 99 3HG2 VAL 15 HG1 VAL 15 16.617 23.267 4.916 100 HA PRO 16 HA PRO 16 15.613 17.980 0.862 101 1HB PRO 16 HB2 PRO 16 17.884 17.454 -0.461 102 2HB PRO 16 HB1 PRO 16 16.813 18.772 -0.953 103 1HG PRO 16 HG2 PRO 16 19.346 18.880 0.647 104 2HG PRO 16 HG1 PRO 16 18.810 19.941 -0.669 105 1HD PRO 16 HD1 PRO 16 18.574 20.574 1.983 106 2HD PRO 16 HD2 PRO 16 17.499 21.206 0.722 107 H ARG 17 HN ARG 17 17.766 18.399 3.372 108 HA ARG 17 HA ARG 17 18.770 15.675 3.427 109 1HB ARG 17 HB1 ARG 17 19.554 18.172 4.564 110 2HB ARG 17 HB2 ARG 17 19.274 17.038 5.878 111 1HG ARG 17 HG1 ARG 17 20.975 15.643 5.222 112 2HG ARG 17 HG2 ARG 17 20.912 16.181 3.542 113 1HD ARG 17 HD1 ARG 17 21.556 18.450 5.062 114 2HD ARG 17 HD2 ARG 17 22.545 17.138 5.704 115 HE ARG 17 HE ARG 17 22.494 17.799 2.833 116 1HH1 ARG 17 HH1 ARG 17 24.214 17.121 5.787 117 2HH1 ARG 17 HH1 ARG 17 25.772 17.122 5.032 118 1HH2 ARG 17 HH2 ARG 17 24.542 17.801 1.831 119 2HH2 ARG 17 HH2 ARG 17 25.958 17.508 2.783 120 H GLY 18 HN GLY 18 15.837 16.578 3.814 121 1HA GLY 18 HA1 GLY 18 15.403 14.986 6.266 122 2HA GLY 18 HA2 GLY 18 14.451 16.421 5.914 123 H SER 19 HN SER 19 14.244 15.866 3.069 124 HA SER 19 HA SER 19 12.067 13.946 3.220 125 1HB SER 19 HB1 SER 19 12.332 16.321 1.886 126 2HB SER 19 HB2 SER 19 12.669 15.159 0.603 127 HG SER 19 HG SER 19 10.564 15.078 0.508 128 H HIS 20 HN HIS 20 11.795 12.463 1.271 129 HA HIS 20 HA HIS 20 14.289 10.981 0.942 130 1HB HIS 20 HB1 HIS 20 11.453 10.184 0.246 131 2HB HIS 20 HB2 HIS 20 12.864 9.133 0.191 132 HD2 HIS 20 HD2 HIS 20 10.196 8.707 2.206 133 HE1 HIS 20 HE1 HIS 20 13.134 9.410 5.172 134 HE2 HIS 20 HE2 HIS 20 10.817 8.485 4.716 135 H MET 21 HN MET 21 14.715 9.961 -1.189 136 HA MET 21 HA MET 21 14.380 11.957 -3.290 137 1HB MET 21 HB2 MET 21 16.101 10.583 -4.489 138 2HB MET 21 HB1 MET 21 16.641 11.247 -2.953 139 1HG MET 21 HG1 MET 21 15.971 8.980 -1.962 140 2HG MET 21 HG2 MET 21 15.950 8.417 -3.633 141 1HE MET 21 HE1 MET 21 17.586 8.183 -5.091 142 2HE MET 21 HE2 MET 21 18.567 6.988 -4.242 143 3HE MET 21 HE3 MET 21 19.323 8.430 -4.917 144 H LYS 22 HN LYS 22 12.983 9.056 -2.306 145 HA LYS 22 HA LYS 22 12.310 8.067 -4.932 146 1HB LYS 22 HB1 LYS 22 10.907 6.439 -3.682 147 2HB LYS 22 HB2 LYS 22 12.583 6.460 -3.150 148 1HG LYS 22 HG1 LYS 22 11.980 7.784 -1.211 149 2HG LYS 22 HG2 LYS 22 10.302 7.851 -1.759 150 1HD LYS 22 HD2 LYS 22 9.997 5.530 -1.417 151 2HD LYS 22 HD1 LYS 22 11.729 5.258 -1.221 152 1HE LYS 22 HE2 LYS 22 11.574 6.793 0.807 153 2HE LYS 22 HE1 LYS 22 9.826 6.610 0.670 154 1HZ LYS 22 HZ1 LYS 22 10.004 4.288 1.030 155 2HZ LYS 22 HZ2 LYS 22 10.927 5.037 2.233 156 3HZ LYS 22 HZ3 LYS 22 11.690 4.316 0.907 157 H ASN 23 HN ASN 23 9.715 7.371 -4.845 158 HA ASN 23 HA ASN 23 8.209 9.847 -4.373 159 1HB ASN 23 HB2 ASN 23 8.981 8.997 -6.902 160 2HB ASN 23 HB1 ASN 23 7.318 8.434 -6.762 161 1HD2 ASN 23 HD2 ASN 23 6.564 9.882 -8.283 162 2HD2 ASN 23 HD2 ASN 23 6.431 11.576 -7.966 163 H ILE 24 HN ILE 24 6.019 9.588 -3.920 164 HA ILE 24 HA ILE 24 5.078 6.819 -3.573 165 HB ILE 24 HB ILE 24 4.149 8.831 -1.605 166 1HG1 ILE 24 HG1 ILE 24 6.393 7.686 -0.387 167 2HG1 ILE 24 HG1 ILE 24 6.960 8.211 -1.969 168 1HG2 ILE 24 HG2 ILE 24 3.296 6.545 -1.617 169 2HG2 ILE 24 HG2 ILE 24 4.164 6.897 -0.123 170 3HG2 ILE 24 HG2 ILE 24 4.932 5.930 -1.382 171 1HD1 ILE 24 HD1 ILE 24 5.592 10.395 -1.219 172 2HD1 ILE 24 HD1 ILE 24 7.305 10.144 -0.887 173 3HD1 ILE 24 HD1 ILE 24 6.106 9.790 0.356 174 H VAL 25 HN VAL 25 3.309 6.527 -4.783 175 HA VAL 25 HA VAL 25 1.828 8.690 -5.861 176 HB VAL 25 HB VAL 25 1.289 5.732 -5.860 177 1HG1 VAL 25 HG2 VAL 25 -0.338 7.952 -7.086 178 2HG1 VAL 25 HG2 VAL 25 -0.873 6.744 -5.917 179 3HG1 VAL 25 HG2 VAL 25 -0.469 6.259 -7.564 180 1HG2 VAL 25 HG1 VAL 25 3.058 7.214 -7.309 181 2HG2 VAL 25 HG1 VAL 25 1.651 7.193 -8.371 182 3HG2 VAL 25 HG1 VAL 25 2.366 5.675 -7.825 183 HA PRO 26 HA PRO 26 2.031 5.796 -3.630 184 1HB PRO 26 HB1 PRO 26 0.938 4.299 -1.721 185 2HB PRO 26 HB2 PRO 26 1.768 5.807 -1.316 186 1HG PRO 26 HG2 PRO 26 -1.150 5.220 -1.447 187 2HG PRO 26 HG1 PRO 26 -0.269 6.296 -0.352 188 1HD PRO 26 HD1 PRO 26 -1.672 7.046 -2.683 189 2HD PRO 26 HD2 PRO 26 -0.568 8.063 -1.740 190 H ASP 27 HN ASP 27 1.844 3.457 -4.121 191 HA ASP 27 HA ASP 27 -0.109 3.010 -6.141 192 1HB ASP 27 HB2 ASP 27 2.192 2.028 -6.166 193 2HB ASP 27 HB1 ASP 27 1.702 0.958 -4.856 194 H TYR 28 HN TYR 28 0.485 0.540 -3.697 195 HA TYR 28 HA TYR 28 -2.326 0.717 -2.878 196 1HB TYR 28 HB1 TYR 28 -1.976 -1.002 -4.762 197 2HB TYR 28 HB2 TYR 28 -1.149 -1.969 -3.545 198 HD1 TYR 28 HD1 TYR 28 -4.311 0.034 -3.680 199 HD2 TYR 28 HD2 TYR 28 -2.447 -3.656 -2.674 200 HE1 TYR 28 HE1 TYR 28 -6.476 -0.843 -2.912 201 HE2 TYR 28 HE2 TYR 28 -4.607 -4.542 -1.902 202 HH TYR 28 HH TYR 28 -6.932 -4.178 -2.122 203 H ARG 29 HN ARG 29 -2.812 -0.729 -0.999 204 HA ARG 29 HA ARG 29 -0.463 -1.223 0.682 205 1HB ARG 29 HB2 ARG 29 -1.922 -0.361 2.630 206 2HB ARG 29 HB1 ARG 29 -1.144 0.821 1.587 207 1HG ARG 29 HG2 ARG 29 -3.598 0.362 0.382 208 2HG ARG 29 HG1 ARG 29 -3.950 0.380 2.111 209 1HD ARG 29 HD1 ARG 29 -4.149 2.614 1.502 210 2HD ARG 29 HD2 ARG 29 -2.519 2.515 2.166 211 HE ARG 29 HE ARG 29 -1.670 2.557 -0.089 212 1HH1 ARG 29 HH2 ARG 29 -5.050 3.321 0.279 213 2HH1 ARG 29 HH2 ARG 29 -5.155 4.162 -1.232 214 1HH2 ARG 29 HH1 ARG 29 -1.801 3.662 -2.079 215 2HH2 ARG 29 HH1 ARG 29 -3.310 4.356 -2.571 216 H LEU 30 HN LEU 30 -0.527 -3.382 0.868 217 HA LEU 30 HA LEU 30 -3.107 -4.692 1.358 218 1HB LEU 30 HB2 LEU 30 -1.391 -5.359 -0.509 219 2HB LEU 30 HB1 LEU 30 -0.555 -6.161 0.805 220 HG LEU 30 HG LEU 30 -2.142 -7.568 -0.627 221 1HD1 LEU 30 HD2 LEU 30 -2.886 -8.875 1.302 222 2HD1 LEU 30 HD2 LEU 30 -2.501 -7.525 2.368 223 3HD1 LEU 30 HD2 LEU 30 -1.214 -8.346 1.485 224 1HD2 LEU 30 HD1 LEU 30 -4.145 -5.983 0.975 225 2HD2 LEU 30 HD1 LEU 30 -4.510 -7.511 0.175 226 3HD2 LEU 30 HD1 LEU 30 -4.026 -6.110 -0.779 227 H ASP 31 HN ASP 31 -3.138 -4.003 3.593 228 HA ASP 31 HA ASP 31 -1.168 -5.338 5.311 229 1HB ASP 31 HB2 ASP 31 -3.217 -3.389 6.319 230 2HB ASP 31 HB1 ASP 31 -1.618 -3.753 6.964 231 H MET 32 HN MET 32 -2.411 -7.355 4.641 232 HA MET 32 HA MET 32 -4.456 -7.867 6.671 233 1HB MET 32 HB1 MET 32 -4.716 -8.500 3.732 234 2HB MET 32 HB2 MET 32 -5.711 -9.258 4.968 235 1HG MET 32 HG1 MET 32 -5.801 -6.452 5.368 236 2HG MET 32 HG2 MET 32 -6.089 -6.776 3.659 237 1HE MET 32 HE1 MET 32 -8.546 -5.944 6.488 238 2HE MET 32 HE2 MET 32 -7.076 -6.716 7.080 239 3HE MET 32 HE3 MET 32 -8.632 -7.527 7.260 240 H VAL 33 HN VAL 33 -4.052 -10.269 4.274 241 HA VAL 33 HA VAL 33 -2.054 -11.703 5.884 242 HB VAL 33 HB VAL 33 -4.523 -13.048 4.783 243 1HG1 VAL 33 HG1 VAL 33 -2.931 -14.163 7.013 244 2HG1 VAL 33 HG1 VAL 33 -2.198 -14.190 5.410 245 3HG1 VAL 33 HG1 VAL 33 -3.750 -14.980 5.683 246 1HG2 VAL 33 HG2 VAL 33 -4.155 -12.576 7.702 247 2HG2 VAL 33 HG2 VAL 33 -5.634 -12.844 6.781 248 3HG2 VAL 33 HG2 VAL 33 -4.814 -11.285 6.700 249 H GLY 34 HN GLY 34 -0.795 -13.207 4.740 250 1HA GLY 34 HA2 GLY 34 -0.513 -12.594 1.930 251 2HA GLY 34 HA1 GLY 34 0.527 -13.644 2.880 252 H GLU 35 HN GLU 35 -2.925 -13.651 1.971 253 HA GLU 35 HA GLU 35 -2.888 -16.509 1.630 254 1HB GLU 35 HB1 GLU 35 -5.195 -16.388 1.477 255 2HB GLU 35 HB2 GLU 35 -4.833 -14.978 2.461 256 1HG GLU 35 HG2 GLU 35 -4.784 -13.757 0.148 257 2HG GLU 35 HG1 GLU 35 -5.757 -15.139 -0.358 258 HA PRO 36 HA PRO 36 -2.228 -16.437 -2.746 259 1HB PRO 36 HB2 PRO 36 -3.049 -18.946 -3.355 260 2HB PRO 36 HB1 PRO 36 -1.587 -18.615 -2.423 261 1HG PRO 36 HG2 PRO 36 -4.130 -19.761 -1.540 262 2HG PRO 36 HG1 PRO 36 -2.555 -19.779 -0.736 263 1HD PRO 36 HD2 PRO 36 -4.825 -18.047 -0.242 264 2HD PRO 36 HD1 PRO 36 -3.311 -18.180 0.672 265 H CYS 37 HN CYS 37 -5.059 -15.640 -1.735 266 HA CYS 37 HA CYS 37 -6.744 -16.511 -3.924 267 1HB CYS 37 HB2 CYS 37 -7.118 -15.039 -1.384 268 2HB CYS 37 HB1 CYS 37 -8.199 -14.582 -2.698 269 HG CYS 37 HG CYS 37 -8.255 -17.553 -2.389 270 HA PRO 38 HA PRO 38 -5.892 -13.031 -6.526 271 1HB PRO 38 HB1 PRO 38 -8.039 -13.060 -8.130 272 2HB PRO 38 HB2 PRO 38 -6.845 -14.364 -8.165 273 1HG PRO 38 HG1 PRO 38 -9.521 -14.277 -6.820 274 2HG PRO 38 HG2 PRO 38 -8.783 -15.589 -7.756 275 1HD PRO 38 HD2 PRO 38 -8.796 -15.486 -5.016 276 2HD PRO 38 HD1 PRO 38 -7.566 -16.341 -5.967 277 H TYR 39 HN TYR 39 -6.365 -11.802 -4.333 278 HA TYR 39 HA TYR 39 -8.392 -9.792 -4.969 279 1HB TYR 39 HB2 TYR 39 -8.321 -11.514 -2.550 280 2HB TYR 39 HB1 TYR 39 -8.721 -9.816 -2.308 281 HD1 TYR 39 HD1 TYR 39 -9.759 -12.921 -4.018 282 HD2 TYR 39 HD2 TYR 39 -10.845 -8.953 -2.933 283 HE1 TYR 39 HE1 TYR 39 -12.083 -13.383 -4.675 284 HE2 TYR 39 HE2 TYR 39 -13.172 -9.405 -3.587 285 HH TYR 39 HH TYR 39 -14.299 -11.142 -5.300 286 HA PRO 40 HA PRO 40 -5.220 -7.907 -1.770 287 1HB PRO 40 HB2 PRO 40 -2.871 -9.319 -1.532 288 2HB PRO 40 HB1 PRO 40 -4.221 -9.423 -0.399 289 1HG PRO 40 HG2 PRO 40 -3.506 -11.239 -2.667 290 2HG PRO 40 HG1 PRO 40 -4.060 -11.650 -1.033 291 1HD PRO 40 HD2 PRO 40 -5.729 -11.722 -3.122 292 2HD PRO 40 HD1 PRO 40 -6.275 -11.164 -1.526 293 H ALA 41 HN ALA 41 -2.642 -9.627 -3.383 294 HA ALA 41 HA ALA 41 -1.404 -7.381 -4.404 295 1HB ALA 41 HB1 ALA 41 0.025 -9.138 -4.333 296 2HB ALA 41 HB2 ALA 41 -0.381 -9.180 -6.047 297 3HB ALA 41 HB3 ALA 41 -1.172 -10.288 -4.925 298 H VAL 42 HN VAL 42 -4.320 -8.504 -5.497 299 HA VAL 42 HA VAL 42 -4.285 -8.541 -8.230 300 HB VAL 42 HB VAL 42 -6.302 -7.450 -6.298 301 1HG1 VAL 42 HG1 VAL 42 -6.593 -6.011 -8.194 302 2HG1 VAL 42 HG1 VAL 42 -7.885 -7.211 -8.208 303 3HG1 VAL 42 HG1 VAL 42 -6.515 -7.379 -9.304 304 1HG2 VAL 42 HG2 VAL 42 -6.447 -9.723 -8.271 305 2HG2 VAL 42 HG2 VAL 42 -7.590 -9.357 -6.979 306 3HG2 VAL 42 HG2 VAL 42 -5.957 -9.894 -6.585 307 H ALA 43 HN ALA 43 -3.963 -5.755 -6.116 308 HA ALA 43 HA ALA 43 -4.151 -3.803 -8.209 309 1HB ALA 43 HB1 ALA 43 -3.052 -2.347 -6.354 310 2HB ALA 43 HB2 ALA 43 -3.402 -3.733 -5.321 311 3HB ALA 43 HB3 ALA 43 -4.713 -2.908 -6.163 312 H THR 44 HN THR 44 -1.490 -5.258 -6.371 313 HA THR 44 HA THR 44 0.657 -3.848 -7.322 314 HB THR 44 HB THR 44 0.451 -6.787 -6.671 315 HG1 THR 44 HG1 THR 44 0.131 -5.735 -4.835 316 1HG2 THR 44 HG2 THR 44 2.575 -7.113 -7.154 317 2HG2 THR 44 HG2 THR 44 3.043 -5.722 -6.176 318 3HG2 THR 44 HG2 THR 44 2.636 -5.506 -7.878 319 H LEU 45 HN LEU 45 -0.836 -6.702 -8.830 320 HA LEU 45 HA LEU 45 0.950 -6.891 -10.991 321 1HB LEU 45 HB1 LEU 45 -1.850 -7.857 -10.525 322 2HB LEU 45 HB2 LEU 45 -1.082 -8.081 -12.083 323 HG LEU 45 HG LEU 45 -0.161 -9.199 -9.433 324 1HD1 LEU 45 HD1 LEU 45 -0.899 -10.727 -11.903 325 2HD1 LEU 45 HD1 LEU 45 -2.115 -10.239 -10.723 326 3HD1 LEU 45 HD1 LEU 45 -0.788 -11.293 -10.237 327 1HD2 LEU 45 HD2 LEU 45 1.506 -10.408 -10.969 328 2HD2 LEU 45 HD2 LEU 45 1.847 -8.737 -10.514 329 3HD2 LEU 45 HD2 LEU 45 1.184 -9.100 -12.108 330 H GLU 46 HN GLU 46 -2.359 -5.556 -10.940 331 HA GLU 46 HA GLU 46 -2.253 -4.503 -13.553 332 1HB GLU 46 HB2 GLU 46 -3.966 -3.426 -11.327 333 2HB GLU 46 HB1 GLU 46 -4.311 -3.435 -13.052 334 1HG GLU 46 HG2 GLU 46 -4.067 -5.906 -11.362 335 2HG GLU 46 HG1 GLU 46 -5.591 -5.099 -11.729 336 H ALA 47 HN ALA 47 -0.678 -3.545 -10.779 337 HA ALA 47 HA ALA 47 -0.708 -0.700 -11.158 338 1HB ALA 47 HB1 ALA 47 1.542 -1.282 -9.659 339 2HB ALA 47 HB2 ALA 47 0.407 -2.567 -9.246 340 3HB ALA 47 HB3 ALA 47 -0.059 -0.879 -9.039 341 H MET 48 HN MET 48 1.475 -3.345 -11.990 342 HA MET 48 HA MET 48 3.673 -1.935 -12.840 343 1HB MET 48 HB1 MET 48 4.398 -3.996 -13.232 344 2HB MET 48 HB2 MET 48 2.767 -4.600 -12.992 345 1HG MET 48 HG2 MET 48 2.434 -4.962 -15.170 346 2HG MET 48 HG1 MET 48 3.288 -3.499 -15.659 347 1HE MET 48 HE1 MET 48 3.933 -4.514 -17.560 348 2HE MET 48 HE2 MET 48 4.889 -5.978 -17.789 349 3HE MET 48 HE3 MET 48 5.693 -4.440 -17.482 350 HA PRO 49 HA PRO 49 1.794 -1.466 -17.264 351 1HB PRO 49 HB1 PRO 49 -0.906 -1.550 -17.495 352 2HB PRO 49 HB2 PRO 49 0.118 -2.976 -17.698 353 1HG PRO 49 HG2 PRO 49 -1.472 -2.103 -15.317 354 2HG PRO 49 HG1 PRO 49 -1.285 -3.726 -16.005 355 1HD PRO 49 HD1 PRO 49 0.090 -2.887 -13.821 356 2HD PRO 49 HD2 PRO 49 0.746 -4.065 -14.975 357 H GLN 50 HN GLN 50 -0.642 -0.471 -14.852 358 HA GLN 50 HA GLN 50 -0.909 2.158 -15.942 359 1HB GLN 50 HB1 GLN 50 -2.260 0.555 -14.024 360 2HB GLN 50 HB2 GLN 50 -1.801 2.053 -13.226 361 1HG GLN 50 HG1 GLN 50 -3.037 3.361 -14.721 362 2HG GLN 50 HG2 GLN 50 -3.184 2.044 -15.884 363 1HE2 GLN 50 HE2 GLN 50 -5.314 1.757 -16.027 364 2HE2 GLN 50 HE2 GLN 50 -6.362 1.408 -14.699 365 H LEU 51 HN LEU 51 1.750 1.032 -14.751 366 HA LEU 51 HA LEU 51 2.585 2.319 -12.514 367 1HB LEU 51 HB2 LEU 51 4.730 1.880 -13.193 368 2HB LEU 51 HB1 LEU 51 3.829 0.778 -14.210 369 HG LEU 51 HG LEU 51 4.123 3.287 -15.572 370 1HD1 LEU 51 HD1 LEU 51 6.717 2.032 -14.693 371 2HD1 LEU 51 HD1 LEU 51 6.081 3.563 -14.093 372 3HD1 LEU 51 HD1 LEU 51 6.519 3.396 -15.794 373 1HD2 LEU 51 HD2 LEU 51 5.311 0.572 -16.125 374 2HD2 LEU 51 HD2 LEU 51 5.112 1.889 -17.281 375 3HD2 LEU 51 HD2 LEU 51 3.694 1.094 -16.597 376 H LYS 52 HN LYS 52 3.803 4.244 -12.116 377 HA LYS 52 HA LYS 52 3.220 6.445 -13.984 378 1HB LYS 52 HB2 LYS 52 2.916 6.341 -10.990 379 2HB LYS 52 HB1 LYS 52 3.120 7.870 -11.834 380 1HG LYS 52 HG1 LYS 52 1.058 6.204 -13.024 381 2HG LYS 52 HG2 LYS 52 0.738 6.594 -11.333 382 1HD LYS 52 HD2 LYS 52 1.160 8.993 -11.884 383 2HD LYS 52 HD1 LYS 52 1.261 8.530 -13.585 384 1HE LYS 52 HE1 LYS 52 -0.948 9.279 -13.263 385 2HE LYS 52 HE2 LYS 52 -1.043 7.519 -13.305 386 1HZ LYS 52 HZ1 LYS 52 -1.730 9.315 -11.197 387 2HZ LYS 52 HZ2 LYS 52 -0.657 8.120 -10.668 388 3HZ LYS 52 HZ3 LYS 52 -2.124 7.682 -11.388 389 H LYS 53 HN LYS 53 4.549 8.455 -12.594 390 HA LYS 53 HA LYS 53 7.308 7.721 -13.135 391 1HB LYS 53 HB1 LYS 53 6.053 10.387 -12.453 392 2HB LYS 53 HB2 LYS 53 7.745 10.150 -12.868 393 1HG LYS 53 HG1 LYS 53 7.177 9.474 -15.089 394 2HG LYS 53 HG2 LYS 53 5.457 9.453 -14.693 395 1HD LYS 53 HD2 LYS 53 5.822 11.949 -14.091 396 2HD LYS 53 HD1 LYS 53 7.283 11.794 -15.068 397 1HE LYS 53 HE2 LYS 53 6.050 11.250 -17.005 398 2HE LYS 53 HE1 LYS 53 4.577 10.968 -16.078 399 1HZ LYS 53 HZ1 LYS 53 4.134 13.037 -16.840 400 2HZ LYS 53 HZ2 LYS 53 5.761 13.483 -16.960 401 3HZ LYS 53 HZ3 LYS 53 4.994 13.486 -15.454 402 H GLY 54 HN GLY 54 6.259 6.460 -10.879 403 1HA GLY 54 HA2 GLY 54 7.932 6.215 -8.977 404 2HA GLY 54 HA1 GLY 54 7.544 7.896 -8.645 405 H GLU 55 HN GLU 55 6.838 4.744 -7.854 406 HA GLU 55 HA GLU 55 4.386 5.585 -6.495 407 1HB GLU 55 HB2 GLU 55 3.300 3.470 -7.003 408 2HB GLU 55 HB1 GLU 55 3.706 4.327 -8.481 409 1HG GLU 55 HG1 GLU 55 5.579 2.881 -8.871 410 2HG GLU 55 HG2 GLU 55 5.351 2.097 -7.308 411 H ILE 56 HN ILE 56 3.727 3.458 -5.058 412 HA ILE 56 HA ILE 56 5.954 2.167 -3.836 413 HB ILE 56 HB ILE 56 4.952 4.673 -2.649 414 1HG1 ILE 56 HG1 ILE 56 7.467 3.089 -2.092 415 2HG1 ILE 56 HG1 ILE 56 7.298 4.178 -3.465 416 1HG2 ILE 56 HG2 ILE 56 5.426 2.245 -0.930 417 2HG2 ILE 56 HG2 ILE 56 3.930 3.168 -1.076 418 3HG2 ILE 56 HG2 ILE 56 5.349 3.901 -0.331 419 1HD1 ILE 56 HD1 ILE 56 7.648 5.984 -2.215 420 2HD1 ILE 56 HD1 ILE 56 8.268 4.855 -1.011 421 3HD1 ILE 56 HD1 ILE 56 6.595 5.408 -0.921 422 H LEU 57 HN LEU 57 5.336 0.605 -2.277 423 HA LEU 57 HA LEU 57 2.438 0.149 -2.047 424 1HB LEU 57 HB2 LEU 57 4.017 -1.387 -3.562 425 2HB LEU 57 HB1 LEU 57 4.252 -2.186 -2.036 426 HG LEU 57 HG LEU 57 1.711 -2.335 -1.894 427 1HD1 LEU 57 HD2 LEU 57 1.992 -0.897 -4.357 428 2HD1 LEU 57 HD2 LEU 57 0.533 -1.290 -3.449 429 3HD1 LEU 57 HD2 LEU 57 1.165 -2.430 -4.637 430 1HD2 LEU 57 HD1 LEU 57 2.758 -4.355 -2.262 431 2HD2 LEU 57 HD1 LEU 57 3.443 -3.841 -3.804 432 3HD2 LEU 57 HD1 LEU 57 1.725 -4.220 -3.685 433 H GLU 58 HN GLU 58 1.827 -1.148 -0.219 434 HA GLU 58 HA GLU 58 3.854 -1.501 1.787 435 1HB GLU 58 HB1 GLU 58 1.319 -0.134 2.659 436 2HB GLU 58 HB2 GLU 58 2.863 -0.220 3.494 437 1HG GLU 58 HG1 GLU 58 3.843 1.315 1.886 438 2HG GLU 58 HG2 GLU 58 2.319 1.377 0.997 439 H VAL 59 HN VAL 59 3.649 -3.615 2.122 440 HA VAL 59 HA VAL 59 0.933 -4.728 2.402 441 HB VAL 59 HB VAL 59 3.425 -6.186 1.538 442 1HG1 VAL 59 HG1 VAL 59 0.601 -7.150 1.266 443 2HG1 VAL 59 HG1 VAL 59 1.511 -7.408 2.755 444 3HG1 VAL 59 HG1 VAL 59 2.101 -8.077 1.234 445 1HG2 VAL 59 HG2 VAL 59 2.804 -5.958 -0.662 446 2HG2 VAL 59 HG2 VAL 59 2.310 -4.393 -0.015 447 3HG2 VAL 59 HG2 VAL 59 1.111 -5.661 -0.267 448 H VAL 60 HN VAL 60 0.456 -5.113 4.451 449 HA VAL 60 HA VAL 60 2.527 -6.286 6.189 450 HB VAL 60 HB VAL 60 0.222 -4.512 7.010 451 1HG1 VAL 60 HG1 VAL 60 0.473 -6.078 8.748 452 2HG1 VAL 60 HG1 VAL 60 1.385 -4.662 9.270 453 3HG1 VAL 60 HG1 VAL 60 2.231 -6.064 8.618 454 1HG2 VAL 60 HG2 VAL 60 2.428 -3.296 7.947 455 2HG2 VAL 60 HG2 VAL 60 1.716 -2.942 6.373 456 3HG2 VAL 60 HG2 VAL 60 3.088 -4.045 6.493 457 H SER 61 HN SER 61 2.028 -8.413 5.807 458 HA SER 61 HA SER 61 -0.694 -9.244 6.549 459 1HB SER 61 HB1 SER 61 -0.330 -11.152 4.904 460 2HB SER 61 HB2 SER 61 -0.542 -9.552 4.195 461 HG SER 61 HG SER 61 1.207 -10.429 3.196 462 H ASP 62 HN ASP 62 -0.776 -11.650 7.027 463 HA ASP 62 HA ASP 62 1.554 -12.399 8.672 464 1HB ASP 62 HB1 ASP 62 -1.151 -12.032 9.416 465 2HB ASP 62 HB2 ASP 62 -0.822 -13.758 9.497 466 H CYS 63 HN CYS 63 2.579 -14.183 8.045 467 HA CYS 63 HA CYS 63 1.084 -16.402 6.905 468 1HB CYS 63 HB2 CYS 63 2.513 -16.593 4.939 469 2HB CYS 63 HB1 CYS 63 1.715 -15.024 4.954 470 HG CYS 63 HG CYS 63 3.951 -14.097 4.648 471 HA PRO 64 HA PRO 64 4.116 -18.460 9.443 472 1HB PRO 64 HB2 PRO 64 3.350 -20.995 8.985 473 2HB PRO 64 HB1 PRO 64 2.373 -19.888 9.958 474 1HG PRO 64 HG2 PRO 64 2.045 -20.683 7.088 475 2HG PRO 64 HG1 PRO 64 0.810 -20.523 8.350 476 1HD PRO 64 HD1 PRO 64 1.296 -18.603 6.473 477 2HD PRO 64 HD2 PRO 64 0.668 -18.246 8.094 478 H GLN 65 HN GLN 65 3.895 -18.583 6.063 479 HA GLN 65 HA GLN 65 6.202 -20.359 5.775 480 1HB GLN 65 HB2 GLN 65 4.382 -19.103 3.711 481 2HB GLN 65 HB1 GLN 65 5.736 -20.161 3.335 482 1HG GLN 65 HG2 GLN 65 4.656 -22.033 4.040 483 2HG GLN 65 HG1 GLN 65 3.688 -21.164 5.229 484 1HE2 GLN 65 HE2 GLN 65 1.801 -22.174 4.530 485 2HE2 GLN 65 HE2 GLN 65 1.029 -21.746 3.045 486 H SER 66 HN SER 66 7.359 -19.357 3.491 487 HA SER 66 HA SER 66 8.447 -16.783 4.429 488 1HB SER 66 HB1 SER 66 9.880 -19.024 4.273 489 2HB SER 66 HB2 SER 66 10.022 -18.527 2.588 490 HG SER 66 HG SER 66 11.683 -17.530 3.578 491 H ILE 67 HN ILE 67 7.092 -18.537 1.763 492 HA ILE 67 HA ILE 67 7.868 -16.792 -0.327 493 HB ILE 67 HB ILE 67 5.400 -18.528 -0.217 494 1HG1 ILE 67 HG1 ILE 67 7.999 -19.299 -1.516 495 2HG1 ILE 67 HG1 ILE 67 7.749 -19.587 0.204 496 1HG2 ILE 67 HG2 ILE 67 6.107 -18.532 -2.786 497 2HG2 ILE 67 HG2 ILE 67 6.737 -16.948 -2.334 498 3HG2 ILE 67 HG2 ILE 67 5.028 -17.317 -2.099 499 1HD1 ILE 67 HD1 ILE 67 7.023 -21.245 -1.894 500 2HD1 ILE 67 HD1 ILE 67 5.508 -20.530 -1.341 501 3HD1 ILE 67 HD1 ILE 67 6.543 -21.395 -0.204 502 H ASN 68 HN ASN 68 7.222 -14.801 -0.756 503 HA ASN 68 HA ASN 68 4.938 -13.691 0.676 504 1HB ASN 68 HB2 ASN 68 6.633 -12.085 -1.197 505 2HB ASN 68 HB1 ASN 68 5.868 -11.599 0.313 506 1HD2 ASN 68 HD2 ASN 68 6.725 -13.258 2.153 507 2HD2 ASN 68 HD2 ASN 68 8.446 -13.248 2.286 508 H ASN 69 HN ASN 69 3.030 -13.240 -0.230 509 HA ASN 69 HA ASN 69 2.460 -14.163 -2.860 510 1HB ASN 69 HB1 ASN 69 0.925 -14.078 -0.763 511 2HB ASN 69 HB2 ASN 69 0.587 -12.428 -1.279 512 1HD2 ASN 69 HD2 ASN 69 0.986 -15.542 -2.939 513 2HD2 ASN 69 HD2 ASN 69 -0.492 -15.450 -3.827 514 H ILE 70 HN ILE 70 1.758 -10.929 -1.528 515 HA ILE 70 HA ILE 70 1.260 -9.663 -3.897 516 HB ILE 70 HB ILE 70 2.714 -8.102 -1.810 517 1HG1 ILE 70 HG1 ILE 70 1.326 -9.539 -0.452 518 2HG1 ILE 70 HG1 ILE 70 0.576 -7.944 -0.514 519 1HG2 ILE 70 HG2 ILE 70 0.634 -6.619 -2.354 520 2HG2 ILE 70 HG2 ILE 70 0.526 -7.641 -3.787 521 3HG2 ILE 70 HG2 ILE 70 1.987 -6.701 -3.481 522 1HD1 ILE 70 HD1 ILE 70 -1.165 -8.676 -1.842 523 2HD1 ILE 70 HD1 ILE 70 -0.895 -10.042 -0.760 524 3HD1 ILE 70 HD1 ILE 70 -0.277 -10.089 -2.411 525 HA PRO 71 HA PRO 71 5.948 -8.223 -4.191 526 1HB PRO 71 HB2 PRO 71 7.190 -10.583 -2.872 527 2HB PRO 71 HB1 PRO 71 7.682 -8.886 -2.843 528 1HG PRO 71 HG2 PRO 71 6.505 -9.970 -0.727 529 2HG PRO 71 HG1 PRO 71 6.095 -8.321 -1.237 530 1HD PRO 71 HD2 PRO 71 4.570 -10.866 -1.643 531 2HD PRO 71 HD1 PRO 71 3.971 -9.248 -1.224 532 H LEU 72 HN LEU 72 5.352 -11.736 -4.099 533 HA LEU 72 HA LEU 72 6.991 -12.425 -6.261 534 1HB LEU 72 HB1 LEU 72 5.998 -14.014 -4.621 535 2HB LEU 72 HB2 LEU 72 4.442 -13.790 -5.395 536 HG LEU 72 HG LEU 72 6.583 -14.601 -7.233 537 1HD1 LEU 72 HD2 LEU 72 5.746 -16.367 -4.947 538 2HD1 LEU 72 HD2 LEU 72 7.380 -15.918 -5.435 539 3HD1 LEU 72 HD2 LEU 72 6.420 -16.991 -6.453 540 1HD2 LEU 72 HD1 LEU 72 4.718 -15.024 -8.360 541 2HD2 LEU 72 HD1 LEU 72 3.728 -14.826 -6.914 542 3HD2 LEU 72 HD1 LEU 72 4.452 -16.393 -7.279 543 H ASP 73 HN ASP 73 3.915 -10.889 -6.178 544 HA ASP 73 HA ASP 73 3.053 -11.617 -8.794 545 1HB ASP 73 HB2 ASP 73 2.208 -9.568 -6.778 546 2HB ASP 73 HB1 ASP 73 1.602 -9.458 -8.428 547 H ALA 74 HN ALA 74 4.323 -8.540 -7.503 548 HA ALA 74 HA ALA 74 4.599 -7.267 -9.989 549 1HB ALA 74 HB1 ALA 74 5.778 -5.592 -8.873 550 2HB ALA 74 HB2 ALA 74 6.415 -6.713 -7.670 551 3HB ALA 74 HB3 ALA 74 4.711 -6.260 -7.638 552 H ARG 75 HN ARG 75 6.851 -9.240 -8.113 553 HA ARG 75 HA ARG 75 9.102 -8.905 -9.757 554 1HB ARG 75 HB1 ARG 75 9.325 -9.835 -7.539 555 2HB ARG 75 HB2 ARG 75 8.282 -11.190 -7.952 556 1HG ARG 75 HG1 ARG 75 10.103 -12.344 -8.457 557 2HG ARG 75 HG2 ARG 75 10.356 -11.255 -9.822 558 1HD ARG 75 HD1 ARG 75 11.860 -9.928 -8.647 559 2HD ARG 75 HD2 ARG 75 11.287 -10.499 -7.080 560 HE ARG 75 HE ARG 75 12.822 -12.212 -8.925 561 1HH1 ARG 75 HH1 ARG 75 12.188 -10.929 -5.747 562 2HH1 ARG 75 HH1 ARG 75 13.389 -11.908 -4.972 563 1HH2 ARG 75 HH2 ARG 75 14.405 -13.504 -7.912 564 2HH2 ARG 75 HH2 ARG 75 14.648 -13.371 -6.202 565 H ASN 76 HN ASN 76 6.341 -11.053 -9.985 566 HA ASN 76 HA ASN 76 7.333 -12.863 -11.877 567 1HB ASN 76 HB2 ASN 76 5.087 -12.849 -10.538 568 2HB ASN 76 HB1 ASN 76 4.471 -11.956 -11.927 569 1HD2 ASN 76 HD2 ASN 76 4.359 -14.845 -10.686 570 2HD2 ASN 76 HD2 ASN 76 4.409 -15.840 -12.097 571 H HIS 77 HN HIS 77 5.220 -10.048 -12.465 572 HA HIS 77 HA HIS 77 5.686 -10.091 -15.281 573 1HB HIS 77 HB2 HIS 77 4.267 -8.267 -13.382 574 2HB HIS 77 HB1 HIS 77 4.630 -7.690 -15.005 575 HD2 HIS 77 HD2 HIS 77 3.886 -10.360 -16.699 576 HE1 HIS 77 HE1 HIS 77 0.136 -9.988 -14.771 577 HE2 HIS 77 HE2 HIS 77 1.382 -11.039 -16.715 578 H GLY 78 HN GLY 78 6.387 -7.467 -12.961 579 1HA GLY 78 HA1 GLY 78 9.062 -7.172 -13.211 580 2HA GLY 78 HA2 GLY 78 8.463 -6.441 -14.689 581 H TYR 79 HN TYR 79 9.044 -6.034 -11.377 582 HA TYR 79 HA TYR 79 7.400 -3.644 -11.114 583 1HB TYR 79 HB1 TYR 79 8.243 -3.671 -8.774 584 2HB TYR 79 HB2 TYR 79 7.522 -5.214 -9.238 585 HD1 TYR 79 HD1 TYR 79 8.902 -7.197 -9.543 586 HD2 TYR 79 HD2 TYR 79 10.650 -3.485 -8.430 587 HE1 TYR 79 HE1 TYR 79 10.981 -8.363 -8.942 588 HE2 TYR 79 HE2 TYR 79 12.736 -4.641 -7.827 589 HH TYR 79 HH TYR 79 13.206 -8.052 -8.492 590 H THR 80 HN THR 80 9.011 -2.203 -9.363 591 HA THR 80 HA THR 80 11.231 -1.310 -11.083 592 HB THR 80 HB THR 80 10.169 0.545 -9.029 593 HG1 THR 80 HG1 THR 80 8.632 -0.441 -11.130 594 1HG2 THR 80 HG2 THR 80 10.259 1.670 -11.620 595 2HG2 THR 80 HG2 THR 80 11.730 0.727 -11.379 596 3HG2 THR 80 HG2 THR 80 11.300 1.999 -10.235 597 H VAL 81 HN VAL 81 10.102 -1.438 -7.717 598 HA VAL 81 HA VAL 81 12.709 -2.437 -6.886 599 HB VAL 81 HB VAL 81 11.416 -0.097 -5.480 600 1HG1 VAL 81 HG2 VAL 81 14.107 -1.340 -4.962 601 2HG1 VAL 81 HG2 VAL 81 12.647 -1.787 -4.078 602 3HG1 VAL 81 HG2 VAL 81 13.262 -0.136 -3.990 603 1HG2 VAL 81 HG1 VAL 81 12.374 0.782 -7.448 604 2HG2 VAL 81 HG1 VAL 81 13.794 -0.254 -7.312 605 3HG2 VAL 81 HG1 VAL 81 13.558 1.072 -6.173 606 H LEU 82 HN LEU 82 12.304 -4.238 -5.798 607 HA LEU 82 HA LEU 82 9.871 -4.407 -4.148 608 1HB LEU 82 HB2 LEU 82 10.847 -6.102 -6.288 609 2HB LEU 82 HB1 LEU 82 10.661 -7.015 -4.806 610 HG LEU 82 HG LEU 82 8.681 -6.994 -6.413 611 1HD1 LEU 82 HD1 LEU 82 7.076 -6.486 -4.413 612 2HD1 LEU 82 HD1 LEU 82 8.577 -6.370 -3.494 613 3HD1 LEU 82 HD1 LEU 82 8.176 -7.863 -4.342 614 1HD2 LEU 82 HD2 LEU 82 8.835 -4.542 -6.866 615 2HD2 LEU 82 HD2 LEU 82 8.230 -4.261 -5.235 616 3HD2 LEU 82 HD2 LEU 82 7.228 -5.109 -6.412 617 H ASP 83 HN ASP 83 10.363 -4.465 -2.065 618 HA ASP 83 HA ASP 83 12.582 -6.155 -1.166 619 1HB ASP 83 HB1 ASP 83 12.961 -4.261 0.610 620 2HB ASP 83 HB2 ASP 83 13.700 -4.132 -0.984 621 H ILE 84 HN ILE 84 12.399 -6.847 1.058 622 HA ILE 84 HA ILE 84 9.719 -6.480 2.211 623 HB ILE 84 HB ILE 84 9.469 -8.783 2.719 624 1HG1 ILE 84 HG1 ILE 84 12.149 -9.333 1.432 625 2HG1 ILE 84 HG1 ILE 84 11.922 -9.168 3.169 626 1HG2 ILE 84 HG2 ILE 84 9.180 -9.733 0.576 627 2HG2 ILE 84 HG2 ILE 84 10.467 -8.744 -0.115 628 3HG2 ILE 84 HG2 ILE 84 8.951 -7.994 0.388 629 1HD1 ILE 84 HD1 ILE 84 11.974 -11.488 2.604 630 2HD1 ILE 84 HD1 ILE 84 10.718 -11.265 1.386 631 3HD1 ILE 84 HD1 ILE 84 10.335 -11.061 3.095 632 H GLN 85 HN GLN 85 9.608 -7.294 4.486 633 HA GLN 85 HA GLN 85 12.079 -7.403 5.970 634 1HB GLN 85 HB1 GLN 85 11.392 -4.914 5.574 635 2HB GLN 85 HB2 GLN 85 10.169 -5.239 6.794 636 1HG GLN 85 HG1 GLN 85 11.968 -5.947 8.340 637 2HG GLN 85 HG2 GLN 85 13.150 -5.467 7.123 638 1HE2 GLN 85 HE2 GLN 85 13.971 -3.529 7.386 639 2HE2 GLN 85 HE2 GLN 85 13.207 -2.192 8.171 640 H GLN 86 HN GLN 86 11.627 -7.718 8.344 641 HA GLN 86 HA GLN 86 8.970 -8.891 8.803 642 1HB GLN 86 HB1 GLN 86 11.184 -10.435 8.390 643 2HB GLN 86 HB2 GLN 86 11.207 -10.264 10.140 644 1HG GLN 86 HG2 GLN 86 9.312 -11.477 10.426 645 2HG GLN 86 HG1 GLN 86 8.627 -10.981 8.880 646 1HE2 GLN 86 HE2 GLN 86 8.080 -13.248 8.681 647 2HE2 GLN 86 HE2 GLN 86 9.262 -14.356 8.081 648 H ASP 87 HN ASP 87 8.210 -8.808 10.938 649 HA ASP 87 HA ASP 87 9.708 -6.943 12.658 650 1HB ASP 87 HB2 ASP 87 6.764 -7.459 12.311 651 2HB ASP 87 HB1 ASP 87 7.381 -6.689 13.769 652 H GLY 88 HN GLY 88 7.072 -9.151 13.471 653 1HA GLY 88 HA1 GLY 88 8.910 -10.728 15.129 654 2HA GLY 88 HA2 GLY 88 7.514 -9.984 15.895 655 HA PRO 89 HA PRO 89 5.319 -13.629 14.628 656 1HB PRO 89 HB1 PRO 89 2.839 -12.935 15.334 657 2HB PRO 89 HB2 PRO 89 4.100 -13.169 16.551 658 1HG PRO 89 HG1 PRO 89 2.987 -10.634 15.433 659 2HG PRO 89 HG2 PRO 89 3.479 -11.007 17.094 660 1HD PRO 89 HD2 PRO 89 5.013 -9.626 15.222 661 2HD PRO 89 HD1 PRO 89 5.632 -10.395 16.695 662 H THR 90 HN THR 90 5.311 -10.804 12.943 663 HA THR 90 HA THR 90 3.587 -11.926 10.847 664 HB THR 90 HB THR 90 2.542 -9.811 10.409 665 HG1 THR 90 HG1 THR 90 4.406 -8.532 10.986 666 1HG2 THR 90 HG2 THR 90 2.513 -10.268 13.380 667 2HG2 THR 90 HG2 THR 90 1.445 -11.016 12.193 668 3HG2 THR 90 HG2 THR 90 1.366 -9.278 12.478 669 H ILE 91 HN ILE 91 3.859 -10.303 8.833 670 HA ILE 91 HA ILE 91 6.669 -9.547 8.535 671 HB ILE 91 HB ILE 91 6.510 -11.881 7.777 672 1HG1 ILE 91 HG1 ILE 91 6.814 -10.170 5.323 673 2HG1 ILE 91 HG1 ILE 91 7.950 -10.031 6.660 674 1HG2 ILE 91 HG2 ILE 91 5.184 -12.458 5.814 675 2HG2 ILE 91 HG2 ILE 91 4.541 -10.817 5.756 676 3HG2 ILE 91 HG2 ILE 91 4.157 -11.868 7.120 677 1HD1 ILE 91 HD1 ILE 91 8.492 -11.593 4.678 678 2HD1 ILE 91 HD1 ILE 91 7.371 -12.702 5.468 679 3HD1 ILE 91 HD1 ILE 91 8.807 -12.140 6.326 680 H ARG 92 HN ARG 92 7.059 -8.055 6.830 681 HA ARG 92 HA ARG 92 4.698 -7.012 5.450 682 1HB ARG 92 HB1 ARG 92 4.678 -5.461 7.145 683 2HB ARG 92 HB2 ARG 92 6.407 -5.590 7.432 684 1HG ARG 92 HG2 ARG 92 6.549 -4.455 5.066 685 2HG ARG 92 HG1 ARG 92 4.925 -3.904 5.487 686 1HD ARG 92 HD2 ARG 92 6.920 -3.614 7.620 687 2HD ARG 92 HD1 ARG 92 7.228 -2.635 6.185 688 HE ARG 92 HE ARG 92 4.905 -1.773 6.506 689 1HH1 ARG 92 HH1 ARG 92 6.712 -3.080 9.182 690 2HH1 ARG 92 HH1 ARG 92 5.856 -2.162 10.375 691 1HH2 ARG 92 HH2 ARG 92 3.774 -0.558 8.069 692 2HH2 ARG 92 HH2 ARG 92 4.186 -0.728 9.743 693 H TYR 93 HN TYR 93 5.066 -6.506 3.383 694 HA TYR 93 HA TYR 93 7.851 -6.157 2.490 695 1HB TYR 93 HB2 TYR 93 6.087 -7.069 0.381 696 2HB TYR 93 HB1 TYR 93 7.606 -7.758 0.938 697 HD1 TYR 93 HD1 TYR 93 4.030 -8.088 0.902 698 HD2 TYR 93 HD2 TYR 93 7.574 -9.384 2.863 699 HE1 TYR 93 HE1 TYR 93 2.811 -10.017 1.815 700 HE2 TYR 93 HE2 TYR 93 6.364 -11.316 3.783 701 HH TYR 93 HH TYR 93 3.094 -11.558 3.896 702 H LEU 94 HN LEU 94 8.256 -4.494 1.073 703 HA LEU 94 HA LEU 94 5.954 -2.892 0.180 704 1HB LEU 94 HB1 LEU 94 7.544 -0.882 0.682 705 2HB LEU 94 HB2 LEU 94 6.569 -1.583 1.959 706 HG LEU 94 HG LEU 94 9.280 -2.725 1.634 707 1HD1 LEU 94 HD1 LEU 94 10.483 -0.936 2.473 708 2HD1 LEU 94 HD1 LEU 94 9.039 -0.097 3.042 709 3HD1 LEU 94 HD1 LEU 94 9.401 -0.157 1.317 710 1HD2 LEU 94 HD2 LEU 94 7.365 -3.088 3.431 711 2HD2 LEU 94 HD2 LEU 94 8.160 -1.707 4.186 712 3HD2 LEU 94 HD2 LEU 94 9.075 -3.178 3.855 713 H ILE 95 HN ILE 95 6.380 -1.440 -1.580 714 HA ILE 95 HA ILE 95 8.813 -2.006 -3.119 715 HB ILE 95 HB ILE 95 7.794 -2.740 -4.992 716 1HG1 ILE 95 HG1 ILE 95 5.160 -2.106 -5.245 717 2HG1 ILE 95 HG1 ILE 95 5.723 -0.726 -4.305 718 1HG2 ILE 95 HG2 ILE 95 5.566 -3.948 -4.379 719 2HG2 ILE 95 HG2 ILE 95 5.952 -3.424 -2.740 720 3HG2 ILE 95 HG2 ILE 95 7.079 -4.452 -3.626 721 1HD1 ILE 95 HD1 ILE 95 7.566 -0.540 -6.083 722 2HD1 ILE 95 HD1 ILE 95 5.930 -0.010 -6.490 723 3HD1 ILE 95 HD1 ILE 95 6.523 -1.581 -7.054 724 H GLN 96 HN GLN 96 9.164 -0.404 -4.883 725 HA GLN 96 HA GLN 96 7.733 2.095 -4.681 726 1HB GLN 96 HB1 GLN 96 9.664 3.451 -4.072 727 2HB GLN 96 HB2 GLN 96 9.330 2.268 -2.814 728 1HG GLN 96 HG2 GLN 96 11.168 1.134 -4.665 729 2HG GLN 96 HG1 GLN 96 11.745 2.732 -4.194 730 1HE2 GLN 96 HE2 GLN 96 10.334 -0.181 -2.740 731 2HE2 GLN 96 HE2 GLN 96 11.339 -0.174 -1.335 732 H LYS 97 HN LYS 97 8.315 3.606 -6.358 733 HA LYS 97 HA LYS 97 9.932 2.423 -8.518 734 1HB LYS 97 HB1 LYS 97 7.757 2.263 -9.367 735 2HB LYS 97 HB2 LYS 97 7.256 3.776 -8.632 736 1HG LYS 97 HG1 LYS 97 7.675 4.857 -10.512 737 2HG LYS 97 HG2 LYS 97 9.358 4.325 -10.468 738 1HD LYS 97 HD1 LYS 97 8.459 2.115 -11.437 739 2HD LYS 97 HD2 LYS 97 7.013 3.047 -11.829 740 1HE LYS 97 HE1 LYS 97 8.807 2.845 -13.634 741 2HE LYS 97 HE2 LYS 97 8.174 4.454 -13.293 742 1HZ LYS 97 HZ1 LYS 97 10.111 5.096 -12.264 743 2HZ LYS 97 HZ2 LYS 97 10.709 4.097 -13.490 744 3HZ LYS 97 HZ3 LYS 97 10.592 3.514 -11.907 Start of MODEL 12 1 1H MET 1 HT1 MET 1 36.801 46.353 -19.523 2 2H MET 1 HT2 MET 1 36.967 44.894 -20.410 3 3H MET 1 HT3 MET 1 38.345 45.626 -19.696 4 HA MET 1 HA MET 1 37.098 43.625 -18.617 5 1HB MET 1 HB2 MET 1 38.034 44.464 -16.460 6 2HB MET 1 HB1 MET 1 39.154 44.591 -17.809 7 1HG MET 1 HG2 MET 1 37.869 47.020 -17.836 8 2HG MET 1 HG1 MET 1 38.022 46.661 -16.116 9 1HE MET 1 HE1 MET 1 40.321 48.775 -18.676 10 2HE MET 1 HE2 MET 1 39.343 47.460 -19.331 11 3HE MET 1 HE3 MET 1 41.100 47.321 -19.297 12 H GLY 2 HN GLY 2 35.024 45.590 -19.514 13 1HA GLY 2 HA2 GLY 2 33.536 45.903 -16.987 14 2HA GLY 2 HA1 GLY 2 33.255 46.849 -18.442 15 H SER 3 HN SER 3 31.114 45.744 -17.253 16 HA SER 3 HA SER 3 30.371 43.631 -19.153 17 1HB SER 3 HB1 SER 3 30.685 42.400 -17.149 18 2HB SER 3 HB2 SER 3 29.909 43.645 -16.170 19 HG SER 3 HG SER 3 28.159 42.534 -16.453 20 H SER 4 HN SER 4 28.562 45.149 -16.507 21 HA SER 4 HA SER 4 26.945 46.613 -18.462 22 1HB SER 4 HB1 SER 4 26.085 44.268 -17.015 23 2HB SER 4 HB2 SER 4 25.115 45.663 -16.543 24 HG SER 4 HG SER 4 24.568 45.979 -18.684 25 H HIS 5 HN HIS 5 25.680 48.333 -17.543 26 HA HIS 5 HA HIS 5 26.958 49.460 -15.170 27 1HB HIS 5 HB1 HIS 5 26.525 50.660 -17.485 28 2HB HIS 5 HB2 HIS 5 24.933 50.953 -16.789 29 HD2 HIS 5 HD2 HIS 5 25.528 53.688 -16.666 30 HE1 HIS 5 HE1 HIS 5 28.402 53.235 -13.591 31 HE2 HIS 5 HE2 HIS 5 27.002 54.894 -14.903 32 H HIS 6 HN HIS 6 23.847 48.374 -16.353 33 HA HIS 6 HA HIS 6 22.759 48.728 -13.641 34 1HB HIS 6 HB1 HIS 6 21.793 49.845 -16.107 35 2HB HIS 6 HB2 HIS 6 20.599 48.718 -15.471 36 HD2 HIS 6 HD2 HIS 6 18.831 50.600 -14.584 37 HE1 HIS 6 HE1 HIS 6 21.509 52.490 -11.906 38 HE2 HIS 6 HE2 HIS 6 19.099 52.348 -12.686 39 H HIS 7 HN HIS 7 20.909 47.256 -13.178 40 HA HIS 7 HA HIS 7 21.026 44.752 -14.704 41 1HB HIS 7 HB1 HIS 7 22.170 45.129 -12.140 42 2HB HIS 7 HB2 HIS 7 20.721 44.153 -11.913 43 HD2 HIS 7 HD2 HIS 7 24.019 43.986 -14.068 44 HE1 HIS 7 HE1 HIS 7 22.532 40.085 -13.367 45 HE2 HIS 7 HE2 HIS 7 24.422 41.441 -14.377 46 H HIS 8 HN HIS 8 19.165 43.477 -14.619 47 HA HIS 8 HA HIS 8 16.803 44.814 -13.470 48 1HB HIS 8 HB1 HIS 8 16.648 42.960 -15.830 49 2HB HIS 8 HB2 HIS 8 15.520 44.220 -15.337 50 HD2 HIS 8 HD2 HIS 8 16.302 46.856 -16.007 51 HE1 HIS 8 HE1 HIS 8 19.253 45.557 -18.751 52 HE2 HIS 8 HE2 HIS 8 17.912 47.544 -17.923 53 H HIS 9 HN HIS 9 14.955 42.795 -13.905 54 HA HIS 9 HA HIS 9 15.465 41.090 -11.689 55 1HB HIS 9 HB1 HIS 9 13.250 41.496 -13.625 56 2HB HIS 9 HB2 HIS 9 13.318 39.930 -12.823 57 HD2 HIS 9 HD2 HIS 9 12.714 43.685 -11.965 58 HE1 HIS 9 HE1 HIS 9 11.678 41.298 -8.625 59 HE2 HIS 9 HE2 HIS 9 11.652 43.641 -9.597 60 H HIS 10 HN HIS 10 15.249 38.690 -11.808 61 HA HIS 10 HA HIS 10 16.626 37.641 -14.194 62 1HB HIS 10 HB2 HIS 10 17.196 35.859 -12.144 63 2HB HIS 10 HB1 HIS 10 18.289 37.074 -12.797 64 HD2 HIS 10 HD2 HIS 10 16.079 36.435 -9.661 65 HE1 HIS 10 HE1 HIS 10 18.474 39.862 -9.000 66 HE2 HIS 10 HE2 HIS 10 16.859 38.216 -7.942 67 H SER 11 HN SER 11 16.454 35.057 -14.041 68 HA SER 11 HA SER 11 13.596 34.445 -13.668 69 1HB SER 11 HB2 SER 11 13.928 32.776 -15.546 70 2HB SER 11 HB1 SER 11 14.018 34.472 -16.023 71 HG SER 11 HG SER 11 16.092 34.263 -16.441 72 H SER 12 HN SER 12 13.920 33.622 -11.582 73 HA SER 12 HA SER 12 15.440 31.099 -11.479 74 1HB SER 12 HB1 SER 12 14.993 33.184 -9.338 75 2HB SER 12 HB2 SER 12 15.590 31.563 -8.983 76 HG SER 12 HG SER 12 16.885 33.707 -10.096 77 H GLY 13 HN GLY 13 13.221 30.436 -12.411 78 1HA GLY 13 HA2 GLY 13 11.084 30.248 -10.466 79 2HA GLY 13 HA1 GLY 13 11.064 29.618 -12.107 80 H LEU 14 HN LEU 14 10.382 28.454 -9.398 81 HA LEU 14 HA LEU 14 12.218 26.160 -9.417 82 1HB LEU 14 HB2 LEU 14 11.021 25.663 -7.190 83 2HB LEU 14 HB1 LEU 14 12.183 26.973 -7.244 84 HG LEU 14 HG LEU 14 9.417 27.799 -7.795 85 1HD1 LEU 14 HD2 LEU 14 8.460 26.672 -6.127 86 2HD1 LEU 14 HD2 LEU 14 9.382 27.713 -5.042 87 3HD1 LEU 14 HD2 LEU 14 10.013 26.129 -5.492 88 1HD2 LEU 14 HD1 LEU 14 11.869 28.841 -6.685 89 2HD2 LEU 14 HD1 LEU 14 10.491 29.201 -5.647 90 3HD2 LEU 14 HD1 LEU 14 10.475 29.699 -7.339 91 H VAL 15 HN VAL 15 11.507 24.122 -9.800 92 HA VAL 15 HA VAL 15 8.651 23.817 -10.471 93 HB VAL 15 HB VAL 15 9.633 21.817 -11.879 94 1HG1 VAL 15 HG1 VAL 15 8.987 23.047 -13.630 95 2HG1 VAL 15 HG1 VAL 15 10.198 24.289 -13.317 96 3HG1 VAL 15 HG1 VAL 15 8.660 24.319 -12.453 97 1HG2 VAL 15 HG2 VAL 15 11.966 23.709 -11.651 98 2HG2 VAL 15 HG2 VAL 15 11.800 22.500 -12.925 99 3HG2 VAL 15 HG2 VAL 15 11.926 21.995 -11.240 100 HA PRO 16 HA PRO 16 8.873 21.069 -6.876 101 1HB PRO 16 HB1 PRO 16 6.086 20.556 -7.769 102 2HB PRO 16 HB2 PRO 16 6.694 20.985 -6.168 103 1HG PRO 16 HG2 PRO 16 5.416 22.781 -7.663 104 2HG PRO 16 HG1 PRO 16 6.814 23.246 -6.675 105 1HD PRO 16 HD2 PRO 16 6.645 22.779 -9.624 106 2HD PRO 16 HD1 PRO 16 7.563 24.006 -8.727 107 H ARG 17 HN ARG 17 7.896 20.337 -10.144 108 HA ARG 17 HA ARG 17 7.603 17.540 -9.873 109 1HB ARG 17 HB1 ARG 17 7.834 19.475 -12.081 110 2HB ARG 17 HB2 ARG 17 8.412 17.859 -12.461 111 1HG ARG 17 HG2 ARG 17 6.026 17.353 -11.214 112 2HG ARG 17 HG1 ARG 17 5.694 18.843 -12.102 113 1HD ARG 17 HD2 ARG 17 7.189 17.029 -13.748 114 2HD ARG 17 HD1 ARG 17 5.763 16.217 -13.100 115 HE ARG 17 HE ARG 17 4.672 18.460 -13.979 116 1HH1 ARG 17 HH1 ARG 17 7.041 16.403 -15.495 117 2HH1 ARG 17 HH1 ARG 17 6.533 16.789 -17.105 118 1HH2 ARG 17 HH2 ARG 17 3.998 18.973 -16.095 119 2HH2 ARG 17 HH2 ARG 17 4.804 18.249 -17.446 120 H GLY 18 HN GLY 18 10.371 19.576 -10.750 121 1HA GLY 18 HA2 GLY 18 12.105 17.245 -10.939 122 2HA GLY 18 HA1 GLY 18 12.559 18.911 -11.264 123 H SER 19 HN SER 19 10.876 18.111 -8.338 124 HA SER 19 HA SER 19 13.383 18.477 -6.835 125 1HB SER 19 HB1 SER 19 11.386 20.254 -6.791 126 2HB SER 19 HB2 SER 19 10.775 19.149 -5.560 127 HG SER 19 HG SER 19 12.125 20.824 -4.712 128 H HIS 20 HN HIS 20 12.479 17.889 -4.311 129 HA HIS 20 HA HIS 20 12.515 15.054 -4.342 130 1HB HIS 20 HB1 HIS 20 12.989 17.073 -2.456 131 2HB HIS 20 HB2 HIS 20 11.636 16.149 -1.809 132 HD2 HIS 20 HD2 HIS 20 12.191 13.473 -1.175 133 HE1 HIS 20 HE1 HIS 20 16.382 13.934 -1.557 134 HE2 HIS 20 HE2 HIS 20 14.520 12.416 -0.742 135 H MET 21 HN MET 21 9.968 17.415 -4.184 136 HA MET 21 HA MET 21 7.963 15.583 -3.241 137 1HB MET 21 HB2 MET 21 7.899 18.386 -4.331 138 2HB MET 21 HB1 MET 21 6.415 17.491 -4.041 139 1HG MET 21 HG1 MET 21 6.729 17.453 -1.747 140 2HG MET 21 HG2 MET 21 8.457 17.779 -1.880 141 1HE MET 21 HE1 MET 21 8.426 19.798 -0.031 142 2HE MET 21 HE2 MET 21 8.596 21.309 -0.926 143 3HE MET 21 HE3 MET 21 9.469 19.869 -1.450 144 H LYS 22 HN LYS 22 6.582 14.356 -4.398 145 HA LYS 22 HA LYS 22 6.846 14.451 -7.330 146 1HB LYS 22 HB1 LYS 22 6.765 12.242 -5.395 147 2HB LYS 22 HB2 LYS 22 5.716 12.012 -6.787 148 1HG LYS 22 HG2 LYS 22 8.470 12.917 -7.345 149 2HG LYS 22 HG1 LYS 22 8.276 11.268 -6.748 150 1HD LYS 22 HD2 LYS 22 7.901 10.731 -8.889 151 2HD LYS 22 HD1 LYS 22 6.302 11.435 -8.635 152 1HE LYS 22 HE1 LYS 22 8.464 13.322 -9.327 153 2HE LYS 22 HE2 LYS 22 7.975 12.202 -10.596 154 1HZ LYS 22 HZ1 LYS 22 5.668 13.236 -9.396 155 2HZ LYS 22 HZ2 LYS 22 6.214 13.461 -10.980 156 3HZ LYS 22 HZ3 LYS 22 6.685 14.537 -9.763 157 H ASN 23 HN ASN 23 4.759 13.121 -8.238 158 HA ASN 23 HA ASN 23 2.490 14.769 -7.395 159 1HB ASN 23 HB2 ASN 23 3.057 13.235 -9.936 160 2HB ASN 23 HB1 ASN 23 1.497 13.978 -9.595 161 1HD2 ASN 23 HD2 ASN 23 2.999 14.666 -11.801 162 2HD2 ASN 23 HD2 ASN 23 3.555 16.293 -11.625 163 H ILE 24 HN ILE 24 2.749 11.496 -8.788 164 HA ILE 24 HA ILE 24 0.966 10.532 -6.652 165 HB ILE 24 HB ILE 24 0.795 9.584 -9.508 166 1HG1 ILE 24 HG1 ILE 24 -1.518 11.065 -8.645 167 2HG1 ILE 24 HG1 ILE 24 -0.080 12.070 -8.482 168 1HG2 ILE 24 HG2 ILE 24 -1.141 9.276 -7.220 169 2HG2 ILE 24 HG2 ILE 24 0.035 8.055 -7.706 170 3HG2 ILE 24 HG2 ILE 24 -1.250 8.535 -8.817 171 1HD1 ILE 24 HD1 ILE 24 0.397 11.953 -10.763 172 2HD1 ILE 24 HD1 ILE 24 -1.351 12.171 -10.679 173 3HD1 ILE 24 HD1 ILE 24 -0.676 10.575 -11.006 174 H VAL 25 HN VAL 25 2.324 9.312 -5.469 175 HA VAL 25 HA VAL 25 3.984 7.330 -6.882 176 HB VAL 25 HB VAL 25 4.659 7.732 -4.073 177 1HG1 VAL 25 HG2 VAL 25 6.653 7.074 -4.822 178 2HG1 VAL 25 HG2 VAL 25 6.684 8.321 -6.070 179 3HG1 VAL 25 HG2 VAL 25 5.861 6.790 -6.373 180 1HG2 VAL 25 HG1 VAL 25 5.147 10.036 -5.956 181 2HG2 VAL 25 HG1 VAL 25 5.651 9.912 -4.270 182 3HG2 VAL 25 HG1 VAL 25 3.938 10.034 -4.671 183 HA PRO 26 HA PRO 26 2.094 5.066 -2.900 184 1HB PRO 26 HB2 PRO 26 -0.383 6.724 -2.793 185 2HB PRO 26 HB1 PRO 26 0.502 5.937 -1.480 186 1HG PRO 26 HG2 PRO 26 0.698 8.562 -1.851 187 2HG PRO 26 HG1 PRO 26 2.120 7.602 -1.400 188 1HD PRO 26 HD1 PRO 26 1.371 8.754 -4.050 189 2HD PRO 26 HD2 PRO 26 2.974 8.566 -3.313 190 H ASP 27 HN ASP 27 1.576 3.282 -4.004 191 HA ASP 27 HA ASP 27 -0.471 3.407 -6.078 192 1HB ASP 27 HB1 ASP 27 1.668 2.308 -6.636 193 2HB ASP 27 HB2 ASP 27 1.388 1.131 -5.356 194 H TYR 28 HN TYR 28 0.307 0.695 -3.853 195 HA TYR 28 HA TYR 28 -2.485 0.887 -2.918 196 1HB TYR 28 HB1 TYR 28 -1.601 -1.050 -4.764 197 2HB TYR 28 HB2 TYR 28 -1.837 -1.887 -3.233 198 HD1 TYR 28 HD1 TYR 28 -3.516 0.288 -5.723 199 HD2 TYR 28 HD2 TYR 28 -4.005 -2.374 -2.439 200 HE1 TYR 28 HE1 TYR 28 -5.940 0.244 -6.127 201 HE2 TYR 28 HE2 TYR 28 -6.431 -2.425 -2.835 202 HH TYR 28 HH TYR 28 -8.101 -0.370 -4.293 203 H ARG 29 HN ARG 29 -2.950 -0.686 -1.120 204 HA ARG 29 HA ARG 29 -0.608 -1.156 0.580 205 1HB ARG 29 HB1 ARG 29 -2.911 0.620 1.125 206 2HB ARG 29 HB2 ARG 29 -2.438 -0.439 2.446 207 1HG ARG 29 HG1 ARG 29 -0.075 0.442 2.088 208 2HG ARG 29 HG2 ARG 29 -0.823 1.694 1.094 209 1HD ARG 29 HD2 ARG 29 -0.774 2.734 3.141 210 2HD ARG 29 HD1 ARG 29 -2.378 2.003 3.171 211 HE ARG 29 HE ARG 29 -0.103 0.611 4.400 212 1HH1 ARG 29 HH2 ARG 29 -3.214 2.156 4.662 213 2HH1 ARG 29 HH2 ARG 29 -3.498 1.598 6.277 214 1HH2 ARG 29 HH1 ARG 29 -0.468 -0.129 6.526 215 2HH2 ARG 29 HH1 ARG 29 -1.938 0.299 7.335 216 H LEU 30 HN LEU 30 -0.582 -3.245 1.110 217 HA LEU 30 HA LEU 30 -3.159 -4.641 1.422 218 1HB LEU 30 HB2 LEU 30 -1.139 -5.227 -0.359 219 2HB LEU 30 HB1 LEU 30 -0.809 -6.330 0.964 220 HG LEU 30 HG LEU 30 -2.264 -7.238 -0.917 221 1HD1 LEU 30 HD2 LEU 30 -2.176 -8.404 1.158 222 2HD1 LEU 30 HD2 LEU 30 -3.874 -8.293 0.693 223 3HD1 LEU 30 HD2 LEU 30 -3.231 -7.226 1.940 224 1HD2 LEU 30 HD1 LEU 30 -4.223 -6.309 -1.446 225 2HD2 LEU 30 HD1 LEU 30 -3.636 -4.883 -0.588 226 3HD2 LEU 30 HD1 LEU 30 -4.665 -6.051 0.242 227 H ASP 31 HN ASP 31 -3.128 -3.922 3.664 228 HA ASP 31 HA ASP 31 -1.141 -5.285 5.340 229 1HB ASP 31 HB2 ASP 31 -2.336 -3.764 7.134 230 2HB ASP 31 HB1 ASP 31 -1.128 -3.089 6.043 231 H MET 32 HN MET 32 -2.437 -7.291 4.732 232 HA MET 32 HA MET 32 -4.420 -7.734 6.834 233 1HB MET 32 HB1 MET 32 -4.838 -8.782 4.036 234 2HB MET 32 HB2 MET 32 -5.961 -8.849 5.387 235 1HG MET 32 HG1 MET 32 -6.523 -6.617 5.203 236 2HG MET 32 HG2 MET 32 -5.042 -6.210 4.336 237 1HE MET 32 HE1 MET 32 -5.935 -5.011 2.064 238 2HE MET 32 HE2 MET 32 -7.209 -4.820 3.269 239 3HE MET 32 HE3 MET 32 -7.617 -5.312 1.625 240 H VAL 33 HN VAL 33 -4.260 -10.210 4.546 241 HA VAL 33 HA VAL 33 -2.150 -11.650 5.994 242 HB VAL 33 HB VAL 33 -4.905 -12.755 5.395 243 1HG1 VAL 33 HG1 VAL 33 -2.626 -14.144 6.789 244 2HG1 VAL 33 HG1 VAL 33 -3.013 -14.368 5.082 245 3HG1 VAL 33 HG1 VAL 33 -4.183 -14.827 6.319 246 1HG2 VAL 33 HG2 VAL 33 -3.550 -12.263 8.043 247 2HG2 VAL 33 HG2 VAL 33 -5.167 -12.920 7.796 248 3HG2 VAL 33 HG2 VAL 33 -4.814 -11.253 7.342 249 H GLY 34 HN GLY 34 -0.726 -12.472 4.598 250 1HA GLY 34 HA2 GLY 34 -1.139 -12.375 1.787 251 2HA GLY 34 HA1 GLY 34 0.227 -13.123 2.603 252 H GLU 35 HN GLU 35 -2.924 -13.614 1.225 253 HA GLU 35 HA GLU 35 -3.061 -16.400 1.967 254 1HB GLU 35 HB1 GLU 35 -5.206 -16.363 1.172 255 2HB GLU 35 HB2 GLU 35 -4.991 -14.643 1.459 256 1HG GLU 35 HG2 GLU 35 -4.323 -14.427 -0.950 257 2HG GLU 35 HG1 GLU 35 -4.831 -16.103 -1.160 258 HA PRO 36 HA PRO 36 -1.044 -18.070 -1.591 259 1HB PRO 36 HB2 PRO 36 -2.338 -20.379 -2.029 260 2HB PRO 36 HB1 PRO 36 -1.387 -20.114 -0.563 261 1HG PRO 36 HG2 PRO 36 -4.351 -19.929 -0.961 262 2HG PRO 36 HG1 PRO 36 -3.448 -20.671 0.372 263 1HD PRO 36 HD2 PRO 36 -4.563 -18.175 0.499 264 2HD PRO 36 HD1 PRO 36 -3.140 -18.665 1.439 265 H CYS 37 HN CYS 37 -3.200 -16.146 -2.209 266 HA CYS 37 HA CYS 37 -3.832 -17.120 -4.909 267 1HB CYS 37 HB1 CYS 37 -5.727 -15.389 -3.326 268 2HB CYS 37 HB2 CYS 37 -6.044 -16.269 -4.818 269 HG CYS 37 HG CYS 37 -7.120 -17.711 -3.047 270 HA PRO 38 HA PRO 38 -2.077 -13.447 -6.568 271 1HB PRO 38 HB2 PRO 38 -4.609 -13.087 -8.094 272 2HB PRO 38 HB1 PRO 38 -2.942 -13.139 -8.676 273 1HG PRO 38 HG2 PRO 38 -4.565 -15.220 -9.021 274 2HG PRO 38 HG1 PRO 38 -2.855 -15.456 -8.616 275 1HD PRO 38 HD1 PRO 38 -5.272 -15.719 -6.883 276 2HD PRO 38 HD2 PRO 38 -3.771 -16.668 -6.881 277 H TYR 39 HN TYR 39 -5.256 -13.350 -5.153 278 HA TYR 39 HA TYR 39 -5.171 -10.433 -4.951 279 1HB TYR 39 HB2 TYR 39 -7.480 -11.254 -3.660 280 2HB TYR 39 HB1 TYR 39 -7.369 -10.685 -5.321 281 HD1 TYR 39 HD1 TYR 39 -8.080 -13.483 -3.176 282 HD2 TYR 39 HD2 TYR 39 -7.149 -12.373 -7.176 283 HE1 TYR 39 HE1 TYR 39 -8.934 -15.647 -3.970 284 HE2 TYR 39 HE2 TYR 39 -8.000 -14.535 -7.982 285 HH TYR 39 HH TYR 39 -9.395 -16.318 -7.337 286 HA PRO 40 HA PRO 40 -6.479 -9.072 -3.631 287 1HB PRO 40 HB1 PRO 40 -5.453 -7.136 -1.776 288 2HB PRO 40 HB2 PRO 40 -7.095 -7.764 -1.905 289 1HG PRO 40 HG2 PRO 40 -5.418 -8.254 0.216 290 2HG PRO 40 HG1 PRO 40 -6.767 -9.302 -0.254 291 1HD PRO 40 HD1 PRO 40 -3.844 -9.604 -0.829 292 2HD PRO 40 HD2 PRO 40 -5.040 -10.841 -0.384 293 H ALA 41 HN ALA 41 -3.219 -9.647 -3.307 294 HA ALA 41 HA ALA 41 -1.924 -7.346 -4.151 295 1HB ALA 41 HB1 ALA 41 -0.096 -8.664 -4.584 296 2HB ALA 41 HB2 ALA 41 -1.061 -9.976 -5.262 297 3HB ALA 41 HB3 ALA 41 -1.021 -9.724 -3.518 298 H VAL 42 HN VAL 42 -4.404 -8.790 -5.792 299 HA VAL 42 HA VAL 42 -3.649 -8.865 -8.466 300 HB VAL 42 HB VAL 42 -6.291 -7.909 -7.349 301 1HG1 VAL 42 HG1 VAL 42 -6.725 -7.387 -9.480 302 2HG1 VAL 42 HG1 VAL 42 -6.785 -9.127 -9.761 303 3HG1 VAL 42 HG1 VAL 42 -5.296 -8.234 -10.070 304 1HG2 VAL 42 HG2 VAL 42 -6.677 -10.442 -8.292 305 2HG2 VAL 42 HG2 VAL 42 -6.413 -10.017 -6.601 306 3HG2 VAL 42 HG2 VAL 42 -5.060 -10.550 -7.598 307 H ALA 43 HN ALA 43 -4.190 -6.179 -6.334 308 HA ALA 43 HA ALA 43 -4.357 -4.146 -8.331 309 1HB ALA 43 HB1 ALA 43 -5.198 -3.863 -6.020 310 2HB ALA 43 HB2 ALA 43 -4.089 -2.584 -6.514 311 3HB ALA 43 HB3 ALA 43 -3.532 -3.870 -5.445 312 H THR 44 HN THR 44 -1.764 -5.609 -6.444 313 HA THR 44 HA THR 44 0.325 -3.883 -7.144 314 HB THR 44 HB THR 44 0.056 -6.529 -5.954 315 HG1 THR 44 HG1 THR 44 1.464 -4.176 -5.604 316 1HG2 THR 44 HG2 THR 44 1.441 -7.496 -7.529 317 2HG2 THR 44 HG2 THR 44 2.567 -6.965 -6.280 318 3HG2 THR 44 HG2 THR 44 2.381 -6.022 -7.759 319 H LEU 45 HN LEU 45 -0.869 -6.841 -8.683 320 HA LEU 45 HA LEU 45 0.980 -6.835 -10.827 321 1HB LEU 45 HB1 LEU 45 -0.814 -8.623 -9.870 322 2HB LEU 45 HB2 LEU 45 -1.681 -8.037 -11.276 323 HG LEU 45 HG LEU 45 0.577 -8.540 -12.518 324 1HD1 LEU 45 HD2 LEU 45 1.416 -9.219 -10.048 325 2HD1 LEU 45 HD2 LEU 45 2.083 -9.894 -11.534 326 3HD1 LEU 45 HD2 LEU 45 0.855 -10.784 -10.634 327 1HD2 LEU 45 HD1 LEU 45 -0.220 -10.915 -12.834 328 2HD2 LEU 45 HD1 LEU 45 -1.411 -9.651 -13.144 329 3HD2 LEU 45 HD1 LEU 45 -1.465 -10.563 -11.635 330 H GLU 46 HN GLU 46 -2.263 -5.504 -10.411 331 HA GLU 46 HA GLU 46 -2.543 -4.670 -13.127 332 1HB GLU 46 HB1 GLU 46 -4.633 -4.001 -12.540 333 2HB GLU 46 HB2 GLU 46 -4.314 -5.013 -11.139 334 1HG GLU 46 HG2 GLU 46 -3.581 -3.002 -9.902 335 2HG GLU 46 HG1 GLU 46 -4.034 -2.021 -11.296 336 H ALA 47 HN ALA 47 -0.835 -3.479 -10.447 337 HA ALA 47 HA ALA 47 -0.869 -0.698 -11.107 338 1HB ALA 47 HB1 ALA 47 0.240 -0.437 -9.185 339 2HB ALA 47 HB2 ALA 47 1.465 -1.624 -9.627 340 3HB ALA 47 HB3 ALA 47 -0.064 -2.154 -8.927 341 H MET 48 HN MET 48 1.204 -3.437 -11.869 342 HA MET 48 HA MET 48 3.422 -2.196 -12.907 343 1HB MET 48 HB2 MET 48 2.212 -4.576 -14.288 344 2HB MET 48 HB1 MET 48 3.912 -4.186 -14.059 345 1HG MET 48 HG2 MET 48 3.489 -4.491 -11.574 346 2HG MET 48 HG1 MET 48 1.949 -5.214 -12.038 347 1HE MET 48 HE1 MET 48 5.531 -4.989 -12.755 348 2HE MET 48 HE2 MET 48 5.832 -6.362 -13.820 349 3HE MET 48 HE3 MET 48 6.103 -6.516 -12.084 350 HA PRO 49 HA PRO 49 1.303 -1.756 -17.252 351 1HB PRO 49 HB1 PRO 49 -1.571 -1.868 -16.635 352 2HB PRO 49 HB2 PRO 49 -0.669 -2.676 -17.919 353 1HG PRO 49 HG2 PRO 49 -1.669 -4.031 -15.826 354 2HG PRO 49 HG1 PRO 49 -0.134 -4.484 -16.589 355 1HD PRO 49 HD1 PRO 49 -0.613 -2.966 -14.052 356 2HD PRO 49 HD2 PRO 49 0.586 -4.228 -14.399 357 H GLN 50 HN GLN 50 -0.773 -0.700 -14.564 358 HA GLN 50 HA GLN 50 -1.247 1.895 -15.660 359 1HB GLN 50 HB1 GLN 50 -2.583 0.466 -13.870 360 2HB GLN 50 HB2 GLN 50 -1.566 1.352 -12.744 361 1HG GLN 50 HG2 GLN 50 -2.435 3.377 -14.287 362 2HG GLN 50 HG1 GLN 50 -3.808 2.278 -14.405 363 1HE2 GLN 50 HE2 GLN 50 -5.315 3.012 -13.086 364 2HE2 GLN 50 HE2 GLN 50 -5.080 3.481 -11.439 365 H LEU 51 HN LEU 51 1.589 0.799 -14.857 366 HA LEU 51 HA LEU 51 2.748 2.199 -12.842 367 1HB LEU 51 HB2 LEU 51 4.776 1.744 -13.825 368 2HB LEU 51 HB1 LEU 51 3.743 0.563 -14.594 369 HG LEU 51 HG LEU 51 3.737 2.928 -16.192 370 1HD1 LEU 51 HD1 LEU 51 6.170 2.853 -16.831 371 2HD1 LEU 51 HD1 LEU 51 6.453 1.964 -15.335 372 3HD1 LEU 51 HD1 LEU 51 5.813 3.605 -15.277 373 1HD2 LEU 51 HD2 LEU 51 4.809 0.141 -16.564 374 2HD2 LEU 51 HD2 LEU 51 4.745 1.349 -17.848 375 3HD2 LEU 51 HD2 LEU 51 3.254 0.780 -17.097 376 H LYS 52 HN LYS 52 4.086 4.113 -12.801 377 HA LYS 52 HA LYS 52 3.420 6.190 -14.746 378 1HB LYS 52 HB2 LYS 52 2.897 6.334 -11.779 379 2HB LYS 52 HB1 LYS 52 3.077 7.779 -12.765 380 1HG LYS 52 HG1 LYS 52 1.149 5.769 -13.738 381 2HG LYS 52 HG2 LYS 52 0.720 6.624 -12.255 382 1HD LYS 52 HD2 LYS 52 1.426 8.740 -13.626 383 2HD LYS 52 HD1 LYS 52 1.125 7.692 -15.013 384 1HE LYS 52 HE2 LYS 52 -1.121 7.185 -13.817 385 2HE LYS 52 HE1 LYS 52 -0.786 8.671 -12.931 386 1HZ LYS 52 HZ1 LYS 52 -1.118 8.362 -15.860 387 2HZ LYS 52 HZ2 LYS 52 -0.540 9.777 -15.136 388 3HZ LYS 52 HZ3 LYS 52 -2.106 9.233 -14.798 389 H LYS 53 HN LYS 53 4.573 8.312 -13.263 390 HA LYS 53 HA LYS 53 7.378 7.665 -13.625 391 1HB LYS 53 HB1 LYS 53 6.027 10.285 -12.949 392 2HB LYS 53 HB2 LYS 53 7.734 10.089 -13.316 393 1HG LYS 53 HG2 LYS 53 7.126 10.627 -15.396 394 2HG LYS 53 HG1 LYS 53 6.594 8.947 -15.496 395 1HD LYS 53 HD1 LYS 53 4.343 9.566 -14.930 396 2HD LYS 53 HD2 LYS 53 4.835 11.232 -14.617 397 1HE LYS 53 HE2 LYS 53 5.189 11.679 -16.880 398 2HE LYS 53 HE1 LYS 53 5.271 9.968 -17.299 399 1HZ LYS 53 HZ1 LYS 53 3.125 10.024 -17.768 400 2HZ LYS 53 HZ2 LYS 53 3.038 11.659 -17.340 401 3HZ LYS 53 HZ3 LYS 53 2.762 10.464 -16.175 402 H GLY 54 HN GLY 54 6.011 6.446 -11.401 403 1HA GLY 54 HA2 GLY 54 7.759 6.336 -9.411 404 2HA GLY 54 HA1 GLY 54 6.976 7.866 -9.044 405 H GLU 55 HN GLU 55 6.942 4.617 -8.436 406 HA GLU 55 HA GLU 55 4.132 4.707 -7.556 407 1HB GLU 55 HB1 GLU 55 5.193 2.943 -9.382 408 2HB GLU 55 HB2 GLU 55 5.286 2.036 -7.879 409 1HG GLU 55 HG2 GLU 55 3.179 1.461 -8.228 410 2HG GLU 55 HG1 GLU 55 2.754 3.124 -7.824 411 H ILE 56 HN ILE 56 3.696 3.155 -5.720 412 HA ILE 56 HA ILE 56 5.879 2.486 -3.973 413 HB ILE 56 HB ILE 56 4.095 4.830 -3.352 414 1HG1 ILE 56 HG1 ILE 56 6.382 5.193 -4.295 415 2HG1 ILE 56 HG1 ILE 56 6.138 5.931 -2.718 416 1HG2 ILE 56 HG2 ILE 56 5.492 3.069 -1.349 417 2HG2 ILE 56 HG2 ILE 56 3.759 3.374 -1.481 418 3HG2 ILE 56 HG2 ILE 56 4.846 4.671 -0.987 419 1HD1 ILE 56 HD1 ILE 56 8.267 4.402 -3.425 420 2HD1 ILE 56 HD1 ILE 56 7.239 3.233 -2.598 421 3HD1 ILE 56 HD1 ILE 56 7.739 4.708 -1.771 422 H LEU 57 HN LEU 57 5.168 1.099 -2.252 423 HA LEU 57 HA LEU 57 2.362 0.616 -1.920 424 1HB LEU 57 HB1 LEU 57 2.624 -0.518 -3.983 425 2HB LEU 57 HB2 LEU 57 4.047 -1.346 -3.429 426 HG LEU 57 HG LEU 57 2.053 -2.074 -1.634 427 1HD1 LEU 57 HD2 LEU 57 0.117 -2.376 -2.742 428 2HD1 LEU 57 HD2 LEU 57 0.919 -2.653 -4.289 429 3HD1 LEU 57 HD2 LEU 57 0.728 -1.004 -3.678 430 1HD2 LEU 57 HD1 LEU 57 3.764 -3.585 -2.339 431 2HD2 LEU 57 HD1 LEU 57 3.239 -3.480 -4.019 432 3HD2 LEU 57 HD1 LEU 57 2.214 -4.273 -2.823 433 H GLU 58 HN GLU 58 1.958 -0.158 0.034 434 HA GLU 58 HA GLU 58 4.152 -1.465 1.497 435 1HB GLU 58 HB1 GLU 58 2.152 -0.087 3.147 436 2HB GLU 58 HB2 GLU 58 3.904 -0.097 3.282 437 1HG GLU 58 HG1 GLU 58 4.160 1.728 1.912 438 2HG GLU 58 HG2 GLU 58 2.624 1.458 1.087 439 H VAL 59 HN VAL 59 3.715 -3.337 2.447 440 HA VAL 59 HA VAL 59 0.909 -4.150 2.710 441 HB VAL 59 HB VAL 59 1.318 -5.298 0.793 442 1HG1 VAL 59 HG2 VAL 59 3.697 -4.458 0.698 443 2HG1 VAL 59 HG2 VAL 59 3.389 -6.027 -0.045 444 3HG1 VAL 59 HG2 VAL 59 4.152 -5.938 1.543 445 1HG2 VAL 59 HG1 VAL 59 2.412 -7.123 2.931 446 2HG2 VAL 59 HG1 VAL 59 1.933 -7.653 1.319 447 3HG2 VAL 59 HG1 VAL 59 0.732 -6.972 2.416 448 H VAL 60 HN VAL 60 0.445 -4.982 4.607 449 HA VAL 60 HA VAL 60 2.586 -6.206 6.216 450 HB VAL 60 HB VAL 60 0.306 -4.794 7.547 451 1HG1 VAL 60 HG2 VAL 60 2.981 -5.848 8.282 452 2HG1 VAL 60 HG2 VAL 60 1.451 -5.923 9.159 453 3HG1 VAL 60 HG2 VAL 60 2.390 -4.430 9.149 454 1HG2 VAL 60 HG1 VAL 60 2.892 -3.421 6.842 455 2HG2 VAL 60 HG1 VAL 60 1.477 -2.723 7.629 456 3HG2 VAL 60 HG1 VAL 60 1.394 -3.206 5.935 457 H SER 61 HN SER 61 2.072 -8.329 5.951 458 HA SER 61 HA SER 61 -0.575 -9.157 6.883 459 1HB SER 61 HB1 SER 61 0.648 -10.214 4.326 460 2HB SER 61 HB2 SER 61 -0.943 -10.598 4.982 461 HG SER 61 HG SER 61 -0.212 -8.546 3.410 462 H ASP 62 HN ASP 62 -0.714 -11.578 7.078 463 HA ASP 62 HA ASP 62 1.874 -12.658 8.007 464 1HB ASP 62 HB2 ASP 62 -0.094 -14.116 9.319 465 2HB ASP 62 HB1 ASP 62 0.884 -12.827 10.018 466 H CYS 63 HN CYS 63 2.536 -14.520 7.104 467 HA CYS 63 HA CYS 63 0.654 -16.422 6.019 468 1HB CYS 63 HB1 CYS 63 1.524 -16.359 3.733 469 2HB CYS 63 HB2 CYS 63 0.848 -14.795 4.179 470 HG CYS 63 HG CYS 63 3.726 -15.326 3.406 471 HA PRO 64 HA PRO 64 4.052 -19.002 7.261 472 1HB PRO 64 HB2 PRO 64 3.072 -21.381 6.477 473 2HB PRO 64 HB1 PRO 64 2.404 -20.503 7.858 474 1HG PRO 64 HG2 PRO 64 1.377 -20.694 5.053 475 2HG PRO 64 HG1 PRO 64 0.480 -20.756 6.581 476 1HD PRO 64 HD2 PRO 64 0.666 -18.517 5.014 477 2HD PRO 64 HD1 PRO 64 0.403 -18.475 6.768 478 H GLN 65 HN GLN 65 2.820 -18.929 3.988 479 HA GLN 65 HA GLN 65 4.969 -20.464 2.860 480 1HB GLN 65 HB1 GLN 65 2.535 -19.138 1.900 481 2HB GLN 65 HB2 GLN 65 3.877 -19.053 0.767 482 1HG GLN 65 HG1 GLN 65 3.151 -21.663 2.016 483 2HG GLN 65 HG2 GLN 65 2.207 -21.035 0.665 484 1HE2 GLN 65 HE2 GLN 65 3.853 -23.411 0.774 485 2HE2 GLN 65 HE2 GLN 65 5.055 -23.233 -0.453 486 H SER 66 HN SER 66 5.612 -18.934 0.595 487 HA SER 66 HA SER 66 6.873 -16.514 1.655 488 1HB SER 66 HB1 SER 66 8.386 -18.672 1.668 489 2HB SER 66 HB2 SER 66 8.528 -18.331 -0.057 490 HG SER 66 HG SER 66 9.133 -16.526 2.050 491 H ILE 67 HN ILE 67 4.824 -17.602 -0.490 492 HA ILE 67 HA ILE 67 5.872 -16.003 -2.732 493 HB ILE 67 HB ILE 67 3.805 -18.200 -2.750 494 1HG1 ILE 67 HG1 ILE 67 6.128 -18.989 -2.584 495 2HG1 ILE 67 HG1 ILE 67 5.433 -19.388 -4.150 496 1HG2 ILE 67 HG2 ILE 67 4.584 -17.471 -5.368 497 2HG2 ILE 67 HG2 ILE 67 4.130 -15.992 -4.517 498 3HG2 ILE 67 HG2 ILE 67 2.992 -17.338 -4.621 499 1HD1 ILE 67 HD1 ILE 67 7.754 -18.613 -4.304 500 2HD1 ILE 67 HD1 ILE 67 7.265 -17.062 -3.621 501 3HD1 ILE 67 HD1 ILE 67 6.637 -17.573 -5.187 502 H ASN 68 HN ASN 68 3.276 -16.402 -0.478 503 HA ASN 68 HA ASN 68 1.217 -14.967 -1.604 504 1HB ASN 68 HB1 ASN 68 1.994 -14.780 1.308 505 2HB ASN 68 HB2 ASN 68 0.380 -14.637 0.613 506 1HD2 ASN 68 HD2 ASN 68 0.482 -16.779 -1.172 507 2HD2 ASN 68 HD2 ASN 68 0.523 -18.249 -0.265 508 H ASN 69 HN ASN 69 4.289 -13.817 -0.825 509 HA ASN 69 HA ASN 69 3.946 -11.222 0.023 510 1HB ASN 69 HB1 ASN 69 5.964 -12.256 -1.974 511 2HB ASN 69 HB2 ASN 69 6.087 -10.728 -1.105 512 1HD2 ASN 69 HD2 ASN 69 7.876 -11.122 0.064 513 2HD2 ASN 69 HD2 ASN 69 8.009 -12.367 1.255 514 H ILE 70 HN ILE 70 2.840 -9.577 -0.747 515 HA ILE 70 HA ILE 70 1.515 -9.471 -3.186 516 HB ILE 70 HB ILE 70 2.536 -7.035 -1.732 517 1HG1 ILE 70 HG1 ILE 70 1.500 -8.450 -0.069 518 2HG1 ILE 70 HG1 ILE 70 0.399 -7.129 -0.447 519 1HG2 ILE 70 HG2 ILE 70 -0.122 -7.240 -3.052 520 2HG2 ILE 70 HG2 ILE 70 1.316 -7.025 -4.050 521 3HG2 ILE 70 HG2 ILE 70 0.916 -5.834 -2.812 522 1HD1 ILE 70 HD1 ILE 70 -0.591 -9.450 -0.196 523 2HD1 ILE 70 HD1 ILE 70 0.152 -9.814 -1.753 524 3HD1 ILE 70 HD1 ILE 70 -1.050 -8.529 -1.628 525 HA PRO 71 HA PRO 71 5.331 -6.896 -4.869 526 1HB PRO 71 HB2 PRO 71 7.482 -7.988 -3.153 527 2HB PRO 71 HB1 PRO 71 7.221 -6.333 -3.715 528 1HG PRO 71 HG2 PRO 71 6.755 -6.999 -1.180 529 2HG PRO 71 HG1 PRO 71 5.692 -5.866 -2.036 530 1HD PRO 71 HD1 PRO 71 5.273 -8.773 -1.432 531 2HD PRO 71 HD2 PRO 71 4.121 -7.424 -1.327 532 H LEU 72 HN LEU 72 5.393 -10.200 -3.695 533 HA LEU 72 HA LEU 72 7.343 -11.212 -5.471 534 1HB LEU 72 HB1 LEU 72 6.150 -12.332 -3.436 535 2HB LEU 72 HB2 LEU 72 4.971 -12.835 -4.636 536 HG LEU 72 HG LEU 72 7.732 -13.389 -5.434 537 1HD1 LEU 72 HD1 LEU 72 8.247 -13.809 -3.197 538 2HD1 LEU 72 HD1 LEU 72 7.815 -15.391 -3.847 539 3HD1 LEU 72 HD1 LEU 72 6.657 -14.495 -2.864 540 1HD2 LEU 72 HD2 LEU 72 5.077 -14.703 -5.442 541 2HD2 LEU 72 HD2 LEU 72 6.504 -15.736 -5.520 542 3HD2 LEU 72 HD2 LEU 72 6.246 -14.494 -6.746 543 H ASP 73 HN ASP 73 3.876 -10.674 -5.772 544 HA ASP 73 HA ASP 73 3.491 -11.934 -8.262 545 1HB ASP 73 HB2 ASP 73 2.072 -9.590 -6.976 546 2HB ASP 73 HB1 ASP 73 1.535 -10.351 -8.471 547 H ALA 74 HN ALA 74 4.354 -8.620 -7.370 548 HA ALA 74 HA ALA 74 4.620 -7.686 -10.055 549 1HB ALA 74 HB1 ALA 74 5.313 -6.632 -7.362 550 2HB ALA 74 HB2 ALA 74 4.309 -5.926 -8.630 551 3HB ALA 74 HB3 ALA 74 6.067 -5.894 -8.775 552 H ARG 75 HN ARG 75 6.630 -9.479 -7.911 553 HA ARG 75 HA ARG 75 9.141 -8.857 -9.135 554 1HB ARG 75 HB1 ARG 75 9.152 -9.640 -6.865 555 2HB ARG 75 HB2 ARG 75 8.257 -11.088 -7.300 556 1HG ARG 75 HG2 ARG 75 10.299 -12.026 -7.228 557 2HG ARG 75 HG1 ARG 75 10.405 -11.401 -8.876 558 1HD ARG 75 HD1 ARG 75 12.250 -10.341 -8.218 559 2HD ARG 75 HD2 ARG 75 11.185 -9.259 -7.321 560 HE ARG 75 HE ARG 75 11.506 -11.095 -5.497 561 1HH1 ARG 75 HH2 ARG 75 13.903 -9.878 -7.714 562 2HH1 ARG 75 HH2 ARG 75 15.230 -10.167 -6.639 563 1HH2 ARG 75 HH1 ARG 75 13.246 -11.478 -4.076 564 2HH2 ARG 75 HH1 ARG 75 14.856 -11.077 -4.571 565 H ASN 76 HN ASN 76 6.706 -11.371 -9.502 566 HA ASN 76 HA ASN 76 8.092 -13.139 -11.147 567 1HB ASN 76 HB2 ASN 76 5.720 -13.311 -10.071 568 2HB ASN 76 HB1 ASN 76 5.173 -12.574 -11.574 569 1HD2 ASN 76 HD2 ASN 76 7.807 -14.869 -11.092 570 2HD2 ASN 76 HD2 ASN 76 7.125 -16.127 -12.059 571 H HIS 77 HN HIS 77 5.820 -10.574 -12.160 572 HA HIS 77 HA HIS 77 6.546 -10.771 -14.908 573 1HB HIS 77 HB2 HIS 77 5.051 -8.667 -13.341 574 2HB HIS 77 HB1 HIS 77 5.321 -8.552 -15.077 575 HD2 HIS 77 HD2 HIS 77 3.852 -10.319 -16.653 576 HE1 HIS 77 HE1 HIS 77 1.440 -11.696 -13.457 577 HE2 HIS 77 HE2 HIS 77 1.747 -11.677 -15.975 578 H GLY 78 HN GLY 78 7.399 -8.537 -12.290 579 1HA GLY 78 HA1 GLY 78 9.724 -7.829 -12.144 580 2HA GLY 78 HA2 GLY 78 9.735 -7.718 -13.897 581 H TYR 79 HN TYR 79 8.678 -6.202 -10.922 582 HA TYR 79 HA TYR 79 7.686 -3.858 -12.334 583 1HB TYR 79 HB2 TYR 79 6.925 -4.988 -9.979 584 2HB TYR 79 HB1 TYR 79 8.012 -3.732 -9.394 585 HD1 TYR 79 HD1 TYR 79 7.447 -1.645 -11.510 586 HD2 TYR 79 HD2 TYR 79 4.857 -4.138 -9.234 587 HE1 TYR 79 HE1 TYR 79 5.655 0.025 -11.729 588 HE2 TYR 79 HE2 TYR 79 3.060 -2.476 -9.448 589 HH TYR 79 HH TYR 79 3.620 0.690 -10.689 590 H THR 80 HN THR 80 8.735 -2.270 -9.888 591 HA THR 80 HA THR 80 11.292 -1.596 -11.138 592 HB THR 80 HB THR 80 10.129 0.031 -8.926 593 HG1 THR 80 HG1 THR 80 8.843 -0.543 -11.277 594 1HG2 THR 80 HG2 THR 80 11.004 1.876 -10.072 595 2HG2 THR 80 HG2 THR 80 11.219 0.953 -11.560 596 3HG2 THR 80 HG2 THR 80 12.245 0.627 -10.164 597 H VAL 81 HN VAL 81 10.170 -1.417 -7.762 598 HA VAL 81 HA VAL 81 12.597 -2.885 -6.967 599 HB VAL 81 HB VAL 81 11.415 -0.568 -5.435 600 1HG1 VAL 81 HG1 VAL 81 13.642 -2.476 -4.970 601 2HG1 VAL 81 HG1 VAL 81 12.520 -1.742 -3.823 602 3HG1 VAL 81 HG1 VAL 81 13.869 -0.803 -4.461 603 1HG2 VAL 81 HG2 VAL 81 12.593 -0.134 -7.731 604 2HG2 VAL 81 HG2 VAL 81 14.063 -0.439 -6.805 605 3HG2 VAL 81 HG2 VAL 81 12.976 0.866 -6.330 606 H LEU 82 HN LEU 82 12.173 -4.641 -5.830 607 HA LEU 82 HA LEU 82 9.685 -4.778 -4.266 608 1HB LEU 82 HB2 LEU 82 11.044 -7.018 -5.775 609 2HB LEU 82 HB1 LEU 82 9.638 -7.204 -4.749 610 HG LEU 82 HG LEU 82 8.822 -7.220 -6.956 611 1HD1 LEU 82 HD1 LEU 82 7.621 -5.726 -5.338 612 2HD1 LEU 82 HD1 LEU 82 7.341 -5.374 -7.043 613 3HD1 LEU 82 HD1 LEU 82 8.438 -4.363 -6.104 614 1HD2 LEU 82 HD2 LEU 82 9.762 -6.203 -8.700 615 2HD2 LEU 82 HD2 LEU 82 11.082 -5.808 -7.600 616 3HD2 LEU 82 HD2 LEU 82 9.792 -4.639 -7.886 617 H ASP 83 HN ASP 83 10.420 -4.455 -2.230 618 HA ASP 83 HA ASP 83 12.524 -6.278 -1.261 619 1HB ASP 83 HB1 ASP 83 12.646 -3.486 -1.320 620 2HB ASP 83 HB2 ASP 83 12.247 -3.876 0.351 621 H ILE 84 HN ILE 84 12.339 -6.856 1.035 622 HA ILE 84 HA ILE 84 9.655 -6.493 2.153 623 HB ILE 84 HB ILE 84 9.309 -8.782 2.629 624 1HG1 ILE 84 HG1 ILE 84 11.700 -9.323 3.133 625 2HG1 ILE 84 HG1 ILE 84 10.881 -10.553 2.178 626 1HG2 ILE 84 HG2 ILE 84 9.277 -9.812 0.382 627 2HG2 ILE 84 HG2 ILE 84 10.249 -8.464 -0.211 628 3HG2 ILE 84 HG2 ILE 84 8.627 -8.173 0.419 629 1HD1 ILE 84 HD1 ILE 84 11.929 -9.543 0.145 630 2HD1 ILE 84 HD1 ILE 84 13.053 -10.285 1.284 631 3HD1 ILE 84 HD1 ILE 84 12.885 -8.530 1.227 632 H GLN 85 HN GLN 85 9.553 -7.509 4.404 633 HA GLN 85 HA GLN 85 12.032 -7.571 5.879 634 1HB GLN 85 HB2 GLN 85 10.158 -5.256 5.988 635 2HB GLN 85 HB1 GLN 85 10.863 -5.804 7.502 636 1HG GLN 85 HG1 GLN 85 13.095 -5.489 6.601 637 2HG GLN 85 HG2 GLN 85 12.413 -4.995 5.052 638 1HE2 GLN 85 HE2 GLN 85 11.510 -2.970 4.837 639 2HE2 GLN 85 HE2 GLN 85 11.710 -1.728 6.021 640 H GLN 86 HN GLN 86 11.721 -8.304 8.090 641 HA GLN 86 HA GLN 86 9.046 -9.379 8.650 642 1HB GLN 86 HB1 GLN 86 10.543 -11.394 9.616 643 2HB GLN 86 HB2 GLN 86 9.869 -11.389 7.993 644 1HG GLN 86 HG1 GLN 86 11.880 -11.144 7.008 645 2HG GLN 86 HG2 GLN 86 12.513 -10.125 8.300 646 1HE2 GLN 86 HE2 GLN 86 13.841 -11.001 9.745 647 2HE2 GLN 86 HE2 GLN 86 14.181 -12.688 9.897 648 H ASP 87 HN ASP 87 8.603 -9.804 10.866 649 HA ASP 87 HA ASP 87 10.492 -8.520 12.733 650 1HB ASP 87 HB1 ASP 87 8.208 -7.341 12.126 651 2HB ASP 87 HB2 ASP 87 7.546 -8.507 13.269 652 H GLY 88 HN GLY 88 7.432 -10.227 13.242 653 1HA GLY 88 HA1 GLY 88 8.892 -12.442 14.504 654 2HA GLY 88 HA2 GLY 88 7.668 -11.592 15.438 655 HA PRO 89 HA PRO 89 4.902 -14.616 13.679 656 1HB PRO 89 HB1 PRO 89 2.691 -13.143 14.843 657 2HB PRO 89 HB2 PRO 89 3.358 -14.703 15.330 658 1HG PRO 89 HG1 PRO 89 3.575 -12.444 16.840 659 2HG PRO 89 HG2 PRO 89 4.753 -13.767 16.885 660 1HD PRO 89 HD1 PRO 89 4.907 -11.140 15.457 661 2HD PRO 89 HD2 PRO 89 6.173 -12.020 16.340 662 H THR 90 HN THR 90 5.411 -11.628 12.584 663 HA THR 90 HA THR 90 3.338 -11.870 10.528 664 HB THR 90 HB THR 90 2.913 -9.448 10.594 665 HG1 THR 90 HG1 THR 90 4.824 -9.560 12.644 666 1HG2 THR 90 HG2 THR 90 2.324 -11.128 12.945 667 2HG2 THR 90 HG2 THR 90 1.236 -10.297 11.834 668 3HG2 THR 90 HG2 THR 90 2.056 -9.391 13.105 669 H ILE 91 HN ILE 91 3.824 -10.290 8.683 670 HA ILE 91 HA ILE 91 6.645 -9.669 8.350 671 HB ILE 91 HB ILE 91 6.459 -12.025 7.641 672 1HG1 ILE 91 HG1 ILE 91 6.869 -10.251 5.231 673 2HG1 ILE 91 HG1 ILE 91 8.018 -10.321 6.563 674 1HG2 ILE 91 HG2 ILE 91 5.060 -12.770 5.939 675 2HG2 ILE 91 HG2 ILE 91 4.762 -11.140 5.336 676 3HG2 ILE 91 HG2 ILE 91 4.030 -11.666 6.852 677 1HD1 ILE 91 HD1 ILE 91 8.805 -12.341 5.954 678 2HD1 ILE 91 HD1 ILE 91 8.216 -11.827 4.372 679 3HD1 ILE 91 HD1 ILE 91 7.238 -12.902 5.373 680 H ARG 92 HN ARG 92 6.971 -7.943 7.008 681 HA ARG 92 HA ARG 92 4.670 -7.046 5.414 682 1HB ARG 92 HB1 ARG 92 4.620 -5.019 6.385 683 2HB ARG 92 HB2 ARG 92 5.492 -5.799 7.697 684 1HG ARG 92 HG1 ARG 92 7.616 -5.070 6.686 685 2HG ARG 92 HG2 ARG 92 6.703 -4.229 5.431 686 1HD ARG 92 HD1 ARG 92 5.812 -2.688 6.961 687 2HD ARG 92 HD2 ARG 92 6.251 -3.686 8.348 688 HE ARG 92 HE ARG 92 8.500 -2.767 6.804 689 1HH1 ARG 92 HH2 ARG 92 6.309 -2.032 9.413 690 2HH1 ARG 92 HH2 ARG 92 7.398 -0.932 10.189 691 1HH2 ARG 92 HH1 ARG 92 9.939 -1.320 7.819 692 2HH2 ARG 92 HH1 ARG 92 9.461 -0.526 9.284 693 H TYR 93 HN TYR 93 5.084 -6.213 3.431 694 HA TYR 93 HA TYR 93 7.898 -6.049 2.591 695 1HB TYR 93 HB1 TYR 93 5.961 -6.673 0.473 696 2HB TYR 93 HB2 TYR 93 7.546 -7.368 0.789 697 HD1 TYR 93 HD1 TYR 93 7.725 -9.118 2.650 698 HD2 TYR 93 HD2 TYR 93 4.021 -7.875 0.971 699 HE1 TYR 93 HE1 TYR 93 6.661 -11.169 3.490 700 HE2 TYR 93 HE2 TYR 93 2.948 -9.922 1.805 701 HH TYR 93 HH TYR 93 4.301 -12.536 2.551 702 H LEU 94 HN LEU 94 8.129 -4.686 0.561 703 HA LEU 94 HA LEU 94 6.074 -2.710 0.126 704 1HB LEU 94 HB1 LEU 94 7.972 -0.898 0.572 705 2HB LEU 94 HB2 LEU 94 6.853 -1.415 1.818 706 HG LEU 94 HG LEU 94 9.280 -3.049 1.682 707 1HD1 LEU 94 HD1 LEU 94 9.712 -0.363 1.263 708 2HD1 LEU 94 HD1 LEU 94 10.880 -1.516 1.908 709 3HD1 LEU 94 HD1 LEU 94 9.905 -0.540 3.007 710 1HD2 LEU 94 HD2 LEU 94 8.351 -3.481 3.664 711 2HD2 LEU 94 HD2 LEU 94 7.378 -2.012 3.624 712 3HD2 LEU 94 HD2 LEU 94 9.046 -1.949 4.190 713 H ILE 95 HN ILE 95 6.320 -1.583 -1.794 714 HA ILE 95 HA ILE 95 8.752 -2.132 -3.348 715 HB ILE 95 HB ILE 95 7.706 -2.988 -5.144 716 1HG1 ILE 95 HG1 ILE 95 5.095 -2.345 -5.462 717 2HG1 ILE 95 HG1 ILE 95 5.638 -0.924 -4.573 718 1HG2 ILE 95 HG2 ILE 95 5.631 -3.449 -3.009 719 2HG2 ILE 95 HG2 ILE 95 7.003 -4.479 -3.417 720 3HG2 ILE 95 HG2 ILE 95 5.669 -4.297 -4.555 721 1HD1 ILE 95 HD1 ILE 95 5.871 -0.324 -6.800 722 2HD1 ILE 95 HD1 ILE 95 6.516 -1.903 -7.260 723 3HD1 ILE 95 HD1 ILE 95 7.504 -0.784 -6.318 724 H GLN 96 HN GLN 96 9.340 -0.526 -4.865 725 HA GLN 96 HA GLN 96 7.821 1.971 -4.813 726 1HB GLN 96 HB1 GLN 96 9.914 3.257 -4.365 727 2HB GLN 96 HB2 GLN 96 9.382 2.279 -3.004 728 1HG GLN 96 HG1 GLN 96 11.091 0.711 -3.317 729 2HG GLN 96 HG2 GLN 96 11.444 1.294 -4.943 730 1HE2 GLN 96 HE2 GLN 96 11.932 3.795 -4.868 731 2HE2 GLN 96 HE2 GLN 96 13.141 4.238 -3.716 732 H LYS 97 HN LYS 97 8.428 3.450 -6.512 733 HA LYS 97 HA LYS 97 10.097 2.281 -8.620 734 1HB LYS 97 HB1 LYS 97 7.841 1.744 -9.277 735 2HB LYS 97 HB2 LYS 97 7.309 3.392 -8.976 736 1HG LYS 97 HG2 LYS 97 8.453 4.219 -10.857 737 2HG LYS 97 HG1 LYS 97 9.387 2.732 -11.039 738 1HD LYS 97 HD1 LYS 97 6.944 1.698 -11.266 739 2HD LYS 97 HD2 LYS 97 6.593 3.333 -11.830 740 1HE LYS 97 HE2 LYS 97 7.660 3.011 -13.768 741 2HE LYS 97 HE1 LYS 97 9.028 2.223 -12.982 742 1HZ LYS 97 HZ1 LYS 97 8.039 0.161 -13.135 743 2HZ LYS 97 HZ2 LYS 97 7.560 0.877 -14.590 744 3HZ LYS 97 HZ3 LYS 97 6.477 0.786 -13.295 Start of MODEL 13 1 1H MET 1 HT1 MET 1 -34.574 17.808 12.326 2 2H MET 1 HT2 MET 1 -34.535 17.735 10.613 3 3H MET 1 HT3 MET 1 -33.919 19.114 11.427 4 HA MET 1 HA MET 1 -32.033 18.133 12.014 5 1HB MET 1 HB2 MET 1 -31.837 15.712 12.411 6 2HB MET 1 HB1 MET 1 -33.154 16.412 13.343 7 1HG MET 1 HG2 MET 1 -34.547 14.933 12.487 8 2HG MET 1 HG1 MET 1 -34.224 15.557 10.870 9 1HE MET 1 HE1 MET 1 -33.479 13.702 9.005 10 2HE MET 1 HE2 MET 1 -34.909 13.357 9.980 11 3HE MET 1 HE3 MET 1 -33.733 12.083 9.657 12 H GLY 2 HN GLY 2 -33.860 17.878 9.307 13 1HA GLY 2 HA1 GLY 2 -31.686 16.638 7.741 14 2HA GLY 2 HA2 GLY 2 -33.373 16.659 7.250 15 H SER 3 HN SER 3 -33.577 19.508 8.194 16 HA SER 3 HA SER 3 -32.981 20.733 5.696 17 1HB SER 3 HB2 SER 3 -33.462 22.522 7.991 18 2HB SER 3 HB1 SER 3 -34.293 22.430 6.437 19 HG SER 3 HG SER 3 -35.788 21.320 7.386 20 H SER 4 HN SER 4 -31.824 21.603 8.958 21 HA SER 4 HA SER 4 -29.194 22.189 7.783 22 1HB SER 4 HB2 SER 4 -29.033 24.168 9.307 23 2HB SER 4 HB1 SER 4 -30.279 24.334 8.070 24 HG SER 4 HG SER 4 -30.569 24.526 10.679 25 H HIS 5 HN HIS 5 -27.431 21.694 9.043 26 HA HIS 5 HA HIS 5 -27.955 19.922 11.278 27 1HB HIS 5 HB2 HIS 5 -25.743 20.386 9.404 28 2HB HIS 5 HB1 HIS 5 -25.222 20.056 11.053 29 HD2 HIS 5 HD2 HIS 5 -25.280 17.458 11.795 30 HE1 HIS 5 HE1 HIS 5 -27.376 16.024 8.407 31 HE2 HIS 5 HE2 HIS 5 -26.141 15.366 10.523 32 H HIS 6 HN HIS 6 -25.101 21.953 11.152 33 HA HIS 6 HA HIS 6 -26.055 23.517 13.433 34 1HB HIS 6 HB2 HIS 6 -24.074 21.403 13.563 35 2HB HIS 6 HB1 HIS 6 -23.390 22.946 14.062 36 HD2 HIS 6 HD2 HIS 6 -26.125 20.407 15.192 37 HE1 HIS 6 HE1 HIS 6 -25.463 23.228 18.277 38 HE2 HIS 6 HE2 HIS 6 -26.648 21.076 17.644 39 H HIS 7 HN HIS 7 -22.734 23.192 12.305 40 HA HIS 7 HA HIS 7 -22.921 25.763 10.917 41 1HB HIS 7 HB1 HIS 7 -21.104 25.129 13.237 42 2HB HIS 7 HB2 HIS 7 -20.714 26.393 12.074 43 HD2 HIS 7 HD2 HIS 7 -22.900 28.390 11.903 44 HE1 HIS 7 HE1 HIS 7 -23.822 27.752 15.985 45 HE2 HIS 7 HE2 HIS 7 -24.137 29.296 13.997 46 H HIS 8 HN HIS 8 -20.181 26.108 10.477 47 HA HIS 8 HA HIS 8 -19.761 24.244 8.350 48 1HB HIS 8 HB2 HIS 8 -17.876 26.344 9.442 49 2HB HIS 8 HB1 HIS 8 -17.740 25.531 7.886 50 HD2 HIS 8 HD2 HIS 8 -19.526 26.382 5.913 51 HE1 HIS 8 HE1 HIS 8 -20.875 29.729 8.126 52 HE2 HIS 8 HE2 HIS 8 -20.872 28.600 5.854 53 H HIS 9 HN HIS 9 -17.088 23.759 8.274 54 HA HIS 9 HA HIS 9 -16.485 22.274 10.737 55 1HB HIS 9 HB2 HIS 9 -15.595 20.426 9.216 56 2HB HIS 9 HB1 HIS 9 -17.346 20.574 9.331 57 HD2 HIS 9 HD2 HIS 9 -18.473 20.329 6.932 58 HE1 HIS 9 HE1 HIS 9 -15.322 21.996 4.649 59 HE2 HIS 9 HE2 HIS 9 -17.632 20.952 4.557 60 H HIS 10 HN HIS 10 -15.517 24.771 9.229 61 HA HIS 10 HA HIS 10 -12.844 24.202 8.413 62 1HB HIS 10 HB1 HIS 10 -14.586 26.527 8.579 63 2HB HIS 10 HB2 HIS 10 -12.939 26.909 9.065 64 HD2 HIS 10 HD2 HIS 10 -14.998 26.569 5.933 65 HE1 HIS 10 HE1 HIS 10 -10.940 26.318 4.755 66 HE2 HIS 10 HE2 HIS 10 -13.329 26.597 3.948 67 H SER 11 HN SER 11 -11.210 23.707 9.702 68 HA SER 11 HA SER 11 -11.148 24.869 12.410 69 1HB SER 11 HB2 SER 11 -11.585 22.281 12.064 70 2HB SER 11 HB1 SER 11 -9.833 22.239 11.856 71 HG SER 11 HG SER 11 -9.622 23.184 13.903 72 H SER 12 HN SER 12 -8.750 24.378 13.313 73 HA SER 12 HA SER 12 -7.037 25.977 11.647 74 1HB SER 12 HB1 SER 12 -6.626 26.541 13.831 75 2HB SER 12 HB2 SER 12 -6.948 24.912 14.424 76 HG SER 12 HG SER 12 -4.592 25.968 13.310 77 H GLY 13 HN GLY 13 -4.932 25.379 10.913 78 1HA GLY 13 HA2 GLY 13 -4.857 22.762 9.762 79 2HA GLY 13 HA1 GLY 13 -3.605 23.989 9.637 80 H LEU 14 HN LEU 14 -3.633 21.009 10.254 81 HA LEU 14 HA LEU 14 -2.599 20.862 12.947 82 1HB LEU 14 HB1 LEU 14 -3.306 18.967 10.808 83 2HB LEU 14 HB2 LEU 14 -1.953 18.473 11.807 84 HG LEU 14 HG LEU 14 -4.153 19.412 13.437 85 1HD1 LEU 14 HD2 LEU 14 -5.204 18.391 11.225 86 2HD1 LEU 14 HD2 LEU 14 -5.897 18.091 12.819 87 3HD1 LEU 14 HD2 LEU 14 -4.859 16.880 12.067 88 1HD2 LEU 14 HD1 LEU 14 -2.632 18.129 14.567 89 2HD2 LEU 14 HD1 LEU 14 -2.384 17.031 13.210 90 3HD2 LEU 14 HD1 LEU 14 -3.850 16.913 14.183 91 H VAL 15 HN VAL 15 -0.463 19.863 13.380 92 HA VAL 15 HA VAL 15 1.570 21.244 11.854 93 HB VAL 15 HB VAL 15 1.796 21.310 14.246 94 1HG1 VAL 15 HG2 VAL 15 1.410 19.600 15.628 95 2HG1 VAL 15 HG2 VAL 15 2.437 18.507 14.701 96 3HG1 VAL 15 HG2 VAL 15 0.761 18.764 14.217 97 1HG2 VAL 15 HG1 VAL 15 3.868 21.238 12.958 98 2HG2 VAL 15 HG1 VAL 15 3.881 19.478 13.066 99 3HG2 VAL 15 HG1 VAL 15 4.068 20.452 14.524 100 HA PRO 16 HA PRO 16 2.525 17.867 9.125 101 1HB PRO 16 HB2 PRO 16 5.262 19.028 9.241 102 2HB PRO 16 HB1 PRO 16 4.259 18.648 7.838 103 1HG PRO 16 HG1 PRO 16 4.593 21.170 8.619 104 2HG PRO 16 HG2 PRO 16 3.017 20.601 8.034 105 1HD PRO 16 HD2 PRO 16 3.931 21.114 10.835 106 2HD PRO 16 HD1 PRO 16 2.352 21.431 10.088 107 H ARG 17 HN ARG 17 2.453 16.044 10.382 108 HA ARG 17 HA ARG 17 4.934 15.340 11.807 109 1HB ARG 17 HB1 ARG 17 2.669 15.726 13.113 110 2HB ARG 17 HB2 ARG 17 2.319 14.097 12.552 111 1HG ARG 17 HG1 ARG 17 3.984 13.151 13.824 112 2HG ARG 17 HG2 ARG 17 4.916 14.648 13.908 113 1HD ARG 17 HD2 ARG 17 3.822 14.003 16.052 114 2HD ARG 17 HD1 ARG 17 3.376 15.604 15.463 115 HE ARG 17 HE ARG 17 1.463 13.868 14.494 116 1HH1 ARG 17 HH1 ARG 17 2.639 14.879 17.614 117 2HH1 ARG 17 HH1 ARG 17 1.119 14.637 18.409 118 1HH2 ARG 17 HH2 ARG 17 -0.542 13.546 15.532 119 2HH2 ARG 17 HH2 ARG 17 -0.689 13.879 17.225 120 H GLY 18 HN GLY 18 2.098 14.016 10.119 121 1HA GLY 18 HA2 GLY 18 3.857 11.964 8.961 122 2HA GLY 18 HA1 GLY 18 2.370 11.465 9.752 123 H SER 19 HN SER 19 2.272 14.471 8.113 124 HA SER 19 HA SER 19 0.424 13.369 6.169 125 1HB SER 19 HB1 SER 19 0.771 15.891 7.459 126 2HB SER 19 HB2 SER 19 0.887 16.149 5.718 127 HG SER 19 HG SER 19 -1.295 16.103 6.866 128 H HIS 20 HN HIS 20 2.660 12.231 5.486 129 HA HIS 20 HA HIS 20 4.214 13.826 3.647 130 1HB HIS 20 HB1 HIS 20 4.256 10.849 4.197 131 2HB HIS 20 HB2 HIS 20 5.429 11.720 3.213 132 HD2 HIS 20 HD2 HIS 20 5.582 10.215 6.431 133 HE1 HIS 20 HE1 HIS 20 7.370 13.993 7.097 134 HE2 HIS 20 HE2 HIS 20 7.052 11.650 8.016 135 H MET 21 HN MET 21 1.209 12.735 3.418 136 HA MET 21 HA MET 21 1.089 11.267 1.028 137 1HB MET 21 HB1 MET 21 -0.893 13.097 2.378 138 2HB MET 21 HB2 MET 21 -1.277 12.211 0.909 139 1HG MET 21 HG2 MET 21 -1.768 10.407 2.082 140 2HG MET 21 HG1 MET 21 -0.163 10.406 2.811 141 1HE MET 21 HE1 MET 21 -3.288 9.634 4.559 142 2HE MET 21 HE2 MET 21 -3.651 10.527 3.082 143 3HE MET 21 HE3 MET 21 -4.104 11.195 4.650 144 H LYS 22 HN LYS 22 2.137 11.974 -0.737 145 HA LYS 22 HA LYS 22 2.237 14.758 -1.451 146 1HB LYS 22 HB1 LYS 22 3.895 12.684 -1.932 147 2HB LYS 22 HB2 LYS 22 3.000 12.704 -3.446 148 1HG LYS 22 HG2 LYS 22 4.615 14.151 -4.045 149 2HG LYS 22 HG1 LYS 22 3.569 15.315 -3.230 150 1HD LYS 22 HD1 LYS 22 4.871 14.902 -1.137 151 2HD LYS 22 HD2 LYS 22 5.986 13.920 -2.090 152 1HE LYS 22 HE1 LYS 22 5.341 16.789 -2.738 153 2HE LYS 22 HE2 LYS 22 6.686 16.311 -1.702 154 1HZ LYS 22 HZ1 LYS 22 7.317 14.827 -3.699 155 2HZ LYS 22 HZ2 LYS 22 7.668 16.481 -3.762 156 3HZ LYS 22 HZ3 LYS 22 6.326 15.870 -4.590 157 H ASN 23 HN ASN 23 1.351 12.062 -3.589 158 HA ASN 23 HA ASN 23 -1.094 13.513 -4.326 159 1HB ASN 23 HB1 ASN 23 1.109 12.583 -6.144 160 2HB ASN 23 HB2 ASN 23 -0.545 12.696 -6.738 161 1HD2 ASN 23 HD2 ASN 23 -1.563 14.893 -5.772 162 2HD2 ASN 23 HD2 ASN 23 -0.637 16.290 -6.192 163 H ILE 24 HN ILE 24 0.506 10.569 -5.533 164 HA ILE 24 HA ILE 24 -1.956 9.090 -4.883 165 HB ILE 24 HB ILE 24 -1.588 9.097 -7.252 166 1HG1 ILE 24 HG1 ILE 24 -0.541 6.393 -6.833 167 2HG1 ILE 24 HG1 ILE 24 -1.857 6.804 -5.738 168 1HG2 ILE 24 HG2 ILE 24 0.998 7.675 -7.147 169 2HG2 ILE 24 HG2 ILE 24 1.023 9.395 -6.757 170 3HG2 ILE 24 HG2 ILE 24 0.393 8.853 -8.312 171 1HD1 ILE 24 HD1 ILE 24 -1.878 6.653 -8.722 172 2HD1 ILE 24 HD1 ILE 24 -3.104 7.565 -7.840 173 3HD1 ILE 24 HD1 ILE 24 -2.916 5.833 -7.557 174 H VAL 25 HN VAL 25 1.582 8.870 -4.906 175 HA VAL 25 HA VAL 25 1.916 6.339 -3.830 176 HB VAL 25 HB VAL 25 3.834 7.498 -4.625 177 1HG1 VAL 25 HG2 VAL 25 4.104 9.681 -4.363 178 2HG1 VAL 25 HG2 VAL 25 4.312 9.470 -2.624 179 3HG1 VAL 25 HG2 VAL 25 2.700 9.716 -3.296 180 1HG2 VAL 25 HG1 VAL 25 5.382 6.947 -3.009 181 2HG2 VAL 25 HG1 VAL 25 3.977 6.019 -2.485 182 3HG2 VAL 25 HG1 VAL 25 4.376 7.542 -1.689 183 HA PRO 26 HA PRO 26 2.754 4.935 -2.355 184 1HB PRO 26 HB1 PRO 26 0.916 3.411 -0.660 185 2HB PRO 26 HB2 PRO 26 2.681 3.418 -0.669 186 1HG PRO 26 HG1 PRO 26 1.253 4.489 1.351 187 2HG PRO 26 HG2 PRO 26 2.815 5.155 0.839 188 1HD PRO 26 HD2 PRO 26 0.046 6.115 0.203 189 2HD PRO 26 HD1 PRO 26 1.486 7.053 0.651 190 H ASP 27 HN ASP 27 2.105 3.558 -3.958 191 HA ASP 27 HA ASP 27 -0.231 4.120 -5.371 192 1HB ASP 27 HB1 ASP 27 2.051 2.743 -5.923 193 2HB ASP 27 HB2 ASP 27 0.890 1.425 -5.792 194 H TYR 28 HN TYR 28 0.458 0.892 -3.959 195 HA TYR 28 HA TYR 28 -2.348 0.828 -3.061 196 1HB TYR 28 HB2 TYR 28 -0.944 -1.346 -4.624 197 2HB TYR 28 HB1 TYR 28 -2.523 -1.519 -3.864 198 HD1 TYR 28 HD1 TYR 28 -0.929 -0.878 -6.879 199 HD2 TYR 28 HD2 TYR 28 -4.215 0.468 -4.537 200 HE1 TYR 28 HE1 TYR 28 -1.997 0.019 -8.904 201 HE2 TYR 28 HE2 TYR 28 -5.293 1.369 -6.555 202 HH TYR 28 HH TYR 28 -5.243 1.027 -8.977 203 H ARG 29 HN ARG 29 -2.806 -0.892 -1.481 204 HA ARG 29 HA ARG 29 -0.437 -1.762 0.011 205 1HB ARG 29 HB2 ARG 29 -1.295 -1.005 2.100 206 2HB ARG 29 HB1 ARG 29 -1.376 0.356 0.991 207 1HG ARG 29 HG2 ARG 29 -3.813 -1.249 1.044 208 2HG ARG 29 HG1 ARG 29 -3.407 -0.513 2.596 209 1HD ARG 29 HD1 ARG 29 -3.266 1.154 0.131 210 2HD ARG 29 HD2 ARG 29 -4.847 0.777 0.813 211 HE ARG 29 HE ARG 29 -2.757 2.405 2.044 212 1HH1 ARG 29 HH2 ARG 29 -5.930 0.973 2.225 213 2HH1 ARG 29 HH2 ARG 29 -6.455 1.990 3.525 214 1HH2 ARG 29 HH1 ARG 29 -3.442 3.746 3.755 215 2HH2 ARG 29 HH1 ARG 29 -5.041 3.566 4.395 216 H LEU 30 HN LEU 30 -0.636 -3.657 1.148 217 HA LEU 30 HA LEU 30 -3.207 -5.062 1.081 218 1HB LEU 30 HB1 LEU 30 -1.474 -5.739 -0.772 219 2HB LEU 30 HB2 LEU 30 -0.674 -6.574 0.544 220 HG LEU 30 HG LEU 30 -2.215 -7.981 -0.888 221 1HD1 LEU 30 HD2 LEU 30 -2.150 -7.808 2.048 222 2HD1 LEU 30 HD2 LEU 30 -1.807 -9.168 0.979 223 3HD1 LEU 30 HD2 LEU 30 -3.475 -8.757 1.377 224 1HD2 LEU 30 HD1 LEU 30 -4.373 -7.506 -1.139 225 2HD2 LEU 30 HD1 LEU 30 -3.997 -5.915 -0.478 226 3HD2 LEU 30 HD1 LEU 30 -4.590 -7.192 0.583 227 H ASP 31 HN ASP 31 -3.264 -4.390 3.312 228 HA ASP 31 HA ASP 31 -1.259 -5.630 5.052 229 1HB ASP 31 HB2 ASP 31 -2.411 -4.144 6.810 230 2HB ASP 31 HB1 ASP 31 -1.452 -3.347 5.566 231 H MET 32 HN MET 32 -2.447 -7.705 4.450 232 HA MET 32 HA MET 32 -4.359 -8.260 6.584 233 1HB MET 32 HB1 MET 32 -4.948 -8.394 3.718 234 2HB MET 32 HB2 MET 32 -5.315 -9.884 4.577 235 1HG MET 32 HG1 MET 32 -6.506 -8.305 6.262 236 2HG MET 32 HG2 MET 32 -6.491 -7.167 4.916 237 1HE MET 32 HE1 MET 32 -6.837 -10.835 5.571 238 2HE MET 32 HE2 MET 32 -8.241 -11.370 4.647 239 3HE MET 32 HE3 MET 32 -8.461 -10.578 6.207 240 H VAL 33 HN VAL 33 -4.000 -10.665 4.182 241 HA VAL 33 HA VAL 33 -1.796 -11.959 5.620 242 HB VAL 33 HB VAL 33 -4.131 -13.610 4.716 243 1HG1 VAL 33 HG1 VAL 33 -1.801 -13.947 6.560 244 2HG1 VAL 33 HG1 VAL 33 -2.324 -14.968 5.220 245 3HG1 VAL 33 HG1 VAL 33 -3.233 -14.964 6.732 246 1HG2 VAL 33 HG2 VAL 33 -3.916 -12.046 7.265 247 2HG2 VAL 33 HG2 VAL 33 -4.838 -13.547 7.182 248 3HG2 VAL 33 HG2 VAL 33 -5.283 -12.182 6.159 249 H GLY 34 HN GLY 34 -0.710 -13.608 4.351 250 1HA GLY 34 HA2 GLY 34 -0.265 -12.860 1.681 251 2HA GLY 34 HA1 GLY 34 0.261 -14.370 2.411 252 H GLU 35 HN GLU 35 -2.853 -14.547 2.986 253 HA GLU 35 HA GLU 35 -3.429 -16.466 1.033 254 1HB GLU 35 HB1 GLU 35 -5.575 -16.590 1.999 255 2HB GLU 35 HB2 GLU 35 -4.523 -16.099 3.321 256 1HG GLU 35 HG2 GLU 35 -5.217 -13.737 2.883 257 2HG GLU 35 HG1 GLU 35 -6.408 -14.368 1.747 258 HA PRO 36 HA PRO 36 -4.917 -14.341 -2.542 259 1HB PRO 36 HB1 PRO 36 -7.366 -15.489 -3.023 260 2HB PRO 36 HB2 PRO 36 -5.819 -16.242 -3.427 261 1HG PRO 36 HG2 PRO 36 -7.583 -16.688 -1.049 262 2HG PRO 36 HG1 PRO 36 -6.713 -17.877 -2.037 263 1HD PRO 36 HD1 PRO 36 -5.778 -17.098 0.349 264 2HD PRO 36 HD2 PRO 36 -4.682 -17.433 -1.008 265 H CYS 37 HN CYS 37 -6.295 -13.837 0.402 266 HA CYS 37 HA CYS 37 -8.282 -11.931 -0.635 267 1HB CYS 37 HB1 CYS 37 -8.186 -13.676 1.742 268 2HB CYS 37 HB2 CYS 37 -8.763 -12.041 2.050 269 HG CYS 37 HG CYS 37 -10.867 -13.292 1.441 270 HA PRO 38 HA PRO 38 -9.531 -10.301 0.610 271 1HB PRO 38 HB1 PRO 38 -9.752 -7.690 -0.041 272 2HB PRO 38 HB2 PRO 38 -9.636 -8.244 1.633 273 1HG PRO 38 HG2 PRO 38 -7.513 -7.102 -0.142 274 2HG PRO 38 HG1 PRO 38 -7.837 -6.773 1.570 275 1HD PRO 38 HD1 PRO 38 -5.873 -8.461 0.716 276 2HD PRO 38 HD2 PRO 38 -6.707 -8.644 2.271 277 H TYR 39 HN TYR 39 -7.633 -8.117 -1.502 278 HA TYR 39 HA TYR 39 -9.175 -8.806 -3.786 279 1HB TYR 39 HB2 TYR 39 -6.568 -7.304 -3.543 280 2HB TYR 39 HB1 TYR 39 -7.463 -7.486 -5.048 281 HD1 TYR 39 HD1 TYR 39 -7.197 -5.684 -1.930 282 HD2 TYR 39 HD2 TYR 39 -9.748 -6.477 -5.241 283 HE1 TYR 39 HE1 TYR 39 -8.544 -3.708 -1.359 284 HE2 TYR 39 HE2 TYR 39 -11.102 -4.503 -4.679 285 HH TYR 39 HH TYR 39 -10.340 -2.121 -3.159 286 HA PRO 40 HA PRO 40 -5.927 -8.675 -2.179 287 1HB PRO 40 HB1 PRO 40 -3.582 -9.932 -1.711 288 2HB PRO 40 HB2 PRO 40 -5.114 -10.551 -1.086 289 1HG PRO 40 HG1 PRO 40 -3.392 -11.665 -3.165 290 2HG PRO 40 HG2 PRO 40 -4.765 -12.414 -2.339 291 1HD PRO 40 HD1 PRO 40 -4.677 -11.057 -4.947 292 2HD PRO 40 HD2 PRO 40 -5.906 -12.162 -4.293 293 H ALA 41 HN ALA 41 -3.026 -9.931 -3.696 294 HA ALA 41 HA ALA 41 -1.869 -7.428 -4.209 295 1HB ALA 41 HB1 ALA 41 -1.242 -10.244 -4.957 296 2HB ALA 41 HB2 ALA 41 -0.318 -9.100 -3.983 297 3HB ALA 41 HB3 ALA 41 -0.360 -8.931 -5.736 298 H VAL 42 HN VAL 42 -4.510 -8.479 -5.739 299 HA VAL 42 HA VAL 42 -4.001 -8.388 -8.469 300 HB VAL 42 HB VAL 42 -6.233 -8.810 -7.175 301 1HG1 VAL 42 HG2 VAL 42 -7.043 -6.115 -8.050 302 2HG1 VAL 42 HG2 VAL 42 -6.075 -6.193 -6.578 303 3HG1 VAL 42 HG2 VAL 42 -7.596 -7.081 -6.682 304 1HG2 VAL 42 HG1 VAL 42 -7.421 -8.681 -9.200 305 2HG2 VAL 42 HG1 VAL 42 -5.741 -8.956 -9.663 306 3HG2 VAL 42 HG1 VAL 42 -6.435 -7.340 -9.785 307 H ALA 43 HN ALA 43 -4.017 -5.878 -6.099 308 HA ALA 43 HA ALA 43 -4.220 -3.671 -7.926 309 1HB ALA 43 HB1 ALA 43 -2.955 -3.312 -5.270 310 2HB ALA 43 HB2 ALA 43 -4.638 -3.836 -5.306 311 3HB ALA 43 HB3 ALA 43 -4.167 -2.330 -6.092 312 H THR 44 HN THR 44 -1.639 -5.492 -6.394 313 HA THR 44 HA THR 44 0.540 -3.883 -6.929 314 HB THR 44 HB THR 44 0.667 -6.874 -7.195 315 HG1 THR 44 HG1 THR 44 -0.200 -5.394 -5.057 316 1HG2 THR 44 HG2 THR 44 2.809 -6.022 -7.406 317 2HG2 THR 44 HG2 THR 44 2.695 -6.447 -5.698 318 3HG2 THR 44 HG2 THR 44 2.532 -4.764 -6.201 319 H LEU 45 HN LEU 45 -0.432 -6.693 -8.892 320 HA LEU 45 HA LEU 45 1.254 -6.210 -11.042 321 1HB LEU 45 HB2 LEU 45 -1.327 -7.686 -10.727 322 2HB LEU 45 HB1 LEU 45 -0.631 -7.500 -12.325 323 HG LEU 45 HG LEU 45 0.881 -8.710 -10.013 324 1HD1 LEU 45 HD1 LEU 45 -0.994 -9.954 -11.984 325 2HD1 LEU 45 HD1 LEU 45 -0.859 -10.224 -10.247 326 3HD1 LEU 45 HD1 LEU 45 0.368 -10.869 -11.337 327 1HD2 LEU 45 HD2 LEU 45 1.341 -8.424 -12.954 328 2HD2 LEU 45 HD2 LEU 45 2.079 -9.750 -12.054 329 3HD2 LEU 45 HD2 LEU 45 2.433 -8.079 -11.612 330 H GLU 46 HN GLU 46 -1.991 -4.987 -10.405 331 HA GLU 46 HA GLU 46 -2.440 -3.833 -12.942 332 1HB GLU 46 HB1 GLU 46 -4.413 -3.945 -11.804 333 2HB GLU 46 HB2 GLU 46 -3.656 -3.653 -10.247 334 1HG GLU 46 HG2 GLU 46 -3.506 -1.279 -10.745 335 2HG GLU 46 HG1 GLU 46 -4.223 -1.557 -12.331 336 H ALA 47 HN ALA 47 -0.656 -2.801 -10.149 337 HA ALA 47 HA ALA 47 -0.480 -0.040 -10.858 338 1HB ALA 47 HB1 ALA 47 0.857 0.222 -8.994 339 2HB ALA 47 HB2 ALA 47 1.531 -1.403 -9.119 340 3HB ALA 47 HB3 ALA 47 -0.124 -1.177 -8.556 341 H MET 48 HN MET 48 1.236 -2.906 -11.784 342 HA MET 48 HA MET 48 3.705 -1.845 -12.489 343 1HB MET 48 HB2 MET 48 2.158 -4.143 -13.682 344 2HB MET 48 HB1 MET 48 3.807 -3.751 -14.153 345 1HG MET 48 HG2 MET 48 2.888 -4.493 -11.384 346 2HG MET 48 HG1 MET 48 3.754 -5.538 -12.510 347 1HE MET 48 HE1 MET 48 5.319 -2.159 -9.930 348 2HE MET 48 HE2 MET 48 4.618 -3.630 -9.257 349 3HE MET 48 HE3 MET 48 3.647 -2.586 -10.295 350 HA PRO 49 HA PRO 49 2.104 -0.871 -16.923 351 1HB PRO 49 HB2 PRO 49 -0.817 -0.940 -16.794 352 2HB PRO 49 HB1 PRO 49 0.269 -1.751 -17.925 353 1HG PRO 49 HG1 PRO 49 -1.140 -3.101 -16.058 354 2HG PRO 49 HG2 PRO 49 0.464 -3.624 -16.602 355 1HD PRO 49 HD2 PRO 49 -0.299 -2.138 -14.114 356 2HD PRO 49 HD1 PRO 49 0.851 -3.478 -14.318 357 H GLN 50 HN GLN 50 -0.297 0.013 -14.457 358 HA GLN 50 HA GLN 50 -0.620 2.682 -15.410 359 1HB GLN 50 HB1 GLN 50 -1.610 1.071 -13.133 360 2HB GLN 50 HB2 GLN 50 -1.550 2.808 -12.873 361 1HG GLN 50 HG1 GLN 50 -2.712 2.649 -15.334 362 2HG GLN 50 HG2 GLN 50 -3.346 1.212 -14.531 363 1HE2 GLN 50 HE2 GLN 50 -4.281 1.565 -12.361 364 2HE2 GLN 50 HE2 GLN 50 -5.171 3.020 -12.089 365 H LEU 51 HN LEU 51 2.061 1.410 -14.234 366 HA LEU 51 HA LEU 51 2.971 2.712 -12.045 367 1HB LEU 51 HB2 LEU 51 5.086 2.191 -12.739 368 2HB LEU 51 HB1 LEU 51 4.151 1.132 -13.770 369 HG LEU 51 HG LEU 51 4.483 3.614 -15.131 370 1HD1 LEU 51 HD1 LEU 51 6.750 4.029 -15.146 371 2HD1 LEU 51 HD1 LEU 51 7.155 2.437 -14.508 372 3HD1 LEU 51 HD1 LEU 51 6.463 3.662 -13.446 373 1HD2 LEU 51 HD2 LEU 51 5.891 1.027 -15.720 374 2HD2 LEU 51 HD2 LEU 51 5.323 2.254 -16.852 375 3HD2 LEU 51 HD2 LEU 51 4.162 1.242 -15.992 376 H LYS 52 HN LYS 52 4.192 4.625 -11.666 377 HA LYS 52 HA LYS 52 3.619 6.808 -13.557 378 1HB LYS 52 HB2 LYS 52 2.976 6.544 -10.710 379 2HB LYS 52 HB1 LYS 52 3.803 8.044 -11.102 380 1HG LYS 52 HG2 LYS 52 1.784 8.832 -11.601 381 2HG LYS 52 HG1 LYS 52 1.915 7.877 -13.079 382 1HD LYS 52 HD2 LYS 52 0.706 6.067 -12.112 383 2HD LYS 52 HD1 LYS 52 0.778 6.798 -10.507 384 1HE LYS 52 HE2 LYS 52 -0.414 8.588 -12.441 385 2HE LYS 52 HE1 LYS 52 -1.272 7.049 -12.368 386 1HZ LYS 52 HZ1 LYS 52 -2.254 7.789 -10.542 387 2HZ LYS 52 HZ2 LYS 52 -1.303 9.186 -10.519 388 3HZ LYS 52 HZ3 LYS 52 -0.759 7.782 -9.751 389 H LYS 53 HN LYS 53 4.987 8.771 -11.973 390 HA LYS 53 HA LYS 53 7.667 8.259 -12.865 391 1HB LYS 53 HB1 LYS 53 6.173 10.518 -12.537 392 2HB LYS 53 HB2 LYS 53 7.205 10.584 -11.114 393 1HG LYS 53 HG2 LYS 53 8.512 11.718 -12.583 394 2HG LYS 53 HG1 LYS 53 9.089 10.080 -12.893 395 1HD LYS 53 HD2 LYS 53 6.846 10.452 -14.546 396 2HD LYS 53 HD1 LYS 53 7.812 11.923 -14.683 397 1HE LYS 53 HE2 LYS 53 9.157 9.263 -14.838 398 2HE LYS 53 HE1 LYS 53 8.283 9.875 -16.242 399 1HZ LYS 53 HZ1 LYS 53 10.240 11.597 -14.881 400 2HZ LYS 53 HZ2 LYS 53 9.730 11.625 -16.493 401 3HZ LYS 53 HZ3 LYS 53 10.779 10.411 -15.958 402 H GLY 54 HN GLY 54 6.195 6.993 -10.345 403 1HA GLY 54 HA2 GLY 54 8.334 6.060 -8.966 404 2HA GLY 54 HA1 GLY 54 8.046 7.626 -8.222 405 H GLU 55 HN GLU 55 6.612 4.476 -8.900 406 HA GLU 55 HA GLU 55 4.371 4.963 -7.155 407 1HB GLU 55 HB2 GLU 55 3.528 2.925 -7.855 408 2HB GLU 55 HB1 GLU 55 4.447 3.448 -9.257 409 1HG GLU 55 HG1 GLU 55 5.998 1.809 -9.023 410 2HG GLU 55 HG2 GLU 55 5.840 1.754 -7.268 411 H ILE 56 HN ILE 56 3.870 3.143 -5.524 412 HA ILE 56 HA ILE 56 6.085 2.009 -4.117 413 HB ILE 56 HB ILE 56 4.878 4.553 -3.147 414 1HG1 ILE 56 HG1 ILE 56 7.582 3.264 -2.710 415 2HG1 ILE 56 HG1 ILE 56 7.204 4.390 -4.009 416 1HG2 ILE 56 HG2 ILE 56 5.402 4.012 -0.806 417 2HG2 ILE 56 HG2 ILE 56 5.716 2.342 -1.280 418 3HG2 ILE 56 HG2 ILE 56 4.095 3.017 -1.448 419 1HD1 ILE 56 HD1 ILE 56 6.807 5.166 -1.152 420 2HD1 ILE 56 HD1 ILE 56 7.036 6.193 -2.566 421 3HD1 ILE 56 HD1 ILE 56 8.392 5.271 -1.919 422 H LEU 57 HN LEU 57 5.360 0.648 -2.323 423 HA LEU 57 HA LEU 57 2.462 0.229 -2.183 424 1HB LEU 57 HB2 LEU 57 3.929 -1.354 -3.755 425 2HB LEU 57 HB1 LEU 57 4.144 -2.203 -2.254 426 HG LEU 57 HG LEU 57 1.502 -2.000 -2.178 427 1HD1 LEU 57 HD2 LEU 57 0.434 -1.937 -4.239 428 2HD1 LEU 57 HD2 LEU 57 1.926 -2.235 -5.130 429 3HD1 LEU 57 HD2 LEU 57 1.652 -0.668 -4.371 430 1HD2 LEU 57 HD1 LEU 57 3.172 -3.982 -3.698 431 2HD2 LEU 57 HD1 LEU 57 1.441 -4.200 -3.445 432 3HD2 LEU 57 HD1 LEU 57 2.530 -4.112 -2.060 433 H GLU 58 HN GLU 58 1.822 -1.142 -0.391 434 HA GLU 58 HA GLU 58 3.858 -1.569 1.599 435 1HB GLU 58 HB1 GLU 58 1.320 -0.243 2.518 436 2HB GLU 58 HB2 GLU 58 2.862 -0.356 3.352 437 1HG GLU 58 HG1 GLU 58 3.840 1.273 1.891 438 2HG GLU 58 HG2 GLU 58 2.395 1.294 0.882 439 H VAL 59 HN VAL 59 3.666 -3.649 2.053 440 HA VAL 59 HA VAL 59 0.967 -4.831 2.205 441 HB VAL 59 HB VAL 59 3.539 -6.255 1.531 442 1HG1 VAL 59 HG2 VAL 59 1.826 -7.645 2.608 443 2HG1 VAL 59 HG2 VAL 59 2.090 -8.109 0.927 444 3HG1 VAL 59 HG2 VAL 59 0.668 -7.164 1.368 445 1HG2 VAL 59 HG1 VAL 59 1.366 -5.142 -0.223 446 2HG2 VAL 59 HG1 VAL 59 2.462 -6.416 -0.758 447 3HG2 VAL 59 HG1 VAL 59 3.102 -4.837 -0.303 448 H VAL 60 HN VAL 60 0.385 -5.258 4.227 449 HA VAL 60 HA VAL 60 2.435 -6.246 6.100 450 HB VAL 60 HB VAL 60 -0.038 -4.662 6.811 451 1HG1 VAL 60 HG1 VAL 60 0.999 -4.617 9.077 452 2HG1 VAL 60 HG1 VAL 60 2.187 -5.789 8.505 453 3HG1 VAL 60 HG1 VAL 60 0.478 -6.221 8.560 454 1HG2 VAL 60 HG2 VAL 60 1.971 -3.141 7.683 455 2HG2 VAL 60 HG2 VAL 60 1.297 -2.985 6.061 456 3HG2 VAL 60 HG2 VAL 60 2.782 -3.904 6.315 457 H SER 61 HN SER 61 2.097 -8.413 5.743 458 HA SER 61 HA SER 61 -0.554 -9.416 6.519 459 1HB SER 61 HB2 SER 61 0.229 -11.346 4.803 460 2HB SER 61 HB1 SER 61 -0.740 -9.957 4.313 461 HG SER 61 HG SER 61 1.113 -10.311 2.973 462 H ASP 62 HN ASP 62 -0.447 -11.855 6.911 463 HA ASP 62 HA ASP 62 1.993 -12.461 8.455 464 1HB ASP 62 HB2 ASP 62 -0.628 -12.276 9.378 465 2HB ASP 62 HB1 ASP 62 -0.330 -14.004 9.232 466 H CYS 63 HN CYS 63 3.071 -14.275 7.974 467 HA CYS 63 HA CYS 63 1.751 -16.453 6.576 468 1HB CYS 63 HB2 CYS 63 3.256 -14.500 5.165 469 2HB CYS 63 HB1 CYS 63 4.206 -15.982 5.186 470 HG CYS 63 HG CYS 63 1.300 -16.275 4.226 471 HA PRO 64 HA PRO 64 4.508 -18.459 9.505 472 1HB PRO 64 HB1 PRO 64 3.834 -21.011 8.764 473 2HB PRO 64 HB2 PRO 64 2.888 -20.028 9.887 474 1HG PRO 64 HG2 PRO 64 2.461 -20.508 6.962 475 2HG PRO 64 HG1 PRO 64 1.270 -20.470 8.276 476 1HD PRO 64 HD2 PRO 64 1.607 -18.382 6.622 477 2HD PRO 64 HD1 PRO 64 1.232 -18.155 8.343 478 H GLN 65 HN GLN 65 4.442 -18.730 6.069 479 HA GLN 65 HA GLN 65 7.067 -20.061 6.067 480 1HB GLN 65 HB1 GLN 65 5.063 -19.762 3.820 481 2HB GLN 65 HB2 GLN 65 6.611 -20.588 3.702 482 1HG GLN 65 HG2 GLN 65 5.817 -22.452 4.627 483 2HG GLN 65 HG1 GLN 65 4.948 -21.570 5.882 484 1HE2 GLN 65 HE2 GLN 65 3.000 -20.324 4.978 485 2HE2 GLN 65 HE2 GLN 65 1.978 -21.215 3.907 486 H SER 66 HN SER 66 7.856 -19.308 3.492 487 HA SER 66 HA SER 66 8.504 -16.482 3.953 488 1HB SER 66 HB1 SER 66 10.277 -18.389 3.643 489 2HB SER 66 HB2 SER 66 9.906 -18.198 1.929 490 HG SER 66 HG SER 66 11.610 -16.844 2.474 491 H ILE 67 HN ILE 67 6.742 -18.563 1.903 492 HA ILE 67 HA ILE 67 6.816 -17.023 -0.482 493 HB ILE 67 HB ILE 67 4.656 -18.933 0.405 494 1HG1 ILE 67 HG1 ILE 67 6.838 -20.030 0.487 495 2HG1 ILE 67 HG1 ILE 67 5.898 -20.643 -0.870 496 1HG2 ILE 67 HG2 ILE 67 3.677 -18.541 -1.546 497 2HG2 ILE 67 HG2 ILE 67 5.172 -18.899 -2.411 498 3HG2 ILE 67 HG2 ILE 67 4.852 -17.260 -1.844 499 1HD1 ILE 67 HD1 ILE 67 7.536 -18.414 -1.672 500 2HD1 ILE 67 HD1 ILE 67 7.469 -20.056 -2.311 501 3HD1 ILE 67 HD1 ILE 67 8.501 -19.689 -0.928 502 H ASN 68 HN ASN 68 5.700 -15.280 -1.076 503 HA ASN 68 HA ASN 68 3.302 -14.518 0.421 504 1HB ASN 68 HB1 ASN 68 4.567 -12.092 -0.152 505 2HB ASN 68 HB2 ASN 68 4.367 -12.833 1.433 506 1HD2 ASN 68 HD2 ASN 68 6.436 -13.401 -1.399 507 2HD2 ASN 68 HD2 ASN 68 7.920 -13.443 -0.515 508 H ASN 69 HN ASN 69 1.689 -13.930 -0.864 509 HA ASN 69 HA ASN 69 1.892 -14.216 -3.634 510 1HB ASN 69 HB1 ASN 69 -0.229 -13.430 -1.718 511 2HB ASN 69 HB2 ASN 69 -0.492 -12.999 -3.406 512 1HD2 ASN 69 HD2 ASN 69 -2.067 -14.410 -3.904 513 2HD2 ASN 69 HD2 ASN 69 -1.888 -16.128 -3.864 514 H ILE 70 HN ILE 70 1.422 -11.210 -1.745 515 HA ILE 70 HA ILE 70 1.068 -9.534 -3.907 516 HB ILE 70 HB ILE 70 2.550 -8.362 -1.627 517 1HG1 ILE 70 HG1 ILE 70 1.182 -9.934 -0.417 518 2HG1 ILE 70 HG1 ILE 70 0.432 -8.343 -0.276 519 1HG2 ILE 70 HG2 ILE 70 0.218 -7.618 -3.370 520 2HG2 ILE 70 HG2 ILE 70 1.778 -6.809 -3.195 521 3HG2 ILE 70 HG2 ILE 70 0.593 -6.730 -1.892 522 1HD1 ILE 70 HD1 ILE 70 -1.300 -8.913 -1.744 523 2HD1 ILE 70 HD1 ILE 70 -1.098 -10.319 -0.697 524 3HD1 ILE 70 HD1 ILE 70 -0.446 -10.339 -2.336 525 HA PRO 71 HA PRO 71 5.782 -8.436 -4.010 526 1HB PRO 71 HB2 PRO 71 7.460 -10.362 -3.015 527 2HB PRO 71 HB1 PRO 71 6.945 -8.930 -2.116 528 1HG PRO 71 HG1 PRO 71 5.897 -11.725 -1.995 529 2HG PRO 71 HG2 PRO 71 6.194 -10.580 -0.674 530 1HD PRO 71 HD2 PRO 71 3.718 -11.044 -1.635 531 2HD PRO 71 HD1 PRO 71 4.215 -9.442 -1.051 532 H LEU 72 HN LEU 72 4.791 -11.822 -4.153 533 HA LEU 72 HA LEU 72 6.503 -12.584 -6.284 534 1HB LEU 72 HB2 LEU 72 4.338 -13.749 -4.760 535 2HB LEU 72 HB1 LEU 72 4.224 -14.160 -6.458 536 HG LEU 72 HG LEU 72 6.928 -14.537 -5.698 537 1HD1 LEU 72 HD2 LEU 72 4.933 -15.723 -3.784 538 2HD1 LEU 72 HD2 LEU 72 6.332 -14.718 -3.407 539 3HD1 LEU 72 HD2 LEU 72 6.562 -16.359 -4.010 540 1HD2 LEU 72 HD1 LEU 72 5.942 -17.027 -6.015 541 2HD2 LEU 72 HD1 LEU 72 6.342 -15.947 -7.349 542 3HD2 LEU 72 HD1 LEU 72 4.674 -16.079 -6.792 543 H ASP 73 HN ASP 73 3.424 -11.011 -6.108 544 HA ASP 73 HA ASP 73 2.516 -11.464 -8.727 545 1HB ASP 73 HB2 ASP 73 1.834 -9.685 -6.510 546 2HB ASP 73 HB1 ASP 73 1.570 -8.943 -8.086 547 H ALA 74 HN ALA 74 4.171 -8.596 -7.405 548 HA ALA 74 HA ALA 74 4.592 -7.383 -9.930 549 1HB ALA 74 HB1 ALA 74 6.242 -5.968 -8.678 550 2HB ALA 74 HB2 ALA 74 5.908 -6.956 -7.256 551 3HB ALA 74 HB3 ALA 74 4.618 -6.005 -7.992 552 H ARG 75 HN ARG 75 6.544 -9.527 -7.933 553 HA ARG 75 HA ARG 75 8.940 -9.338 -9.383 554 1HB ARG 75 HB1 ARG 75 8.838 -10.310 -7.148 555 2HB ARG 75 HB2 ARG 75 7.834 -11.627 -7.739 556 1HG ARG 75 HG2 ARG 75 9.589 -12.725 -8.677 557 2HG ARG 75 HG1 ARG 75 10.474 -11.241 -9.030 558 1HD ARG 75 HD2 ARG 75 11.175 -11.022 -6.769 559 2HD ARG 75 HD1 ARG 75 10.079 -12.297 -6.241 560 HE ARG 75 HE ARG 75 12.657 -12.628 -7.529 561 1HH1 ARG 75 HH2 ARG 75 9.667 -14.108 -6.523 562 2HH1 ARG 75 HH2 ARG 75 10.306 -15.717 -6.544 563 1HH2 ARG 75 HH1 ARG 75 13.507 -14.744 -7.560 564 2HH2 ARG 75 HH1 ARG 75 12.489 -16.078 -7.134 565 H ASN 76 HN ASN 76 6.414 -11.849 -9.557 566 HA ASN 76 HA ASN 76 7.450 -13.436 -11.529 567 1HB ASN 76 HB2 ASN 76 5.231 -13.645 -10.203 568 2HB ASN 76 HB1 ASN 76 4.525 -12.738 -11.539 569 1HD2 ASN 76 HD2 ASN 76 6.289 -15.662 -10.708 570 2HD2 ASN 76 HD2 ASN 76 5.746 -16.593 -12.058 571 H HIS 77 HN HIS 77 5.270 -10.664 -12.071 572 HA HIS 77 HA HIS 77 5.567 -10.728 -14.902 573 1HB HIS 77 HB1 HIS 77 3.591 -9.741 -13.840 574 2HB HIS 77 HB2 HIS 77 4.598 -8.512 -13.081 575 HD2 HIS 77 HD2 HIS 77 3.706 -9.562 -16.785 576 HE1 HIS 77 HE1 HIS 77 4.326 -5.382 -16.542 577 HE2 HIS 77 HE2 HIS 77 3.682 -7.304 -18.064 578 H GLY 78 HN GLY 78 6.494 -8.085 -12.699 579 1HA GLY 78 HA1 GLY 78 9.157 -7.916 -13.007 580 2HA GLY 78 HA2 GLY 78 8.584 -7.259 -14.529 581 H TYR 79 HN TYR 79 9.065 -6.715 -11.185 582 HA TYR 79 HA TYR 79 7.599 -4.213 -11.114 583 1HB TYR 79 HB1 TYR 79 8.402 -4.132 -8.770 584 2HB TYR 79 HB2 TYR 79 7.633 -5.676 -9.141 585 HD1 TYR 79 HD1 TYR 79 10.821 -4.004 -8.431 586 HD2 TYR 79 HD2 TYR 79 8.936 -7.721 -9.266 587 HE1 TYR 79 HE1 TYR 79 12.859 -5.187 -7.724 588 HE2 TYR 79 HE2 TYR 79 10.966 -8.916 -8.560 589 HH TYR 79 HH TYR 79 13.820 -7.773 -8.414 590 H THR 80 HN THR 80 9.202 -2.698 -9.491 591 HA THR 80 HA THR 80 11.531 -2.072 -11.184 592 HB THR 80 HB THR 80 9.971 -0.179 -9.409 593 HG1 THR 80 HG1 THR 80 8.749 -0.704 -11.213 594 1HG2 THR 80 HG2 THR 80 12.510 0.186 -10.116 595 2HG2 THR 80 HG2 THR 80 11.348 1.504 -9.984 596 3HG2 THR 80 HG2 THR 80 11.721 0.813 -11.563 597 H VAL 81 HN VAL 81 10.263 -1.863 -7.876 598 HA VAL 81 HA VAL 81 12.800 -2.886 -6.858 599 HB VAL 81 HB VAL 81 11.470 -0.460 -5.645 600 1HG1 VAL 81 HG1 VAL 81 13.653 -2.268 -4.809 601 2HG1 VAL 81 HG1 VAL 81 12.516 -1.333 -3.838 602 3HG1 VAL 81 HG1 VAL 81 13.920 -0.543 -4.558 603 1HG2 VAL 81 HG2 VAL 81 12.466 0.415 -7.545 604 2HG2 VAL 81 HG2 VAL 81 13.802 -0.736 -7.500 605 3HG2 VAL 81 HG2 VAL 81 13.738 0.586 -6.335 606 H LEU 82 HN LEU 82 12.271 -4.643 -5.744 607 HA LEU 82 HA LEU 82 9.775 -4.654 -4.178 608 1HB LEU 82 HB2 LEU 82 10.683 -6.420 -6.250 609 2HB LEU 82 HB1 LEU 82 10.588 -7.314 -4.749 610 HG LEU 82 HG LEU 82 8.534 -7.415 -6.201 611 1HD1 LEU 82 HD1 LEU 82 8.431 -6.420 -3.368 612 2HD1 LEU 82 HD1 LEU 82 8.244 -8.067 -3.970 613 3HD1 LEU 82 HD1 LEU 82 6.974 -6.876 -4.251 614 1HD2 LEU 82 HD2 LEU 82 7.946 -5.450 -7.094 615 2HD2 LEU 82 HD2 LEU 82 8.728 -4.514 -5.822 616 3HD2 LEU 82 HD2 LEU 82 7.121 -5.192 -5.558 617 H ASP 83 HN ASP 83 10.410 -4.359 -2.129 618 HA ASP 83 HA ASP 83 12.546 -6.100 -1.087 619 1HB ASP 83 HB2 ASP 83 11.909 -3.250 -0.292 620 2HB ASP 83 HB1 ASP 83 13.057 -4.288 0.549 621 H ILE 84 HN ILE 84 12.359 -6.502 1.290 622 HA ILE 84 HA ILE 84 9.608 -6.344 2.277 623 HB ILE 84 HB ILE 84 9.447 -8.625 2.859 624 1HG1 ILE 84 HG1 ILE 84 12.225 -9.100 1.767 625 2HG1 ILE 84 HG1 ILE 84 11.887 -8.848 3.477 626 1HG2 ILE 84 HG2 ILE 84 8.717 -8.551 0.698 627 2HG2 ILE 84 HG2 ILE 84 10.005 -9.747 0.552 628 3HG2 ILE 84 HG2 ILE 84 10.294 -8.077 0.064 629 1HD1 ILE 84 HD1 ILE 84 11.473 -11.210 1.801 630 2HD1 ILE 84 HD1 ILE 84 10.144 -10.832 2.895 631 3HD1 ILE 84 HD1 ILE 84 11.769 -11.078 3.534 632 H GLN 85 HN GLN 85 9.476 -7.096 4.592 633 HA GLN 85 HA GLN 85 11.910 -6.944 6.142 634 1HB GLN 85 HB1 GLN 85 10.123 -4.643 5.816 635 2HB GLN 85 HB2 GLN 85 10.410 -5.072 7.497 636 1HG GLN 85 HG2 GLN 85 12.896 -5.081 6.859 637 2HG GLN 85 HG1 GLN 85 12.379 -4.209 5.416 638 1HE2 GLN 85 HE2 GLN 85 13.736 -2.499 6.235 639 2HE2 GLN 85 HE2 GLN 85 13.113 -1.412 7.424 640 H GLN 86 HN GLN 86 11.566 -7.482 8.393 641 HA GLN 86 HA GLN 86 8.918 -8.613 8.980 642 1HB GLN 86 HB1 GLN 86 10.968 -10.222 8.269 643 2HB GLN 86 HB2 GLN 86 11.254 -10.119 10.002 644 1HG GLN 86 HG2 GLN 86 8.590 -10.608 9.945 645 2HG GLN 86 HG1 GLN 86 9.130 -11.484 8.514 646 1HE2 GLN 86 HE2 GLN 86 11.090 -12.881 8.883 647 2HE2 GLN 86 HE2 GLN 86 11.135 -13.787 10.354 648 H ASP 87 HN ASP 87 8.433 -8.845 11.238 649 HA ASP 87 HA ASP 87 10.163 -7.210 12.980 650 1HB ASP 87 HB2 ASP 87 7.226 -7.082 12.507 651 2HB ASP 87 HB1 ASP 87 7.794 -6.814 14.153 652 H GLY 88 HN GLY 88 7.201 -9.014 13.692 653 1HA GLY 88 HA1 GLY 88 8.784 -10.953 15.235 654 2HA GLY 88 HA2 GLY 88 7.507 -10.058 16.045 655 HA PRO 89 HA PRO 89 4.865 -13.367 14.734 656 1HB PRO 89 HB1 PRO 89 2.492 -12.378 15.483 657 2HB PRO 89 HB2 PRO 89 3.713 -12.843 16.673 658 1HG PRO 89 HG1 PRO 89 3.001 -10.122 15.648 659 2HG PRO 89 HG2 PRO 89 3.350 -10.635 17.309 660 1HD PRO 89 HD2 PRO 89 5.170 -9.399 15.659 661 2HD PRO 89 HD1 PRO 89 5.612 -10.462 17.010 662 H THR 90 HN THR 90 5.301 -10.658 13.018 663 HA THR 90 HA THR 90 3.454 -11.520 10.933 664 HB THR 90 HB THR 90 2.749 -9.157 10.503 665 HG1 THR 90 HG1 THR 90 3.018 -7.707 12.289 666 1HG2 THR 90 HG2 THR 90 1.399 -10.806 11.925 667 2HG2 THR 90 HG2 THR 90 0.998 -9.091 12.006 668 3HG2 THR 90 HG2 THR 90 1.941 -9.837 13.296 669 H ILE 91 HN ILE 91 3.847 -10.024 8.924 670 HA ILE 91 HA ILE 91 6.637 -9.200 8.705 671 HB ILE 91 HB ILE 91 6.657 -11.560 8.059 672 1HG1 ILE 91 HG1 ILE 91 6.908 -9.874 5.568 673 2HG1 ILE 91 HG1 ILE 91 8.062 -9.780 6.892 674 1HG2 ILE 91 HG2 ILE 91 5.454 -12.167 5.905 675 2HG2 ILE 91 HG2 ILE 91 4.507 -10.699 6.146 676 3HG2 ILE 91 HG2 ILE 91 4.457 -11.986 7.349 677 1HD1 ILE 91 HD1 ILE 91 8.506 -11.315 4.831 678 2HD1 ILE 91 HD1 ILE 91 7.459 -12.436 5.702 679 3HD1 ILE 91 HD1 ILE 91 8.939 -11.843 6.457 680 H ARG 92 HN ARG 92 6.965 -7.576 7.225 681 HA ARG 92 HA ARG 92 4.680 -6.801 5.553 682 1HB ARG 92 HB1 ARG 92 4.398 -5.241 7.223 683 2HB ARG 92 HB2 ARG 92 6.108 -5.205 7.628 684 1HG ARG 92 HG2 ARG 92 6.251 -4.134 5.200 685 2HG ARG 92 HG1 ARG 92 4.602 -3.658 5.609 686 1HD ARG 92 HD2 ARG 92 6.985 -3.162 7.383 687 2HD ARG 92 HD1 ARG 92 6.370 -1.989 6.220 688 HE ARG 92 HE ARG 92 4.937 -2.940 8.607 689 1HH1 ARG 92 HH1 ARG 92 5.386 -0.626 6.041 690 2HH1 ARG 92 HH1 ARG 92 4.248 0.507 6.690 691 1HH2 ARG 92 HH2 ARG 92 3.437 -1.456 9.468 692 2HH2 ARG 92 HH2 ARG 92 3.140 0.035 8.639 693 H TYR 93 HN TYR 93 5.184 -6.281 3.518 694 HA TYR 93 HA TYR 93 8.003 -5.735 2.868 695 1HB TYR 93 HB2 TYR 93 6.579 -6.727 0.583 696 2HB TYR 93 HB1 TYR 93 7.995 -7.403 1.375 697 HD1 TYR 93 HD1 TYR 93 7.578 -8.905 3.437 698 HD2 TYR 93 HD2 TYR 93 4.564 -7.885 0.613 699 HE1 TYR 93 HE1 TYR 93 6.252 -10.846 4.158 700 HE2 TYR 93 HE2 TYR 93 3.230 -9.822 1.329 701 HH TYR 93 HH TYR 93 3.561 -11.985 2.418 702 H LEU 94 HN LEU 94 8.243 -4.495 0.790 703 HA LEU 94 HA LEU 94 5.964 -2.870 0.018 704 1HB LEU 94 HB2 LEU 94 7.451 -0.772 0.440 705 2HB LEU 94 HB1 LEU 94 6.508 -1.455 1.749 706 HG LEU 94 HG LEU 94 9.284 -2.456 1.475 707 1HD1 LEU 94 HD1 LEU 94 9.707 -0.263 3.021 708 2HD1 LEU 94 HD1 LEU 94 8.632 0.387 1.783 709 3HD1 LEU 94 HD1 LEU 94 10.145 -0.390 1.318 710 1HD2 LEU 94 HD2 LEU 94 9.081 -2.877 3.693 711 2HD2 LEU 94 HD2 LEU 94 7.364 -2.843 3.286 712 3HD2 LEU 94 HD2 LEU 94 8.132 -1.422 3.997 713 H ILE 95 HN ILE 95 6.406 -1.464 -1.793 714 HA ILE 95 HA ILE 95 8.853 -2.123 -3.277 715 HB ILE 95 HB ILE 95 7.831 -2.966 -5.095 716 1HG1 ILE 95 HG1 ILE 95 5.229 -2.228 -5.431 717 2HG1 ILE 95 HG1 ILE 95 5.863 -0.807 -4.606 718 1HG2 ILE 95 HG2 ILE 95 5.603 -4.092 -4.498 719 2HG2 ILE 95 HG2 ILE 95 5.831 -3.386 -2.899 720 3HG2 ILE 95 HG2 ILE 95 7.027 -4.510 -3.545 721 1HD1 ILE 95 HD1 ILE 95 6.146 -0.281 -6.829 722 2HD1 ILE 95 HD1 ILE 95 6.607 -1.932 -7.269 723 3HD1 ILE 95 HD1 ILE 95 7.735 -0.907 -6.378 724 H GLN 96 HN GLN 96 9.240 -0.629 -5.115 725 HA GLN 96 HA GLN 96 7.855 1.906 -5.066 726 1HB GLN 96 HB1 GLN 96 9.899 3.227 -4.606 727 2HB GLN 96 HB2 GLN 96 9.397 2.253 -3.230 728 1HG GLN 96 HG1 GLN 96 11.255 0.992 -3.275 729 2HG GLN 96 HG2 GLN 96 11.332 0.977 -5.038 730 1HE2 GLN 96 HE2 GLN 96 12.210 2.841 -6.100 731 2HE2 GLN 96 HE2 GLN 96 13.371 3.833 -5.292 732 H LYS 97 HN LYS 97 8.479 3.307 -6.824 733 HA LYS 97 HA LYS 97 10.046 1.947 -8.919 734 1HB LYS 97 HB1 LYS 97 7.925 1.813 -9.818 735 2HB LYS 97 HB2 LYS 97 7.382 3.288 -9.033 736 1HG LYS 97 HG1 LYS 97 7.451 3.873 -11.267 737 2HG LYS 97 HG2 LYS 97 8.987 4.486 -10.652 738 1HD LYS 97 HD2 LYS 97 9.717 1.993 -11.381 739 2HD LYS 97 HD1 LYS 97 8.439 2.306 -12.558 740 1HE LYS 97 HE1 LYS 97 10.072 4.630 -12.348 741 2HE LYS 97 HE2 LYS 97 11.119 3.229 -12.576 742 1HZ LYS 97 HZ1 LYS 97 10.588 3.236 -14.708 743 2HZ LYS 97 HZ2 LYS 97 9.555 4.556 -14.485 744 3HZ LYS 97 HZ3 LYS 97 8.960 2.981 -14.328 Start of MODEL 14 1 1H MET 1 HT1 MET 1 -23.573 22.006 18.036 2 2H MET 1 HT2 MET 1 -23.724 21.996 19.745 3 3H MET 1 HT3 MET 1 -22.654 23.102 18.985 4 HA MET 1 HA MET 1 -24.407 24.413 19.455 5 1HB MET 1 HB2 MET 1 -24.661 23.218 16.704 6 2HB MET 1 HB1 MET 1 -25.702 24.538 17.217 7 1HG MET 1 HG2 MET 1 -24.025 25.689 16.184 8 2HG MET 1 HG1 MET 1 -23.444 25.686 17.847 9 1HE MET 1 HE1 MET 1 -23.319 24.502 14.404 10 2HE MET 1 HE2 MET 1 -22.911 22.819 14.738 11 3HE MET 1 HE3 MET 1 -21.673 23.926 14.145 12 H GLY 2 HN GLY 2 -25.282 21.129 18.956 13 1HA GLY 2 HA2 GLY 2 -28.000 21.719 19.958 14 2HA GLY 2 HA1 GLY 2 -27.682 20.450 18.783 15 H SER 3 HN SER 3 -28.639 18.912 20.180 16 HA SER 3 HA SER 3 -27.070 18.291 22.592 17 1HB SER 3 HB2 SER 3 -29.065 17.027 23.349 18 2HB SER 3 HB1 SER 3 -29.427 18.729 23.064 19 HG SER 3 HG SER 3 -30.984 17.893 21.905 20 H SER 4 HN SER 4 -27.019 17.479 19.522 21 HA SER 4 HA SER 4 -26.964 14.576 19.860 22 1HB SER 4 HB2 SER 4 -26.670 14.527 17.396 23 2HB SER 4 HB1 SER 4 -28.110 15.424 17.878 24 HG SER 4 HG SER 4 -25.785 16.907 17.633 25 H HIS 5 HN HIS 5 -25.128 13.319 19.324 26 HA HIS 5 HA HIS 5 -22.583 14.789 19.220 27 1HB HIS 5 HB2 HIS 5 -23.484 13.412 21.449 28 2HB HIS 5 HB1 HIS 5 -22.418 12.253 20.662 29 HD2 HIS 5 HD2 HIS 5 -20.675 12.660 22.873 30 HE1 HIS 5 HE1 HIS 5 -19.462 16.480 21.512 31 HE2 HIS 5 HE2 HIS 5 -18.962 14.592 23.130 32 H HIS 6 HN HIS 6 -21.860 14.358 17.229 33 HA HIS 6 HA HIS 6 -21.654 11.534 16.436 34 1HB HIS 6 HB2 HIS 6 -21.986 12.422 14.031 35 2HB HIS 6 HB1 HIS 6 -23.409 12.241 15.054 36 HD2 HIS 6 HD2 HIS 6 -24.810 14.521 15.572 37 HE1 HIS 6 HE1 HIS 6 -22.179 17.135 13.528 38 HE2 HIS 6 HE2 HIS 6 -24.423 16.933 14.695 39 H HIS 7 HN HIS 7 -20.153 11.445 14.371 40 HA HIS 7 HA HIS 7 -17.606 12.413 15.230 41 1HB HIS 7 HB2 HIS 7 -18.462 10.316 13.664 42 2HB HIS 7 HB1 HIS 7 -17.755 11.409 12.479 43 HD2 HIS 7 HD2 HIS 7 -15.575 9.749 12.073 44 HE1 HIS 7 HE1 HIS 7 -14.027 10.223 15.984 45 HE2 HIS 7 HE2 HIS 7 -13.560 9.335 13.655 46 H HIS 8 HN HIS 8 -16.110 13.421 13.501 47 HA HIS 8 HA HIS 8 -17.544 15.682 12.270 48 1HB HIS 8 HB2 HIS 8 -15.312 16.885 12.528 49 2HB HIS 8 HB1 HIS 8 -16.198 16.561 14.013 50 HD2 HIS 8 HD2 HIS 8 -14.102 16.318 15.715 51 HE1 HIS 8 HE1 HIS 8 -12.108 13.256 13.576 52 HE2 HIS 8 HE2 HIS 8 -12.144 14.614 15.719 53 H HIS 9 HN HIS 9 -17.329 13.349 10.835 54 HA HIS 9 HA HIS 9 -15.040 13.137 9.213 55 1HB HIS 9 HB2 HIS 9 -17.080 11.520 9.543 56 2HB HIS 9 HB1 HIS 9 -17.763 12.410 8.187 57 HD2 HIS 9 HD2 HIS 9 -16.633 9.196 8.176 58 HE1 HIS 9 HE1 HIS 9 -13.999 10.872 5.318 59 HE2 HIS 9 HE2 HIS 9 -14.973 8.720 6.240 60 H HIS 10 HN HIS 10 -18.244 14.252 8.121 61 HA HIS 10 HA HIS 10 -16.864 16.125 6.316 62 1HB HIS 10 HB2 HIS 10 -19.559 14.782 6.015 63 2HB HIS 10 HB1 HIS 10 -18.912 15.986 4.904 64 HD2 HIS 10 HD2 HIS 10 -16.488 15.114 3.566 65 HE1 HIS 10 HE1 HIS 10 -17.527 11.040 4.067 66 HE2 HIS 10 HE2 HIS 10 -16.014 12.666 2.842 67 H SER 11 HN SER 11 -17.082 17.123 8.747 68 HA SER 11 HA SER 11 -19.540 18.395 9.357 69 1HB SER 11 HB2 SER 11 -17.823 19.927 10.706 70 2HB SER 11 HB1 SER 11 -18.216 18.291 11.234 71 HG SER 11 HG SER 11 -16.167 18.425 9.409 72 H SER 12 HN SER 12 -16.502 20.072 8.568 73 HA SER 12 HA SER 12 -18.083 21.980 6.975 74 1HB SER 12 HB2 SER 12 -16.530 22.503 9.221 75 2HB SER 12 HB1 SER 12 -15.495 22.979 7.874 76 HG SER 12 HG SER 12 -17.495 24.116 7.115 77 H GLY 13 HN GLY 13 -17.757 21.666 4.877 78 1HA GLY 13 HA2 GLY 13 -15.063 20.854 3.984 79 2HA GLY 13 HA1 GLY 13 -16.550 20.484 3.126 80 H LEU 14 HN LEU 14 -15.912 23.620 4.534 81 HA LEU 14 HA LEU 14 -16.188 24.846 1.926 82 1HB LEU 14 HB1 LEU 14 -16.980 25.593 4.419 83 2HB LEU 14 HB2 LEU 14 -15.518 26.543 4.239 84 HG LEU 14 HG LEU 14 -16.834 26.974 1.849 85 1HD1 LEU 14 HD2 LEU 14 -18.772 26.294 3.944 86 2HD1 LEU 14 HD2 LEU 14 -18.954 26.325 2.190 87 3HD1 LEU 14 HD2 LEU 14 -19.075 27.821 3.115 88 1HD2 LEU 14 HD1 LEU 14 -17.027 28.650 4.344 89 2HD2 LEU 14 HD1 LEU 14 -17.164 29.205 2.677 90 3HD2 LEU 14 HD1 LEU 14 -15.622 28.595 3.279 91 H VAL 15 HN VAL 15 -13.718 24.534 4.435 92 HA VAL 15 HA VAL 15 -11.791 26.025 2.857 93 HB VAL 15 HB VAL 15 -11.175 24.536 5.397 94 1HG1 VAL 15 HG2 VAL 15 -9.215 25.622 5.373 95 2HG1 VAL 15 HG2 VAL 15 -9.952 27.139 4.854 96 3HG1 VAL 15 HG2 VAL 15 -9.562 25.896 3.666 97 1HG2 VAL 15 HG1 VAL 15 -12.061 26.159 6.727 98 2HG2 VAL 15 HG1 VAL 15 -13.208 26.238 5.390 99 3HG2 VAL 15 HG1 VAL 15 -11.898 27.413 5.499 100 HA PRO 16 HA PRO 16 -9.730 21.693 2.653 101 1HB PRO 16 HB1 PRO 16 -11.063 19.517 3.496 102 2HB PRO 16 HB2 PRO 16 -10.138 20.532 4.609 103 1HG PRO 16 HG2 PRO 16 -13.088 20.485 4.090 104 2HG PRO 16 HG1 PRO 16 -12.227 20.588 5.636 105 1HD PRO 16 HD1 PRO 16 -13.299 22.752 4.362 106 2HD PRO 16 HD2 PRO 16 -11.891 22.848 5.438 107 H ARG 17 HN ARG 17 -9.872 21.690 0.466 108 HA ARG 17 HA ARG 17 -12.344 21.025 -0.879 109 1HB ARG 17 HB1 ARG 17 -10.102 22.534 -1.538 110 2HB ARG 17 HB2 ARG 17 -9.977 21.115 -2.571 111 1HG ARG 17 HG2 ARG 17 -11.750 21.703 -3.823 112 2HG ARG 17 HG1 ARG 17 -12.640 22.361 -2.447 113 1HD ARG 17 HD1 ARG 17 -10.742 24.198 -2.560 114 2HD ARG 17 HD2 ARG 17 -10.663 23.671 -4.242 115 HE ARG 17 HE ARG 17 -13.320 24.278 -3.297 116 1HH1 ARG 17 HH1 ARG 17 -10.430 25.519 -4.798 117 2HH1 ARG 17 HH1 ARG 17 -11.237 26.854 -5.549 118 1HH2 ARG 17 HH2 ARG 17 -14.392 26.033 -4.282 119 2HH2 ARG 17 HH2 ARG 17 -13.490 27.147 -5.254 120 H GLY 18 HN GLY 18 -12.955 19.037 -1.393 121 1HA GLY 18 HA2 GLY 18 -11.079 16.835 -1.104 122 2HA GLY 18 HA1 GLY 18 -12.812 16.704 -1.359 123 H SER 19 HN SER 19 -9.760 17.464 -2.973 124 HA SER 19 HA SER 19 -11.007 16.846 -5.557 125 1HB SER 19 HB2 SER 19 -8.219 17.717 -5.646 126 2HB SER 19 HB1 SER 19 -9.629 18.373 -6.478 127 HG SER 19 HG SER 19 -8.620 19.002 -3.925 128 H HIS 20 HN HIS 20 -10.495 14.732 -3.743 129 HA HIS 20 HA HIS 20 -8.138 13.392 -4.855 130 1HB HIS 20 HB2 HIS 20 -8.834 11.637 -3.047 131 2HB HIS 20 HB1 HIS 20 -8.053 13.134 -2.548 132 HD2 HIS 20 HD2 HIS 20 -9.607 14.882 -1.076 133 HE1 HIS 20 HE1 HIS 20 -12.949 12.297 -0.828 134 HE2 HIS 20 HE2 HIS 20 -11.913 14.446 0.032 135 H MET 21 HN MET 21 -9.273 13.180 -6.932 136 HA MET 21 HA MET 21 -11.241 10.988 -6.925 137 1HB MET 21 HB2 MET 21 -10.874 12.483 -9.431 138 2HB MET 21 HB1 MET 21 -12.354 11.986 -8.622 139 1HG MET 21 HG2 MET 21 -11.614 13.900 -6.937 140 2HG MET 21 HG1 MET 21 -10.810 14.499 -8.387 141 1HE MET 21 HE1 MET 21 -14.160 14.195 -6.464 142 2HE MET 21 HE2 MET 21 -14.177 12.734 -7.453 143 3HE MET 21 HE3 MET 21 -15.340 14.023 -7.764 144 H LYS 22 HN LYS 22 -8.636 12.301 -8.977 145 HA LYS 22 HA LYS 22 -8.050 9.563 -9.862 146 1HB LYS 22 HB2 LYS 22 -6.809 11.973 -11.125 147 2HB LYS 22 HB1 LYS 22 -7.230 10.427 -11.848 148 1HG LYS 22 HG2 LYS 22 -9.682 11.270 -11.252 149 2HG LYS 22 HG1 LYS 22 -8.888 12.837 -11.413 150 1HD LYS 22 HD2 LYS 22 -8.022 12.067 -13.637 151 2HD LYS 22 HD1 LYS 22 -9.051 10.643 -13.472 152 1HE LYS 22 HE2 LYS 22 -10.916 11.782 -13.973 153 2HE LYS 22 HE1 LYS 22 -10.436 13.178 -13.007 154 1HZ LYS 22 HZ1 LYS 22 -10.292 12.831 -15.804 155 2HZ LYS 22 HZ2 LYS 22 -8.737 13.100 -15.195 156 3HZ LYS 22 HZ3 LYS 22 -9.970 14.217 -14.889 157 H ASN 23 HN ASN 23 -6.316 8.559 -9.100 158 HA ASN 23 HA ASN 23 -4.433 9.998 -7.437 159 1HB ASN 23 HB1 ASN 23 -5.468 7.429 -7.393 160 2HB ASN 23 HB2 ASN 23 -3.817 7.190 -7.957 161 1HD2 ASN 23 HD2 ASN 23 -2.514 9.205 -6.609 162 2HD2 ASN 23 HD2 ASN 23 -2.560 8.879 -4.914 163 H ILE 24 HN ILE 24 -2.222 10.161 -7.783 164 HA ILE 24 HA ILE 24 -1.397 9.811 -10.584 165 HB ILE 24 HB ILE 24 0.219 11.445 -8.693 166 1HG1 ILE 24 HG1 ILE 24 -2.100 12.168 -8.255 167 2HG1 ILE 24 HG1 ILE 24 -1.174 13.421 -9.075 168 1HG2 ILE 24 HG2 ILE 24 -0.521 12.138 -11.506 169 2HG2 ILE 24 HG2 ILE 24 0.688 10.897 -11.181 170 3HG2 ILE 24 HG2 ILE 24 0.935 12.543 -10.599 171 1HD1 ILE 24 HD1 ILE 24 -3.400 13.299 -9.982 172 2HD1 ILE 24 HD1 ILE 24 -3.194 11.583 -10.333 173 3HD1 ILE 24 HD1 ILE 24 -2.231 12.782 -11.196 174 H VAL 25 HN VAL 25 -0.689 8.922 -7.306 175 HA VAL 25 HA VAL 25 1.571 7.299 -8.276 176 HB VAL 25 HB VAL 25 2.528 7.480 -5.962 177 1HG1 VAL 25 HG2 VAL 25 3.341 9.861 -6.316 178 2HG1 VAL 25 HG2 VAL 25 2.280 9.902 -7.725 179 3HG1 VAL 25 HG2 VAL 25 3.597 8.731 -7.646 180 1HG2 VAL 25 HG1 VAL 25 1.558 8.659 -4.329 181 2HG2 VAL 25 HG1 VAL 25 0.103 8.589 -5.324 182 3HG2 VAL 25 HG1 VAL 25 1.162 9.997 -5.407 183 HA PRO 26 HA PRO 26 -0.710 3.739 -7.000 184 1HB PRO 26 HB2 PRO 26 1.971 2.689 -6.236 185 2HB PRO 26 HB1 PRO 26 0.729 1.970 -7.267 186 1HG PRO 26 HG2 PRO 26 2.899 3.060 -8.342 187 2HG PRO 26 HG1 PRO 26 1.310 3.276 -9.100 188 1HD PRO 26 HD2 PRO 26 2.904 5.197 -7.454 189 2HD PRO 26 HD1 PRO 26 1.897 5.501 -8.885 190 H ASP 27 HN ASP 27 1.928 3.092 -4.822 191 HA ASP 27 HA ASP 27 2.015 2.857 -2.571 192 1HB ASP 27 HB2 ASP 27 1.831 5.394 -2.829 193 2HB ASP 27 HB1 ASP 27 0.128 5.208 -2.413 194 H TYR 28 HN TYR 28 0.767 0.852 -3.013 195 HA TYR 28 HA TYR 28 -2.028 1.101 -2.051 196 1HB TYR 28 HB1 TYR 28 -0.792 -0.525 -4.142 197 2HB TYR 28 HB2 TYR 28 -1.831 -1.452 -3.065 198 HD1 TYR 28 HD1 TYR 28 -4.230 -0.892 -2.871 199 HD2 TYR 28 HD2 TYR 28 -1.706 1.067 -5.681 200 HE1 TYR 28 HE1 TYR 28 -6.213 -0.088 -4.082 201 HE2 TYR 28 HE2 TYR 28 -3.682 1.877 -6.899 202 HH TYR 28 HH TYR 28 -6.949 1.324 -5.681 203 H ARG 29 HN ARG 29 -2.781 -0.117 -0.368 204 HA ARG 29 HA ARG 29 -0.698 -1.489 1.179 205 1HB ARG 29 HB1 ARG 29 -2.946 0.291 1.902 206 2HB ARG 29 HB2 ARG 29 -2.633 -1.042 3.006 207 1HG ARG 29 HG2 ARG 29 -0.663 -0.181 3.710 208 2HG ARG 29 HG1 ARG 29 -0.298 0.555 2.148 209 1HD ARG 29 HD2 ARG 29 -0.805 2.140 4.064 210 2HD ARG 29 HD1 ARG 29 -1.701 2.394 2.567 211 HE ARG 29 HE ARG 29 -3.643 1.583 3.617 212 1HH1 ARG 29 HH2 ARG 29 -0.895 1.657 5.761 213 2HH1 ARG 29 HH2 ARG 29 -1.851 1.526 7.198 214 1HH2 ARG 29 HH1 ARG 29 -4.908 1.409 5.507 215 2HH2 ARG 29 HH1 ARG 29 -4.131 1.385 7.054 216 H LEU 30 HN LEU 30 -0.939 -3.494 1.930 217 HA LEU 30 HA LEU 30 -3.511 -4.864 1.529 218 1HB LEU 30 HB1 LEU 30 -1.609 -5.448 -0.136 219 2HB LEU 30 HB2 LEU 30 -0.873 -6.285 1.214 220 HG LEU 30 HG LEU 30 -2.250 -7.685 -0.426 221 1HD1 LEU 30 HD2 LEU 30 -3.489 -8.766 1.677 222 2HD1 LEU 30 HD2 LEU 30 -2.386 -7.694 2.540 223 3HD1 LEU 30 HD2 LEU 30 -1.748 -8.901 1.425 224 1HD2 LEU 30 HD1 LEU 30 -4.529 -6.392 1.088 225 2HD2 LEU 30 HD1 LEU 30 -4.656 -7.721 -0.066 226 3HD2 LEU 30 HD1 LEU 30 -4.142 -6.125 -0.612 227 H ASP 31 HN ASP 31 -4.016 -4.524 3.710 228 HA ASP 31 HA ASP 31 -2.174 -5.627 5.693 229 1HB ASP 31 HB1 ASP 31 -4.519 -4.423 6.850 230 2HB ASP 31 HB2 ASP 31 -2.834 -3.927 6.987 231 H MET 32 HN MET 32 -2.959 -7.780 4.651 232 HA MET 32 HA MET 32 -5.060 -8.803 6.410 233 1HB MET 32 HB1 MET 32 -4.941 -9.222 3.423 234 2HB MET 32 HB2 MET 32 -5.922 -10.207 4.500 235 1HG MET 32 HG1 MET 32 -7.179 -8.244 5.182 236 2HG MET 32 HG2 MET 32 -6.172 -7.227 4.152 237 1HE MET 32 HE1 MET 32 -8.946 -9.453 4.690 238 2HE MET 32 HE2 MET 32 -8.567 -10.663 3.465 239 3HE MET 32 HE3 MET 32 -9.862 -9.499 3.183 240 H VAL 33 HN VAL 33 -4.203 -10.970 3.996 241 HA VAL 33 HA VAL 33 -2.005 -12.127 5.557 242 HB VAL 33 HB VAL 33 -4.108 -13.928 4.402 243 1HG1 VAL 33 HG1 VAL 33 -1.735 -14.575 5.296 244 2HG1 VAL 33 HG1 VAL 33 -3.136 -15.580 5.668 245 3HG1 VAL 33 HG1 VAL 33 -2.519 -14.447 6.870 246 1HG2 VAL 33 HG2 VAL 33 -4.716 -12.072 6.368 247 2HG2 VAL 33 HG2 VAL 33 -4.381 -13.555 7.261 248 3HG2 VAL 33 HG2 VAL 33 -5.613 -13.544 5.997 249 H GLY 34 HN GLY 34 -0.661 -13.602 4.340 250 1HA GLY 34 HA2 GLY 34 -0.391 -12.777 1.585 251 2HA GLY 34 HA1 GLY 34 0.672 -13.874 2.453 252 H GLU 35 HN GLU 35 -2.611 -13.700 1.094 253 HA GLU 35 HA GLU 35 -2.713 -16.580 0.800 254 1HB GLU 35 HB1 GLU 35 -4.778 -15.702 1.446 255 2HB GLU 35 HB2 GLU 35 -4.640 -14.322 0.367 256 1HG GLU 35 HG2 GLU 35 -5.256 -15.558 -1.497 257 2HG GLU 35 HG1 GLU 35 -4.909 -17.098 -0.712 258 HA PRO 36 HA PRO 36 -1.107 -16.593 -3.327 259 1HB PRO 36 HB1 PRO 36 -2.086 -18.979 -4.176 260 2HB PRO 36 HB2 PRO 36 -0.735 -18.839 -3.048 261 1HG PRO 36 HG1 PRO 36 -3.628 -19.371 -2.482 262 2HG PRO 36 HG2 PRO 36 -2.192 -20.152 -1.792 263 1HD PRO 36 HD1 PRO 36 -3.555 -18.230 -0.476 264 2HD PRO 36 HD2 PRO 36 -1.797 -18.414 -0.323 265 H CYS 37 HN CYS 37 -4.525 -16.956 -2.698 266 HA CYS 37 HA CYS 37 -5.537 -17.002 -5.290 267 1HB CYS 37 HB2 CYS 37 -6.629 -15.928 -2.700 268 2HB CYS 37 HB1 CYS 37 -7.546 -15.800 -4.196 269 HG CYS 37 HG CYS 37 -6.681 -18.646 -3.464 270 HA PRO 38 HA PRO 38 -4.611 -12.951 -6.820 271 1HB PRO 38 HB1 PRO 38 -6.354 -12.799 -8.862 272 2HB PRO 38 HB2 PRO 38 -4.970 -13.897 -8.895 273 1HG PRO 38 HG1 PRO 38 -7.838 -14.480 -8.257 274 2HG PRO 38 HG2 PRO 38 -6.704 -15.409 -9.254 275 1HD PRO 38 HD2 PRO 38 -7.297 -16.039 -6.663 276 2HD PRO 38 HD1 PRO 38 -5.746 -16.426 -7.434 277 H TYR 39 HN TYR 39 -5.485 -12.038 -4.764 278 HA TYR 39 HA TYR 39 -7.838 -10.396 -5.350 279 1HB TYR 39 HB2 TYR 39 -8.246 -12.473 -3.788 280 2HB TYR 39 HB1 TYR 39 -7.503 -11.444 -2.568 281 HD1 TYR 39 HD1 TYR 39 -10.417 -11.920 -4.732 282 HD2 TYR 39 HD2 TYR 39 -8.632 -9.451 -1.764 283 HE1 TYR 39 HE1 TYR 39 -12.579 -10.807 -4.367 284 HE2 TYR 39 HE2 TYR 39 -10.788 -8.331 -1.390 285 HH TYR 39 HH TYR 39 -13.579 -8.990 -3.423 286 HA PRO 40 HA PRO 40 -5.162 -8.179 -1.926 287 1HB PRO 40 HB2 PRO 40 -2.635 -9.183 -1.595 288 2HB PRO 40 HB1 PRO 40 -4.009 -9.613 -0.572 289 1HG PRO 40 HG2 PRO 40 -2.841 -11.092 -2.899 290 2HG PRO 40 HG1 PRO 40 -3.385 -11.721 -1.332 291 1HD PRO 40 HD2 PRO 40 -4.903 -11.933 -3.532 292 2HD PRO 40 HD1 PRO 40 -5.621 -11.637 -1.935 293 H ALA 41 HN ALA 41 -2.324 -9.446 -3.527 294 HA ALA 41 HA ALA 41 -1.437 -6.997 -4.513 295 1HB ALA 41 HB1 ALA 41 0.308 -8.180 -5.548 296 2HB ALA 41 HB2 ALA 41 -0.668 -9.642 -5.701 297 3HB ALA 41 HB3 ALA 41 -0.112 -9.116 -4.113 298 H VAL 42 HN VAL 42 -4.187 -8.159 -5.554 299 HA VAL 42 HA VAL 42 -4.079 -8.419 -8.317 300 HB VAL 42 HB VAL 42 -6.119 -8.657 -6.790 301 1HG1 VAL 42 HG2 VAL 42 -6.164 -5.683 -7.241 302 2HG1 VAL 42 HG2 VAL 42 -6.173 -6.548 -5.703 303 3HG1 VAL 42 HG2 VAL 42 -7.582 -6.616 -6.763 304 1HG2 VAL 42 HG1 VAL 42 -6.878 -9.080 -8.849 305 2HG2 VAL 42 HG1 VAL 42 -5.929 -7.774 -9.559 306 3HG2 VAL 42 HG1 VAL 42 -7.495 -7.428 -8.826 307 H ALA 43 HN ALA 43 -3.822 -5.617 -6.278 308 HA ALA 43 HA ALA 43 -4.117 -3.665 -8.361 309 1HB ALA 43 HB1 ALA 43 -2.698 -3.063 -5.811 310 2HB ALA 43 HB2 ALA 43 -4.422 -3.428 -5.771 311 3HB ALA 43 HB3 ALA 43 -3.831 -2.074 -6.733 312 H THR 44 HN THR 44 -1.405 -5.165 -6.652 313 HA THR 44 HA THR 44 0.687 -3.676 -7.688 314 HB THR 44 HB THR 44 0.364 -6.193 -6.305 315 HG1 THR 44 HG1 THR 44 1.378 -4.134 -5.643 316 1HG2 THR 44 HG2 THR 44 2.721 -6.973 -6.918 317 2HG2 THR 44 HG2 THR 44 2.463 -6.099 -8.428 318 3HG2 THR 44 HG2 THR 44 1.385 -7.422 -7.980 319 H LEU 45 HN LEU 45 -0.850 -6.581 -9.035 320 HA LEU 45 HA LEU 45 0.872 -6.858 -11.245 321 1HB LEU 45 HB1 LEU 45 -1.957 -7.765 -10.754 322 2HB LEU 45 HB2 LEU 45 -1.101 -8.141 -12.235 323 HG LEU 45 HG LEU 45 -0.298 -8.996 -9.451 324 1HD1 LEU 45 HD1 LEU 45 -0.687 -11.146 -11.262 325 2HD1 LEU 45 HD1 LEU 45 -2.111 -10.106 -11.325 326 3HD1 LEU 45 HD1 LEU 45 -1.575 -10.774 -9.784 327 1HD2 LEU 45 HD2 LEU 45 1.737 -8.772 -10.532 328 2HD2 LEU 45 HD2 LEU 45 1.068 -9.220 -12.102 329 3HD2 LEU 45 HD2 LEU 45 1.309 -10.452 -10.862 330 H GLU 46 HN GLU 46 -2.386 -5.410 -11.044 331 HA GLU 46 HA GLU 46 -2.366 -4.456 -13.717 332 1HB GLU 46 HB1 GLU 46 -4.344 -3.176 -13.083 333 2HB GLU 46 HB2 GLU 46 -4.448 -4.820 -12.467 334 1HG GLU 46 HG2 GLU 46 -4.016 -4.134 -10.262 335 2HG GLU 46 HG1 GLU 46 -3.470 -2.540 -10.782 336 H ALA 47 HN ALA 47 -0.663 -3.478 -11.018 337 HA ALA 47 HA ALA 47 -0.624 -0.644 -11.488 338 1HB ALA 47 HB1 ALA 47 1.604 -1.931 -10.029 339 2HB ALA 47 HB2 ALA 47 -0.010 -2.089 -9.336 340 3HB ALA 47 HB3 ALA 47 0.670 -0.489 -9.633 341 H MET 48 HN MET 48 1.388 -3.407 -12.336 342 HA MET 48 HA MET 48 3.639 -2.186 -13.296 343 1HB MET 48 HB1 MET 48 4.143 -4.312 -13.696 344 2HB MET 48 HB2 MET 48 2.461 -4.762 -13.468 345 1HG MET 48 HG2 MET 48 2.005 -4.707 -15.737 346 2HG MET 48 HG1 MET 48 3.425 -3.727 -16.102 347 1HE MET 48 HE1 MET 48 3.946 -7.232 -17.917 348 2HE MET 48 HE2 MET 48 3.949 -5.489 -18.181 349 3HE MET 48 HE3 MET 48 2.466 -6.302 -17.680 350 HA PRO 49 HA PRO 49 1.553 -1.524 -17.637 351 1HB PRO 49 HB1 PRO 49 -1.308 -1.364 -16.975 352 2HB PRO 49 HB2 PRO 49 -0.509 -2.231 -18.289 353 1HG PRO 49 HG1 PRO 49 -1.607 -3.523 -16.206 354 2HG PRO 49 HG2 PRO 49 -0.132 -4.107 -17.000 355 1HD PRO 49 HD1 PRO 49 -0.428 -2.593 -14.433 356 2HD PRO 49 HD2 PRO 49 0.633 -3.964 -14.813 357 H GLN 50 HN GLN 50 -0.627 -0.319 -15.084 358 HA GLN 50 HA GLN 50 -0.614 2.353 -16.095 359 1HB GLN 50 HB2 GLN 50 -2.242 0.919 -14.412 360 2HB GLN 50 HB1 GLN 50 -1.421 2.002 -13.297 361 1HG GLN 50 HG1 GLN 50 -2.154 3.633 -15.412 362 2HG GLN 50 HG2 GLN 50 -3.527 2.548 -15.198 363 1HE2 GLN 50 HE2 GLN 50 -4.441 4.756 -14.667 364 2HE2 GLN 50 HE2 GLN 50 -4.402 5.226 -13.005 365 H LEU 51 HN LEU 51 1.978 0.989 -15.105 366 HA LEU 51 HA LEU 51 2.978 2.093 -12.815 367 1HB LEU 51 HB2 LEU 51 5.033 1.442 -13.547 368 2HB LEU 51 HB1 LEU 51 4.033 0.535 -14.659 369 HG LEU 51 HG LEU 51 4.506 3.017 -15.901 370 1HD1 LEU 51 HD1 LEU 51 6.613 2.415 -14.087 371 2HD1 LEU 51 HD1 LEU 51 6.500 3.733 -15.254 372 3HD1 LEU 51 HD1 LEU 51 7.205 2.188 -15.733 373 1HD2 LEU 51 HD2 LEU 51 5.547 0.230 -16.325 374 2HD2 LEU 51 HD2 LEU 51 5.895 1.560 -17.431 375 3HD2 LEU 51 HD2 LEU 51 4.229 1.046 -17.166 376 H LYS 52 HN LYS 52 4.413 3.898 -12.423 377 HA LYS 52 HA LYS 52 4.100 6.160 -14.258 378 1HB LYS 52 HB2 LYS 52 2.861 5.894 -11.649 379 2HB LYS 52 HB1 LYS 52 3.929 7.290 -11.705 380 1HG LYS 52 HG1 LYS 52 1.806 6.764 -13.768 381 2HG LYS 52 HG2 LYS 52 1.530 7.719 -12.310 382 1HD LYS 52 HD2 LYS 52 3.665 9.006 -13.126 383 2HD LYS 52 HD1 LYS 52 3.217 8.332 -14.693 384 1HE LYS 52 HE1 LYS 52 1.216 9.493 -14.767 385 2HE LYS 52 HE2 LYS 52 1.167 9.721 -13.020 386 1HZ LYS 52 HZ1 LYS 52 2.651 11.459 -13.114 387 2HZ LYS 52 HZ2 LYS 52 1.774 11.697 -14.542 388 3HZ LYS 52 HZ3 LYS 52 3.306 10.981 -14.600 389 H LYS 53 HN LYS 53 5.339 8.121 -12.865 390 HA LYS 53 HA LYS 53 8.085 7.159 -12.812 391 1HB LYS 53 HB1 LYS 53 8.604 9.635 -12.629 392 2HB LYS 53 HB2 LYS 53 7.800 9.124 -14.107 393 1HG LYS 53 HG1 LYS 53 6.168 10.571 -13.750 394 2HG LYS 53 HG2 LYS 53 5.818 9.830 -12.187 395 1HD LYS 53 HD1 LYS 53 8.144 11.326 -11.792 396 2HD LYS 53 HD2 LYS 53 7.096 12.346 -12.779 397 1HE LYS 53 HE1 LYS 53 6.181 10.965 -10.267 398 2HE LYS 53 HE2 LYS 53 6.827 12.605 -10.292 399 1HZ LYS 53 HZ1 LYS 53 5.001 12.897 -12.126 400 2HZ LYS 53 HZ2 LYS 53 4.613 13.026 -10.485 401 3HZ LYS 53 HZ3 LYS 53 4.279 11.596 -11.323 402 H GLY 54 HN GLY 54 5.819 7.069 -10.597 403 1HA GLY 54 HA2 GLY 54 7.707 7.308 -8.412 404 2HA GLY 54 HA1 GLY 54 6.379 8.459 -8.357 405 H GLU 55 HN GLU 55 6.823 4.969 -8.957 406 HA GLU 55 HA GLU 55 4.274 4.387 -7.725 407 1HB GLU 55 HB2 GLU 55 4.748 3.005 -9.563 408 2HB GLU 55 HB1 GLU 55 6.406 2.730 -9.052 409 1HG GLU 55 HG2 GLU 55 5.809 0.867 -8.035 410 2HG GLU 55 HG1 GLU 55 4.660 1.749 -7.031 411 H ILE 56 HN ILE 56 3.947 3.129 -5.891 412 HA ILE 56 HA ILE 56 6.130 2.392 -4.168 413 HB ILE 56 HB ILE 56 4.400 4.769 -3.545 414 1HG1 ILE 56 HG1 ILE 56 7.308 4.293 -2.900 415 2HG1 ILE 56 HG1 ILE 56 6.777 4.933 -4.452 416 1HG2 ILE 56 HG2 ILE 56 4.012 3.269 -1.688 417 2HG2 ILE 56 HG2 ILE 56 5.052 4.599 -1.176 418 3HG2 ILE 56 HG2 ILE 56 5.746 3.010 -1.502 419 1HD1 ILE 56 HD1 ILE 56 5.498 6.527 -2.588 420 2HD1 ILE 56 HD1 ILE 56 6.921 6.944 -3.543 421 3HD1 ILE 56 HD1 ILE 56 7.111 6.273 -1.924 422 H LEU 57 HN LEU 57 5.295 1.214 -2.240 423 HA LEU 57 HA LEU 57 2.507 0.630 -2.138 424 1HB LEU 57 HB1 LEU 57 3.077 -0.696 -4.069 425 2HB LEU 57 HB2 LEU 57 4.357 -1.479 -3.190 426 HG LEU 57 HG LEU 57 2.138 -1.977 -1.645 427 1HD1 LEU 57 HD2 LEU 57 1.105 -1.071 -3.970 428 2HD1 LEU 57 HD2 LEU 57 0.296 -2.212 -2.889 429 3HD1 LEU 57 HD2 LEU 57 1.193 -2.808 -4.287 430 1HD2 LEU 57 HD1 LEU 57 3.340 -3.857 -1.804 431 2HD2 LEU 57 HD1 LEU 57 3.936 -3.444 -3.412 432 3HD2 LEU 57 HD1 LEU 57 2.355 -4.200 -3.226 433 H GLU 58 HN GLU 58 1.897 -0.309 -0.290 434 HA GLU 58 HA GLU 58 4.003 -1.109 1.601 435 1HB GLU 58 HB1 GLU 58 1.527 0.082 2.695 436 2HB GLU 58 HB2 GLU 58 3.196 0.294 3.204 437 1HG GLU 58 HG1 GLU 58 3.559 2.046 1.782 438 2HG GLU 58 HG2 GLU 58 2.347 1.508 0.613 439 H VAL 59 HN VAL 59 3.594 -2.952 2.795 440 HA VAL 59 HA VAL 59 0.927 -4.158 2.562 441 HB VAL 59 HB VAL 59 3.433 -5.751 2.040 442 1HG1 VAL 59 HG2 VAL 59 0.548 -6.452 1.533 443 2HG1 VAL 59 HG2 VAL 59 1.444 -6.934 2.973 444 3HG1 VAL 59 HG2 VAL 59 1.951 -7.510 1.385 445 1HG2 VAL 59 HG1 VAL 59 1.427 -4.891 -0.029 446 2HG2 VAL 59 HG1 VAL 59 2.975 -5.696 -0.283 447 3HG2 VAL 59 HG1 VAL 59 2.932 -4.023 0.273 448 H VAL 60 HN VAL 60 0.299 -5.423 4.249 449 HA VAL 60 HA VAL 60 2.210 -6.155 6.317 450 HB VAL 60 HB VAL 60 0.290 -5.274 7.968 451 1HG1 VAL 60 HG2 VAL 60 2.016 -4.129 8.773 452 2HG1 VAL 60 HG2 VAL 60 2.014 -3.044 7.385 453 3HG1 VAL 60 HG2 VAL 60 2.910 -4.560 7.316 454 1HG2 VAL 60 HG1 VAL 60 -0.519 -4.144 5.579 455 2HG2 VAL 60 HG1 VAL 60 0.324 -2.832 6.401 456 3HG2 VAL 60 HG1 VAL 60 -1.024 -3.647 7.194 457 H SER 61 HN SER 61 1.847 -8.291 6.426 458 HA SER 61 HA SER 61 -0.847 -9.209 7.009 459 1HB SER 61 HB2 SER 61 -0.843 -10.895 5.229 460 2HB SER 61 HB1 SER 61 -0.725 -9.275 4.545 461 HG SER 61 HG SER 61 1.731 -10.231 5.035 462 H ASP 62 HN ASP 62 -0.664 -11.813 6.995 463 HA ASP 62 HA ASP 62 1.691 -12.436 8.655 464 1HB ASP 62 HB2 ASP 62 -1.097 -12.665 9.222 465 2HB ASP 62 HB1 ASP 62 -0.393 -14.277 9.194 466 H CYS 63 HN CYS 63 3.030 -13.864 7.794 467 HA CYS 63 HA CYS 63 1.944 -16.035 6.147 468 1HB CYS 63 HB1 CYS 63 2.730 -14.354 4.571 469 2HB CYS 63 HB2 CYS 63 4.285 -14.272 5.394 470 HG CYS 63 HG CYS 63 4.680 -16.778 4.558 471 HA PRO 64 HA PRO 64 4.480 -18.110 9.285 472 1HB PRO 64 HB2 PRO 64 3.598 -20.438 7.659 473 2HB PRO 64 HB1 PRO 64 3.529 -20.195 9.408 474 1HG PRO 64 HG1 PRO 64 1.324 -20.027 7.921 475 2HG PRO 64 HG2 PRO 64 1.591 -18.928 9.288 476 1HD PRO 64 HD1 PRO 64 1.872 -18.416 6.356 477 2HD PRO 64 HD2 PRO 64 1.259 -17.347 7.635 478 H GLN 65 HN GLN 65 4.554 -18.559 5.798 479 HA GLN 65 HA GLN 65 7.200 -19.761 5.895 480 1HB GLN 65 HB2 GLN 65 5.166 -19.278 3.754 481 2HB GLN 65 HB1 GLN 65 6.842 -19.546 3.296 482 1HG GLN 65 HG1 GLN 65 6.326 -21.707 3.308 483 2HG GLN 65 HG2 GLN 65 6.388 -21.581 5.066 484 1HE2 GLN 65 HE2 GLN 65 4.396 -21.201 6.198 485 2HE2 GLN 65 HE2 GLN 65 2.904 -21.753 5.525 486 H SER 66 HN SER 66 8.264 -18.700 3.525 487 HA SER 66 HA SER 66 8.930 -15.977 4.420 488 1HB SER 66 HB1 SER 66 10.753 -17.753 4.339 489 2HB SER 66 HB2 SER 66 10.583 -17.717 2.584 490 HG SER 66 HG SER 66 11.822 -16.037 2.614 491 H ILE 67 HN ILE 67 7.549 -17.811 1.883 492 HA ILE 67 HA ILE 67 8.050 -16.256 -0.364 493 HB ILE 67 HB ILE 67 5.545 -17.785 0.340 494 1HG1 ILE 67 HG1 ILE 67 7.402 -18.807 -1.704 495 2HG1 ILE 67 HG1 ILE 67 8.070 -18.754 -0.075 496 1HG2 ILE 67 HG2 ILE 67 6.321 -16.248 -2.065 497 2HG2 ILE 67 HG2 ILE 67 4.724 -16.578 -1.395 498 3HG2 ILE 67 HG2 ILE 67 5.561 -17.817 -2.330 499 1HD1 ILE 67 HD1 ILE 67 6.547 -20.771 -1.138 500 2HD1 ILE 67 HD1 ILE 67 5.395 -19.874 -0.149 501 3HD1 ILE 67 HD1 ILE 67 6.873 -20.507 0.575 502 H ASN 68 HN ASN 68 7.644 -14.200 -0.772 503 HA ASN 68 HA ASN 68 5.931 -12.624 0.893 504 1HB ASN 68 HB1 ASN 68 6.822 -11.479 -1.682 505 2HB ASN 68 HB2 ASN 68 6.962 -10.830 -0.051 506 1HD2 ASN 68 HD2 ASN 68 8.522 -12.164 1.358 507 2HD2 ASN 68 HD2 ASN 68 10.035 -12.553 0.620 508 H ASN 69 HN ASN 69 3.914 -11.835 0.491 509 HA ASN 69 HA ASN 69 2.328 -13.201 -1.455 510 1HB ASN 69 HB2 ASN 69 1.460 -12.537 0.775 511 2HB ASN 69 HB1 ASN 69 1.572 -10.847 0.290 512 1HD2 ASN 69 HD2 ASN 69 -0.730 -10.899 0.836 513 2HD2 ASN 69 HD2 ASN 69 -1.855 -11.391 -0.379 514 H ILE 70 HN ILE 70 1.899 -9.746 -1.012 515 HA ILE 70 HA ILE 70 1.267 -9.178 -3.617 516 HB ILE 70 HB ILE 70 2.730 -7.244 -1.829 517 1HG1 ILE 70 HG1 ILE 70 0.294 -8.491 -1.251 518 2HG1 ILE 70 HG1 ILE 70 0.913 -7.017 -0.525 519 1HG2 ILE 70 HG2 ILE 70 1.520 -5.547 -3.139 520 2HG2 ILE 70 HG2 ILE 70 0.861 -6.828 -4.159 521 3HG2 ILE 70 HG2 ILE 70 2.600 -6.525 -4.132 522 1HD1 ILE 70 HD1 ILE 70 -1.475 -7.210 -1.706 523 2HD1 ILE 70 HD1 ILE 70 -0.505 -6.694 -3.079 524 3HD1 ILE 70 HD1 ILE 70 -0.547 -5.712 -1.620 525 HA PRO 71 HA PRO 71 5.988 -7.860 -4.342 526 1HB PRO 71 HB2 PRO 71 7.127 -10.009 -2.614 527 2HB PRO 71 HB1 PRO 71 7.764 -8.402 -2.979 528 1HG PRO 71 HG1 PRO 71 6.611 -8.865 -0.644 529 2HG PRO 71 HG2 PRO 71 6.295 -7.348 -1.510 530 1HD PRO 71 HD2 PRO 71 4.565 -9.771 -1.233 531 2HD PRO 71 HD1 PRO 71 4.110 -8.054 -1.244 532 H LEU 72 HN LEU 72 4.995 -11.222 -3.744 533 HA LEU 72 HA LEU 72 6.628 -12.438 -5.673 534 1HB LEU 72 HB1 LEU 72 5.283 -13.631 -3.940 535 2HB LEU 72 HB2 LEU 72 3.844 -13.289 -4.880 536 HG LEU 72 HG LEU 72 5.145 -14.521 -6.792 537 1HD1 LEU 72 HD1 LEU 72 6.905 -14.849 -4.557 538 2HD1 LEU 72 HD1 LEU 72 7.119 -15.359 -6.231 539 3HD1 LEU 72 HD1 LEU 72 6.304 -16.420 -5.083 540 1HD2 LEU 72 HD2 LEU 72 3.865 -15.898 -4.440 541 2HD2 LEU 72 HD2 LEU 72 4.212 -16.678 -5.983 542 3HD2 LEU 72 HD2 LEU 72 3.072 -15.334 -5.911 543 H ASP 73 HN ASP 73 3.430 -10.970 -5.918 544 HA ASP 73 HA ASP 73 2.883 -11.692 -8.576 545 1HB ASP 73 HB2 ASP 73 1.775 -9.880 -6.586 546 2HB ASP 73 HB1 ASP 73 1.656 -9.221 -8.214 547 H ALA 74 HN ALA 74 4.103 -8.566 -7.344 548 HA ALA 74 HA ALA 74 4.612 -7.446 -9.871 549 1HB ALA 74 HB1 ALA 74 4.426 -6.094 -7.857 550 2HB ALA 74 HB2 ALA 74 5.963 -5.796 -8.670 551 3HB ALA 74 HB3 ALA 74 5.910 -6.807 -7.226 552 H ARG 75 HN ARG 75 6.598 -9.433 -7.758 553 HA ARG 75 HA ARG 75 9.036 -9.072 -9.150 554 1HB ARG 75 HB2 ARG 75 8.004 -10.940 -7.083 555 2HB ARG 75 HB1 ARG 75 9.408 -11.469 -8.003 556 1HG ARG 75 HG1 ARG 75 10.312 -9.085 -7.393 557 2HG ARG 75 HG2 ARG 75 9.134 -9.212 -6.085 558 1HD ARG 75 HD2 ARG 75 10.859 -10.199 -5.014 559 2HD ARG 75 HD1 ARG 75 10.292 -11.624 -5.884 560 HE ARG 75 HE ARG 75 12.230 -11.601 -7.083 561 1HH1 ARG 75 HH2 ARG 75 11.766 -8.451 -5.665 562 2HH1 ARG 75 HH2 ARG 75 13.307 -7.851 -6.178 563 1HH2 ARG 75 HH1 ARG 75 14.261 -10.818 -7.762 564 2HH2 ARG 75 HH1 ARG 75 14.725 -9.196 -7.369 565 H ASN 76 HN ASN 76 6.305 -11.207 -9.577 566 HA ASN 76 HA ASN 76 7.448 -13.152 -11.222 567 1HB ASN 76 HB2 ASN 76 5.134 -13.199 -10.227 568 2HB ASN 76 HB1 ASN 76 4.639 -12.061 -11.477 569 1HD2 ASN 76 HD2 ASN 76 3.896 -12.871 -13.301 570 2HD2 ASN 76 HD2 ASN 76 4.105 -14.496 -13.849 571 H HIS 77 HN HIS 77 5.513 -10.344 -12.282 572 HA HIS 77 HA HIS 77 6.359 -10.579 -14.994 573 1HB HIS 77 HB1 HIS 77 5.001 -8.322 -13.506 574 2HB HIS 77 HB2 HIS 77 5.281 -8.326 -15.245 575 HD2 HIS 77 HD2 HIS 77 2.943 -8.868 -16.406 576 HE1 HIS 77 HE1 HIS 77 1.665 -11.876 -13.714 577 HE2 HIS 77 HE2 HIS 77 1.100 -10.603 -15.834 578 H GLY 78 HN GLY 78 7.380 -8.661 -12.234 579 1HA GLY 78 HA1 GLY 78 9.693 -8.063 -12.008 580 2HA GLY 78 HA2 GLY 78 9.778 -7.886 -13.755 581 H TYR 79 HN TYR 79 9.398 -6.300 -10.808 582 HA TYR 79 HA TYR 79 8.413 -3.868 -12.141 583 1HB TYR 79 HB2 TYR 79 7.584 -5.079 -9.755 584 2HB TYR 79 HB1 TYR 79 8.509 -3.667 -9.253 585 HD1 TYR 79 HD1 TYR 79 5.329 -4.790 -10.131 586 HD2 TYR 79 HD2 TYR 79 7.934 -1.470 -10.656 587 HE1 TYR 79 HE1 TYR 79 3.392 -3.353 -10.613 588 HE2 TYR 79 HE2 TYR 79 6.006 -0.024 -11.139 589 HH TYR 79 HH TYR 79 2.978 -0.687 -10.379 590 H THR 80 HN THR 80 9.259 -2.039 -10.177 591 HA THR 80 HA THR 80 12.019 -1.748 -10.970 592 HB THR 80 HB THR 80 10.564 0.084 -9.080 593 HG1 THR 80 HG1 THR 80 10.424 0.592 -11.802 594 1HG2 THR 80 HG2 THR 80 12.975 0.471 -9.640 595 2HG2 THR 80 HG2 THR 80 11.881 1.808 -9.995 596 3HG2 THR 80 HG2 THR 80 12.460 0.772 -11.299 597 H VAL 81 HN VAL 81 10.577 -1.171 -7.768 598 HA VAL 81 HA VAL 81 12.886 -2.583 -6.598 599 HB VAL 81 HB VAL 81 11.312 -0.363 -5.293 600 1HG1 VAL 81 HG1 VAL 81 12.949 -0.387 -3.596 601 2HG1 VAL 81 HG1 VAL 81 14.019 -1.429 -4.533 602 3HG1 VAL 81 HG1 VAL 81 12.520 -2.076 -3.864 603 1HG2 VAL 81 HG2 VAL 81 12.746 1.200 -6.089 604 2HG2 VAL 81 HG2 VAL 81 12.874 0.055 -7.425 605 3HG2 VAL 81 HG2 VAL 81 14.104 0.078 -6.160 606 H LEU 82 HN LEU 82 12.436 -4.367 -5.544 607 HA LEU 82 HA LEU 82 9.828 -4.669 -4.217 608 1HB LEU 82 HB2 LEU 82 11.100 -6.354 -6.263 609 2HB LEU 82 HB1 LEU 82 10.563 -7.242 -4.851 610 HG LEU 82 HG LEU 82 8.857 -7.267 -6.591 611 1HD1 LEU 82 HD1 LEU 82 6.972 -6.422 -5.275 612 2HD1 LEU 82 HD1 LEU 82 8.098 -5.562 -4.226 613 3HD1 LEU 82 HD1 LEU 82 8.118 -7.325 -4.284 614 1HD2 LEU 82 HD2 LEU 82 9.677 -4.711 -7.144 615 2HD2 LEU 82 HD2 LEU 82 8.115 -4.457 -6.364 616 3HD2 LEU 82 HD2 LEU 82 8.232 -5.491 -7.788 617 H ASP 83 HN ASP 83 10.557 -4.312 -2.139 618 HA ASP 83 HA ASP 83 12.571 -6.219 -1.146 619 1HB ASP 83 HB1 ASP 83 12.605 -3.301 -1.064 620 2HB ASP 83 HB2 ASP 83 12.789 -4.023 0.532 621 H ILE 84 HN ILE 84 12.194 -7.146 0.819 622 HA ILE 84 HA ILE 84 9.845 -6.265 2.334 623 HB ILE 84 HB ILE 84 8.919 -8.434 2.533 624 1HG1 ILE 84 HG1 ILE 84 11.097 -9.654 2.666 625 2HG1 ILE 84 HG1 ILE 84 9.904 -10.453 1.647 626 1HG2 ILE 84 HG2 ILE 84 9.639 -7.679 -0.272 627 2HG2 ILE 84 HG2 ILE 84 8.105 -7.483 0.577 628 3HG2 ILE 84 HG2 ILE 84 8.630 -9.087 0.062 629 1HD1 ILE 84 HD1 ILE 84 11.021 -9.519 -0.338 630 2HD1 ILE 84 HD1 ILE 84 12.067 -10.570 0.616 631 3HD1 ILE 84 HD1 ILE 84 12.250 -8.819 0.715 632 H GLN 85 HN GLN 85 9.745 -7.209 4.511 633 HA GLN 85 HA GLN 85 12.223 -8.301 5.565 634 1HB GLN 85 HB1 GLN 85 12.222 -5.693 5.605 635 2HB GLN 85 HB2 GLN 85 11.085 -5.883 6.933 636 1HG GLN 85 HG2 GLN 85 13.140 -7.610 7.576 637 2HG GLN 85 HG1 GLN 85 13.962 -6.212 6.885 638 1HE2 GLN 85 HE2 GLN 85 11.335 -6.973 9.145 639 2HE2 GLN 85 HE2 GLN 85 11.739 -5.749 10.294 640 H GLN 86 HN GLN 86 11.994 -9.140 7.730 641 HA GLN 86 HA GLN 86 9.187 -9.558 8.523 642 1HB GLN 86 HB1 GLN 86 10.967 -11.727 9.295 643 2HB GLN 86 HB2 GLN 86 9.415 -11.790 8.474 644 1HG GLN 86 HG1 GLN 86 10.723 -11.065 6.386 645 2HG GLN 86 HG2 GLN 86 12.154 -11.547 7.298 646 1HE2 GLN 86 HE2 GLN 86 10.990 -12.667 4.856 647 2HE2 GLN 86 HE2 GLN 86 10.700 -14.335 5.195 648 H ASP 87 HN ASP 87 8.788 -9.854 10.766 649 HA ASP 87 HA ASP 87 10.958 -8.832 12.481 650 1HB ASP 87 HB1 ASP 87 8.388 -7.781 12.057 651 2HB ASP 87 HB2 ASP 87 8.328 -8.536 13.647 652 H GLY 88 HN GLY 88 7.829 -10.269 13.299 653 1HA GLY 88 HA2 GLY 88 9.215 -12.603 14.419 654 2HA GLY 88 HA1 GLY 88 8.183 -11.646 15.472 655 HA PRO 89 HA PRO 89 4.868 -14.185 14.004 656 1HB PRO 89 HB1 PRO 89 2.777 -12.889 15.037 657 2HB PRO 89 HB2 PRO 89 3.984 -13.646 16.081 658 1HG PRO 89 HG2 PRO 89 3.649 -10.769 15.343 659 2HG PRO 89 HG1 PRO 89 4.074 -11.481 16.909 660 1HD PRO 89 HD1 PRO 89 5.883 -10.403 15.102 661 2HD PRO 89 HD2 PRO 89 6.292 -11.551 16.393 662 H THR 90 HN THR 90 5.487 -11.144 12.730 663 HA THR 90 HA THR 90 3.467 -11.561 10.646 664 HB THR 90 HB THR 90 2.657 -9.379 10.682 665 HG1 THR 90 HG1 THR 90 4.157 -8.098 12.468 666 1HG2 THR 90 HG2 THR 90 1.555 -9.409 12.591 667 2HG2 THR 90 HG2 THR 90 3.017 -9.040 13.506 668 3HG2 THR 90 HG2 THR 90 2.614 -10.715 13.123 669 H ILE 91 HN ILE 91 3.961 -9.614 8.927 670 HA ILE 91 HA ILE 91 6.815 -9.308 8.499 671 HB ILE 91 HB ILE 91 6.534 -11.447 7.533 672 1HG1 ILE 91 HG1 ILE 91 6.234 -9.834 5.045 673 2HG1 ILE 91 HG1 ILE 91 7.557 -9.421 6.131 674 1HG2 ILE 91 HG2 ILE 91 4.078 -11.389 7.436 675 2HG2 ILE 91 HG2 ILE 91 4.806 -12.029 5.962 676 3HG2 ILE 91 HG2 ILE 91 4.180 -10.380 5.994 677 1HD1 ILE 91 HD1 ILE 91 8.533 -11.556 5.904 678 2HD1 ILE 91 HD1 ILE 91 8.109 -11.019 4.279 679 3HD1 ILE 91 HD1 ILE 91 7.099 -12.203 5.107 680 H ARG 92 HN ARG 92 7.341 -7.708 6.966 681 HA ARG 92 HA ARG 92 5.094 -6.054 6.070 682 1HB ARG 92 HB2 ARG 92 6.118 -4.869 7.830 683 2HB ARG 92 HB1 ARG 92 7.734 -5.359 7.338 684 1HG ARG 92 HG1 ARG 92 7.471 -3.052 6.828 685 2HG ARG 92 HG2 ARG 92 7.465 -3.956 5.308 686 1HD ARG 92 HD2 ARG 92 4.923 -3.979 5.574 687 2HD ARG 92 HD1 ARG 92 5.166 -2.690 6.754 688 HE ARG 92 HE ARG 92 5.854 -2.521 3.896 689 1HH1 ARG 92 HH2 ARG 92 5.132 -1.025 6.959 690 2HH1 ARG 92 HH2 ARG 92 5.067 0.578 6.307 691 1HH2 ARG 92 HH1 ARG 92 5.770 -0.411 3.029 692 2HH2 ARG 92 HH1 ARG 92 5.430 0.926 4.075 693 H TYR 93 HN TYR 93 5.077 -5.453 3.969 694 HA TYR 93 HA TYR 93 7.491 -5.976 2.356 695 1HB TYR 93 HB2 TYR 93 4.707 -6.194 1.232 696 2HB TYR 93 HB1 TYR 93 6.206 -6.848 0.586 697 HD1 TYR 93 HD1 TYR 93 6.613 -9.098 0.822 698 HD2 TYR 93 HD2 TYR 93 3.957 -7.212 3.555 699 HE1 TYR 93 HE1 TYR 93 6.087 -11.284 1.808 700 HE2 TYR 93 HE2 TYR 93 3.427 -9.397 4.554 701 HH TYR 93 HH TYR 93 3.556 -11.981 3.493 702 H LEU 94 HN LEU 94 7.947 -4.502 0.676 703 HA LEU 94 HA LEU 94 6.147 -2.287 0.205 704 1HB LEU 94 HB2 LEU 94 8.194 -0.704 0.690 705 2HB LEU 94 HB1 LEU 94 7.077 -1.165 1.960 706 HG LEU 94 HG LEU 94 9.371 -2.977 1.658 707 1HD1 LEU 94 HD1 LEU 94 10.890 -1.342 1.421 708 2HD1 LEU 94 HD1 LEU 94 10.582 -1.052 3.133 709 3HD1 LEU 94 HD1 LEU 94 9.760 -0.080 1.913 710 1HD2 LEU 94 HD2 LEU 94 8.950 -1.688 4.216 711 2HD2 LEU 94 HD2 LEU 94 8.881 -3.397 3.785 712 3HD2 LEU 94 HD2 LEU 94 7.461 -2.374 3.565 713 H ILE 95 HN ILE 95 6.409 -1.394 -1.771 714 HA ILE 95 HA ILE 95 8.870 -1.989 -3.260 715 HB ILE 95 HB ILE 95 7.874 -2.977 -5.018 716 1HG1 ILE 95 HG1 ILE 95 5.236 -2.396 -5.372 717 2HG1 ILE 95 HG1 ILE 95 5.790 -0.907 -4.609 718 1HG2 ILE 95 HG2 ILE 95 5.951 -3.398 -2.761 719 2HG2 ILE 95 HG2 ILE 95 7.167 -4.495 -3.414 720 3HG2 ILE 95 HG2 ILE 95 5.694 -4.169 -4.326 721 1HD1 ILE 95 HD1 ILE 95 7.670 -1.003 -6.393 722 2HD1 ILE 95 HD1 ILE 95 6.058 -0.438 -6.838 723 3HD1 ILE 95 HD1 ILE 95 6.559 -2.084 -7.237 724 H GLN 96 HN GLN 96 9.359 -0.470 -4.959 725 HA GLN 96 HA GLN 96 7.738 1.919 -5.164 726 1HB GLN 96 HB1 GLN 96 9.402 3.468 -4.386 727 2HB GLN 96 HB2 GLN 96 9.121 2.281 -3.120 728 1HG GLN 96 HG2 GLN 96 11.182 1.127 -4.421 729 2HG GLN 96 HG1 GLN 96 11.536 2.832 -4.697 730 1HE2 GLN 96 HE2 GLN 96 12.531 3.922 -3.143 731 2HE2 GLN 96 HE2 GLN 96 12.751 3.381 -1.518 732 H LYS 97 HN LYS 97 8.814 3.552 -6.661 733 HA LYS 97 HA LYS 97 10.407 2.146 -8.705 734 1HB LYS 97 HB1 LYS 97 8.139 2.410 -9.521 735 2HB LYS 97 HB2 LYS 97 8.151 4.119 -9.107 736 1HG LYS 97 HG2 LYS 97 9.163 4.688 -11.010 737 2HG LYS 97 HG1 LYS 97 10.320 3.360 -10.898 738 1HD LYS 97 HD1 LYS 97 8.185 1.925 -11.517 739 2HD LYS 97 HD2 LYS 97 7.654 3.458 -12.214 740 1HE LYS 97 HE1 LYS 97 9.061 3.274 -13.935 741 2HE LYS 97 HE2 LYS 97 10.408 2.835 -12.886 742 1HZ LYS 97 HZ1 LYS 97 10.236 0.799 -13.706 743 2HZ LYS 97 HZ2 LYS 97 8.804 1.168 -14.527 744 3HZ LYS 97 HZ3 LYS 97 8.746 0.641 -12.921 Start of MODEL 15 1 1H MET 1 HT1 MET 1 -31.251 8.103 -15.586 2 2H MET 1 HT2 MET 1 -29.686 8.796 -15.706 3 3H MET 1 HT3 MET 1 -31.073 9.806 -15.687 4 HA MET 1 HA MET 1 -30.558 10.039 -13.574 5 1HB MET 1 HB2 MET 1 -32.200 7.612 -13.985 6 2HB MET 1 HB1 MET 1 -31.547 7.819 -12.365 7 1HG MET 1 HG1 MET 1 -33.129 9.280 -11.888 8 2HG MET 1 HG2 MET 1 -32.618 10.307 -13.226 9 1HE MET 1 HE1 MET 1 -34.533 9.499 -16.135 10 2HE MET 1 HE2 MET 1 -33.356 10.475 -15.256 11 3HE MET 1 HE3 MET 1 -35.077 10.837 -15.123 12 H GLY 2 HN GLY 2 -29.942 8.537 -11.450 13 1HA GLY 2 HA2 GLY 2 -27.277 7.492 -12.148 14 2HA GLY 2 HA1 GLY 2 -27.718 8.181 -10.592 15 H SER 3 HN SER 3 -26.720 6.214 -9.743 16 HA SER 3 HA SER 3 -28.422 3.832 -9.998 17 1HB SER 3 HB2 SER 3 -25.583 4.151 -8.997 18 2HB SER 3 HB1 SER 3 -26.485 2.637 -8.935 19 HG SER 3 HG SER 3 -25.249 2.673 -10.803 20 H SER 4 HN SER 4 -26.795 5.863 -7.584 21 HA SER 4 HA SER 4 -28.114 4.564 -5.380 22 1HB SER 4 HB2 SER 4 -25.985 6.507 -5.736 23 2HB SER 4 HB1 SER 4 -27.097 7.001 -4.459 24 HG SER 4 HG SER 4 -26.812 4.656 -3.788 25 H HIS 5 HN HIS 5 -29.007 6.367 -3.690 26 HA HIS 5 HA HIS 5 -31.530 7.112 -4.703 27 1HB HIS 5 HB2 HIS 5 -31.117 6.615 -2.321 28 2HB HIS 5 HB1 HIS 5 -30.138 8.073 -2.192 29 HD2 HIS 5 HD2 HIS 5 -33.831 6.970 -2.189 30 HE1 HIS 5 HE1 HIS 5 -33.685 11.177 -1.745 31 HE2 HIS 5 HE2 HIS 5 -35.177 9.127 -1.673 32 H HIS 6 HN HIS 6 -28.753 9.120 -3.723 33 HA HIS 6 HA HIS 6 -29.621 11.136 -5.668 34 1HB HIS 6 HB2 HIS 6 -29.049 12.927 -4.019 35 2HB HIS 6 HB1 HIS 6 -30.449 11.963 -3.561 36 HD2 HIS 6 HD2 HIS 6 -29.953 10.090 -1.457 37 HE1 HIS 6 HE1 HIS 6 -26.490 12.153 -0.163 38 HE2 HIS 6 HE2 HIS 6 -28.198 10.374 0.433 39 H HIS 7 HN HIS 7 -28.009 11.976 -6.853 40 HA HIS 7 HA HIS 7 -25.318 10.984 -6.372 41 1HB HIS 7 HB2 HIS 7 -24.857 12.055 -8.614 42 2HB HIS 7 HB1 HIS 7 -26.062 10.773 -8.632 43 HD2 HIS 7 HD2 HIS 7 -28.456 11.454 -9.676 44 HE1 HIS 7 HE1 HIS 7 -27.769 15.628 -9.827 45 HE2 HIS 7 HE2 HIS 7 -29.360 13.757 -10.459 46 H HIS 8 HN HIS 8 -23.603 12.763 -7.216 47 HA HIS 8 HA HIS 8 -23.841 14.931 -5.277 48 1HB HIS 8 HB2 HIS 8 -21.532 13.752 -6.813 49 2HB HIS 8 HB1 HIS 8 -21.381 15.287 -5.963 50 HD2 HIS 8 HD2 HIS 8 -19.436 13.602 -4.526 51 HE1 HIS 8 HE1 HIS 8 -22.525 12.025 -2.100 52 HE2 HIS 8 HE2 HIS 8 -20.017 12.298 -2.360 53 H HIS 9 HN HIS 9 -24.624 16.813 -5.932 54 HA HIS 9 HA HIS 9 -24.416 17.561 -8.753 55 1HB HIS 9 HB2 HIS 9 -26.015 19.410 -8.045 56 2HB HIS 9 HB1 HIS 9 -26.638 17.766 -7.946 57 HD2 HIS 9 HD2 HIS 9 -25.376 20.587 -5.528 58 HE1 HIS 9 HE1 HIS 9 -27.715 17.788 -3.381 59 HE2 HIS 9 HE2 HIS 9 -26.481 20.001 -3.255 60 H HIS 10 HN HIS 10 -22.343 17.774 -6.435 61 HA HIS 10 HA HIS 10 -21.838 20.593 -6.246 62 1HB HIS 10 HB1 HIS 10 -20.631 18.111 -5.194 63 2HB HIS 10 HB2 HIS 10 -19.507 19.442 -5.447 64 HD2 HIS 10 HD2 HIS 10 -20.504 18.326 -2.444 65 HE1 HIS 10 HE1 HIS 10 -22.247 22.181 -2.286 66 HE2 HIS 10 HE2 HIS 10 -21.514 20.171 -0.923 67 H SER 11 HN SER 11 -19.226 20.997 -6.617 68 HA SER 11 HA SER 11 -18.950 20.722 -9.517 69 1HB SER 11 HB2 SER 11 -17.312 22.457 -7.657 70 2HB SER 11 HB1 SER 11 -17.421 22.576 -9.413 71 HG SER 11 HG SER 11 -18.733 24.127 -8.343 72 H SER 12 HN SER 12 -18.328 18.456 -9.299 73 HA SER 12 HA SER 12 -15.444 18.215 -8.813 74 1HB SER 12 HB2 SER 12 -16.181 15.760 -8.046 75 2HB SER 12 HB1 SER 12 -16.062 17.100 -6.905 76 HG SER 12 HG SER 12 -18.451 16.407 -8.263 77 H GLY 13 HN GLY 13 -18.228 17.486 -10.666 78 1HA GLY 13 HA2 GLY 13 -16.815 15.476 -12.265 79 2HA GLY 13 HA1 GLY 13 -18.525 15.867 -12.374 80 H LEU 14 HN LEU 14 -15.287 16.859 -13.270 81 HA LEU 14 HA LEU 14 -16.460 18.587 -15.347 82 1HB LEU 14 HB1 LEU 14 -13.776 18.941 -14.012 83 2HB LEU 14 HB2 LEU 14 -14.489 20.000 -15.213 84 HG LEU 14 HG LEU 14 -16.223 19.676 -12.903 85 1HD1 LEU 14 HD2 LEU 14 -14.908 20.205 -11.173 86 2HD1 LEU 14 HD2 LEU 14 -13.942 21.330 -12.128 87 3HD1 LEU 14 HD2 LEU 14 -13.593 19.602 -12.182 88 1HD2 LEU 14 HD1 LEU 14 -16.695 21.838 -13.331 89 2HD2 LEU 14 HD1 LEU 14 -15.910 21.481 -14.869 90 3HD2 LEU 14 HD1 LEU 14 -15.003 22.271 -13.580 91 H VAL 15 HN VAL 15 -15.291 18.709 -17.354 92 HA VAL 15 HA VAL 15 -13.714 16.277 -17.886 93 HB VAL 15 HB VAL 15 -14.460 16.567 -20.275 94 1HG1 VAL 15 HG2 VAL 15 -16.576 16.066 -18.185 95 2HG1 VAL 15 HG2 VAL 15 -15.453 14.881 -18.852 96 3HG1 VAL 15 HG2 VAL 15 -16.692 15.599 -19.881 97 1HG2 VAL 15 HG1 VAL 15 -16.450 18.471 -19.044 98 2HG2 VAL 15 HG1 VAL 15 -16.421 17.925 -20.720 99 3HG2 VAL 15 HG1 VAL 15 -15.114 18.932 -20.097 100 HA PRO 16 HA PRO 16 -12.564 15.490 -19.693 101 1HB PRO 16 HB2 PRO 16 -9.663 15.325 -19.521 102 2HB PRO 16 HB1 PRO 16 -10.712 15.011 -20.904 103 1HG PRO 16 HG2 PRO 16 -9.031 17.140 -20.779 104 2HG PRO 16 HG1 PRO 16 -10.563 17.168 -21.672 105 1HD PRO 16 HD1 PRO 16 -9.929 18.277 -18.962 106 2HD PRO 16 HD2 PRO 16 -10.897 18.987 -20.272 107 H ARG 17 HN ARG 17 -10.162 16.822 -17.427 108 HA ARG 17 HA ARG 17 -11.039 14.826 -15.455 109 1HB ARG 17 HB2 ARG 17 -8.385 15.182 -16.591 110 2HB ARG 17 HB1 ARG 17 -8.373 15.327 -14.839 111 1HG ARG 17 HG1 ARG 17 -8.170 13.102 -14.877 112 2HG ARG 17 HG2 ARG 17 -9.910 13.115 -15.173 113 1HD ARG 17 HD1 ARG 17 -8.398 13.481 -17.616 114 2HD ARG 17 HD2 ARG 17 -7.955 11.987 -16.791 115 HE ARG 17 HE ARG 17 -10.654 12.686 -17.731 116 1HH1 ARG 17 HH1 ARG 17 -8.316 10.340 -16.647 117 2HH1 ARG 17 HH1 ARG 17 -9.314 8.978 -17.032 118 1HH2 ARG 17 HH2 ARG 17 -11.974 10.897 -18.240 119 2HH2 ARG 17 HH2 ARG 17 -11.393 9.295 -17.937 120 H GLY 18 HN GLY 18 -9.833 15.512 -13.237 121 1HA GLY 18 HA1 GLY 18 -10.694 18.293 -12.809 122 2HA GLY 18 HA2 GLY 18 -10.608 17.051 -11.569 123 H SER 19 HN SER 19 -9.217 17.852 -10.117 124 HA SER 19 HA SER 19 -6.489 18.407 -11.042 125 1HB SER 19 HB2 SER 19 -8.212 20.421 -10.221 126 2HB SER 19 HB1 SER 19 -7.259 20.082 -8.776 127 HG SER 19 HG SER 19 -5.684 21.109 -9.685 128 H HIS 20 HN HIS 20 -7.644 16.062 -9.830 129 HA HIS 20 HA HIS 20 -7.032 15.969 -7.057 130 1HB HIS 20 HB2 HIS 20 -7.113 13.452 -7.446 131 2HB HIS 20 HB1 HIS 20 -8.572 14.351 -7.850 132 HD2 HIS 20 HD2 HIS 20 -5.745 12.329 -9.590 133 HE1 HIS 20 HE1 HIS 20 -8.740 13.262 -12.433 134 HE2 HIS 20 HE2 HIS 20 -6.612 11.949 -12.007 135 H MET 21 HN MET 21 -5.276 15.023 -5.998 136 HA MET 21 HA MET 21 -2.877 14.587 -7.648 137 1HB MET 21 HB1 MET 21 -3.333 16.563 -5.578 138 2HB MET 21 HB2 MET 21 -1.983 15.515 -5.163 139 1HG MET 21 HG1 MET 21 -2.260 16.999 -7.766 140 2HG MET 21 HG2 MET 21 -1.320 17.556 -6.382 141 1HE MET 21 HE1 MET 21 0.703 17.753 -8.271 142 2HE MET 21 HE2 MET 21 1.931 16.556 -7.858 143 3HE MET 21 HE3 MET 21 1.105 17.448 -6.582 144 H LYS 22 HN LYS 22 -5.004 12.987 -5.970 145 HA LYS 22 HA LYS 22 -3.095 11.423 -4.377 146 1HB LYS 22 HB1 LYS 22 -6.019 11.936 -4.187 147 2HB LYS 22 HB2 LYS 22 -5.443 10.358 -3.666 148 1HG LYS 22 HG2 LYS 22 -4.021 12.752 -2.644 149 2HG LYS 22 HG1 LYS 22 -5.630 12.407 -2.007 150 1HD LYS 22 HD1 LYS 22 -3.691 10.162 -2.162 151 2HD LYS 22 HD2 LYS 22 -3.435 11.387 -0.918 152 1HE LYS 22 HE2 LYS 22 -5.086 10.570 0.328 153 2HE LYS 22 HE1 LYS 22 -6.207 10.614 -1.032 154 1HZ LYS 22 HZ1 LYS 22 -4.264 8.439 -0.472 155 2HZ LYS 22 HZ2 LYS 22 -5.357 8.478 -1.764 156 3HZ LYS 22 HZ3 LYS 22 -5.928 8.372 -0.175 157 H ASN 23 HN ASN 23 -5.097 11.350 -7.178 158 HA ASN 23 HA ASN 23 -4.740 8.448 -7.450 159 1HB ASN 23 HB1 ASN 23 -6.818 10.332 -8.262 160 2HB ASN 23 HB2 ASN 23 -6.306 9.284 -9.582 161 1HD2 ASN 23 HD2 ASN 23 -5.856 6.925 -8.548 162 2HD2 ASN 23 HD2 ASN 23 -7.242 6.292 -7.735 163 H ILE 24 HN ILE 24 -2.391 9.415 -7.799 164 HA ILE 24 HA ILE 24 -2.000 9.478 -10.711 165 HB ILE 24 HB ILE 24 -0.070 11.046 -10.348 166 1HG1 ILE 24 HG1 ILE 24 -1.343 12.009 -7.841 167 2HG1 ILE 24 HG1 ILE 24 -0.368 10.546 -7.720 168 1HG2 ILE 24 HG2 ILE 24 -2.669 12.317 -9.550 169 2HG2 ILE 24 HG2 ILE 24 -2.408 11.657 -11.164 170 3HG2 ILE 24 HG2 ILE 24 -1.388 12.968 -10.573 171 1HD1 ILE 24 HD1 ILE 24 1.553 11.709 -8.594 172 2HD1 ILE 24 HD1 ILE 24 0.897 12.584 -7.211 173 3HD1 ILE 24 HD1 ILE 24 0.590 13.165 -8.848 174 H VAL 25 HN VAL 25 -1.091 8.354 -7.616 175 HA VAL 25 HA VAL 25 1.044 6.737 -8.827 176 HB VAL 25 HB VAL 25 2.094 6.900 -6.421 177 1HG1 VAL 25 HG2 VAL 25 3.729 7.960 -7.501 178 2HG1 VAL 25 HG2 VAL 25 2.729 9.388 -7.769 179 3HG1 VAL 25 HG2 VAL 25 2.641 8.028 -8.887 180 1HG2 VAL 25 HG1 VAL 25 1.350 8.489 -5.055 181 2HG2 VAL 25 HG1 VAL 25 -0.014 8.700 -6.151 182 3HG2 VAL 25 HG1 VAL 25 1.424 9.705 -6.330 183 HA PRO 26 HA PRO 26 -0.903 3.188 -7.100 184 1HB PRO 26 HB1 PRO 26 1.780 2.347 -6.133 185 2HB PRO 26 HB2 PRO 26 0.631 1.483 -7.159 186 1HG PRO 26 HG1 PRO 26 2.816 2.576 -8.207 187 2HG PRO 26 HG2 PRO 26 1.269 2.643 -9.070 188 1HD PRO 26 HD1 PRO 26 2.661 4.780 -7.505 189 2HD PRO 26 HD2 PRO 26 1.760 4.906 -9.030 190 H ASP 27 HN ASP 27 1.799 3.266 -4.834 191 HA ASP 27 HA ASP 27 1.798 3.109 -2.569 192 1HB ASP 27 HB1 ASP 27 0.888 5.119 -1.425 193 2HB ASP 27 HB2 ASP 27 1.910 5.506 -2.807 194 H TYR 28 HN TYR 28 0.438 1.130 -2.957 195 HA TYR 28 HA TYR 28 -2.282 1.459 -1.875 196 1HB TYR 28 HB1 TYR 28 -1.077 -0.329 -3.831 197 2HB TYR 28 HB2 TYR 28 -1.985 -1.210 -2.605 198 HD1 TYR 28 HD1 TYR 28 -4.401 -0.805 -2.321 199 HD2 TYR 28 HD2 TYR 28 -2.191 1.042 -5.451 200 HE1 TYR 28 HE1 TYR 28 -6.503 -0.268 -3.479 201 HE2 TYR 28 HE2 TYR 28 -4.286 1.585 -6.618 202 HH TYR 28 HH TYR 28 -7.429 0.937 -5.151 203 H ARG 29 HN ARG 29 -3.042 0.008 -0.221 204 HA ARG 29 HA ARG 29 -0.854 -1.016 1.458 205 1HB ARG 29 HB2 ARG 29 -2.997 -0.457 3.165 206 2HB ARG 29 HB1 ARG 29 -1.492 0.440 3.023 207 1HG ARG 29 HG2 ARG 29 -2.790 1.585 1.020 208 2HG ARG 29 HG1 ARG 29 -4.188 1.072 1.967 209 1HD ARG 29 HD2 ARG 29 -2.085 2.308 3.568 210 2HD ARG 29 HD1 ARG 29 -2.756 3.383 2.343 211 HE ARG 29 HE ARG 29 -4.961 2.348 3.495 212 1HH1 ARG 29 HH2 ARG 29 -2.098 3.853 4.791 213 2HH1 ARG 29 HH2 ARG 29 -2.912 4.508 6.172 214 1HH2 ARG 29 HH1 ARG 29 -6.040 3.208 5.311 215 2HH2 ARG 29 HH1 ARG 29 -5.152 4.142 6.469 216 H LEU 30 HN LEU 30 -0.898 -3.111 1.717 217 HA LEU 30 HA LEU 30 -3.490 -4.512 1.739 218 1HB LEU 30 HB2 LEU 30 -1.627 -4.972 -0.091 219 2HB LEU 30 HB1 LEU 30 -0.924 -5.944 1.184 220 HG LEU 30 HG LEU 30 -2.403 -7.145 -0.519 221 1HD1 LEU 30 HD2 LEU 30 -2.660 -8.766 1.002 222 2HD1 LEU 30 HD2 LEU 30 -3.614 -7.746 2.077 223 3HD1 LEU 30 HD2 LEU 30 -1.855 -7.652 2.105 224 1HD2 LEU 30 HD1 LEU 30 -4.213 -5.156 0.196 225 2HD2 LEU 30 HD1 LEU 30 -4.823 -6.620 0.968 226 3HD2 LEU 30 HD1 LEU 30 -4.540 -6.592 -0.772 227 H ASP 31 HN ASP 31 -3.613 -4.001 4.013 228 HA ASP 31 HA ASP 31 -1.624 -5.318 5.708 229 1HB ASP 31 HB1 ASP 31 -3.835 -3.514 6.672 230 2HB ASP 31 HB2 ASP 31 -2.305 -3.889 7.461 231 H MET 32 HN MET 32 -2.720 -7.367 4.888 232 HA MET 32 HA MET 32 -4.708 -8.161 6.880 233 1HB MET 32 HB2 MET 32 -4.961 -8.823 3.940 234 2HB MET 32 HB1 MET 32 -6.021 -9.397 5.221 235 1HG MET 32 HG1 MET 32 -6.692 -7.079 5.677 236 2HG MET 32 HG2 MET 32 -5.669 -6.540 4.347 237 1HE MET 32 HE1 MET 32 -8.032 -6.414 1.556 238 2HE MET 32 HE2 MET 32 -6.340 -6.329 2.045 239 3HE MET 32 HE3 MET 32 -7.550 -5.352 2.877 240 H VAL 33 HN VAL 33 -4.229 -10.379 4.355 241 HA VAL 33 HA VAL 33 -2.042 -11.733 5.767 242 HB VAL 33 HB VAL 33 -4.430 -13.210 4.667 243 1HG1 VAL 33 HG1 VAL 33 -3.449 -14.969 6.276 244 2HG1 VAL 33 HG1 VAL 33 -1.988 -13.981 6.221 245 3HG1 VAL 33 HG1 VAL 33 -2.634 -14.685 4.738 246 1HG2 VAL 33 HG2 VAL 33 -5.441 -12.140 6.435 247 2HG2 VAL 33 HG2 VAL 33 -3.954 -12.064 7.380 248 3HG2 VAL 33 HG2 VAL 33 -4.821 -13.592 7.223 249 H GLY 34 HN GLY 34 -0.684 -13.005 4.439 250 1HA GLY 34 HA2 GLY 34 -0.329 -12.049 1.813 251 2HA GLY 34 HA1 GLY 34 0.421 -13.497 2.467 252 H GLU 35 HN GLU 35 -2.544 -14.298 3.036 253 HA GLU 35 HA GLU 35 -2.861 -16.071 0.891 254 1HB GLU 35 HB1 GLU 35 -4.609 -16.874 2.095 255 2HB GLU 35 HB2 GLU 35 -3.980 -15.812 3.348 256 1HG GLU 35 HG2 GLU 35 -5.549 -14.041 2.401 257 2HG GLU 35 HG1 GLU 35 -6.314 -15.366 1.525 258 HA PRO 36 HA PRO 36 -4.846 -13.737 -2.293 259 1HB PRO 36 HB1 PRO 36 -6.798 -15.406 -3.183 260 2HB PRO 36 HB2 PRO 36 -5.082 -15.662 -3.518 261 1HG PRO 36 HG2 PRO 36 -6.813 -16.925 -1.423 262 2HG PRO 36 HG1 PRO 36 -5.612 -17.683 -2.488 263 1HD PRO 36 HD1 PRO 36 -5.069 -17.069 0.084 264 2HD PRO 36 HD2 PRO 36 -3.834 -16.979 -1.189 265 H CYS 37 HN CYS 37 -5.643 -12.259 -0.541 266 HA CYS 37 HA CYS 37 -8.278 -12.479 0.483 267 1HB CYS 37 HB2 CYS 37 -6.088 -10.543 0.540 268 2HB CYS 37 HB1 CYS 37 -7.669 -9.770 0.479 269 HG CYS 37 HG CYS 37 -8.201 -10.604 2.770 270 HA PRO 38 HA PRO 38 -11.037 -10.958 -2.618 271 1HB PRO 38 HB1 PRO 38 -11.464 -8.447 -1.069 272 2HB PRO 38 HB2 PRO 38 -12.651 -9.582 -1.721 273 1HG PRO 38 HG1 PRO 38 -12.092 -9.558 0.879 274 2HG PRO 38 HG2 PRO 38 -12.360 -11.089 0.024 275 1HD PRO 38 HD2 PRO 38 -9.804 -9.851 0.949 276 2HD PRO 38 HD1 PRO 38 -10.277 -11.561 0.894 277 H TYR 39 HN TYR 39 -8.995 -8.345 -1.314 278 HA TYR 39 HA TYR 39 -8.353 -7.566 -4.074 279 1HB TYR 39 HB1 TYR 39 -8.847 -5.563 -1.863 280 2HB TYR 39 HB2 TYR 39 -8.548 -5.224 -3.564 281 HD1 TYR 39 HD1 TYR 39 -11.032 -5.594 -1.095 282 HD2 TYR 39 HD2 TYR 39 -10.299 -6.245 -5.235 283 HE1 TYR 39 HE1 TYR 39 -13.455 -5.599 -1.518 284 HE2 TYR 39 HE2 TYR 39 -12.718 -6.251 -5.670 285 HH TYR 39 HH TYR 39 -14.883 -6.826 -4.024 286 HA PRO 40 HA PRO 40 -4.494 -7.822 -1.587 287 1HB PRO 40 HB1 PRO 40 -3.436 -10.054 -2.573 288 2HB PRO 40 HB2 PRO 40 -4.781 -10.130 -1.429 289 1HG PRO 40 HG1 PRO 40 -4.767 -10.559 -4.373 290 2HG PRO 40 HG2 PRO 40 -5.778 -11.317 -3.132 291 1HD PRO 40 HD2 PRO 40 -6.461 -9.122 -4.805 292 2HD PRO 40 HD1 PRO 40 -7.403 -9.772 -3.450 293 H ALA 41 HN ALA 41 -2.457 -9.243 -3.325 294 HA ALA 41 HA ALA 41 -1.185 -7.085 -4.472 295 1HB ALA 41 HB1 ALA 41 -0.780 -9.755 -5.714 296 2HB ALA 41 HB2 ALA 41 -0.402 -9.551 -4.005 297 3HB ALA 41 HB3 ALA 41 0.404 -8.548 -5.212 298 H VAL 42 HN VAL 42 -4.024 -8.444 -5.604 299 HA VAL 42 HA VAL 42 -3.813 -8.569 -8.347 300 HB VAL 42 HB VAL 42 -6.105 -7.478 -6.709 301 1HG1 VAL 42 HG1 VAL 42 -7.338 -8.317 -8.898 302 2HG1 VAL 42 HG1 VAL 42 -5.792 -7.893 -9.634 303 3HG1 VAL 42 HG1 VAL 42 -6.714 -6.673 -8.757 304 1HG2 VAL 42 HG2 VAL 42 -5.145 -9.977 -6.658 305 2HG2 VAL 42 HG2 VAL 42 -6.221 -10.111 -8.049 306 3HG2 VAL 42 HG2 VAL 42 -6.859 -9.603 -6.485 307 H ALA 43 HN ALA 43 -3.844 -5.767 -6.262 308 HA ALA 43 HA ALA 43 -4.174 -3.828 -8.346 309 1HB ALA 43 HB1 ALA 43 -4.443 -2.438 -6.634 310 2HB ALA 43 HB2 ALA 43 -2.814 -2.772 -6.047 311 3HB ALA 43 HB3 ALA 43 -4.160 -3.795 -5.545 312 H THR 44 HN THR 44 -1.455 -5.285 -6.644 313 HA THR 44 HA THR 44 0.601 -3.686 -7.688 314 HB THR 44 HB THR 44 1.127 -6.567 -7.166 315 HG1 THR 44 HG1 THR 44 -0.516 -5.838 -5.638 316 1HG2 THR 44 HG2 THR 44 3.048 -5.207 -7.444 317 2HG2 THR 44 HG2 THR 44 2.914 -5.598 -5.729 318 3HG2 THR 44 HG2 THR 44 2.434 -4.003 -6.311 319 H LEU 45 HN LEU 45 -0.732 -6.779 -8.814 320 HA LEU 45 HA LEU 45 0.973 -7.174 -10.984 321 1HB LEU 45 HB1 LEU 45 -1.842 -8.039 -10.404 322 2HB LEU 45 HB2 LEU 45 -1.083 -8.438 -11.932 323 HG LEU 45 HG LEU 45 -0.017 -9.226 -9.216 324 1HD1 LEU 45 HD1 LEU 45 -1.453 -10.871 -11.294 325 2HD1 LEU 45 HD1 LEU 45 -2.111 -10.366 -9.738 326 3HD1 LEU 45 HD1 LEU 45 -0.745 -11.478 -9.798 327 1HD2 LEU 45 HD2 LEU 45 0.978 -9.533 -11.999 328 2HD2 LEU 45 HD2 LEU 45 1.231 -10.863 -10.869 329 3HD2 LEU 45 HD2 LEU 45 1.869 -9.259 -10.502 330 H GLU 46 HN GLU 46 -2.233 -5.621 -10.903 331 HA GLU 46 HA GLU 46 -2.145 -4.845 -13.645 332 1HB GLU 46 HB1 GLU 46 -4.162 -3.585 -13.170 333 2HB GLU 46 HB2 GLU 46 -4.261 -5.165 -12.405 334 1HG GLU 46 HG2 GLU 46 -4.009 -4.295 -10.274 335 2HG GLU 46 HG1 GLU 46 -3.292 -2.796 -10.864 336 H ALA 47 HN ALA 47 -0.632 -3.670 -10.878 337 HA ALA 47 HA ALA 47 -0.584 -0.884 -11.530 338 1HB ALA 47 HB1 ALA 47 1.638 -1.778 -9.896 339 2HB ALA 47 HB2 ALA 47 0.090 -2.388 -9.311 340 3HB ALA 47 HB3 ALA 47 0.333 -0.654 -9.515 341 H MET 48 HN MET 48 1.298 -3.675 -12.410 342 HA MET 48 HA MET 48 3.718 -2.633 -13.129 343 1HB MET 48 HB2 MET 48 2.232 -4.988 -13.754 344 2HB MET 48 HB1 MET 48 2.971 -4.390 -15.234 345 1HG MET 48 HG2 MET 48 4.426 -4.949 -12.660 346 2HG MET 48 HG1 MET 48 4.385 -6.011 -14.067 347 1HE MET 48 HE1 MET 48 6.874 -4.640 -16.477 348 2HE MET 48 HE2 MET 48 5.127 -4.849 -16.609 349 3HE MET 48 HE3 MET 48 6.099 -6.056 -15.767 350 HA PRO 49 HA PRO 49 2.131 -1.137 -17.398 351 1HB PRO 49 HB2 PRO 49 -0.514 -1.118 -17.916 352 2HB PRO 49 HB1 PRO 49 0.492 -2.540 -18.218 353 1HG PRO 49 HG2 PRO 49 -1.333 -1.959 -15.918 354 2HG PRO 49 HG1 PRO 49 -1.110 -3.472 -16.814 355 1HD PRO 49 HD1 PRO 49 0.044 -2.973 -14.391 356 2HD PRO 49 HD2 PRO 49 0.750 -4.056 -15.606 357 H GLN 50 HN GLN 50 -0.141 -0.574 -14.746 358 HA GLN 50 HA GLN 50 -0.676 2.146 -15.425 359 1HB GLN 50 HB1 GLN 50 -2.047 0.470 -13.961 360 2HB GLN 50 HB2 GLN 50 -1.013 1.040 -12.657 361 1HG GLN 50 HG2 GLN 50 -1.742 3.349 -13.141 362 2HG GLN 50 HG1 GLN 50 -2.849 2.711 -14.356 363 1HE2 GLN 50 HE2 GLN 50 -4.747 3.261 -13.426 364 2HE2 GLN 50 HE2 GLN 50 -5.299 2.646 -11.910 365 H LEU 51 HN LEU 51 2.126 0.817 -14.464 366 HA LEU 51 HA LEU 51 3.111 2.145 -12.296 367 1HB LEU 51 HB2 LEU 51 5.161 1.465 -12.982 368 2HB LEU 51 HB1 LEU 51 4.195 0.497 -14.076 369 HG LEU 51 HG LEU 51 4.619 2.920 -15.422 370 1HD1 LEU 51 HD1 LEU 51 6.479 3.024 -13.541 371 2HD1 LEU 51 HD1 LEU 51 6.792 3.552 -15.194 372 3HD1 LEU 51 HD1 LEU 51 7.320 1.956 -14.664 373 1HD2 LEU 51 HD2 LEU 51 6.255 1.371 -16.724 374 2HD2 LEU 51 HD2 LEU 51 4.530 1.005 -16.703 375 3HD2 LEU 51 HD2 LEU 51 5.632 0.119 -15.647 376 H LYS 52 HN LYS 52 4.349 4.058 -11.989 377 HA LYS 52 HA LYS 52 3.984 6.141 -14.026 378 1HB LYS 52 HB2 LYS 52 2.999 6.153 -11.212 379 2HB LYS 52 HB1 LYS 52 3.609 7.661 -11.877 380 1HG LYS 52 HG1 LYS 52 1.376 5.994 -13.021 381 2HG LYS 52 HG2 LYS 52 1.202 7.508 -12.131 382 1HD LYS 52 HD2 LYS 52 2.741 7.247 -14.710 383 2HD LYS 52 HD1 LYS 52 1.046 7.729 -14.623 384 1HE LYS 52 HE1 LYS 52 1.530 9.762 -13.666 385 2HE LYS 52 HE2 LYS 52 3.048 9.193 -12.971 386 1HZ LYS 52 HZ1 LYS 52 2.994 10.766 -15.058 387 2HZ LYS 52 HZ2 LYS 52 2.839 9.299 -15.886 388 3HZ LYS 52 HZ3 LYS 52 4.178 9.569 -14.888 389 H LYS 53 HN LYS 53 5.067 8.270 -12.686 390 HA LYS 53 HA LYS 53 7.868 7.520 -12.651 391 1HB LYS 53 HB1 LYS 53 6.319 9.981 -13.059 392 2HB LYS 53 HB2 LYS 53 7.796 10.216 -12.133 393 1HG LYS 53 HG1 LYS 53 9.065 9.123 -13.944 394 2HG LYS 53 HG2 LYS 53 7.573 9.002 -14.879 395 1HD LYS 53 HD1 LYS 53 7.776 11.102 -15.583 396 2HD LYS 53 HD2 LYS 53 7.942 11.690 -13.927 397 1HE LYS 53 HE1 LYS 53 9.953 12.337 -14.835 398 2HE LYS 53 HE2 LYS 53 10.372 10.769 -14.148 399 1HZ LYS 53 HZ1 LYS 53 10.413 11.613 -16.868 400 2HZ LYS 53 HZ2 LYS 53 9.486 10.210 -16.678 401 3HZ LYS 53 HZ3 LYS 53 11.097 10.236 -16.161 402 H GLY 54 HN GLY 54 6.515 6.456 -10.471 403 1HA GLY 54 HA2 GLY 54 8.106 6.868 -8.337 404 2HA GLY 54 HA1 GLY 54 6.942 8.175 -8.177 405 H GLU 55 HN GLU 55 6.760 4.717 -9.036 406 HA GLU 55 HA GLU 55 4.260 4.394 -7.703 407 1HB GLU 55 HB2 GLU 55 4.230 2.290 -8.594 408 2HB GLU 55 HB1 GLU 55 5.394 3.031 -9.678 409 1HG GLU 55 HG1 GLU 55 7.057 2.119 -7.790 410 2HG GLU 55 HG2 GLU 55 5.751 0.946 -7.629 411 H ILE 56 HN ILE 56 3.825 3.008 -5.905 412 HA ILE 56 HA ILE 56 5.968 2.210 -4.161 413 HB ILE 56 HB ILE 56 4.358 4.660 -3.583 414 1HG1 ILE 56 HG1 ILE 56 6.987 4.281 -2.342 415 2HG1 ILE 56 HG1 ILE 56 7.019 4.153 -4.097 416 1HG2 ILE 56 HG2 ILE 56 4.880 4.388 -1.152 417 2HG2 ILE 56 HG2 ILE 56 5.297 2.708 -1.492 418 3HG2 ILE 56 HG2 ILE 56 3.652 3.282 -1.768 419 1HD1 ILE 56 HD1 ILE 56 7.329 6.375 -3.933 420 2HD1 ILE 56 HD1 ILE 56 6.510 6.487 -2.374 421 3HD1 ILE 56 HD1 ILE 56 5.567 6.378 -3.860 422 H LEU 57 HN LEU 57 5.240 0.931 -2.391 423 HA LEU 57 HA LEU 57 2.404 0.295 -2.270 424 1HB LEU 57 HB2 LEU 57 3.607 -1.268 -3.877 425 2HB LEU 57 HB1 LEU 57 4.418 -1.922 -2.488 426 HG LEU 57 HG LEU 57 2.144 -2.450 -1.541 427 1HD1 LEU 57 HD2 LEU 57 0.316 -1.688 -2.532 428 2HD1 LEU 57 HD2 LEU 57 0.736 -2.563 -4.006 429 3HD1 LEU 57 HD2 LEU 57 1.311 -0.912 -3.766 430 1HD2 LEU 57 HD1 LEU 57 3.194 -3.708 -4.047 431 2HD2 LEU 57 HD1 LEU 57 1.751 -4.336 -3.249 432 3HD2 LEU 57 HD1 LEU 57 3.287 -4.288 -2.383 433 H GLU 58 HN GLU 58 1.832 -0.893 -0.393 434 HA GLU 58 HA GLU 58 3.911 -1.251 1.543 435 1HB GLU 58 HB1 GLU 58 1.613 0.120 2.756 436 2HB GLU 58 HB2 GLU 58 3.331 0.372 3.020 437 1HG GLU 58 HG1 GLU 58 3.462 2.042 1.511 438 2HG GLU 58 HG2 GLU 58 2.264 1.324 0.430 439 H VAL 59 HN VAL 59 3.609 -3.328 2.064 440 HA VAL 59 HA VAL 59 0.844 -4.233 2.547 441 HB VAL 59 HB VAL 59 3.128 -5.869 1.459 442 1HG1 VAL 59 HG1 VAL 59 0.241 -6.674 1.700 443 2HG1 VAL 59 HG1 VAL 59 1.426 -7.013 2.961 444 3HG1 VAL 59 HG1 VAL 59 1.638 -7.691 1.347 445 1HG2 VAL 59 HG2 VAL 59 2.195 -5.696 -0.642 446 2HG2 VAL 59 HG2 VAL 59 1.905 -4.080 0.002 447 3HG2 VAL 59 HG2 VAL 59 0.602 -5.269 -0.018 448 H VAL 60 HN VAL 60 0.393 -5.016 4.464 449 HA VAL 60 HA VAL 60 2.534 -6.172 6.115 450 HB VAL 60 HB VAL 60 0.294 -4.784 7.502 451 1HG1 VAL 60 HG2 VAL 60 3.047 -5.696 8.067 452 2HG1 VAL 60 HG2 VAL 60 1.607 -5.727 9.086 453 3HG1 VAL 60 HG2 VAL 60 2.518 -4.229 8.893 454 1HG2 VAL 60 HG1 VAL 60 2.283 -2.864 7.434 455 2HG2 VAL 60 HG1 VAL 60 0.741 -2.803 6.580 456 3HG2 VAL 60 HG1 VAL 60 2.177 -3.420 5.763 457 H SER 61 HN SER 61 1.993 -8.289 5.886 458 HA SER 61 HA SER 61 -0.787 -9.001 6.531 459 1HB SER 61 HB2 SER 61 -0.052 -11.067 4.959 460 2HB SER 61 HB1 SER 61 -0.833 -9.613 4.338 461 HG SER 61 HG SER 61 1.910 -10.290 4.304 462 H ASP 62 HN ASP 62 -0.712 -11.625 6.653 463 HA ASP 62 HA ASP 62 1.262 -12.243 8.740 464 1HB ASP 62 HB1 ASP 62 -1.569 -12.297 8.825 465 2HB ASP 62 HB2 ASP 62 -1.010 -13.965 8.885 466 H CYS 63 HN CYS 63 2.743 -13.549 7.964 467 HA CYS 63 HA CYS 63 2.061 -16.076 6.830 468 1HB CYS 63 HB2 CYS 63 3.958 -14.852 4.984 469 2HB CYS 63 HB1 CYS 63 2.516 -15.799 4.638 470 HG CYS 63 HG CYS 63 2.602 -12.714 4.855 471 HA PRO 64 HA PRO 64 5.864 -15.534 9.624 472 1HB PRO 64 HB1 PRO 64 5.335 -18.129 10.607 473 2HB PRO 64 HB2 PRO 64 5.027 -16.600 11.433 474 1HG PRO 64 HG1 PRO 64 3.166 -18.330 9.888 475 2HG PRO 64 HG2 PRO 64 2.843 -17.300 11.294 476 1HD PRO 64 HD1 PRO 64 2.062 -16.579 8.839 477 2HD PRO 64 HD2 PRO 64 2.666 -15.377 10.000 478 H GLN 65 HN GLN 65 5.053 -18.871 8.771 479 HA GLN 65 HA GLN 65 7.665 -19.143 7.494 480 1HB GLN 65 HB2 GLN 65 5.674 -21.020 8.670 481 2HB GLN 65 HB1 GLN 65 6.685 -21.628 7.365 482 1HG GLN 65 HG1 GLN 65 8.684 -21.024 8.630 483 2HG GLN 65 HG2 GLN 65 7.671 -20.414 9.938 484 1HE2 GLN 65 HE2 GLN 65 5.782 -22.264 10.252 485 2HE2 GLN 65 HE2 GLN 65 6.466 -23.792 10.681 486 H SER 66 HN SER 66 5.282 -17.727 6.333 487 HA SER 66 HA SER 66 5.040 -19.315 3.874 488 1HB SER 66 HB1 SER 66 3.035 -17.604 5.302 489 2HB SER 66 HB2 SER 66 2.887 -17.897 3.569 490 HG SER 66 HG SER 66 3.140 -19.963 5.495 491 H ILE 67 HN ILE 67 5.333 -18.364 1.923 492 HA ILE 67 HA ILE 67 6.346 -15.602 1.985 493 HB ILE 67 HB ILE 67 6.995 -17.667 -0.110 494 1HG1 ILE 67 HG1 ILE 67 8.934 -16.782 2.003 495 2HG1 ILE 67 HG1 ILE 67 7.793 -18.074 2.362 496 1HG2 ILE 67 HG2 ILE 67 8.869 -15.495 0.334 497 2HG2 ILE 67 HG2 ILE 67 7.258 -14.920 -0.101 498 3HG2 ILE 67 HG2 ILE 67 8.109 -16.047 -1.160 499 1HD1 ILE 67 HD1 ILE 67 10.268 -18.338 1.172 500 2HD1 ILE 67 HD1 ILE 67 9.129 -18.498 -0.165 501 3HD1 ILE 67 HD1 ILE 67 8.995 -19.557 1.238 502 H ASN 68 HN ASN 68 3.936 -15.208 1.868 503 HA ASN 68 HA ASN 68 2.911 -15.386 -0.877 504 1HB ASN 68 HB1 ASN 68 1.470 -14.647 1.680 505 2HB ASN 68 HB2 ASN 68 0.728 -14.779 0.088 506 1HD2 ASN 68 HD2 ASN 68 0.840 -16.284 2.871 507 2HD2 ASN 68 HD2 ASN 68 0.760 -17.937 2.373 508 H ASN 69 HN ASN 69 4.936 -13.733 -0.719 509 HA ASN 69 HA ASN 69 4.437 -11.120 0.154 510 1HB ASN 69 HB2 ASN 69 6.390 -12.218 -1.869 511 2HB ASN 69 HB1 ASN 69 6.400 -10.546 -1.319 512 1HD2 ASN 69 HD2 ASN 69 5.805 -13.502 0.530 513 2HD2 ASN 69 HD2 ASN 69 7.144 -13.306 1.602 514 H ILE 70 HN ILE 70 3.087 -9.669 -0.598 515 HA ILE 70 HA ILE 70 1.656 -9.740 -2.984 516 HB ILE 70 HB ILE 70 2.534 -7.325 -1.393 517 1HG1 ILE 70 HG1 ILE 70 1.148 -8.933 -0.136 518 2HG1 ILE 70 HG1 ILE 70 0.301 -7.413 -0.406 519 1HG2 ILE 70 HG2 ILE 70 1.200 -7.493 -3.929 520 2HG2 ILE 70 HG2 ILE 70 1.737 -6.072 -3.034 521 3HG2 ILE 70 HG2 ILE 70 0.143 -6.759 -2.724 522 1HD1 ILE 70 HD1 ILE 70 -1.179 -9.304 -0.704 523 2HD1 ILE 70 HD1 ILE 70 -0.113 -9.968 -1.943 524 3HD1 ILE 70 HD1 ILE 70 -0.956 -8.445 -2.229 525 HA PRO 71 HA PRO 71 5.272 -6.953 -4.844 526 1HB PRO 71 HB1 PRO 71 7.720 -7.549 -3.752 527 2HB PRO 71 HB2 PRO 71 6.740 -6.158 -3.280 528 1HG PRO 71 HG2 PRO 71 6.986 -8.834 -1.964 529 2HG PRO 71 HG1 PRO 71 6.956 -7.222 -1.225 530 1HD PRO 71 HD2 PRO 71 4.785 -8.780 -1.226 531 2HD PRO 71 HD1 PRO 71 4.651 -7.025 -1.457 532 H LEU 72 HN LEU 72 5.694 -10.218 -3.592 533 HA LEU 72 HA LEU 72 7.498 -11.225 -5.472 534 1HB LEU 72 HB1 LEU 72 6.371 -12.327 -3.370 535 2HB LEU 72 HB2 LEU 72 5.199 -12.896 -4.543 536 HG LEU 72 HG LEU 72 7.742 -13.492 -5.613 537 1HD1 LEU 72 HD2 LEU 72 8.731 -13.208 -3.433 538 2HD1 LEU 72 HD2 LEU 72 8.675 -14.924 -3.833 539 3HD1 LEU 72 HD2 LEU 72 7.503 -14.243 -2.704 540 1HD2 LEU 72 HD1 LEU 72 5.539 -15.119 -4.380 541 2HD2 LEU 72 HD1 LEU 72 6.962 -15.852 -5.120 542 3HD2 LEU 72 HD1 LEU 72 5.880 -14.851 -6.089 543 H ASP 73 HN ASP 73 4.018 -10.731 -5.634 544 HA ASP 73 HA ASP 73 3.566 -12.008 -8.115 545 1HB ASP 73 HB2 ASP 73 2.095 -10.218 -6.327 546 2HB ASP 73 HB1 ASP 73 1.746 -9.918 -8.027 547 H ALA 74 HN ALA 74 4.368 -8.674 -7.228 548 HA ALA 74 HA ALA 74 4.459 -7.680 -9.899 549 1HB ALA 74 HB1 ALA 74 4.364 -6.436 -7.572 550 2HB ALA 74 HB2 ALA 74 5.095 -5.683 -8.989 551 3HB ALA 74 HB3 ALA 74 6.118 -6.439 -7.767 552 H ARG 75 HN ARG 75 6.622 -9.480 -7.921 553 HA ARG 75 HA ARG 75 9.033 -8.855 -9.314 554 1HB ARG 75 HB1 ARG 75 9.098 -9.687 -7.025 555 2HB ARG 75 HB2 ARG 75 8.309 -11.179 -7.517 556 1HG ARG 75 HG2 ARG 75 10.368 -11.408 -9.102 557 2HG ARG 75 HG1 ARG 75 11.112 -10.277 -7.969 558 1HD ARG 75 HD1 ARG 75 11.035 -11.770 -6.218 559 2HD ARG 75 HD2 ARG 75 9.695 -12.679 -6.914 560 HE ARG 75 HE ARG 75 12.522 -12.996 -7.507 561 1HH1 ARG 75 HH2 ARG 75 9.228 -13.792 -8.323 562 2HH1 ARG 75 HH2 ARG 75 9.658 -15.207 -9.223 563 1HH2 ARG 75 HH1 ARG 75 13.096 -14.858 -8.690 564 2HH2 ARG 75 HH1 ARG 75 11.856 -15.813 -9.432 565 H ASN 76 HN ASN 76 6.534 -11.307 -9.576 566 HA ASN 76 HA ASN 76 7.843 -12.996 -11.419 567 1HB ASN 76 HB2 ASN 76 5.532 -13.178 -10.030 568 2HB ASN 76 HB1 ASN 76 4.895 -12.741 -11.613 569 1HD2 ASN 76 HD2 ASN 76 7.707 -14.700 -10.745 570 2HD2 ASN 76 HD2 ASN 76 7.163 -16.141 -11.527 571 H HIS 77 HN HIS 77 5.369 -10.480 -11.933 572 HA HIS 77 HA HIS 77 5.596 -10.499 -14.767 573 1HB HIS 77 HB1 HIS 77 4.109 -9.028 -12.751 574 2HB HIS 77 HB2 HIS 77 4.690 -7.959 -14.024 575 HD2 HIS 77 HD2 HIS 77 2.697 -11.375 -13.922 576 HE1 HIS 77 HE1 HIS 77 1.317 -8.944 -17.101 577 HE2 HIS 77 HE2 HIS 77 1.002 -11.141 -15.872 578 H GLY 78 HN GLY 78 7.289 -8.945 -12.179 579 1HA GLY 78 HA1 GLY 78 9.447 -8.071 -12.315 580 2HA GLY 78 HA2 GLY 78 9.279 -7.962 -14.060 581 H TYR 79 HN TYR 79 8.631 -6.407 -11.000 582 HA TYR 79 HA TYR 79 7.698 -3.988 -12.356 583 1HB TYR 79 HB2 TYR 79 6.857 -5.158 -10.035 584 2HB TYR 79 HB1 TYR 79 7.981 -3.953 -9.417 585 HD1 TYR 79 HD1 TYR 79 7.014 -2.344 -12.209 586 HD2 TYR 79 HD2 TYR 79 5.290 -3.712 -8.566 587 HE1 TYR 79 HE1 TYR 79 5.274 -0.617 -12.390 588 HE2 TYR 79 HE2 TYR 79 3.547 -1.989 -8.739 589 HH TYR 79 HH TYR 79 3.741 0.623 -10.812 590 H THR 80 HN THR 80 8.618 -2.169 -10.336 591 HA THR 80 HA THR 80 11.287 -1.741 -11.329 592 HB THR 80 HB THR 80 9.840 -0.153 -9.207 593 HG1 THR 80 HG1 THR 80 9.568 -0.182 -11.995 594 1HG2 THR 80 HG2 THR 80 12.291 0.259 -10.771 595 2HG2 THR 80 HG2 THR 80 11.827 0.880 -9.187 596 3HG2 THR 80 HG2 THR 80 11.206 1.644 -10.650 597 H VAL 81 HN VAL 81 10.408 -1.156 -7.964 598 HA VAL 81 HA VAL 81 12.670 -2.868 -7.169 599 HB VAL 81 HB VAL 81 11.555 -0.447 -5.746 600 1HG1 VAL 81 HG1 VAL 81 13.887 -0.888 -4.527 601 2HG1 VAL 81 HG1 VAL 81 13.479 -2.551 -4.948 602 3HG1 VAL 81 HG1 VAL 81 12.372 -1.593 -3.965 603 1HG2 VAL 81 HG2 VAL 81 13.452 0.739 -6.439 604 2HG2 VAL 81 HG2 VAL 81 12.924 -0.126 -7.881 605 3HG2 VAL 81 HG2 VAL 81 14.293 -0.726 -6.945 606 H LEU 82 HN LEU 82 12.275 -4.557 -5.918 607 HA LEU 82 HA LEU 82 9.732 -4.685 -4.441 608 1HB LEU 82 HB2 LEU 82 11.174 -6.905 -5.899 609 2HB LEU 82 HB1 LEU 82 9.823 -7.164 -4.813 610 HG LEU 82 HG LEU 82 8.895 -7.256 -6.967 611 1HD1 LEU 82 HD1 LEU 82 8.090 -5.311 -5.206 612 2HD1 LEU 82 HD1 LEU 82 7.192 -5.861 -6.621 613 3HD1 LEU 82 HD1 LEU 82 8.223 -4.434 -6.730 614 1HD2 LEU 82 HD2 LEU 82 10.063 -4.631 -7.793 615 2HD2 LEU 82 HD2 LEU 82 9.457 -5.954 -8.790 616 3HD2 LEU 82 HD2 LEU 82 11.000 -6.117 -7.953 617 H ASP 83 HN ASP 83 10.273 -4.411 -2.359 618 HA ASP 83 HA ASP 83 12.514 -6.011 -1.305 619 1HB ASP 83 HB1 ASP 83 12.544 -3.310 -1.399 620 2HB ASP 83 HB2 ASP 83 11.744 -3.543 0.152 621 H ILE 84 HN ILE 84 12.303 -6.606 0.985 622 HA ILE 84 HA ILE 84 9.573 -6.554 2.024 623 HB ILE 84 HB ILE 84 9.457 -8.907 2.437 624 1HG1 ILE 84 HG1 ILE 84 12.152 -9.157 1.079 625 2HG1 ILE 84 HG1 ILE 84 11.895 -9.256 2.817 626 1HG2 ILE 84 HG2 ILE 84 8.646 -8.192 0.282 627 2HG2 ILE 84 HG2 ILE 84 9.385 -9.788 0.141 628 3HG2 ILE 84 HG2 ILE 84 10.258 -8.360 -0.414 629 1HD1 ILE 84 HD1 ILE 84 10.853 -11.310 2.676 630 2HD1 ILE 84 HD1 ILE 84 12.109 -11.424 1.444 631 3HD1 ILE 84 HD1 ILE 84 10.440 -11.100 0.975 632 H GLN 85 HN GLN 85 9.527 -7.656 4.246 633 HA GLN 85 HA GLN 85 12.005 -7.565 5.730 634 1HB GLN 85 HB1 GLN 85 10.618 -5.206 5.543 635 2HB GLN 85 HB2 GLN 85 9.960 -5.894 7.021 636 1HG GLN 85 HG2 GLN 85 11.703 -4.922 8.012 637 2HG GLN 85 HG1 GLN 85 12.628 -6.285 7.381 638 1HE2 GLN 85 HE2 GLN 85 13.748 -3.803 7.972 639 2HE2 GLN 85 HE2 GLN 85 14.295 -3.080 6.501 640 H GLN 86 HN GLN 86 11.452 -7.950 8.172 641 HA GLN 86 HA GLN 86 9.082 -9.662 8.411 642 1HB GLN 86 HB1 GLN 86 11.539 -10.755 7.992 643 2HB GLN 86 HB2 GLN 86 11.499 -10.693 9.749 644 1HG GLN 86 HG1 GLN 86 9.288 -11.871 9.641 645 2HG GLN 86 HG2 GLN 86 9.577 -12.100 7.916 646 1HE2 GLN 86 HE2 GLN 86 9.408 -13.923 10.339 647 2HE2 GLN 86 HE2 GLN 86 10.807 -14.926 10.200 648 H ASP 87 HN ASP 87 8.118 -9.675 10.380 649 HA ASP 87 HA ASP 87 9.367 -8.029 12.482 650 1HB ASP 87 HB2 ASP 87 6.495 -8.248 11.596 651 2HB ASP 87 HB1 ASP 87 6.914 -7.659 13.202 652 H GLY 88 HN GLY 88 6.809 -8.938 14.041 653 1HA GLY 88 HA2 GLY 88 8.112 -11.090 15.412 654 2HA GLY 88 HA1 GLY 88 6.512 -10.450 15.759 655 HA PRO 89 HA PRO 89 5.175 -14.282 13.910 656 1HB PRO 89 HB2 PRO 89 2.586 -14.125 14.522 657 2HB PRO 89 HB1 PRO 89 3.804 -14.313 15.790 658 1HG PRO 89 HG2 PRO 89 2.327 -11.862 14.921 659 2HG PRO 89 HG1 PRO 89 2.766 -12.386 16.556 660 1HD PRO 89 HD2 PRO 89 4.158 -10.516 15.031 661 2HD PRO 89 HD1 PRO 89 4.805 -11.385 16.436 662 H THR 90 HN THR 90 5.179 -11.540 12.390 663 HA THR 90 HA THR 90 3.415 -12.471 10.238 664 HB THR 90 HB THR 90 2.544 -10.237 9.858 665 HG1 THR 90 HG1 THR 90 3.699 -9.270 12.211 666 1HG2 THR 90 HG2 THR 90 1.365 -11.623 11.543 667 2HG2 THR 90 HG2 THR 90 1.169 -9.885 11.768 668 3HG2 THR 90 HG2 THR 90 2.280 -10.789 12.800 669 H ILE 91 HN ILE 91 3.808 -11.032 8.216 670 HA ILE 91 HA ILE 91 6.616 -10.227 8.020 671 HB ILE 91 HB ILE 91 6.657 -12.479 7.187 672 1HG1 ILE 91 HG1 ILE 91 6.584 -10.815 4.687 673 2HG1 ILE 91 HG1 ILE 91 7.785 -10.496 5.933 674 1HG2 ILE 91 HG2 ILE 91 4.102 -12.333 6.600 675 2HG2 ILE 91 HG2 ILE 91 5.166 -13.450 5.738 676 3HG2 ILE 91 HG2 ILE 91 4.714 -11.910 5.002 677 1HD1 ILE 91 HD1 ILE 91 8.618 -11.939 4.129 678 2HD1 ILE 91 HD1 ILE 91 7.403 -13.143 4.560 679 3HD1 ILE 91 HD1 ILE 91 8.670 -12.719 5.711 680 H ARG 92 HN ARG 92 6.867 -8.353 6.959 681 HA ARG 92 HA ARG 92 4.598 -7.366 5.360 682 1HB ARG 92 HB1 ARG 92 4.483 -6.007 7.223 683 2HB ARG 92 HB2 ARG 92 6.216 -6.068 7.509 684 1HG ARG 92 HG2 ARG 92 6.336 -4.704 5.285 685 2HG ARG 92 HG1 ARG 92 4.659 -4.314 5.675 686 1HD ARG 92 HD2 ARG 92 6.754 -4.027 7.779 687 2HD ARG 92 HD1 ARG 92 6.617 -2.794 6.527 688 HE ARG 92 HE ARG 92 4.353 -3.548 8.258 689 1HH1 ARG 92 HH1 ARG 92 6.370 -1.156 6.722 690 2HH1 ARG 92 HH1 ARG 92 5.428 0.184 7.284 691 1HH2 ARG 92 HH2 ARG 92 3.110 -1.791 9.003 692 2HH2 ARG 92 HH2 ARG 92 3.575 -0.176 8.581 693 H TYR 93 HN TYR 93 5.024 -6.500 3.410 694 HA TYR 93 HA TYR 93 7.837 -6.108 2.647 695 1HB TYR 93 HB2 TYR 93 6.293 -6.838 0.362 696 2HB TYR 93 HB1 TYR 93 7.645 -7.697 1.088 697 HD1 TYR 93 HD1 TYR 93 3.984 -7.438 0.946 698 HD2 TYR 93 HD2 TYR 93 7.291 -9.609 2.507 699 HE1 TYR 93 HE1 TYR 93 2.470 -9.261 1.602 700 HE2 TYR 93 HE2 TYR 93 5.786 -11.437 3.167 701 HH TYR 93 HH TYR 93 3.085 -12.086 2.054 702 H LEU 94 HN LEU 94 8.073 -4.741 0.662 703 HA LEU 94 HA LEU 94 5.887 -2.941 0.060 704 1HB LEU 94 HB1 LEU 94 7.548 -0.969 0.546 705 2HB LEU 94 HB2 LEU 94 6.530 -1.623 1.815 706 HG LEU 94 HG LEU 94 9.190 -2.879 1.544 707 1HD1 LEU 94 HD1 LEU 94 10.396 -1.018 1.613 708 2HD1 LEU 94 HD1 LEU 94 9.635 -0.624 3.154 709 3HD1 LEU 94 HD1 LEU 94 8.939 -0.025 1.648 710 1HD2 LEU 94 HD2 LEU 94 7.252 -2.138 3.674 711 2HD2 LEU 94 HD2 LEU 94 8.951 -2.324 4.111 712 3HD2 LEU 94 HD2 LEU 94 8.076 -3.668 3.377 713 H ILE 95 HN ILE 95 6.284 -1.596 -1.781 714 HA ILE 95 HA ILE 95 8.758 -2.150 -3.259 715 HB ILE 95 HB ILE 95 7.814 -3.078 -5.074 716 1HG1 ILE 95 HG1 ILE 95 5.193 -2.475 -5.491 717 2HG1 ILE 95 HG1 ILE 95 5.725 -1.016 -4.658 718 1HG2 ILE 95 HG2 ILE 95 7.044 -4.661 -3.571 719 2HG2 ILE 95 HG2 ILE 95 5.592 -4.270 -4.492 720 3HG2 ILE 95 HG2 ILE 95 5.832 -3.577 -2.888 721 1HD1 ILE 95 HD1 ILE 95 6.557 -2.096 -7.304 722 2HD1 ILE 95 HD1 ILE 95 7.667 -1.075 -6.388 723 3HD1 ILE 95 HD1 ILE 95 6.079 -0.458 -6.849 724 H GLN 96 HN GLN 96 9.244 -0.583 -4.932 725 HA GLN 96 HA GLN 96 7.638 1.819 -5.063 726 1HB GLN 96 HB1 GLN 96 9.287 3.332 -4.203 727 2HB GLN 96 HB2 GLN 96 9.018 2.088 -2.990 728 1HG GLN 96 HG2 GLN 96 11.113 1.159 -4.609 729 2HG GLN 96 HG1 GLN 96 11.445 2.862 -4.292 730 1HE2 GLN 96 HE2 GLN 96 11.213 3.527 -1.980 731 2HE2 GLN 96 HE2 GLN 96 11.804 2.433 -0.780 732 H LYS 97 HN LYS 97 8.731 3.496 -6.492 733 HA LYS 97 HA LYS 97 10.414 2.189 -8.529 734 1HB LYS 97 HB1 LYS 97 8.414 2.467 -9.673 735 2HB LYS 97 HB2 LYS 97 8.008 3.945 -8.814 736 1HG LYS 97 HG2 LYS 97 8.884 5.199 -10.418 737 2HG LYS 97 HG1 LYS 97 10.404 4.305 -10.367 738 1HD LYS 97 HD1 LYS 97 9.069 2.496 -11.680 739 2HD LYS 97 HD2 LYS 97 7.986 3.836 -12.061 740 1HE LYS 97 HE2 LYS 97 9.371 4.255 -13.765 741 2HE LYS 97 HE1 LYS 97 10.465 4.908 -12.545 742 1HZ LYS 97 HZ1 LYS 97 11.901 3.384 -13.244 743 2HZ LYS 97 HZ2 LYS 97 10.733 2.559 -14.147 744 3HZ LYS 97 HZ3 LYS 97 10.926 2.218 -12.501 Start of MODEL 16 1 1H MET 1 HT1 MET 1 -30.862 -5.152 6.694 2 2H MET 1 HT2 MET 1 -30.157 -6.211 5.543 3 3H MET 1 HT3 MET 1 -29.658 -4.571 5.620 4 HA MET 1 HA MET 1 -28.689 -4.877 7.714 5 1HB MET 1 HB2 MET 1 -28.718 -7.172 8.730 6 2HB MET 1 HB1 MET 1 -30.286 -6.379 8.692 7 1HG MET 1 HG2 MET 1 -30.575 -7.684 6.455 8 2HG MET 1 HG1 MET 1 -29.300 -8.707 7.116 9 1HE MET 1 HE1 MET 1 -32.627 -7.530 6.917 10 2HE MET 1 HE2 MET 1 -33.510 -7.969 8.379 11 3HE MET 1 HE3 MET 1 -33.314 -9.145 7.080 12 H GLY 2 HN GLY 2 -26.529 -5.476 7.851 13 1HA GLY 2 HA2 GLY 2 -25.233 -6.095 5.417 14 2HA GLY 2 HA1 GLY 2 -24.468 -6.022 6.997 15 H SER 3 HN SER 3 -23.758 -7.878 5.019 16 HA SER 3 HA SER 3 -24.893 -10.405 5.988 17 1HB SER 3 HB2 SER 3 -24.998 -10.366 3.634 18 2HB SER 3 HB1 SER 3 -23.391 -9.654 3.487 19 HG SER 3 HG SER 3 -23.571 -11.970 3.026 20 H SER 4 HN SER 4 -21.836 -8.699 5.522 21 HA SER 4 HA SER 4 -20.561 -10.666 7.311 22 1HB SER 4 HB2 SER 4 -19.016 -9.081 5.270 23 2HB SER 4 HB1 SER 4 -18.559 -10.578 6.083 24 HG SER 4 HG SER 4 -19.201 -10.944 3.920 25 H HIS 5 HN HIS 5 -19.470 -7.544 6.017 26 HA HIS 5 HA HIS 5 -19.437 -6.487 8.762 27 1HB HIS 5 HB2 HIS 5 -17.294 -5.238 7.914 28 2HB HIS 5 HB1 HIS 5 -17.171 -6.891 8.505 29 HD2 HIS 5 HD2 HIS 5 -15.140 -7.773 6.950 30 HE1 HIS 5 HE1 HIS 5 -16.916 -6.799 3.235 31 HE2 HIS 5 HE2 HIS 5 -14.965 -7.956 4.368 32 H HIS 6 HN HIS 6 -21.239 -6.157 6.401 33 HA HIS 6 HA HIS 6 -20.808 -3.405 5.589 34 1HB HIS 6 HB2 HIS 6 -22.456 -5.655 4.691 35 2HB HIS 6 HB1 HIS 6 -23.305 -4.113 4.658 36 HD2 HIS 6 HD2 HIS 6 -19.543 -4.687 3.636 37 HE1 HIS 6 HE1 HIS 6 -21.737 -3.178 0.345 38 HE2 HIS 6 HE2 HIS 6 -19.438 -3.849 1.183 39 H HIS 7 HN HIS 7 -21.175 -3.743 8.365 40 HA HIS 7 HA HIS 7 -23.906 -2.956 8.962 41 1HB HIS 7 HB2 HIS 7 -21.544 -3.826 10.518 42 2HB HIS 7 HB1 HIS 7 -22.597 -2.664 11.318 43 HD2 HIS 7 HD2 HIS 7 -23.370 -5.994 9.317 44 HE1 HIS 7 HE1 HIS 7 -25.586 -5.872 12.921 45 HE2 HIS 7 HE2 HIS 7 -25.092 -7.214 10.826 46 H HIS 8 HN HIS 8 -24.584 -0.944 9.506 47 HA HIS 8 HA HIS 8 -22.979 1.273 8.705 48 1HB HIS 8 HB2 HIS 8 -25.665 0.845 8.910 49 2HB HIS 8 HB1 HIS 8 -25.371 1.841 10.333 50 HD2 HIS 8 HD2 HIS 8 -24.725 4.483 9.852 51 HE1 HIS 8 HE1 HIS 8 -25.228 4.240 5.656 52 HE2 HIS 8 HE2 HIS 8 -24.885 5.803 7.623 53 H HIS 9 HN HIS 9 -21.761 2.625 9.880 54 HA HIS 9 HA HIS 9 -21.606 2.135 12.775 55 1HB HIS 9 HB1 HIS 9 -19.353 3.178 12.624 56 2HB HIS 9 HB2 HIS 9 -19.508 1.732 11.632 57 HD2 HIS 9 HD2 HIS 9 -18.103 5.134 11.320 58 HE1 HIS 9 HE1 HIS 9 -19.269 4.039 7.400 59 HE2 HIS 9 HE2 HIS 9 -17.924 5.680 8.790 60 H HIS 10 HN HIS 10 -20.454 4.335 13.745 61 HA HIS 10 HA HIS 10 -22.072 6.621 12.878 62 1HB HIS 10 HB2 HIS 10 -22.763 5.127 15.084 63 2HB HIS 10 HB1 HIS 10 -21.802 6.422 15.792 64 HD2 HIS 10 HD2 HIS 10 -23.185 8.657 16.285 65 HE1 HIS 10 HE1 HIS 10 -26.429 7.877 13.680 66 HE2 HIS 10 HE2 HIS 10 -25.496 9.464 15.425 67 H SER 11 HN SER 11 -19.927 5.997 15.649 68 HA SER 11 HA SER 11 -18.168 8.139 14.646 69 1HB SER 11 HB1 SER 11 -17.706 8.730 17.002 70 2HB SER 11 HB2 SER 11 -19.417 8.900 16.611 71 HG SER 11 HG SER 11 -19.169 7.823 18.580 72 H SER 12 HN SER 12 -18.273 4.976 14.826 73 HA SER 12 HA SER 12 -15.973 4.230 16.294 74 1HB SER 12 HB2 SER 12 -16.603 2.547 13.968 75 2HB SER 12 HB1 SER 12 -16.528 2.125 15.679 76 HG SER 12 HG SER 12 -18.680 2.559 14.175 77 H GLY 13 HN GLY 13 -13.856 4.031 15.723 78 1HA GLY 13 HA2 GLY 13 -13.066 5.392 13.257 79 2HA GLY 13 HA1 GLY 13 -12.020 5.030 14.623 80 H LEU 14 HN LEU 14 -14.079 2.528 13.430 81 HA LEU 14 HA LEU 14 -11.721 1.069 12.506 82 1HB LEU 14 HB2 LEU 14 -14.094 0.358 13.890 83 2HB LEU 14 HB1 LEU 14 -14.126 -0.476 12.348 84 HG LEU 14 HG LEU 14 -13.127 -1.863 14.098 85 1HD1 LEU 14 HD1 LEU 14 -10.680 -1.747 12.817 86 2HD1 LEU 14 HD1 LEU 14 -11.817 -1.115 11.626 87 3HD1 LEU 14 HD1 LEU 14 -12.076 -2.710 12.332 88 1HD2 LEU 14 HD2 LEU 14 -10.602 -0.733 14.478 89 2HD2 LEU 14 HD2 LEU 14 -11.890 -0.906 15.670 90 3HD2 LEU 14 HD2 LEU 14 -11.752 0.581 14.732 91 H VAL 15 HN VAL 15 -14.494 2.689 11.299 92 HA VAL 15 HA VAL 15 -14.055 1.525 8.625 93 HB VAL 15 HB VAL 15 -16.528 3.066 9.307 94 1HG1 VAL 15 HG1 VAL 15 -16.971 0.787 7.683 95 2HG1 VAL 15 HG1 VAL 15 -15.533 1.610 7.077 96 3HG1 VAL 15 HG1 VAL 15 -17.054 2.490 7.231 97 1HG2 VAL 15 HG2 VAL 15 -17.186 0.366 9.574 98 2HG2 VAL 15 HG2 VAL 15 -17.162 1.589 10.844 99 3HG2 VAL 15 HG2 VAL 15 -15.737 0.592 10.552 100 HA PRO 16 HA PRO 16 -12.362 5.697 8.014 101 1HB PRO 16 HB1 PRO 16 -11.297 5.143 5.561 102 2HB PRO 16 HB2 PRO 16 -10.487 4.772 7.087 103 1HG PRO 16 HG1 PRO 16 -12.072 2.976 5.293 104 2HG PRO 16 HG2 PRO 16 -10.551 2.650 6.146 105 1HD PRO 16 HD1 PRO 16 -12.931 1.758 7.054 106 2HD PRO 16 HD2 PRO 16 -11.619 2.235 8.151 107 H ARG 17 HN ARG 17 -12.565 7.280 6.186 108 HA ARG 17 HA ARG 17 -15.287 7.435 5.362 109 1HB ARG 17 HB2 ARG 17 -13.153 9.225 5.660 110 2HB ARG 17 HB1 ARG 17 -13.545 9.265 3.947 111 1HG ARG 17 HG2 ARG 17 -15.876 9.764 4.493 112 2HG ARG 17 HG1 ARG 17 -15.474 9.735 6.211 113 1HD ARG 17 HD1 ARG 17 -13.621 11.478 5.241 114 2HD ARG 17 HD2 ARG 17 -15.002 11.810 4.196 115 HE ARG 17 HE ARG 17 -15.186 11.891 7.138 116 1HH1 ARG 17 HH1 ARG 17 -15.816 13.249 3.990 117 2HH1 ARG 17 HH1 ARG 17 -16.748 14.573 4.607 118 1HH2 ARG 17 HH2 ARG 17 -16.409 13.629 7.956 119 2HH2 ARG 17 HH2 ARG 17 -17.085 14.789 6.861 120 H GLY 18 HN GLY 18 -16.007 7.758 3.133 121 1HA GLY 18 HA2 GLY 18 -15.214 5.625 1.459 122 2HA GLY 18 HA1 GLY 18 -16.290 6.938 1.008 123 H SER 19 HN SER 19 -14.345 5.702 -0.677 124 HA SER 19 HA SER 19 -12.656 8.046 -1.229 125 1HB SER 19 HB1 SER 19 -11.850 5.144 -1.159 126 2HB SER 19 HB2 SER 19 -10.956 6.317 -2.126 127 HG SER 19 HG SER 19 -11.502 6.745 0.612 128 H HIS 20 HN HIS 20 -13.643 8.878 -2.973 129 HA HIS 20 HA HIS 20 -14.016 7.100 -5.290 130 1HB HIS 20 HB2 HIS 20 -16.122 8.101 -3.948 131 2HB HIS 20 HB1 HIS 20 -15.816 9.449 -5.040 132 HD2 HIS 20 HD2 HIS 20 -18.216 8.844 -6.369 133 HE1 HIS 20 HE1 HIS 20 -16.714 5.270 -8.071 134 HE2 HIS 20 HE2 HIS 20 -18.602 6.963 -8.115 135 H MET 21 HN MET 21 -11.848 8.961 -4.439 136 HA MET 21 HA MET 21 -11.999 11.008 -6.528 137 1HB MET 21 HB2 MET 21 -9.808 10.691 -4.481 138 2HB MET 21 HB1 MET 21 -10.215 12.121 -5.420 139 1HG MET 21 HG1 MET 21 -12.500 11.355 -3.913 140 2HG MET 21 HG2 MET 21 -11.103 11.393 -2.840 141 1HE MET 21 HE1 MET 21 -11.017 13.492 -1.400 142 2HE MET 21 HE2 MET 21 -12.744 13.224 -1.637 143 3HE MET 21 HE3 MET 21 -12.079 14.852 -1.767 144 H LYS 22 HN LYS 22 -9.390 11.416 -7.147 145 HA LYS 22 HA LYS 22 -8.424 8.842 -8.190 146 1HB LYS 22 HB2 LYS 22 -9.510 11.014 -9.706 147 2HB LYS 22 HB1 LYS 22 -7.798 10.871 -10.078 148 1HG LYS 22 HG1 LYS 22 -8.059 8.607 -10.773 149 2HG LYS 22 HG2 LYS 22 -9.721 8.560 -10.181 150 1HD LYS 22 HD2 LYS 22 -10.516 9.869 -11.916 151 2HD LYS 22 HD1 LYS 22 -8.932 10.579 -12.241 152 1HE LYS 22 HE1 LYS 22 -8.164 8.387 -13.087 153 2HE LYS 22 HE2 LYS 22 -9.792 7.752 -12.844 154 1HZ LYS 22 HZ1 LYS 22 -10.135 8.407 -14.933 155 2HZ LYS 22 HZ2 LYS 22 -8.769 9.405 -14.961 156 3HZ LYS 22 HZ3 LYS 22 -10.223 9.980 -14.314 157 H ASN 23 HN ASN 23 -6.458 8.503 -7.417 158 HA ASN 23 HA ASN 23 -4.817 10.710 -6.512 159 1HB ASN 23 HB2 ASN 23 -4.749 7.741 -6.244 160 2HB ASN 23 HB1 ASN 23 -3.229 8.614 -6.075 161 1HD2 ASN 23 HD2 ASN 23 -2.838 9.768 -4.262 162 2HD2 ASN 23 HD2 ASN 23 -3.915 9.847 -2.914 163 H ILE 24 HN ILE 24 -2.291 10.113 -6.973 164 HA ILE 24 HA ILE 24 -2.031 9.886 -9.899 165 HB ILE 24 HB ILE 24 -0.030 11.471 -9.595 166 1HG1 ILE 24 HG1 ILE 24 -1.622 12.373 -7.192 167 2HG1 ILE 24 HG1 ILE 24 -0.220 11.316 -7.048 168 1HG2 ILE 24 HG2 ILE 24 -2.286 13.206 -9.147 169 2HG2 ILE 24 HG2 ILE 24 -2.717 11.873 -10.219 170 3HG2 ILE 24 HG2 ILE 24 -1.359 12.924 -10.620 171 1HD1 ILE 24 HD1 ILE 24 0.438 13.579 -6.622 172 2HD1 ILE 24 HD1 ILE 24 -0.259 14.112 -8.151 173 3HD1 ILE 24 HD1 ILE 24 1.149 13.051 -8.146 174 H VAL 25 HN VAL 25 -1.296 8.497 -7.026 175 HA VAL 25 HA VAL 25 1.011 7.110 -8.179 176 HB VAL 25 HB VAL 25 1.997 7.085 -5.791 177 1HG1 VAL 25 HG1 VAL 25 2.297 9.812 -6.861 178 2HG1 VAL 25 HG1 VAL 25 2.584 8.505 -8.008 179 3HG1 VAL 25 HG1 VAL 25 3.516 8.588 -6.514 180 1HG2 VAL 25 HG2 VAL 25 1.422 9.553 -4.879 181 2HG2 VAL 25 HG2 VAL 25 0.612 8.090 -4.320 182 3HG2 VAL 25 HG2 VAL 25 -0.142 9.099 -5.554 183 HA PRO 26 HA PRO 26 -1.144 3.463 -6.941 184 1HB PRO 26 HB1 PRO 26 1.537 2.345 -6.326 185 2HB PRO 26 HB2 PRO 26 0.280 1.730 -7.403 186 1HG PRO 26 HG1 PRO 26 2.474 2.879 -8.386 187 2HG PRO 26 HG2 PRO 26 0.889 3.147 -9.135 188 1HD PRO 26 HD2 PRO 26 2.471 4.946 -7.342 189 2HD PRO 26 HD1 PRO 26 1.491 5.351 -8.767 190 H ASP 27 HN ASP 27 1.729 3.113 -4.924 191 HA ASP 27 HA ASP 27 1.903 2.581 -2.721 192 1HB ASP 27 HB1 ASP 27 1.232 4.414 -1.212 193 2HB ASP 27 HB2 ASP 27 2.073 4.999 -2.647 194 H TYR 28 HN TYR 28 0.568 0.664 -3.045 195 HA TYR 28 HA TYR 28 -2.124 0.918 -1.857 196 1HB TYR 28 HB1 TYR 28 -0.921 -0.904 -3.846 197 2HB TYR 28 HB2 TYR 28 -2.039 -1.653 -2.710 198 HD1 TYR 28 HD1 TYR 28 -4.332 -1.546 -3.105 199 HD2 TYR 28 HD2 TYR 28 -1.763 1.211 -5.080 200 HE1 TYR 28 HE1 TYR 28 -6.233 -0.740 -4.440 201 HE2 TYR 28 HE2 TYR 28 -3.658 2.025 -6.420 202 HH TYR 28 HH TYR 28 -6.797 1.499 -5.678 203 H ARG 29 HN ARG 29 -2.832 -0.841 -0.372 204 HA ARG 29 HA ARG 29 -0.592 -1.940 1.180 205 1HB ARG 29 HB1 ARG 29 -1.854 -1.337 3.269 206 2HB ARG 29 HB2 ARG 29 -1.193 0.026 2.377 207 1HG ARG 29 HG1 ARG 29 -3.260 0.775 1.715 208 2HG ARG 29 HG2 ARG 29 -4.002 -0.819 1.861 209 1HD ARG 29 HD2 ARG 29 -4.821 -0.120 3.811 210 2HD ARG 29 HD1 ARG 29 -3.176 -0.253 4.432 211 HE ARG 29 HE ARG 29 -2.981 2.048 4.370 212 1HH1 ARG 29 HH2 ARG 29 -5.942 1.044 2.833 213 2HH1 ARG 29 HH2 ARG 29 -6.604 2.643 2.772 214 1HH2 ARG 29 HH1 ARG 29 -3.845 4.157 4.295 215 2HH2 ARG 29 HH1 ARG 29 -5.412 4.413 3.604 216 H LEU 30 HN LEU 30 -0.948 -3.813 2.297 217 HA LEU 30 HA LEU 30 -3.564 -5.125 2.055 218 1HB LEU 30 HB2 LEU 30 -1.561 -5.831 0.398 219 2HB LEU 30 HB1 LEU 30 -1.130 -6.812 1.780 220 HG LEU 30 HG LEU 30 -3.076 -7.335 -0.275 221 1HD1 LEU 30 HD2 LEU 30 -3.112 -9.542 0.928 222 2HD1 LEU 30 HD2 LEU 30 -2.034 -8.831 2.130 223 3HD1 LEU 30 HD2 LEU 30 -1.514 -8.970 0.451 224 1HD2 LEU 30 HD1 LEU 30 -4.992 -7.970 1.029 225 2HD2 LEU 30 HD1 LEU 30 -4.661 -6.267 1.347 226 3HD2 LEU 30 HD1 LEU 30 -4.203 -7.491 2.532 227 H ASP 31 HN ASP 31 -3.923 -4.711 4.270 228 HA ASP 31 HA ASP 31 -1.937 -5.751 6.147 229 1HB ASP 31 HB2 ASP 31 -2.903 -3.404 6.330 230 2HB ASP 31 HB1 ASP 31 -4.411 -4.165 6.830 231 H MET 32 HN MET 32 -2.885 -7.911 5.161 232 HA MET 32 HA MET 32 -4.739 -8.909 7.190 233 1HB MET 32 HB1 MET 32 -5.080 -9.255 4.217 234 2HB MET 32 HB2 MET 32 -5.860 -10.309 5.388 235 1HG MET 32 HG1 MET 32 -6.983 -8.360 6.370 236 2HG MET 32 HG2 MET 32 -6.233 -7.333 5.150 237 1HE MET 32 HE1 MET 32 -9.426 -6.793 4.302 238 2HE MET 32 HE2 MET 32 -8.971 -7.331 5.918 239 3HE MET 32 HE3 MET 32 -10.177 -8.229 4.997 240 H VAL 33 HN VAL 33 -4.218 -11.026 4.607 241 HA VAL 33 HA VAL 33 -1.890 -12.276 5.839 242 HB VAL 33 HB VAL 33 -4.028 -13.362 6.679 243 1HG1 VAL 33 HG2 VAL 33 -5.595 -14.095 5.285 244 2HG1 VAL 33 HG2 VAL 33 -4.414 -14.981 4.322 245 3HG1 VAL 33 HG2 VAL 33 -4.725 -13.277 3.987 246 1HG2 VAL 33 HG1 VAL 33 -1.870 -14.506 6.723 247 2HG2 VAL 33 HG1 VAL 33 -2.144 -15.094 5.083 248 3HG2 VAL 33 HG1 VAL 33 -3.187 -15.633 6.400 249 H GLY 34 HN GLY 34 -0.958 -13.937 4.330 250 1HA GLY 34 HA1 GLY 34 -1.192 -12.904 1.600 251 2HA GLY 34 HA2 GLY 34 0.126 -13.866 2.231 252 H GLU 35 HN GLU 35 -3.257 -13.980 1.250 253 HA GLU 35 HA GLU 35 -3.070 -16.886 0.918 254 1HB GLU 35 HB1 GLU 35 -5.392 -16.983 1.066 255 2HB GLU 35 HB2 GLU 35 -4.993 -15.678 2.174 256 1HG GLU 35 HG2 GLU 35 -5.397 -14.146 0.130 257 2HG GLU 35 HG1 GLU 35 -6.249 -15.542 -0.529 258 HA PRO 36 HA PRO 36 -2.894 -16.741 -3.477 259 1HB PRO 36 HB2 PRO 36 -5.016 -18.763 -3.721 260 2HB PRO 36 HB1 PRO 36 -3.305 -18.875 -4.146 261 1HG PRO 36 HG1 PRO 36 -4.324 -20.193 -2.039 262 2HG PRO 36 HG2 PRO 36 -2.681 -19.521 -2.018 263 1HD PRO 36 HD2 PRO 36 -5.191 -18.429 -0.796 264 2HD PRO 36 HD1 PRO 36 -3.552 -18.506 -0.117 265 H CYS 37 HN CYS 37 -5.841 -16.072 -1.892 266 HA CYS 37 HA CYS 37 -6.962 -14.956 -4.378 267 1HB CYS 37 HB1 CYS 37 -9.113 -15.134 -2.692 268 2HB CYS 37 HB2 CYS 37 -8.699 -16.321 -3.926 269 HG CYS 37 HG CYS 37 -7.278 -17.189 -1.516 270 HA PRO 38 HA PRO 38 -6.369 -11.425 -1.469 271 1HB PRO 38 HB1 PRO 38 -4.571 -10.009 -2.833 272 2HB PRO 38 HB2 PRO 38 -4.086 -11.433 -1.906 273 1HG PRO 38 HG1 PRO 38 -4.475 -11.124 -4.849 274 2HG PRO 38 HG2 PRO 38 -3.259 -12.067 -3.970 275 1HD PRO 38 HD2 PRO 38 -5.622 -13.068 -5.090 276 2HD PRO 38 HD1 PRO 38 -4.604 -13.895 -3.896 277 H TYR 39 HN TYR 39 -6.183 -8.919 -2.310 278 HA TYR 39 HA TYR 39 -8.022 -8.522 -4.541 279 1HB TYR 39 HB2 TYR 39 -9.175 -8.587 -2.178 280 2HB TYR 39 HB1 TYR 39 -8.540 -6.951 -2.050 281 HD1 TYR 39 HD1 TYR 39 -10.551 -9.108 -4.335 282 HD2 TYR 39 HD2 TYR 39 -9.775 -5.179 -2.898 283 HE1 TYR 39 HE1 TYR 39 -12.472 -8.266 -5.618 284 HE2 TYR 39 HE2 TYR 39 -11.695 -4.327 -4.177 285 HH TYR 39 HH TYR 39 -12.973 -5.124 -6.333 286 HA PRO 40 HA PRO 40 -5.813 -4.316 -3.552 287 1HB PRO 40 HB1 PRO 40 -3.761 -5.115 -1.578 288 2HB PRO 40 HB2 PRO 40 -4.800 -3.686 -1.608 289 1HG PRO 40 HG2 PRO 40 -5.250 -5.644 0.133 290 2HG PRO 40 HG1 PRO 40 -6.600 -4.818 -0.668 291 1HD PRO 40 HD1 PRO 40 -5.364 -7.481 -1.311 292 2HD PRO 40 HD2 PRO 40 -7.082 -7.041 -1.198 293 H ALA 41 HN ALA 41 -3.956 -7.326 -3.407 294 HA ALA 41 HA ALA 41 -1.624 -6.341 -4.689 295 1HB ALA 41 HB1 ALA 41 -2.564 -9.175 -4.922 296 2HB ALA 41 HB2 ALA 41 -1.883 -8.538 -3.425 297 3HB ALA 41 HB3 ALA 41 -0.914 -8.545 -4.902 298 H VAL 42 HN VAL 42 -4.746 -6.986 -5.764 299 HA VAL 42 HA VAL 42 -4.285 -7.754 -8.450 300 HB VAL 42 HB VAL 42 -6.548 -6.166 -7.231 301 1HG1 VAL 42 HG1 VAL 42 -5.934 -6.754 -10.049 302 2HG1 VAL 42 HG1 VAL 42 -6.944 -5.491 -9.344 303 3HG1 VAL 42 HG1 VAL 42 -7.582 -7.123 -9.538 304 1HG2 VAL 42 HG2 VAL 42 -5.925 -8.991 -7.522 305 2HG2 VAL 42 HG2 VAL 42 -7.508 -8.571 -8.176 306 3HG2 VAL 42 HG2 VAL 42 -7.120 -8.195 -6.498 307 H ALA 43 HN ALA 43 -3.952 -4.795 -6.716 308 HA ALA 43 HA ALA 43 -3.784 -3.061 -9.000 309 1HB ALA 43 HB1 ALA 43 -4.267 -1.717 -7.261 310 2HB ALA 43 HB2 ALA 43 -2.518 -1.696 -7.037 311 3HB ALA 43 HB3 ALA 43 -3.516 -2.795 -6.085 312 H THR 44 HN THR 44 -1.616 -5.019 -7.098 313 HA THR 44 HA THR 44 0.853 -3.963 -7.687 314 HB THR 44 HB THR 44 0.375 -6.925 -7.691 315 HG1 THR 44 HG1 THR 44 0.218 -6.842 -5.480 316 1HG2 THR 44 HG2 THR 44 2.693 -6.023 -7.958 317 2HG2 THR 44 HG2 THR 44 2.447 -7.093 -6.579 318 3HG2 THR 44 HG2 THR 44 2.537 -5.349 -6.337 319 H LEU 45 HN LEU 45 -0.499 -6.771 -9.407 320 HA LEU 45 HA LEU 45 1.308 -6.641 -11.549 321 1HB LEU 45 HB1 LEU 45 -1.413 -7.906 -11.289 322 2HB LEU 45 HB2 LEU 45 -0.434 -8.069 -12.733 323 HG LEU 45 HG LEU 45 0.294 -9.032 -9.963 324 1HD1 LEU 45 HD1 LEU 45 0.123 -11.254 -10.943 325 2HD1 LEU 45 HD1 LEU 45 -0.366 -10.548 -12.483 326 3HD1 LEU 45 HD1 LEU 45 -1.409 -10.389 -11.069 327 1HD2 LEU 45 HD2 LEU 45 1.913 -8.521 -12.330 328 2HD2 LEU 45 HD2 LEU 45 2.047 -10.176 -11.736 329 3HD2 LEU 45 HD2 LEU 45 2.402 -8.823 -10.662 330 H GLU 46 HN GLU 46 -1.972 -5.354 -11.204 331 HA GLU 46 HA GLU 46 -2.227 -4.406 -13.849 332 1HB GLU 46 HB2 GLU 46 -4.283 -4.488 -12.861 333 2HB GLU 46 HB1 GLU 46 -3.659 -4.048 -11.279 334 1HG GLU 46 HG2 GLU 46 -3.531 -1.722 -11.948 335 2HG GLU 46 HG1 GLU 46 -4.094 -2.142 -13.566 336 H ALA 47 HN ALA 47 -0.433 -3.276 -11.175 337 HA ALA 47 HA ALA 47 -0.378 -0.503 -11.845 338 1HB ALA 47 HB1 ALA 47 0.695 -2.174 -9.788 339 2HB ALA 47 HB2 ALA 47 0.477 -0.423 -9.803 340 3HB ALA 47 HB3 ALA 47 1.967 -1.132 -10.428 341 H MET 48 HN MET 48 1.658 -3.277 -12.612 342 HA MET 48 HA MET 48 3.890 -2.103 -13.638 343 1HB MET 48 HB1 MET 48 2.413 -4.480 -14.777 344 2HB MET 48 HB2 MET 48 4.061 -4.038 -15.201 345 1HG MET 48 HG1 MET 48 3.778 -4.202 -12.351 346 2HG MET 48 HG2 MET 48 3.214 -5.687 -13.115 347 1HE MET 48 HE1 MET 48 5.506 -7.392 -12.248 348 2HE MET 48 HE2 MET 48 5.125 -6.013 -11.216 349 3HE MET 48 HE3 MET 48 6.795 -6.325 -11.691 350 HA PRO 49 HA PRO 49 1.900 -1.390 -17.980 351 1HB PRO 49 HB2 PRO 49 -0.821 -1.334 -18.100 352 2HB PRO 49 HB1 PRO 49 0.137 -2.780 -18.436 353 1HG PRO 49 HG2 PRO 49 -1.313 -2.003 -15.937 354 2HG PRO 49 HG1 PRO 49 -1.218 -3.586 -16.730 355 1HD PRO 49 HD2 PRO 49 0.275 -2.961 -14.564 356 2HD PRO 49 HD1 PRO 49 0.862 -4.046 -15.841 357 H GLN 50 HN GLN 50 -0.533 -0.373 -15.575 358 HA GLN 50 HA GLN 50 -0.593 2.311 -16.550 359 1HB GLN 50 HB2 GLN 50 -2.206 2.730 -14.860 360 2HB GLN 50 HB1 GLN 50 -2.506 1.096 -15.433 361 1HG GLN 50 HG1 GLN 50 -1.788 0.130 -13.483 362 2HG GLN 50 HG2 GLN 50 -0.754 1.493 -13.059 363 1HE2 GLN 50 HE2 GLN 50 -2.662 3.539 -13.433 364 2HE2 GLN 50 HE2 GLN 50 -3.836 3.408 -12.173 365 H LEU 51 HN LEU 51 1.985 1.082 -15.354 366 HA LEU 51 HA LEU 51 2.753 2.155 -12.988 367 1HB LEU 51 HB2 LEU 51 4.886 1.712 -13.621 368 2HB LEU 51 HB1 LEU 51 4.053 0.853 -14.899 369 HG LEU 51 HG LEU 51 4.389 3.482 -15.834 370 1HD1 LEU 51 HD1 LEU 51 7.052 3.249 -15.708 371 2HD1 LEU 51 HD1 LEU 51 6.627 2.570 -14.136 372 3HD1 LEU 51 HD1 LEU 51 6.112 4.203 -14.559 373 1HD2 LEU 51 HD2 LEU 51 4.862 0.824 -16.634 374 2HD2 LEU 51 HD2 LEU 51 6.368 1.708 -16.884 375 3HD2 LEU 51 HD2 LEU 51 4.876 2.278 -17.632 376 H LYS 52 HN LYS 52 3.786 4.072 -12.299 377 HA LYS 52 HA LYS 52 3.333 6.418 -14.017 378 1HB LYS 52 HB2 LYS 52 2.838 6.384 -11.039 379 2HB LYS 52 HB1 LYS 52 2.470 7.681 -12.167 380 1HG LYS 52 HG1 LYS 52 1.023 5.694 -13.257 381 2HG LYS 52 HG2 LYS 52 0.981 5.217 -11.558 382 1HD LYS 52 HD1 LYS 52 -0.352 6.933 -10.982 383 2HD LYS 52 HD2 LYS 52 0.503 8.071 -12.025 384 1HE LYS 52 HE1 LYS 52 -0.677 6.640 -13.918 385 2HE LYS 52 HE2 LYS 52 -1.824 6.323 -12.617 386 1HZ LYS 52 HZ1 LYS 52 -2.598 8.407 -12.684 387 2HZ LYS 52 HZ2 LYS 52 -1.918 8.458 -14.232 388 3HZ LYS 52 HZ3 LYS 52 -1.071 9.097 -12.914 389 H LYS 53 HN LYS 53 4.373 8.420 -12.754 390 HA LYS 53 HA LYS 53 7.186 7.750 -12.534 391 1HB LYS 53 HB1 LYS 53 5.614 10.104 -13.208 392 2HB LYS 53 HB2 LYS 53 6.912 10.484 -12.085 393 1HG LYS 53 HG1 LYS 53 8.467 9.285 -13.674 394 2HG LYS 53 HG2 LYS 53 7.130 9.279 -14.827 395 1HD LYS 53 HD2 LYS 53 7.007 11.788 -14.487 396 2HD LYS 53 HD1 LYS 53 8.552 11.651 -13.644 397 1HE LYS 53 HE1 LYS 53 9.645 11.617 -15.574 398 2HE LYS 53 HE2 LYS 53 8.700 10.232 -16.119 399 1HZ LYS 53 HZ1 LYS 53 7.037 12.418 -16.353 400 2HZ LYS 53 HZ2 LYS 53 7.793 11.576 -17.609 401 3HZ LYS 53 HZ3 LYS 53 8.534 12.940 -16.939 402 H GLY 54 HN GLY 54 6.368 6.550 -10.452 403 1HA GLY 54 HA2 GLY 54 7.603 7.235 -8.245 404 2HA GLY 54 HA1 GLY 54 6.264 8.369 -8.156 405 H GLU 55 HN GLU 55 6.293 4.994 -9.245 406 HA GLU 55 HA GLU 55 3.924 4.350 -7.846 407 1HB GLU 55 HB2 GLU 55 4.390 3.039 -9.742 408 2HB GLU 55 HB1 GLU 55 6.038 2.716 -9.229 409 1HG GLU 55 HG2 GLU 55 5.443 0.907 -8.088 410 2HG GLU 55 HG1 GLU 55 4.063 1.717 -7.348 411 H ILE 56 HN ILE 56 3.611 2.986 -6.061 412 HA ILE 56 HA ILE 56 5.849 2.283 -4.372 413 HB ILE 56 HB ILE 56 3.967 4.513 -3.686 414 1HG1 ILE 56 HG1 ILE 56 6.616 4.633 -2.550 415 2HG1 ILE 56 HG1 ILE 56 6.710 4.292 -4.275 416 1HG2 ILE 56 HG2 ILE 56 5.367 2.765 -1.668 417 2HG2 ILE 56 HG2 ILE 56 3.624 2.919 -1.893 418 3HG2 ILE 56 HG2 ILE 56 4.562 4.295 -1.312 419 1HD1 ILE 56 HD1 ILE 56 5.233 6.259 -4.666 420 2HD1 ILE 56 HD1 ILE 56 6.809 6.647 -3.977 421 3HD1 ILE 56 HD1 ILE 56 5.377 6.635 -2.949 422 H LEU 57 HN LEU 57 5.196 0.938 -2.563 423 HA LEU 57 HA LEU 57 2.441 -0.002 -2.569 424 1HB LEU 57 HB2 LEU 57 4.018 -1.324 -4.162 425 2HB LEU 57 HB1 LEU 57 4.601 -2.056 -2.700 426 HG LEU 57 HG LEU 57 2.448 -2.991 -2.231 427 1HD1 LEU 57 HD2 LEU 57 0.762 -1.581 -2.782 428 2HD1 LEU 57 HD2 LEU 57 0.712 -2.605 -4.217 429 3HD1 LEU 57 HD2 LEU 57 1.543 -1.050 -4.272 430 1HD2 LEU 57 HD1 LEU 57 3.932 -3.560 -4.574 431 2HD2 LEU 57 HD1 LEU 57 2.223 -3.768 -4.953 432 3HD2 LEU 57 HD1 LEU 57 2.942 -4.654 -3.608 433 H GLU 58 HN GLU 58 1.993 -1.458 -0.817 434 HA GLU 58 HA GLU 58 3.985 -1.652 1.217 435 1HB GLU 58 HB2 GLU 58 1.494 -0.611 2.381 436 2HB GLU 58 HB1 GLU 58 3.160 -0.197 2.754 437 1HG GLU 58 HG1 GLU 58 3.185 1.568 1.350 438 2HG GLU 58 HG2 GLU 58 2.109 0.807 0.176 439 H VAL 59 HN VAL 59 3.643 -3.383 2.590 440 HA VAL 59 HA VAL 59 1.077 -4.783 2.410 441 HB VAL 59 HB VAL 59 3.697 -6.236 2.050 442 1HG1 VAL 59 HG1 VAL 59 1.850 -7.501 3.104 443 2HG1 VAL 59 HG1 VAL 59 2.319 -8.150 1.532 444 3HG1 VAL 59 HG1 VAL 59 0.855 -7.179 1.684 445 1HG2 VAL 59 HG2 VAL 59 2.911 -6.599 -0.293 446 2HG2 VAL 59 HG2 VAL 59 3.358 -4.932 0.074 447 3HG2 VAL 59 HG2 VAL 59 1.657 -5.392 -0.002 448 H VAL 60 HN VAL 60 0.540 -5.993 4.186 449 HA VAL 60 HA VAL 60 2.431 -6.408 6.330 450 HB VAL 60 HB VAL 60 0.391 -5.357 7.819 451 1HG1 VAL 60 HG2 VAL 60 3.100 -4.954 7.466 452 2HG1 VAL 60 HG2 VAL 60 2.089 -4.220 8.711 453 3HG1 VAL 60 HG2 VAL 60 2.403 -3.355 7.206 454 1HG2 VAL 60 HG1 VAL 60 -0.446 -3.395 6.946 455 2HG2 VAL 60 HG1 VAL 60 -0.416 -4.430 5.518 456 3HG2 VAL 60 HG1 VAL 60 0.859 -3.237 5.770 457 H SER 61 HN SER 61 2.055 -8.580 6.248 458 HA SER 61 HA SER 61 -0.510 -9.483 7.262 459 1HB SER 61 HB1 SER 61 0.281 -11.167 5.026 460 2HB SER 61 HB2 SER 61 -1.284 -10.431 5.375 461 HG SER 61 HG SER 61 -0.457 -8.484 4.461 462 H ASP 62 HN ASP 62 -0.417 -12.038 7.304 463 HA ASP 62 HA ASP 62 2.241 -12.772 8.358 464 1HB ASP 62 HB2 ASP 62 0.626 -14.500 9.647 465 2HB ASP 62 HB1 ASP 62 1.050 -12.918 10.294 466 H CYS 63 HN CYS 63 3.139 -14.675 7.720 467 HA CYS 63 HA CYS 63 1.607 -16.713 6.397 468 1HB CYS 63 HB2 CYS 63 2.493 -16.553 4.219 469 2HB CYS 63 HB1 CYS 63 2.052 -14.901 4.638 470 HG CYS 63 HG CYS 63 4.340 -14.337 4.005 471 HA PRO 64 HA PRO 64 4.910 -19.079 8.168 472 1HB PRO 64 HB1 PRO 64 4.198 -21.225 6.294 473 2HB PRO 64 HB2 PRO 64 4.092 -21.196 8.056 474 1HG PRO 64 HG1 PRO 64 1.901 -21.137 6.494 475 2HG PRO 64 HG2 PRO 64 1.976 -20.285 8.048 476 1HD PRO 64 HD2 PRO 64 2.268 -19.195 5.274 477 2HD PRO 64 HD1 PRO 64 1.407 -18.511 6.668 478 H GLN 65 HN GLN 65 4.683 -18.259 4.861 479 HA GLN 65 HA GLN 65 7.275 -19.435 4.200 480 1HB GLN 65 HB2 GLN 65 5.419 -17.849 2.418 481 2HB GLN 65 HB1 GLN 65 6.792 -18.824 1.912 482 1HG GLN 65 HG2 GLN 65 5.654 -20.840 2.650 483 2HG GLN 65 HG1 GLN 65 4.288 -19.876 3.208 484 1HE2 GLN 65 HE2 GLN 65 3.785 -21.859 1.488 485 2HE2 GLN 65 HE2 GLN 65 3.404 -21.239 -0.080 486 H SER 66 HN SER 66 8.063 -17.515 2.271 487 HA SER 66 HA SER 66 8.850 -15.294 4.038 488 1HB SER 66 HB2 SER 66 10.373 -16.350 1.644 489 2HB SER 66 HB1 SER 66 10.935 -15.162 2.821 490 HG SER 66 HG SER 66 11.669 -17.400 3.117 491 H ILE 67 HN ILE 67 6.943 -16.030 1.429 492 HA ILE 67 HA ILE 67 7.033 -13.242 0.492 493 HB ILE 67 HB ILE 67 8.095 -14.813 -1.150 494 1HG1 ILE 67 HG1 ILE 67 5.611 -13.732 -2.417 495 2HG1 ILE 67 HG1 ILE 67 6.708 -12.610 -1.619 496 1HG2 ILE 67 HG2 ILE 67 5.896 -16.407 -0.588 497 2HG2 ILE 67 HG2 ILE 67 7.097 -16.670 -1.853 498 3HG2 ILE 67 HG2 ILE 67 5.601 -15.810 -2.221 499 1HD1 ILE 67 HD1 ILE 67 8.410 -14.095 -3.154 500 2HD1 ILE 67 HD1 ILE 67 7.746 -12.518 -3.581 501 3HD1 ILE 67 HD1 ILE 67 6.968 -13.988 -4.165 502 H ASN 68 HN ASN 68 5.053 -12.351 -0.198 503 HA ASN 68 HA ASN 68 2.690 -13.845 0.729 504 1HB ASN 68 HB1 ASN 68 3.566 -11.068 1.117 505 2HB ASN 68 HB2 ASN 68 1.877 -11.230 0.642 506 1HD2 ASN 68 HD2 ASN 68 1.946 -10.206 2.925 507 2HD2 ASN 68 HD2 ASN 68 1.732 -11.319 4.228 508 H ASN 69 HN ASN 69 0.678 -12.345 -0.311 509 HA ASN 69 HA ASN 69 0.637 -13.253 -3.006 510 1HB ASN 69 HB1 ASN 69 -1.625 -12.220 -3.070 511 2HB ASN 69 HB2 ASN 69 -1.392 -13.306 -1.704 512 1HD2 ASN 69 HD2 ASN 69 -2.035 -10.107 -2.720 513 2HD2 ASN 69 HD2 ASN 69 -2.244 -9.410 -1.155 514 H ILE 70 HN ILE 70 0.425 -9.941 -1.634 515 HA ILE 70 HA ILE 70 0.391 -8.604 -4.071 516 HB ILE 70 HB ILE 70 1.721 -7.473 -1.621 517 1HG1 ILE 70 HG1 ILE 70 -0.983 -8.371 -1.837 518 2HG1 ILE 70 HG1 ILE 70 -0.227 -7.495 -0.516 519 1HG2 ILE 70 HG2 ILE 70 1.944 -6.270 -3.781 520 2HG2 ILE 70 HG2 ILE 70 1.102 -5.346 -2.537 521 3HG2 ILE 70 HG2 ILE 70 0.185 -6.119 -3.835 522 1HD1 ILE 70 HD1 ILE 70 -1.357 -6.106 -2.922 523 2HD1 ILE 70 HD1 ILE 70 -0.929 -5.417 -1.356 524 3HD1 ILE 70 HD1 ILE 70 -2.321 -6.492 -1.498 525 HA PRO 71 HA PRO 71 5.238 -8.128 -3.728 526 1HB PRO 71 HB2 PRO 71 6.486 -10.170 -2.394 527 2HB PRO 71 HB1 PRO 71 6.073 -8.618 -1.659 528 1HG PRO 71 HG1 PRO 71 4.594 -11.221 -1.547 529 2HG PRO 71 HG2 PRO 71 4.933 -10.073 -0.238 530 1HD PRO 71 HD1 PRO 71 2.537 -10.152 -1.421 531 2HD PRO 71 HD2 PRO 71 3.265 -8.609 -0.922 532 H LEU 72 HN LEU 72 3.996 -11.458 -3.622 533 HA LEU 72 HA LEU 72 5.810 -12.581 -5.434 534 1HB LEU 72 HB1 LEU 72 4.257 -13.845 -3.951 535 2HB LEU 72 HB2 LEU 72 2.931 -13.381 -5.000 536 HG LEU 72 HG LEU 72 4.956 -14.586 -6.607 537 1HD1 LEU 72 HD1 LEU 72 5.805 -16.228 -5.386 538 2HD1 LEU 72 HD1 LEU 72 4.181 -16.828 -5.051 539 3HD1 LEU 72 HD1 LEU 72 4.923 -15.643 -3.976 540 1HD2 LEU 72 HD2 LEU 72 3.057 -16.315 -6.832 541 2HD2 LEU 72 HD2 LEU 72 2.765 -14.663 -7.374 542 3HD2 LEU 72 HD2 LEU 72 2.135 -15.206 -5.819 543 H ASP 73 HN ASP 73 3.032 -10.581 -5.935 544 HA ASP 73 HA ASP 73 2.569 -11.267 -8.654 545 1HB ASP 73 HB2 ASP 73 1.642 -9.151 -6.783 546 2HB ASP 73 HB1 ASP 73 1.493 -8.815 -8.504 547 H ALA 74 HN ALA 74 3.922 -8.279 -7.247 548 HA ALA 74 HA ALA 74 4.843 -7.231 -9.677 549 1HB ALA 74 HB1 ALA 74 6.534 -6.124 -7.846 550 2HB ALA 74 HB2 ALA 74 5.171 -6.612 -6.839 551 3HB ALA 74 HB3 ALA 74 4.912 -5.540 -8.215 552 H ARG 75 HN ARG 75 6.420 -9.311 -7.296 553 HA ARG 75 HA ARG 75 9.011 -9.212 -8.411 554 1HB ARG 75 HB2 ARG 75 7.685 -10.590 -6.277 555 2HB ARG 75 HB1 ARG 75 8.616 -11.753 -7.210 556 1HG ARG 75 HG2 ARG 75 10.163 -9.377 -6.744 557 2HG ARG 75 HG1 ARG 75 9.547 -10.029 -5.224 558 1HD ARG 75 HD1 ARG 75 10.682 -11.969 -7.146 559 2HD ARG 75 HD2 ARG 75 11.818 -10.869 -6.367 560 HE ARG 75 HE ARG 75 9.957 -12.349 -4.670 561 1HH1 ARG 75 HH1 ARG 75 13.195 -11.897 -5.875 562 2HH1 ARG 75 HH1 ARG 75 13.931 -12.846 -4.625 563 1HH2 ARG 75 HH2 ARG 75 10.917 -13.600 -3.022 564 2HH2 ARG 75 HH2 ARG 75 12.635 -13.814 -3.004 565 H ASN 76 HN ASN 76 6.152 -10.998 -9.242 566 HA ASN 76 HA ASN 76 7.329 -13.093 -10.706 567 1HB ASN 76 HB2 ASN 76 4.865 -12.762 -9.950 568 2HB ASN 76 HB1 ASN 76 4.686 -11.873 -11.459 569 1HD2 ASN 76 HD2 ASN 76 3.199 -13.430 -12.177 570 2HD2 ASN 76 HD2 ASN 76 3.721 -14.971 -12.757 571 H HIS 77 HN HIS 77 5.610 -10.293 -12.092 572 HA HIS 77 HA HIS 77 6.887 -10.606 -14.625 573 1HB HIS 77 HB1 HIS 77 4.729 -9.063 -13.534 574 2HB HIS 77 HB2 HIS 77 5.809 -7.991 -14.419 575 HD2 HIS 77 HD2 HIS 77 3.858 -11.344 -15.158 576 HE1 HIS 77 HE1 HIS 77 4.272 -9.068 -18.702 577 HE2 HIS 77 HE2 HIS 77 3.284 -11.169 -17.683 578 H GLY 78 HN GLY 78 7.818 -9.146 -11.713 579 1HA GLY 78 HA1 GLY 78 9.743 -8.020 -11.145 580 2HA GLY 78 HA2 GLY 78 10.303 -8.268 -12.793 581 H TYR 79 HN TYR 79 8.798 -6.092 -10.573 582 HA TYR 79 HA TYR 79 8.146 -4.129 -12.592 583 1HB TYR 79 HB2 TYR 79 6.846 -4.467 -10.436 584 2HB TYR 79 HB1 TYR 79 8.194 -3.694 -9.605 585 HD1 TYR 79 HD1 TYR 79 5.841 -3.098 -12.443 586 HD2 TYR 79 HD2 TYR 79 8.158 -1.404 -9.305 587 HE1 TYR 79 HE1 TYR 79 4.877 -0.889 -12.932 588 HE2 TYR 79 HE2 TYR 79 7.201 0.809 -9.783 589 HH TYR 79 HH TYR 79 5.961 1.763 -12.340 590 H THR 80 HN THR 80 9.634 -2.990 -9.689 591 HA THR 80 HA THR 80 12.119 -2.368 -11.111 592 HB THR 80 HB THR 80 10.807 -0.253 -9.434 593 HG1 THR 80 HG1 THR 80 10.459 -0.404 -12.228 594 1HG2 THR 80 HG2 THR 80 12.011 0.992 -11.512 595 2HG2 THR 80 HG2 THR 80 13.068 -0.400 -11.282 596 3HG2 THR 80 HG2 THR 80 12.757 0.703 -9.941 597 H VAL 81 HN VAL 81 10.820 -1.257 -7.999 598 HA VAL 81 HA VAL 81 13.108 -2.565 -6.691 599 HB VAL 81 HB VAL 81 11.487 -0.252 -5.628 600 1HG1 VAL 81 HG2 VAL 81 12.645 -0.456 -3.739 601 2HG1 VAL 81 HG2 VAL 81 14.174 -0.558 -4.614 602 3HG1 VAL 81 HG2 VAL 81 13.215 -2.012 -4.340 603 1HG2 VAL 81 HG1 VAL 81 12.542 0.890 -7.262 604 2HG2 VAL 81 HG1 VAL 81 13.781 -0.347 -7.475 605 3HG2 VAL 81 HG1 VAL 81 13.908 0.810 -6.150 606 H LEU 82 HN LEU 82 12.585 -4.373 -5.693 607 HA LEU 82 HA LEU 82 10.029 -4.528 -4.242 608 1HB LEU 82 HB2 LEU 82 11.074 -6.227 -6.308 609 2HB LEU 82 HB1 LEU 82 10.960 -7.144 -4.820 610 HG LEU 82 HG LEU 82 8.945 -7.405 -6.185 611 1HD1 LEU 82 HD1 LEU 82 8.396 -5.775 -3.709 612 2HD1 LEU 82 HD1 LEU 82 8.789 -7.494 -3.727 613 3HD1 LEU 82 HD1 LEU 82 7.303 -6.922 -4.485 614 1HD2 LEU 82 HD2 LEU 82 7.594 -4.997 -5.910 615 2HD2 LEU 82 HD2 LEU 82 8.262 -5.674 -7.395 616 3HD2 LEU 82 HD2 LEU 82 9.214 -4.539 -6.437 617 H ASP 83 HN ASP 83 10.661 -4.155 -2.182 618 HA ASP 83 HA ASP 83 12.798 -5.871 -1.098 619 1HB ASP 83 HB1 ASP 83 12.389 -2.954 -0.887 620 2HB ASP 83 HB2 ASP 83 12.776 -3.764 0.628 621 H ILE 84 HN ILE 84 12.572 -6.400 1.193 622 HA ILE 84 HA ILE 84 9.857 -6.118 2.255 623 HB ILE 84 HB ILE 84 9.645 -8.466 2.756 624 1HG1 ILE 84 HG1 ILE 84 12.206 -8.945 1.227 625 2HG1 ILE 84 HG1 ILE 84 12.140 -8.839 2.983 626 1HG2 ILE 84 HG2 ILE 84 10.294 -7.853 -0.114 627 2HG2 ILE 84 HG2 ILE 84 8.713 -7.862 0.669 628 3HG2 ILE 84 HG2 ILE 84 9.576 -9.378 0.406 629 1HD1 ILE 84 HD1 ILE 84 12.144 -11.151 2.120 630 2HD1 ILE 84 HD1 ILE 84 10.591 -10.830 1.349 631 3HD1 ILE 84 HD1 ILE 84 10.733 -10.770 3.106 632 H GLN 85 HN GLN 85 9.707 -7.006 4.512 633 HA GLN 85 HA GLN 85 12.181 -7.117 6.015 634 1HB GLN 85 HB2 GLN 85 10.301 -4.795 6.118 635 2HB GLN 85 HB1 GLN 85 11.066 -5.322 7.610 636 1HG GLN 85 HG1 GLN 85 13.068 -4.511 7.023 637 2HG GLN 85 HG2 GLN 85 12.894 -5.016 5.343 638 1HE2 GLN 85 HE2 GLN 85 13.673 -2.447 6.804 639 2HE2 GLN 85 HE2 GLN 85 12.755 -1.228 5.995 640 H GLN 86 HN GLN 86 11.852 -7.820 8.217 641 HA GLN 86 HA GLN 86 9.166 -8.853 8.793 642 1HB GLN 86 HB1 GLN 86 10.670 -10.860 9.801 643 2HB GLN 86 HB2 GLN 86 9.945 -10.895 8.200 644 1HG GLN 86 HG2 GLN 86 12.056 -11.465 7.635 645 2HG GLN 86 HG1 GLN 86 12.226 -9.712 7.552 646 1HE2 GLN 86 HE2 GLN 86 14.522 -10.628 7.810 647 2HE2 GLN 86 HE2 GLN 86 15.123 -10.682 9.429 648 H ASP 87 HN ASP 87 8.594 -8.893 10.941 649 HA ASP 87 HA ASP 87 10.534 -7.647 12.777 650 1HB ASP 87 HB2 ASP 87 7.509 -7.599 12.813 651 2HB ASP 87 HB1 ASP 87 8.528 -6.922 14.079 652 H GLY 88 HN GLY 88 7.536 -9.415 13.433 653 1HA GLY 88 HA2 GLY 88 9.103 -11.494 14.802 654 2HA GLY 88 HA1 GLY 88 7.826 -10.660 15.675 655 HA PRO 89 HA PRO 89 5.174 -13.806 13.998 656 1HB PRO 89 HB2 PRO 89 2.822 -12.938 14.921 657 2HB PRO 89 HB1 PRO 89 4.073 -13.527 16.023 658 1HG PRO 89 HG1 PRO 89 3.294 -10.716 15.360 659 2HG PRO 89 HG2 PRO 89 3.728 -11.418 16.929 660 1HD PRO 89 HD1 PRO 89 5.444 -9.963 15.316 661 2HD PRO 89 HD2 PRO 89 5.958 -11.103 16.574 662 H THR 90 HN THR 90 5.538 -10.828 12.713 663 HA THR 90 HA THR 90 3.557 -11.363 10.615 664 HB THR 90 HB THR 90 2.926 -9.034 10.483 665 HG1 THR 90 HG1 THR 90 4.302 -7.634 11.182 666 1HG2 THR 90 HG2 THR 90 2.415 -8.789 13.174 667 2HG2 THR 90 HG2 THR 90 2.495 -10.532 12.916 668 3HG2 THR 90 HG2 THR 90 1.375 -9.551 11.970 669 H ILE 91 HN ILE 91 3.992 -9.870 8.676 670 HA ILE 91 HA ILE 91 6.805 -9.210 8.314 671 HB ILE 91 HB ILE 91 6.781 -11.524 7.651 672 1HG1 ILE 91 HG1 ILE 91 6.676 -10.179 4.989 673 2HG1 ILE 91 HG1 ILE 91 7.822 -9.565 6.176 674 1HG2 ILE 91 HG2 ILE 91 4.772 -11.019 5.503 675 2HG2 ILE 91 HG2 ILE 91 4.227 -11.367 7.143 676 3HG2 ILE 91 HG2 ILE 91 5.232 -12.532 6.281 677 1HD1 ILE 91 HD1 ILE 91 7.698 -12.463 5.425 678 2HD1 ILE 91 HD1 ILE 91 8.991 -11.594 6.253 679 3HD1 ILE 91 HD1 ILE 91 8.678 -11.289 4.544 680 H ARG 92 HN ARG 92 7.180 -7.694 6.696 681 HA ARG 92 HA ARG 92 4.775 -6.642 5.361 682 1HB ARG 92 HB1 ARG 92 5.280 -4.478 5.929 683 2HB ARG 92 HB2 ARG 92 5.906 -5.315 7.342 684 1HG ARG 92 HG1 ARG 92 8.161 -5.284 6.245 685 2HG ARG 92 HG2 ARG 92 7.466 -4.228 5.011 686 1HD ARG 92 HD2 ARG 92 7.462 -3.642 7.968 687 2HD ARG 92 HD1 ARG 92 8.645 -3.008 6.826 688 HE ARG 92 HE ARG 92 6.215 -2.300 5.788 689 1HH1 ARG 92 HH2 ARG 92 7.872 -1.780 8.810 690 2HH1 ARG 92 HH2 ARG 92 7.114 -0.252 9.110 691 1HH2 ARG 92 HH1 ARG 92 5.213 -0.290 6.176 692 2HH2 ARG 92 HH1 ARG 92 5.602 0.594 7.613 693 H TYR 93 HN TYR 93 4.996 -5.797 3.304 694 HA TYR 93 HA TYR 93 7.579 -6.194 1.958 695 1HB TYR 93 HB1 TYR 93 4.934 -6.888 0.672 696 2HB TYR 93 HB2 TYR 93 6.551 -7.265 0.088 697 HD1 TYR 93 HD1 TYR 93 7.461 -9.361 0.508 698 HD2 TYR 93 HD2 TYR 93 4.244 -7.993 2.931 699 HE1 TYR 93 HE1 TYR 93 7.349 -11.564 1.592 700 HE2 TYR 93 HE2 TYR 93 4.125 -10.192 4.024 701 HH TYR 93 HH TYR 93 6.503 -12.437 3.902 702 H LEU 94 HN LEU 94 8.183 -4.482 0.719 703 HA LEU 94 HA LEU 94 6.106 -2.562 -0.076 704 1HB LEU 94 HB2 LEU 94 8.024 -0.822 0.501 705 2HB LEU 94 HB1 LEU 94 6.843 -1.340 1.688 706 HG LEU 94 HG LEU 94 9.233 -3.032 1.603 707 1HD1 LEU 94 HD1 LEU 94 9.540 -0.218 2.621 708 2HD1 LEU 94 HD1 LEU 94 10.165 -0.767 1.067 709 3HD1 LEU 94 HD1 LEU 94 10.763 -1.487 2.561 710 1HD2 LEU 94 HD2 LEU 94 8.915 -3.137 3.879 711 2HD2 LEU 94 HD2 LEU 94 7.272 -2.851 3.306 712 3HD2 LEU 94 HD2 LEU 94 8.219 -1.518 3.965 713 H ILE 95 HN ILE 95 6.459 -1.438 -1.957 714 HA ILE 95 HA ILE 95 8.971 -1.928 -3.394 715 HB ILE 95 HB ILE 95 8.068 -2.848 -5.242 716 1HG1 ILE 95 HG1 ILE 95 5.420 -2.374 -5.641 717 2HG1 ILE 95 HG1 ILE 95 5.872 -0.908 -4.775 718 1HG2 ILE 95 HG2 ILE 95 5.732 -3.465 -3.446 719 2HG2 ILE 95 HG2 ILE 95 7.320 -4.212 -3.272 720 3HG2 ILE 95 HG2 ILE 95 6.390 -4.453 -4.751 721 1HD1 ILE 95 HD1 ILE 95 7.807 -0.810 -6.505 722 2HD1 ILE 95 HD1 ILE 95 6.183 -0.283 -6.955 723 3HD1 ILE 95 HD1 ILE 95 6.764 -1.879 -7.445 724 H GLN 96 HN GLN 96 9.397 -0.363 -5.107 725 HA GLN 96 HA GLN 96 7.759 2.026 -5.175 726 1HB GLN 96 HB1 GLN 96 9.526 3.539 -4.459 727 2HB GLN 96 HB2 GLN 96 9.163 2.385 -3.184 728 1HG GLN 96 HG1 GLN 96 11.259 1.686 -3.131 729 2HG GLN 96 HG2 GLN 96 11.255 1.374 -4.867 730 1HE2 GLN 96 HE2 GLN 96 11.636 3.930 -2.465 731 2HE2 GLN 96 HE2 GLN 96 12.723 4.895 -3.399 732 H LYS 97 HN LYS 97 8.436 3.551 -6.814 733 HA LYS 97 HA LYS 97 10.279 2.399 -8.804 734 1HB LYS 97 HB1 LYS 97 8.106 2.055 -9.705 735 2HB LYS 97 HB2 LYS 97 7.575 3.663 -9.233 736 1HG LYS 97 HG1 LYS 97 7.902 3.651 -11.591 737 2HG LYS 97 HG2 LYS 97 9.197 4.607 -10.870 738 1HD LYS 97 HD2 LYS 97 10.748 3.272 -11.744 739 2HD LYS 97 HD1 LYS 97 9.976 1.845 -11.049 740 1HE LYS 97 HE1 LYS 97 9.832 1.354 -13.283 741 2HE LYS 97 HE2 LYS 97 8.292 2.174 -13.031 742 1HZ LYS 97 HZ1 LYS 97 10.014 2.818 -14.957 743 2HZ LYS 97 HZ2 LYS 97 10.517 3.889 -13.750 744 3HZ LYS 97 HZ3 LYS 97 8.914 3.912 -14.287 Start of MODEL 17 1 1H MET 1 HT1 MET 1 -7.677 35.076 -2.680 2 2H MET 1 HT2 MET 1 -6.049 35.452 -3.070 3 3H MET 1 HT3 MET 1 -6.478 33.849 -2.636 4 HA MET 1 HA MET 1 -7.238 35.338 -5.055 5 1HB MET 1 HB1 MET 1 -5.100 33.585 -4.329 6 2HB MET 1 HB2 MET 1 -6.118 32.758 -5.500 7 1HG MET 1 HG1 MET 1 -4.405 33.893 -6.689 8 2HG MET 1 HG2 MET 1 -5.921 34.744 -6.980 9 1HE MET 1 HE1 MET 1 -3.847 37.894 -7.053 10 2HE MET 1 HE2 MET 1 -5.488 37.328 -7.364 11 3HE MET 1 HE3 MET 1 -4.110 36.429 -7.998 12 H GLY 2 HN GLY 2 -9.153 34.384 -3.093 13 1HA GLY 2 HA2 GLY 2 -10.201 31.857 -3.809 14 2HA GLY 2 HA1 GLY 2 -11.072 33.128 -2.966 15 H SER 3 HN SER 3 -10.641 31.467 -5.909 16 HA SER 3 HA SER 3 -12.715 33.137 -7.145 17 1HB SER 3 HB2 SER 3 -10.002 32.897 -8.034 18 2HB SER 3 HB1 SER 3 -11.056 32.140 -9.228 19 HG SER 3 HG SER 3 -10.763 34.401 -9.577 20 H SER 4 HN SER 4 -12.828 30.580 -5.752 21 HA SER 4 HA SER 4 -13.233 28.589 -7.817 22 1HB SER 4 HB2 SER 4 -13.398 28.583 -4.815 23 2HB SER 4 HB1 SER 4 -14.072 27.247 -5.749 24 HG SER 4 HG SER 4 -11.773 27.515 -6.792 25 H HIS 5 HN HIS 5 -14.875 30.156 -8.792 26 HA HIS 5 HA HIS 5 -17.512 29.870 -7.533 27 1HB HIS 5 HB2 HIS 5 -16.714 31.634 -9.860 28 2HB HIS 5 HB1 HIS 5 -18.247 31.666 -8.994 29 HD2 HIS 5 HD2 HIS 5 -18.077 32.682 -6.330 30 HE1 HIS 5 HE1 HIS 5 -14.374 34.595 -7.074 31 HE2 HIS 5 HE2 HIS 5 -16.339 34.411 -5.479 32 H HIS 6 HN HIS 6 -19.189 30.076 -9.652 33 HA HIS 6 HA HIS 6 -19.193 27.440 -10.695 34 1HB HIS 6 HB2 HIS 6 -20.826 29.827 -11.589 35 2HB HIS 6 HB1 HIS 6 -21.185 28.138 -11.932 36 HD2 HIS 6 HD2 HIS 6 -22.562 30.657 -9.747 37 HE1 HIS 6 HE1 HIS 6 -22.579 27.156 -7.367 38 HE2 HIS 6 HE2 HIS 6 -23.482 29.514 -7.607 39 H HIS 7 HN HIS 7 -18.760 26.668 -12.735 40 HA HIS 7 HA HIS 7 -17.648 28.543 -14.696 41 1HB HIS 7 HB2 HIS 7 -16.059 26.308 -15.018 42 2HB HIS 7 HB1 HIS 7 -15.577 27.806 -14.230 43 HD2 HIS 7 HD2 HIS 7 -14.360 27.214 -11.938 44 HE1 HIS 7 HE1 HIS 7 -16.764 23.903 -10.854 45 HE2 HIS 7 HE2 HIS 7 -14.820 25.378 -10.163 46 H HIS 8 HN HIS 8 -18.070 25.011 -14.385 47 HA HIS 8 HA HIS 8 -19.649 25.096 -16.870 48 1HB HIS 8 HB1 HIS 8 -18.643 22.547 -16.827 49 2HB HIS 8 HB2 HIS 8 -17.969 23.883 -17.756 50 HD2 HIS 8 HD2 HIS 8 -17.319 22.112 -14.299 51 HE1 HIS 8 HE1 HIS 8 -13.790 24.025 -15.644 52 HE2 HIS 8 HE2 HIS 8 -14.797 22.531 -13.858 53 H HIS 9 HN HIS 9 -19.021 22.201 -15.003 54 HA HIS 9 HA HIS 9 -21.820 21.664 -14.775 55 1HB HIS 9 HB1 HIS 9 -19.389 20.190 -14.543 56 2HB HIS 9 HB2 HIS 9 -20.316 19.945 -13.066 57 HD2 HIS 9 HD2 HIS 9 -20.855 19.494 -16.943 58 HE1 HIS 9 HE1 HIS 9 -23.380 16.857 -14.802 59 HE2 HIS 9 HE2 HIS 9 -22.585 17.567 -17.104 60 H HIS 10 HN HIS 10 -22.946 21.222 -12.772 61 HA HIS 10 HA HIS 10 -21.970 22.870 -10.533 62 1HB HIS 10 HB2 HIS 10 -24.744 22.605 -11.682 63 2HB HIS 10 HB1 HIS 10 -24.473 23.196 -10.045 64 HD2 HIS 10 HD2 HIS 10 -25.626 25.612 -11.124 65 HE1 HIS 10 HE1 HIS 10 -22.005 26.664 -13.047 66 HE2 HIS 10 HE2 HIS 10 -24.285 27.492 -12.307 67 H SER 11 HN SER 11 -21.843 19.913 -11.166 68 HA SER 11 HA SER 11 -23.455 18.800 -9.000 69 1HB SER 11 HB1 SER 11 -22.904 17.792 -11.451 70 2HB SER 11 HB2 SER 11 -21.614 17.039 -10.513 71 HG SER 11 HG SER 11 -24.342 16.972 -9.751 72 H SER 12 HN SER 12 -22.658 18.396 -7.046 73 HA SER 12 HA SER 12 -19.758 18.063 -6.729 74 1HB SER 12 HB1 SER 12 -21.424 19.687 -4.801 75 2HB SER 12 HB2 SER 12 -19.667 19.555 -4.870 76 HG SER 12 HG SER 12 -19.608 20.966 -6.452 77 H GLY 13 HN GLY 13 -22.021 16.178 -6.777 78 1HA GLY 13 HA1 GLY 13 -22.413 15.336 -4.040 79 2HA GLY 13 HA2 GLY 13 -23.003 14.519 -5.479 80 H LEU 14 HN LEU 14 -22.291 12.653 -4.075 81 HA LEU 14 HA LEU 14 -19.445 12.076 -4.581 82 1HB LEU 14 HB2 LEU 14 -21.061 11.821 -2.164 83 2HB LEU 14 HB1 LEU 14 -20.236 10.333 -2.583 84 HG LEU 14 HG LEU 14 -18.891 11.609 -1.028 85 1HD1 LEU 14 HD1 LEU 14 -16.948 11.136 -2.046 86 2HD1 LEU 14 HD1 LEU 14 -17.322 12.134 -3.450 87 3HD1 LEU 14 HD1 LEU 14 -17.982 10.504 -3.329 88 1HD2 LEU 14 HD2 LEU 14 -18.042 13.809 -2.583 89 2HD2 LEU 14 HD2 LEU 14 -18.904 13.822 -1.046 90 3HD2 LEU 14 HD2 LEU 14 -19.805 13.824 -2.561 91 H VAL 15 HN VAL 15 -21.308 11.579 -6.540 92 HA VAL 15 HA VAL 15 -22.304 8.901 -6.405 93 HB VAL 15 HB VAL 15 -21.927 10.497 -8.929 94 1HG1 VAL 15 HG2 VAL 15 -23.306 9.011 -9.924 95 2HG1 VAL 15 HG2 VAL 15 -24.281 8.780 -8.473 96 3HG1 VAL 15 HG2 VAL 15 -22.734 7.949 -8.637 97 1HG2 VAL 15 HG1 VAL 15 -23.308 12.043 -8.123 98 2HG2 VAL 15 HG1 VAL 15 -23.581 11.114 -6.649 99 3HG2 VAL 15 HG1 VAL 15 -24.564 10.806 -8.080 100 HA PRO 16 HA PRO 16 -18.606 8.011 -9.468 101 1HB PRO 16 HB2 PRO 16 -16.698 10.148 -8.755 102 2HB PRO 16 HB1 PRO 16 -17.153 9.533 -10.346 103 1HG PRO 16 HG2 PRO 16 -17.963 11.940 -9.503 104 2HG PRO 16 HG1 PRO 16 -19.007 10.906 -10.495 105 1HD PRO 16 HD1 PRO 16 -19.077 11.396 -7.540 106 2HD PRO 16 HD2 PRO 16 -20.422 11.267 -8.693 107 H ARG 17 HN ARG 17 -16.209 7.390 -9.005 108 HA ARG 17 HA ARG 17 -16.110 6.499 -6.226 109 1HB ARG 17 HB1 ARG 17 -14.927 5.564 -8.792 110 2HB ARG 17 HB2 ARG 17 -14.020 5.240 -7.320 111 1HG ARG 17 HG1 ARG 17 -16.569 4.472 -6.647 112 2HG ARG 17 HG2 ARG 17 -16.438 3.988 -8.339 113 1HD ARG 17 HD1 ARG 17 -14.141 3.016 -7.607 114 2HD ARG 17 HD2 ARG 17 -14.824 3.100 -5.984 115 HE ARG 17 HE ARG 17 -15.868 1.470 -8.199 116 1HH1 ARG 17 HH1 ARG 17 -15.687 2.241 -4.805 117 2HH1 ARG 17 HH1 ARG 17 -16.551 0.826 -4.306 118 1HH2 ARG 17 HH2 ARG 17 -17.006 -0.398 -7.549 119 2HH2 ARG 17 HH2 ARG 17 -17.300 -0.674 -5.865 120 H GLY 18 HN GLY 18 -13.982 8.041 -8.629 121 1HA GLY 18 HA2 GLY 18 -12.524 9.274 -6.377 122 2HA GLY 18 HA1 GLY 18 -11.672 8.596 -7.757 123 H SER 19 HN SER 19 -10.705 10.621 -8.182 124 HA SER 19 HA SER 19 -12.209 12.985 -8.630 125 1HB SER 19 HB1 SER 19 -9.579 12.505 -8.267 126 2HB SER 19 HB2 SER 19 -9.605 12.671 -10.023 127 HG SER 19 HG SER 19 -9.310 14.650 -8.689 128 H HIS 20 HN HIS 20 -10.415 10.995 -10.991 129 HA HIS 20 HA HIS 20 -12.546 11.551 -12.943 130 1HB HIS 20 HB2 HIS 20 -9.705 12.203 -13.097 131 2HB HIS 20 HB1 HIS 20 -10.255 11.250 -14.471 132 HD2 HIS 20 HD2 HIS 20 -12.285 12.473 -16.034 133 HE1 HIS 20 HE1 HIS 20 -11.560 16.312 -14.406 134 HE2 HIS 20 HE2 HIS 20 -12.719 15.021 -16.257 135 H MET 21 HN MET 21 -9.538 9.641 -12.941 136 HA MET 21 HA MET 21 -11.033 7.372 -14.006 137 1HB MET 21 HB2 MET 21 -8.129 8.098 -13.860 138 2HB MET 21 HB1 MET 21 -8.593 6.420 -14.099 139 1HG MET 21 HG2 MET 21 -10.130 7.790 -15.936 140 2HG MET 21 HG1 MET 21 -8.582 8.633 -15.967 141 1HE MET 21 HE1 MET 21 -6.130 6.764 -17.415 142 2HE MET 21 HE2 MET 21 -7.001 8.279 -17.184 143 3HE MET 21 HE3 MET 21 -7.278 7.314 -18.634 144 H LYS 22 HN LYS 22 -10.119 5.162 -13.200 145 HA LYS 22 HA LYS 22 -9.816 5.211 -10.279 146 1HB LYS 22 HB1 LYS 22 -11.329 3.100 -10.336 147 2HB LYS 22 HB2 LYS 22 -12.078 4.689 -10.401 148 1HG LYS 22 HG2 LYS 22 -11.458 3.695 -13.045 149 2HG LYS 22 HG1 LYS 22 -12.492 2.582 -12.148 150 1HD LYS 22 HD1 LYS 22 -14.229 3.882 -12.632 151 2HD LYS 22 HD2 LYS 22 -13.500 5.155 -11.650 152 1HE LYS 22 HE2 LYS 22 -14.052 5.905 -13.934 153 2HE LYS 22 HE1 LYS 22 -12.331 6.028 -13.570 154 1HZ LYS 22 HZ1 LYS 22 -12.533 5.112 -15.726 155 2HZ LYS 22 HZ2 LYS 22 -13.681 3.975 -15.228 156 3HZ LYS 22 HZ3 LYS 22 -12.075 3.837 -14.713 157 H ASN 23 HN ASN 23 -7.574 4.813 -10.795 158 HA ASN 23 HA ASN 23 -7.080 1.977 -11.407 159 1HB ASN 23 HB2 ASN 23 -4.823 2.891 -12.346 160 2HB ASN 23 HB1 ASN 23 -6.268 2.966 -13.350 161 1HD2 ASN 23 HD2 ASN 23 -4.747 4.927 -10.807 162 2HD2 ASN 23 HD2 ASN 23 -4.908 6.433 -11.639 163 H ILE 24 HN ILE 24 -4.366 1.915 -10.954 164 HA ILE 24 HA ILE 24 -4.243 1.745 -8.141 165 HB ILE 24 HB ILE 24 -1.807 1.353 -8.466 166 1HG1 ILE 24 HG1 ILE 24 -1.981 1.116 -11.366 167 2HG1 ILE 24 HG1 ILE 24 -2.193 2.778 -10.824 168 1HG2 ILE 24 HG2 ILE 24 -3.717 -0.192 -10.208 169 2HG2 ILE 24 HG2 ILE 24 -3.300 -0.519 -8.525 170 3HG2 ILE 24 HG2 ILE 24 -2.092 -0.733 -9.791 171 1HD1 ILE 24 HD1 ILE 24 0.102 2.511 -11.236 172 2HD1 ILE 24 HD1 ILE 24 0.156 0.970 -10.379 173 3HD1 ILE 24 HD1 ILE 24 -0.078 2.470 -9.483 174 H VAL 25 HN VAL 25 -2.519 2.815 -6.811 175 HA VAL 25 HA VAL 25 -1.946 5.562 -7.645 176 HB VAL 25 HB VAL 25 -2.551 6.267 -5.242 177 1HG1 VAL 25 HG2 VAL 25 -4.696 5.573 -7.246 178 2HG1 VAL 25 HG2 VAL 25 -3.762 7.067 -7.173 179 3HG1 VAL 25 HG2 VAL 25 -4.900 6.675 -5.885 180 1HG2 VAL 25 HG1 VAL 25 -4.689 4.758 -4.653 181 2HG2 VAL 25 HG1 VAL 25 -3.084 4.465 -3.986 182 3HG2 VAL 25 HG1 VAL 25 -3.648 3.529 -5.371 183 HA PRO 26 HA PRO 26 2.077 4.799 -6.045 184 1HB PRO 26 HB2 PRO 26 2.590 7.364 -5.106 185 2HB PRO 26 HB1 PRO 26 2.865 6.806 -6.758 186 1HG PRO 26 HG2 PRO 26 0.571 8.347 -5.632 187 2HG PRO 26 HG1 PRO 26 1.369 8.506 -7.208 188 1HD PRO 26 HD2 PRO 26 -1.002 7.283 -6.959 189 2HD PRO 26 HD1 PRO 26 0.221 6.704 -8.111 190 H ASP 27 HN ASP 27 2.063 3.568 -4.292 191 HA ASP 27 HA ASP 27 2.507 3.169 -2.065 192 1HB ASP 27 HB2 ASP 27 2.888 5.618 -1.711 193 2HB ASP 27 HB1 ASP 27 1.162 5.789 -1.400 194 H TYR 28 HN TYR 28 1.028 1.482 -2.534 195 HA TYR 28 HA TYR 28 -1.701 1.907 -1.515 196 1HB TYR 28 HB1 TYR 28 -1.192 0.854 -3.853 197 2HB TYR 28 HB2 TYR 28 -0.817 -0.593 -2.924 198 HD1 TYR 28 HD1 TYR 28 -3.516 1.965 -3.280 199 HD2 TYR 28 HD2 TYR 28 -2.519 -2.093 -2.476 200 HE1 TYR 28 HE1 TYR 28 -5.908 1.397 -3.207 201 HE2 TYR 28 HE2 TYR 28 -4.908 -2.671 -2.401 202 HH TYR 28 HH TYR 28 -7.229 -1.064 -3.654 203 H ARG 29 HN ARG 29 -2.586 -0.076 -0.289 204 HA ARG 29 HA ARG 29 -0.454 -1.279 1.333 205 1HB ARG 29 HB1 ARG 29 -1.940 -0.906 3.352 206 2HB ARG 29 HB2 ARG 29 -1.170 0.525 2.683 207 1HG ARG 29 HG1 ARG 29 -3.134 1.415 1.946 208 2HG ARG 29 HG2 ARG 29 -3.897 -0.163 1.730 209 1HD ARG 29 HD1 ARG 29 -4.525 -0.317 3.924 210 2HD ARG 29 HD2 ARG 29 -3.191 0.687 4.489 211 HE ARG 29 HE ARG 29 -4.537 2.518 4.277 212 1HH1 ARG 29 HH1 ARG 29 -5.902 -0.095 2.418 213 2HH1 ARG 29 HH1 ARG 29 -7.357 0.765 2.037 214 1HH2 ARG 29 HH2 ARG 29 -6.447 3.655 3.783 215 2HH2 ARG 29 HH2 ARG 29 -7.667 2.897 2.814 216 H LEU 30 HN LEU 30 -0.657 -3.353 1.740 217 HA LEU 30 HA LEU 30 -3.289 -4.635 1.439 218 1HB LEU 30 HB1 LEU 30 -1.537 -5.105 -0.416 219 2HB LEU 30 HB2 LEU 30 -0.705 -6.046 0.805 220 HG LEU 30 HG LEU 30 -2.239 -7.304 -0.822 221 1HD1 LEU 30 HD2 LEU 30 -2.895 -7.746 2.081 222 2HD1 LEU 30 HD2 LEU 30 -1.312 -8.123 1.401 223 3HD1 LEU 30 HD2 LEU 30 -2.750 -8.938 0.789 224 1HD2 LEU 30 HD1 LEU 30 -4.118 -5.716 -0.693 225 2HD2 LEU 30 HD1 LEU 30 -4.355 -6.151 0.999 226 3HD2 LEU 30 HD1 LEU 30 -4.599 -7.357 -0.263 227 H ASP 31 HN ASP 31 -3.404 -4.207 3.750 228 HA ASP 31 HA ASP 31 -1.547 -5.753 5.392 229 1HB ASP 31 HB2 ASP 31 -3.611 -4.042 6.663 230 2HB ASP 31 HB1 ASP 31 -1.909 -4.246 7.069 231 H MET 32 HN MET 32 -2.666 -7.730 4.586 232 HA MET 32 HA MET 32 -4.786 -8.437 6.463 233 1HB MET 32 HB2 MET 32 -4.922 -8.707 3.478 234 2HB MET 32 HB1 MET 32 -5.773 -9.850 4.507 235 1HG MET 32 HG1 MET 32 -6.466 -7.376 5.535 236 2HG MET 32 HG2 MET 32 -6.455 -7.135 3.789 237 1HE MET 32 HE1 MET 32 -7.599 -8.246 2.179 238 2HE MET 32 HE2 MET 32 -9.181 -7.595 2.608 239 3HE MET 32 HE3 MET 32 -8.987 -9.325 2.328 240 H VAL 33 HN VAL 33 -4.309 -10.726 4.042 241 HA VAL 33 HA VAL 33 -2.155 -12.085 5.492 242 HB VAL 33 HB VAL 33 -4.365 -12.967 6.256 243 1HG1 VAL 33 HG2 VAL 33 -4.620 -14.039 3.453 244 2HG1 VAL 33 HG2 VAL 33 -5.527 -12.663 4.081 245 3HG1 VAL 33 HG2 VAL 33 -5.749 -14.263 4.790 246 1HG2 VAL 33 HG1 VAL 33 -2.783 -14.549 6.653 247 2HG2 VAL 33 HG1 VAL 33 -2.262 -14.609 4.969 248 3HG2 VAL 33 HG1 VAL 33 -3.743 -15.430 5.463 249 H GLY 34 HN GLY 34 -0.839 -13.388 4.226 250 1HA GLY 34 HA2 GLY 34 -0.829 -12.789 1.414 251 2HA GLY 34 HA1 GLY 34 0.312 -13.822 2.264 252 H GLU 35 HN GLU 35 -2.986 -13.728 0.965 253 HA GLU 35 HA GLU 35 -3.088 -16.640 0.929 254 1HB GLU 35 HB1 GLU 35 -5.408 -16.415 0.387 255 2HB GLU 35 HB2 GLU 35 -5.050 -15.269 1.671 256 1HG GLU 35 HG2 GLU 35 -4.681 -13.642 -0.380 257 2HG GLU 35 HG1 GLU 35 -5.772 -14.784 -1.162 258 HA PRO 36 HA PRO 36 -1.799 -17.221 -3.245 259 1HB PRO 36 HB1 PRO 36 -4.071 -19.125 -3.460 260 2HB PRO 36 HB2 PRO 36 -2.352 -19.383 -3.776 261 1HG PRO 36 HG1 PRO 36 -3.495 -20.354 -1.573 262 2HG PRO 36 HG2 PRO 36 -1.851 -19.692 -1.533 263 1HD PRO 36 HD1 PRO 36 -4.409 -18.476 -0.583 264 2HD PRO 36 HD2 PRO 36 -2.783 -18.380 0.121 265 H CYS 37 HN CYS 37 -5.114 -16.483 -2.471 266 HA CYS 37 HA CYS 37 -6.189 -16.181 -5.027 267 1HB CYS 37 HB1 CYS 37 -6.818 -15.021 -2.344 268 2HB CYS 37 HB2 CYS 37 -7.623 -14.361 -3.765 269 HG CYS 37 HG CYS 37 -8.649 -16.648 -2.383 270 HA PRO 38 HA PRO 38 -4.078 -12.529 -6.417 271 1HB PRO 38 HB2 PRO 38 -5.376 -12.141 -8.721 272 2HB PRO 38 HB1 PRO 38 -4.335 -13.549 -8.482 273 1HG PRO 38 HG1 PRO 38 -7.315 -13.349 -8.373 274 2HG PRO 38 HG2 PRO 38 -6.303 -14.632 -9.057 275 1HD PRO 38 HD2 PRO 38 -7.509 -14.713 -6.560 276 2HD PRO 38 HD1 PRO 38 -6.118 -15.698 -7.053 277 H TYR 39 HN TYR 39 -6.607 -12.330 -4.656 278 HA TYR 39 HA TYR 39 -7.973 -10.003 -5.646 279 1HB TYR 39 HB1 TYR 39 -8.202 -11.789 -3.307 280 2HB TYR 39 HB2 TYR 39 -8.685 -10.120 -3.024 281 HD1 TYR 39 HD1 TYR 39 -9.467 -13.217 -4.802 282 HD2 TYR 39 HD2 TYR 39 -10.614 -9.169 -4.170 283 HE1 TYR 39 HE1 TYR 39 -11.651 -13.681 -5.833 284 HE2 TYR 39 HE2 TYR 39 -12.801 -9.622 -5.200 285 HH TYR 39 HH TYR 39 -13.450 -12.365 -7.005 286 HA PRO 40 HA PRO 40 -5.482 -7.907 -1.972 287 1HB PRO 40 HB2 PRO 40 -3.091 -9.664 -1.948 288 2HB PRO 40 HB1 PRO 40 -3.957 -8.922 -0.599 289 1HG PRO 40 HG2 PRO 40 -4.177 -11.530 -1.081 290 2HG PRO 40 HG1 PRO 40 -5.583 -10.580 -0.562 291 1HD PRO 40 HD1 PRO 40 -4.851 -11.544 -3.303 292 2HD PRO 40 HD2 PRO 40 -6.439 -11.509 -2.508 293 H ALA 41 HN ALA 41 -2.757 -9.476 -3.563 294 HA ALA 41 HA ALA 41 -1.475 -7.157 -4.378 295 1HB ALA 41 HB1 ALA 41 -1.057 -9.953 -4.614 296 2HB ALA 41 HB2 ALA 41 0.111 -8.644 -4.787 297 3HB ALA 41 HB3 ALA 41 -0.781 -9.220 -6.194 298 H VAL 42 HN VAL 42 -4.405 -7.976 -5.540 299 HA VAL 42 HA VAL 42 -4.324 -7.948 -8.284 300 HB VAL 42 HB VAL 42 -6.379 -8.057 -6.774 301 1HG1 VAL 42 HG2 VAL 42 -6.477 -5.084 -7.178 302 2HG1 VAL 42 HG2 VAL 42 -5.834 -5.811 -5.706 303 3HG1 VAL 42 HG2 VAL 42 -7.513 -6.093 -6.169 304 1HG2 VAL 42 HG1 VAL 42 -7.227 -8.192 -8.829 305 2HG2 VAL 42 HG1 VAL 42 -6.058 -7.035 -9.464 306 3HG2 VAL 42 HG1 VAL 42 -7.547 -6.462 -8.712 307 H ALA 43 HN ALA 43 -3.819 -5.297 -6.053 308 HA ALA 43 HA ALA 43 -3.849 -3.229 -8.034 309 1HB ALA 43 HB1 ALA 43 -3.954 -3.270 -5.297 310 2HB ALA 43 HB2 ALA 43 -3.732 -1.833 -6.293 311 3HB ALA 43 HB3 ALA 43 -2.330 -2.656 -5.611 312 H THR 44 HN THR 44 -1.380 -5.203 -6.490 313 HA THR 44 HA THR 44 0.891 -3.846 -7.408 314 HB THR 44 HB THR 44 1.056 -6.792 -7.187 315 HG1 THR 44 HG1 THR 44 0.650 -5.369 -4.812 316 1HG2 THR 44 HG2 THR 44 3.016 -5.196 -7.191 317 2HG2 THR 44 HG2 THR 44 2.963 -6.389 -5.893 318 3HG2 THR 44 HG2 THR 44 2.496 -4.719 -5.575 319 H LEU 45 HN LEU 45 -0.590 -6.818 -8.718 320 HA LEU 45 HA LEU 45 1.036 -6.970 -10.988 321 1HB LEU 45 HB1 LEU 45 -1.601 -8.135 -10.222 322 2HB LEU 45 HB2 LEU 45 -1.061 -8.289 -11.882 323 HG LEU 45 HG LEU 45 0.201 -9.427 -9.398 324 1HD1 LEU 45 HD1 LEU 45 -1.348 -10.939 -10.201 325 2HD1 LEU 45 HD1 LEU 45 0.138 -11.469 -10.988 326 3HD1 LEU 45 HD1 LEU 45 -1.044 -10.516 -11.886 327 1HD2 LEU 45 HD2 LEU 45 1.857 -10.304 -11.301 328 2HD2 LEU 45 HD2 LEU 45 2.173 -8.850 -10.352 329 3HD2 LEU 45 HD2 LEU 45 1.478 -8.716 -11.969 330 H GLU 46 HN GLU 46 -2.312 -5.742 -10.726 331 HA GLU 46 HA GLU 46 -2.575 -4.931 -13.382 332 1HB GLU 46 HB1 GLU 46 -4.493 -3.770 -12.728 333 2HB GLU 46 HB2 GLU 46 -4.359 -5.044 -11.526 334 1HG GLU 46 HG2 GLU 46 -3.349 -3.458 -9.963 335 2HG GLU 46 HG1 GLU 46 -3.504 -2.180 -11.168 336 H ALA 47 HN ALA 47 -1.030 -3.400 -10.643 337 HA ALA 47 HA ALA 47 -0.724 -0.795 -11.445 338 1HB ALA 47 HB1 ALA 47 0.732 -0.685 -9.758 339 2HB ALA 47 HB2 ALA 47 1.818 -1.839 -10.532 340 3HB ALA 47 HB3 ALA 47 0.481 -2.417 -9.538 341 H MET 48 HN MET 48 1.516 -3.441 -12.256 342 HA MET 48 HA MET 48 2.614 -1.911 -14.467 343 1HB MET 48 HB2 MET 48 3.011 -4.827 -13.764 344 2HB MET 48 HB1 MET 48 3.957 -3.897 -14.916 345 1HG MET 48 HG1 MET 48 5.112 -2.791 -13.292 346 2HG MET 48 HG2 MET 48 3.810 -2.933 -12.113 347 1HE MET 48 HE1 MET 48 3.008 -5.771 -11.815 348 2HE MET 48 HE2 MET 48 3.562 -4.870 -10.404 349 3HE MET 48 HE3 MET 48 4.184 -6.491 -10.714 350 HA PRO 49 HA PRO 49 3.105 -1.703 -16.365 351 1HB PRO 49 HB1 PRO 49 2.479 -0.949 -18.834 352 2HB PRO 49 HB2 PRO 49 3.195 -2.537 -18.533 353 1HG PRO 49 HG1 PRO 49 0.369 -1.812 -19.139 354 2HG PRO 49 HG2 PRO 49 1.288 -3.250 -19.614 355 1HD PRO 49 HD1 PRO 49 -0.516 -3.036 -17.453 356 2HD PRO 49 HD2 PRO 49 0.596 -4.379 -17.777 357 H GLN 50 HN GLN 50 -0.003 -1.278 -15.464 358 HA GLN 50 HA GLN 50 -0.583 1.322 -16.529 359 1HB GLN 50 HB2 GLN 50 -1.962 -0.638 -15.062 360 2HB GLN 50 HB1 GLN 50 -1.930 0.786 -14.031 361 1HG GLN 50 HG2 GLN 50 -3.070 2.091 -15.608 362 2HG GLN 50 HG1 GLN 50 -2.786 0.926 -16.901 363 1HE2 GLN 50 HE2 GLN 50 -3.570 -1.407 -15.971 364 2HE2 GLN 50 HE2 GLN 50 -5.232 -1.388 -15.497 365 H LEU 51 HN LEU 51 1.974 0.740 -14.878 366 HA LEU 51 HA LEU 51 1.781 2.348 -12.546 367 1HB LEU 51 HB1 LEU 51 4.184 2.142 -12.419 368 2HB LEU 51 HB2 LEU 51 3.480 0.592 -12.835 369 HG LEU 51 HG LEU 51 4.332 2.240 -15.131 370 1HD1 LEU 51 HD2 LEU 51 6.628 2.040 -14.854 371 2HD1 LEU 51 HD2 LEU 51 6.469 0.855 -13.558 372 3HD1 LEU 51 HD2 LEU 51 6.075 2.548 -13.258 373 1HD2 LEU 51 HD1 LEU 51 5.457 -0.334 -15.130 374 2HD2 LEU 51 HD1 LEU 51 4.074 0.245 -16.057 375 3HD2 LEU 51 HD1 LEU 51 3.827 -0.498 -14.477 376 H LYS 52 HN LYS 52 3.596 4.163 -12.368 377 HA LYS 52 HA LYS 52 3.256 5.989 -14.652 378 1HB LYS 52 HB2 LYS 52 3.289 6.881 -11.768 379 2HB LYS 52 HB1 LYS 52 2.864 7.831 -13.186 380 1HG LYS 52 HG1 LYS 52 0.965 6.084 -13.467 381 2HG LYS 52 HG2 LYS 52 1.276 5.745 -11.763 382 1HD LYS 52 HD2 LYS 52 1.105 8.319 -11.483 383 2HD LYS 52 HD1 LYS 52 0.282 8.263 -13.044 384 1HE LYS 52 HE1 LYS 52 -1.318 6.637 -12.110 385 2HE LYS 52 HE2 LYS 52 -0.518 6.775 -10.545 386 1HZ LYS 52 HZ1 LYS 52 -2.578 8.332 -11.492 387 2HZ LYS 52 HZ2 LYS 52 -1.217 9.333 -11.560 388 3HZ LYS 52 HZ3 LYS 52 -1.659 8.607 -10.098 389 H LYS 53 HN LYS 53 4.767 8.040 -13.069 390 HA LYS 53 HA LYS 53 7.445 6.916 -13.527 391 1HB LYS 53 HB2 LYS 53 6.224 9.560 -14.021 392 2HB LYS 53 HB1 LYS 53 7.865 9.594 -13.391 393 1HG LYS 53 HG2 LYS 53 8.640 8.234 -15.233 394 2HG LYS 53 HG1 LYS 53 6.991 8.084 -15.845 395 1HD LYS 53 HD2 LYS 53 8.106 10.812 -15.426 396 2HD LYS 53 HD1 LYS 53 8.663 9.881 -16.818 397 1HE LYS 53 HE1 LYS 53 6.113 9.476 -17.201 398 2HE LYS 53 HE2 LYS 53 5.930 10.909 -16.191 399 1HZ LYS 53 HZ1 LYS 53 6.697 10.726 -18.920 400 2HZ LYS 53 HZ2 LYS 53 7.872 11.552 -18.027 401 3HZ LYS 53 HZ3 LYS 53 6.269 12.092 -18.019 402 H GLY 54 HN GLY 54 6.707 6.058 -11.218 403 1HA GLY 54 HA2 GLY 54 8.246 6.318 -9.249 404 2HA GLY 54 HA1 GLY 54 7.705 7.990 -9.218 405 H GLU 55 HN GLU 55 6.905 4.694 -8.470 406 HA GLU 55 HA GLU 55 4.554 5.661 -6.984 407 1HB GLU 55 HB2 GLU 55 3.297 3.777 -7.551 408 2HB GLU 55 HB1 GLU 55 4.106 4.197 -9.053 409 1HG GLU 55 HG1 GLU 55 4.965 2.169 -9.179 410 2HG GLU 55 HG2 GLU 55 5.769 2.392 -7.626 411 H ILE 56 HN ILE 56 3.925 3.501 -5.513 412 HA ILE 56 HA ILE 56 6.192 2.351 -4.203 413 HB ILE 56 HB ILE 56 4.957 4.805 -3.101 414 1HG1 ILE 56 HG1 ILE 56 7.525 3.758 -2.090 415 2HG1 ILE 56 HG1 ILE 56 7.467 4.060 -3.823 416 1HG2 ILE 56 HG2 ILE 56 4.093 3.113 -1.541 417 2HG2 ILE 56 HG2 ILE 56 5.263 4.192 -0.782 418 3HG2 ILE 56 HG2 ILE 56 5.743 2.561 -1.251 419 1HD1 ILE 56 HD1 ILE 56 6.333 6.263 -2.368 420 2HD1 ILE 56 HD1 ILE 56 7.673 6.238 -3.514 421 3HD1 ILE 56 HD1 ILE 56 7.964 5.902 -1.807 422 H LEU 57 HN LEU 57 5.481 0.968 -2.331 423 HA LEU 57 HA LEU 57 2.625 0.385 -2.281 424 1HB LEU 57 HB2 LEU 57 3.802 -1.074 -3.997 425 2HB LEU 57 HB1 LEU 57 4.599 -1.848 -2.663 426 HG LEU 57 HG LEU 57 2.290 -2.376 -1.759 427 1HD1 LEU 57 HD2 LEU 57 0.959 -2.370 -4.275 428 2HD1 LEU 57 HD2 LEU 57 1.526 -0.735 -3.928 429 3HD1 LEU 57 HD2 LEU 57 0.492 -1.576 -2.770 430 1HD2 LEU 57 HD1 LEU 57 1.967 -4.270 -3.325 431 2HD2 LEU 57 HD1 LEU 57 3.630 -4.091 -2.769 432 3HD2 LEU 57 HD1 LEU 57 3.178 -3.552 -4.386 433 H GLU 58 HN GLU 58 2.055 -1.143 -0.593 434 HA GLU 58 HA GLU 58 4.072 -1.640 1.369 435 1HB GLU 58 HB1 GLU 58 1.601 -0.414 2.509 436 2HB GLU 58 HB2 GLU 58 3.240 -0.409 3.142 437 1HG GLU 58 HG1 GLU 58 3.897 1.345 1.719 438 2HG GLU 58 HG2 GLU 58 2.450 1.184 0.720 439 H VAL 59 HN VAL 59 3.619 -3.427 2.659 440 HA VAL 59 HA VAL 59 0.981 -4.671 2.374 441 HB VAL 59 HB VAL 59 3.527 -6.212 1.877 442 1HG1 VAL 59 HG1 VAL 59 2.226 -8.082 1.544 443 2HG1 VAL 59 HG1 VAL 59 0.776 -7.143 1.191 444 3HG1 VAL 59 HG1 VAL 59 1.355 -7.279 2.851 445 1HG2 VAL 59 HG2 VAL 59 3.173 -6.117 -0.407 446 2HG2 VAL 59 HG2 VAL 59 2.770 -4.478 0.104 447 3HG2 VAL 59 HG2 VAL 59 1.485 -5.639 -0.230 448 H VAL 60 HN VAL 60 0.270 -5.559 4.202 449 HA VAL 60 HA VAL 60 2.197 -6.356 6.266 450 HB VAL 60 HB VAL 60 -0.351 -4.853 6.877 451 1HG1 VAL 60 HG1 VAL 60 1.943 -5.653 8.665 452 2HG1 VAL 60 HG1 VAL 60 0.376 -6.461 8.594 453 3HG1 VAL 60 HG1 VAL 60 0.483 -4.791 9.152 454 1HG2 VAL 60 HG2 VAL 60 2.455 -3.932 6.500 455 2HG2 VAL 60 HG2 VAL 60 1.462 -3.157 7.734 456 3HG2 VAL 60 HG2 VAL 60 0.941 -3.149 6.049 457 H SER 61 HN SER 61 1.807 -8.501 5.541 458 HA SER 61 HA SER 61 -0.828 -9.540 6.345 459 1HB SER 61 HB2 SER 61 0.141 -11.373 4.509 460 2HB SER 61 HB1 SER 61 -1.083 -10.145 4.190 461 HG SER 61 HG SER 61 0.526 -8.779 3.435 462 H ASP 62 HN ASP 62 -0.779 -11.907 6.827 463 HA ASP 62 HA ASP 62 1.740 -12.629 8.182 464 1HB ASP 62 HB1 ASP 62 0.029 -14.070 9.599 465 2HB ASP 62 HB2 ASP 62 0.324 -12.377 9.983 466 H CYS 63 HN CYS 63 2.589 -14.616 7.801 467 HA CYS 63 HA CYS 63 1.033 -16.740 6.650 468 1HB CYS 63 HB2 CYS 63 2.174 -16.919 4.547 469 2HB CYS 63 HB1 CYS 63 1.562 -15.274 4.682 470 HG CYS 63 HG CYS 63 4.264 -14.951 5.564 471 HA PRO 64 HA PRO 64 4.158 -19.026 8.796 472 1HB PRO 64 HB1 PRO 64 3.484 -21.353 7.156 473 2HB PRO 64 HB2 PRO 64 3.216 -21.088 8.880 474 1HG PRO 64 HG2 PRO 64 1.190 -21.157 7.093 475 2HG PRO 64 HG1 PRO 64 1.144 -20.146 8.550 476 1HD PRO 64 HD2 PRO 64 1.761 -19.370 5.722 477 2HD PRO 64 HD1 PRO 64 0.781 -18.519 6.936 478 H GLN 65 HN GLN 65 4.153 -18.517 5.430 479 HA GLN 65 HA GLN 65 6.683 -19.899 4.996 480 1HB GLN 65 HB2 GLN 65 5.181 -18.247 2.973 481 2HB GLN 65 HB1 GLN 65 6.349 -19.526 2.678 482 1HG GLN 65 HG2 GLN 65 4.140 -20.536 4.207 483 2HG GLN 65 HG1 GLN 65 3.563 -19.731 2.747 484 1HE2 GLN 65 HE2 GLN 65 2.880 -21.745 1.938 485 2HE2 GLN 65 HE2 GLN 65 4.007 -22.873 1.273 486 H SER 66 HN SER 66 7.820 -18.238 3.073 487 HA SER 66 HA SER 66 8.610 -15.919 4.710 488 1HB SER 66 HB2 SER 66 10.163 -17.767 2.937 489 2HB SER 66 HB1 SER 66 10.719 -16.106 3.137 490 HG SER 66 HG SER 66 11.113 -18.128 4.765 491 H ILE 67 HN ILE 67 7.227 -16.918 1.760 492 HA ILE 67 HA ILE 67 7.533 -14.201 0.658 493 HB ILE 67 HB ILE 67 8.559 -16.152 -0.645 494 1HG1 ILE 67 HG1 ILE 67 6.948 -15.106 -2.712 495 2HG1 ILE 67 HG1 ILE 67 7.082 -13.834 -1.502 496 1HG2 ILE 67 HG2 ILE 67 6.129 -17.321 -0.289 497 2HG2 ILE 67 HG2 ILE 67 7.303 -17.785 -1.521 498 3HG2 ILE 67 HG2 ILE 67 5.984 -16.689 -1.930 499 1HD1 ILE 67 HD1 ILE 67 8.856 -13.477 -2.978 500 2HD1 ILE 67 HD1 ILE 67 9.271 -15.189 -3.031 501 3HD1 ILE 67 HD1 ILE 67 9.584 -14.251 -1.572 502 H ASN 68 HN ASN 68 5.708 -13.294 -0.440 503 HA ASN 68 HA ASN 68 3.138 -14.547 0.268 504 1HB ASN 68 HB1 ASN 68 4.187 -11.938 1.020 505 2HB ASN 68 HB2 ASN 68 2.642 -11.811 0.186 506 1HD2 ASN 68 HD2 ASN 68 2.910 -14.785 1.700 507 2HD2 ASN 68 HD2 ASN 68 2.034 -14.419 3.141 508 H ASN 69 HN ASN 69 1.309 -13.247 -0.959 509 HA ASN 69 HA ASN 69 1.756 -13.769 -3.718 510 1HB ASN 69 HB2 ASN 69 -0.508 -13.166 -1.990 511 2HB ASN 69 HB1 ASN 69 -0.638 -12.368 -3.555 512 1HD2 ASN 69 HD2 ASN 69 0.504 -15.519 -2.383 513 2HD2 ASN 69 HD2 ASN 69 -0.402 -16.457 -3.517 514 H ILE 70 HN ILE 70 1.345 -10.781 -1.842 515 HA ILE 70 HA ILE 70 1.208 -9.025 -4.008 516 HB ILE 70 HB ILE 70 2.590 -8.016 -1.592 517 1HG1 ILE 70 HG1 ILE 70 1.057 -9.535 -0.514 518 2HG1 ILE 70 HG1 ILE 70 0.407 -7.903 -0.362 519 1HG2 ILE 70 HG2 ILE 70 1.112 -6.133 -1.927 520 2HG2 ILE 70 HG2 ILE 70 0.204 -7.025 -3.148 521 3HG2 ILE 70 HG2 ILE 70 1.880 -6.568 -3.454 522 1HD1 ILE 70 HD1 ILE 70 -0.579 -9.247 -2.726 523 2HD1 ILE 70 HD1 ILE 70 -1.456 -8.451 -1.420 524 3HD1 ILE 70 HD1 ILE 70 -0.944 -10.130 -1.244 525 HA PRO 71 HA PRO 71 6.019 -8.456 -3.652 526 1HB PRO 71 HB1 PRO 71 7.399 -10.529 -2.567 527 2HB PRO 71 HB2 PRO 71 6.839 -9.147 -1.619 528 1HG PRO 71 HG1 PRO 71 5.592 -11.856 -1.935 529 2HG PRO 71 HG2 PRO 71 5.838 -10.907 -0.457 530 1HD PRO 71 HD1 PRO 71 3.456 -10.992 -1.700 531 2HD PRO 71 HD2 PRO 71 4.038 -9.516 -0.901 532 H LEU 72 HN LEU 72 4.975 -11.851 -3.855 533 HA LEU 72 HA LEU 72 6.763 -12.600 -5.901 534 1HB LEU 72 HB1 LEU 72 5.308 -14.046 -4.304 535 2HB LEU 72 HB2 LEU 72 4.072 -13.872 -5.534 536 HG LEU 72 HG LEU 72 6.567 -14.707 -6.724 537 1HD1 LEU 72 HD1 LEU 72 6.859 -15.631 -4.397 538 2HD1 LEU 72 HD1 LEU 72 6.884 -16.817 -5.703 539 3HD1 LEU 72 HD1 LEU 72 5.440 -16.631 -4.707 540 1HD2 LEU 72 HD2 LEU 72 5.109 -16.565 -7.511 541 2HD2 LEU 72 HD2 LEU 72 4.467 -14.957 -7.844 542 3HD2 LEU 72 HD2 LEU 72 3.814 -15.909 -6.511 543 H ASP 73 HN ASP 73 3.590 -11.130 -5.952 544 HA ASP 73 HA ASP 73 2.974 -11.591 -8.663 545 1HB ASP 73 HB2 ASP 73 2.013 -9.723 -6.550 546 2HB ASP 73 HB1 ASP 73 1.614 -9.338 -8.222 547 H ALA 74 HN ALA 74 4.228 -8.638 -7.098 548 HA ALA 74 HA ALA 74 4.737 -7.243 -9.483 549 1HB ALA 74 HB1 ALA 74 6.449 -6.030 -7.899 550 2HB ALA 74 HB2 ALA 74 5.606 -6.955 -6.657 551 3HB ALA 74 HB3 ALA 74 4.709 -5.839 -7.685 552 H ARG 75 HN ARG 75 6.754 -9.406 -7.553 553 HA ARG 75 HA ARG 75 9.170 -8.999 -8.936 554 1HB ARG 75 HB2 ARG 75 8.136 -10.834 -6.942 555 2HB ARG 75 HB1 ARG 75 9.168 -11.669 -8.095 556 1HG ARG 75 HG1 ARG 75 11.043 -10.556 -7.440 557 2HG ARG 75 HG2 ARG 75 10.152 -9.110 -6.959 558 1HD ARG 75 HD2 ARG 75 10.877 -10.031 -4.939 559 2HD ARG 75 HD1 ARG 75 9.196 -10.550 -5.073 560 HE ARG 75 HE ARG 75 10.113 -12.719 -5.882 561 1HH1 ARG 75 HH1 ARG 75 12.072 -10.596 -3.931 562 2HH1 ARG 75 HH1 ARG 75 13.069 -11.871 -3.316 563 1HH2 ARG 75 HH2 ARG 75 11.421 -14.403 -5.074 564 2HH2 ARG 75 HH2 ARG 75 12.699 -14.034 -3.964 565 H ASN 76 HN ASN 76 6.372 -10.990 -9.603 566 HA ASN 76 HA ASN 76 7.491 -12.691 -11.540 567 1HB ASN 76 HB2 ASN 76 5.190 -12.835 -10.396 568 2HB ASN 76 HB1 ASN 76 4.647 -11.697 -11.627 569 1HD2 ASN 76 HD2 ASN 76 3.971 -12.487 -13.493 570 2HD2 ASN 76 HD2 ASN 76 4.217 -14.104 -14.050 571 H HIS 77 HN HIS 77 5.313 -9.938 -12.179 572 HA HIS 77 HA HIS 77 5.948 -9.738 -14.905 573 1HB HIS 77 HB2 HIS 77 4.273 -8.374 -13.042 574 2HB HIS 77 HB1 HIS 77 5.206 -7.165 -13.919 575 HD2 HIS 77 HD2 HIS 77 4.950 -7.446 -16.818 576 HE1 HIS 77 HE1 HIS 77 1.116 -9.191 -16.399 577 HE2 HIS 77 HE2 HIS 77 2.744 -8.108 -18.015 578 H GLY 78 HN GLY 78 7.410 -8.351 -12.048 579 1HA GLY 78 HA1 GLY 78 9.667 -7.700 -11.917 580 2HA GLY 78 HA2 GLY 78 9.696 -7.524 -13.664 581 H TYR 79 HN TYR 79 9.070 -5.980 -10.633 582 HA TYR 79 HA TYR 79 8.282 -3.486 -11.944 583 1HB TYR 79 HB2 TYR 79 7.542 -4.654 -9.519 584 2HB TYR 79 HB1 TYR 79 8.609 -3.334 -9.053 585 HD1 TYR 79 HD1 TYR 79 7.908 -1.413 -11.294 586 HD2 TYR 79 HD2 TYR 79 5.477 -3.810 -8.753 587 HE1 TYR 79 HE1 TYR 79 6.059 0.183 -11.566 588 HE2 TYR 79 HE2 TYR 79 3.622 -2.219 -9.019 589 HH TYR 79 HH TYR 79 3.015 -0.211 -9.803 590 H THR 80 HN THR 80 9.341 -1.607 -10.247 591 HA THR 80 HA THR 80 12.060 -1.514 -11.166 592 HB THR 80 HB THR 80 10.504 0.378 -9.392 593 HG1 THR 80 HG1 THR 80 9.737 0.181 -11.547 594 1HG2 THR 80 HG2 THR 80 12.782 0.855 -8.986 595 2HG2 THR 80 HG2 THR 80 12.201 2.054 -10.140 596 3HG2 THR 80 HG2 THR 80 13.187 0.701 -10.695 597 H VAL 81 HN VAL 81 10.660 -1.180 -7.894 598 HA VAL 81 HA VAL 81 13.034 -2.580 -6.853 599 HB VAL 81 HB VAL 81 11.644 -0.307 -5.435 600 1HG1 VAL 81 HG2 VAL 81 12.688 -1.245 -3.688 601 2HG1 VAL 81 HG2 VAL 81 14.154 -0.556 -4.387 602 3HG1 VAL 81 HG2 VAL 81 13.725 -2.234 -4.718 603 1HG2 VAL 81 HG1 VAL 81 14.375 -0.117 -6.647 604 2HG2 VAL 81 HG1 VAL 81 13.285 1.175 -6.145 605 3HG2 VAL 81 HG1 VAL 81 12.938 0.243 -7.602 606 H LEU 82 HN LEU 82 12.652 -4.201 -5.496 607 HA LEU 82 HA LEU 82 10.018 -4.453 -4.227 608 1HB LEU 82 HB2 LEU 82 11.078 -6.105 -6.307 609 2HB LEU 82 HB1 LEU 82 11.002 -7.054 -4.837 610 HG LEU 82 HG LEU 82 8.981 -7.333 -6.187 611 1HD1 LEU 82 HD1 LEU 82 7.356 -6.957 -4.456 612 2HD1 LEU 82 HD1 LEU 82 8.400 -5.768 -3.678 613 3HD1 LEU 82 HD1 LEU 82 8.876 -7.465 -3.718 614 1HD2 LEU 82 HD2 LEU 82 8.544 -5.462 -7.401 615 2HD2 LEU 82 HD2 LEU 82 9.004 -4.369 -6.097 616 3HD2 LEU 82 HD2 LEU 82 7.439 -5.181 -6.056 617 H ASP 83 HN ASP 83 10.656 -4.061 -2.156 618 HA ASP 83 HA ASP 83 12.743 -5.830 -1.054 619 1HB ASP 83 HB1 ASP 83 13.055 -3.169 -1.240 620 2HB ASP 83 HB2 ASP 83 12.200 -3.239 0.297 621 H ILE 84 HN ILE 84 12.479 -6.412 1.208 622 HA ILE 84 HA ILE 84 9.784 -6.052 2.288 623 HB ILE 84 HB ILE 84 9.456 -8.388 2.734 624 1HG1 ILE 84 HG1 ILE 84 11.896 -8.936 2.991 625 2HG1 ILE 84 HG1 ILE 84 10.973 -10.123 2.077 626 1HG2 ILE 84 HG2 ILE 84 10.108 -7.723 -0.118 627 2HG2 ILE 84 HG2 ILE 84 8.532 -7.748 0.679 628 3HG2 ILE 84 HG2 ILE 84 9.381 -9.260 0.353 629 1HD1 ILE 84 HD1 ILE 84 12.081 -8.180 0.293 630 2HD1 ILE 84 HD1 ILE 84 12.337 -9.924 0.355 631 3HD1 ILE 84 HD1 ILE 84 13.342 -8.850 1.328 632 H GLN 85 HN GLN 85 9.660 -7.238 4.496 633 HA GLN 85 HA GLN 85 12.137 -7.322 5.980 634 1HB GLN 85 HB2 GLN 85 10.165 -5.094 6.249 635 2HB GLN 85 HB1 GLN 85 10.946 -5.697 7.705 636 1HG GLN 85 HG1 GLN 85 13.146 -5.339 6.492 637 2HG GLN 85 HG2 GLN 85 12.216 -4.432 5.300 638 1HE2 GLN 85 HE2 GLN 85 12.490 -4.644 8.835 639 2HE2 GLN 85 HE2 GLN 85 12.511 -2.938 9.104 640 H GLN 86 HN GLN 86 11.688 -7.896 8.322 641 HA GLN 86 HA GLN 86 9.110 -9.192 8.752 642 1HB GLN 86 HB1 GLN 86 10.613 -10.880 7.680 643 2HB GLN 86 HB2 GLN 86 11.710 -10.707 9.042 644 1HG GLN 86 HG2 GLN 86 10.264 -11.746 10.513 645 2HG GLN 86 HG1 GLN 86 8.851 -11.425 9.509 646 1HE2 GLN 86 HE2 GLN 86 11.998 -12.924 8.853 647 2HE2 GLN 86 HE2 GLN 86 11.356 -14.405 8.236 648 H ASP 87 HN ASP 87 8.565 -9.462 10.923 649 HA ASP 87 HA ASP 87 10.480 -8.272 12.828 650 1HB ASP 87 HB2 ASP 87 7.961 -7.310 12.153 651 2HB ASP 87 HB1 ASP 87 7.696 -8.153 13.677 652 H GLY 88 HN GLY 88 7.376 -9.840 13.444 653 1HA GLY 88 HA2 GLY 88 8.808 -12.080 14.711 654 2HA GLY 88 HA1 GLY 88 7.579 -11.202 15.611 655 HA PRO 89 HA PRO 89 4.755 -14.129 13.839 656 1HB PRO 89 HB1 PRO 89 2.447 -13.141 14.757 657 2HB PRO 89 HB2 PRO 89 3.649 -13.833 15.854 658 1HG PRO 89 HG2 PRO 89 3.054 -10.963 15.255 659 2HG PRO 89 HG1 PRO 89 3.420 -11.731 16.810 660 1HD PRO 89 HD1 PRO 89 5.249 -10.344 15.271 661 2HD PRO 89 HD2 PRO 89 5.672 -11.564 16.489 662 H THR 90 HN THR 90 5.276 -11.133 12.614 663 HA THR 90 HA THR 90 3.326 -11.571 10.471 664 HB THR 90 HB THR 90 2.555 -9.346 10.434 665 HG1 THR 90 HG1 THR 90 3.641 -7.700 11.219 666 1HG2 THR 90 HG2 THR 90 1.613 -8.883 12.568 667 2HG2 THR 90 HG2 THR 90 2.823 -9.880 13.378 668 3HG2 THR 90 HG2 THR 90 1.616 -10.632 12.333 669 H ILE 91 HN ILE 91 3.813 -9.948 8.621 670 HA ILE 91 HA ILE 91 6.665 -9.397 8.338 671 HB ILE 91 HB ILE 91 6.520 -11.624 7.465 672 1HG1 ILE 91 HG1 ILE 91 6.425 -10.088 4.915 673 2HG1 ILE 91 HG1 ILE 91 7.612 -9.594 6.116 674 1HG2 ILE 91 HG2 ILE 91 4.430 -12.237 6.909 675 2HG2 ILE 91 HG2 ILE 91 4.927 -11.731 5.296 676 3HG2 ILE 91 HG2 ILE 91 3.999 -10.633 6.317 677 1HD1 ILE 91 HD1 ILE 91 8.012 -11.491 4.228 678 2HD1 ILE 91 HD1 ILE 91 7.534 -12.474 5.612 679 3HD1 ILE 91 HD1 ILE 91 8.907 -11.374 5.743 680 H ARG 92 HN ARG 92 7.135 -7.743 6.897 681 HA ARG 92 HA ARG 92 4.807 -6.427 5.661 682 1HB ARG 92 HB1 ARG 92 5.277 -4.944 7.356 683 2HB ARG 92 HB2 ARG 92 6.989 -5.342 7.378 684 1HG ARG 92 HG2 ARG 92 7.001 -4.167 5.051 685 2HG ARG 92 HG1 ARG 92 5.511 -3.427 5.640 686 1HD ARG 92 HD2 ARG 92 7.460 -3.317 7.711 687 2HD ARG 92 HD1 ARG 92 8.191 -2.710 6.225 688 HE ARG 92 HE ARG 92 6.748 -0.907 6.270 689 1HH1 ARG 92 HH1 ARG 92 5.850 -3.227 8.712 690 2HH1 ARG 92 HH1 ARG 92 4.747 -2.155 9.507 691 1HH2 ARG 92 HH2 ARG 92 5.298 0.511 7.312 692 2HH2 ARG 92 HH2 ARG 92 4.433 -0.030 8.712 693 H TYR 93 HN TYR 93 5.012 -5.690 3.617 694 HA TYR 93 HA TYR 93 7.619 -6.005 2.286 695 1HB TYR 93 HB1 TYR 93 4.968 -6.431 0.908 696 2HB TYR 93 HB2 TYR 93 6.570 -6.906 0.358 697 HD1 TYR 93 HD1 TYR 93 4.158 -7.597 3.134 698 HD2 TYR 93 HD2 TYR 93 7.222 -9.104 0.598 699 HE1 TYR 93 HE1 TYR 93 3.813 -9.848 4.062 700 HE2 TYR 93 HE2 TYR 93 6.884 -11.357 1.517 701 HH TYR 93 HH TYR 93 5.802 -12.181 4.021 702 H LEU 94 HN LEU 94 8.089 -4.489 0.617 703 HA LEU 94 HA LEU 94 6.204 -2.357 0.094 704 1HB LEU 94 HB2 LEU 94 8.089 -0.667 0.742 705 2HB LEU 94 HB1 LEU 94 6.983 -1.276 1.958 706 HG LEU 94 HG LEU 94 9.444 -2.860 1.626 707 1HD1 LEU 94 HD1 LEU 94 9.653 -0.034 1.758 708 2HD1 LEU 94 HD1 LEU 94 10.937 -1.239 1.838 709 3HD1 LEU 94 HD1 LEU 94 10.146 -0.695 3.317 710 1HD2 LEU 94 HD2 LEU 94 9.155 -3.283 3.847 711 2HD2 LEU 94 HD2 LEU 94 7.491 -2.887 3.409 712 3HD2 LEU 94 HD2 LEU 94 8.512 -1.675 4.185 713 H ILE 95 HN ILE 95 6.540 -1.363 -1.821 714 HA ILE 95 HA ILE 95 9.076 -1.872 -3.220 715 HB ILE 95 HB ILE 95 8.128 -2.673 -5.119 716 1HG1 ILE 95 HG1 ILE 95 5.468 -2.235 -5.401 717 2HG1 ILE 95 HG1 ILE 95 5.910 -0.809 -4.465 718 1HG2 ILE 95 HG2 ILE 95 6.349 -3.442 -2.850 719 2HG2 ILE 95 HG2 ILE 95 7.545 -4.403 -3.722 720 3HG2 ILE 95 HG2 ILE 95 5.996 -4.026 -4.478 721 1HD1 ILE 95 HD1 ILE 95 6.657 -1.568 -7.229 722 2HD1 ILE 95 HD1 ILE 95 7.812 -0.636 -6.275 723 3HD1 ILE 95 HD1 ILE 95 6.190 0.002 -6.564 724 H GLN 96 HN GLN 96 9.474 -0.345 -5.021 725 HA GLN 96 HA GLN 96 7.969 2.132 -4.974 726 1HB GLN 96 HB1 GLN 96 10.155 3.434 -4.617 727 2HB GLN 96 HB2 GLN 96 9.393 2.718 -3.204 728 1HG GLN 96 HG1 GLN 96 11.135 1.394 -2.795 729 2HG GLN 96 HG2 GLN 96 11.309 0.946 -4.491 730 1HE2 GLN 96 HE2 GLN 96 11.861 3.242 -5.735 731 2HE2 GLN 96 HE2 GLN 96 13.330 3.931 -5.146 732 H LYS 97 HN LYS 97 8.264 3.387 -6.815 733 HA LYS 97 HA LYS 97 10.076 2.273 -8.852 734 1HB LYS 97 HB1 LYS 97 7.661 1.787 -9.286 735 2HB LYS 97 HB2 LYS 97 7.367 3.519 -9.356 736 1HG LYS 97 HG2 LYS 97 9.526 2.802 -11.109 737 2HG LYS 97 HG1 LYS 97 8.094 1.828 -11.454 738 1HD LYS 97 HD2 LYS 97 7.089 3.556 -12.431 739 2HD LYS 97 HD1 LYS 97 7.349 4.568 -11.009 740 1HE LYS 97 HE1 LYS 97 8.365 5.478 -13.087 741 2HE LYS 97 HE2 LYS 97 9.522 5.213 -11.783 742 1HZ LYS 97 HZ1 LYS 97 10.559 3.573 -12.912 743 2HZ LYS 97 HZ2 LYS 97 9.942 4.395 -14.255 744 3HZ LYS 97 HZ3 LYS 97 9.149 3.022 -13.667 Start of MODEL 18 1 1H MET 1 HT1 MET 1 6.140 54.267 -1.988 2 2H MET 1 HT2 MET 1 4.963 53.780 -3.137 3 3H MET 1 HT3 MET 1 5.030 55.414 -2.617 4 HA MET 1 HA MET 1 6.122 55.680 -4.498 5 1HB MET 1 HB1 MET 1 8.119 54.605 -2.515 6 2HB MET 1 HB2 MET 1 8.624 55.251 -4.069 7 1HG MET 1 HG2 MET 1 8.772 57.188 -2.975 8 2HG MET 1 HG1 MET 1 7.021 57.244 -3.169 9 1HE MET 1 HE1 MET 1 9.862 55.844 -0.944 10 2HE MET 1 HE2 MET 1 9.393 56.423 0.655 11 3HE MET 1 HE3 MET 1 9.837 57.575 -0.605 12 H GLY 2 HN GLY 2 6.738 52.427 -3.249 13 1HA GLY 2 HA2 GLY 2 7.781 51.429 -5.726 14 2HA GLY 2 HA1 GLY 2 7.314 50.470 -4.330 15 H SER 3 HN SER 3 6.660 49.190 -6.407 16 HA SER 3 HA SER 3 3.885 49.895 -7.093 17 1HB SER 3 HB2 SER 3 5.994 49.388 -8.807 18 2HB SER 3 HB1 SER 3 5.141 47.845 -8.764 19 HG SER 3 HG SER 3 3.381 48.772 -9.611 20 H SER 4 HN SER 4 5.506 48.040 -5.020 21 HA SER 4 HA SER 4 3.612 45.794 -5.234 22 1HB SER 4 HB1 SER 4 6.471 45.889 -4.289 23 2HB SER 4 HB2 SER 4 5.390 44.586 -3.795 24 HG SER 4 HG SER 4 5.064 44.756 -6.355 25 H HIS 5 HN HIS 5 2.415 45.239 -3.470 26 HA HIS 5 HA HIS 5 2.716 46.956 -1.093 27 1HB HIS 5 HB2 HIS 5 0.475 46.554 -2.770 28 2HB HIS 5 HB1 HIS 5 0.113 45.743 -1.250 29 HD2 HIS 5 HD2 HIS 5 -0.851 47.359 0.653 30 HE1 HIS 5 HE1 HIS 5 0.461 51.016 -1.029 31 HE2 HIS 5 HE2 HIS 5 -0.866 49.947 0.850 32 H HIS 6 HN HIS 6 1.020 43.907 -1.825 33 HA HIS 6 HA HIS 6 2.561 42.581 0.283 34 1HB HIS 6 HB1 HIS 6 0.110 43.516 0.898 35 2HB HIS 6 HB2 HIS 6 -0.340 41.956 0.218 36 HD2 HIS 6 HD2 HIS 6 0.150 43.233 3.549 37 HE1 HIS 6 HE1 HIS 6 1.969 39.414 3.681 38 HE2 HIS 6 HE2 HIS 6 1.069 41.338 5.066 39 H HIS 7 HN HIS 7 3.611 41.215 -1.071 40 HA HIS 7 HA HIS 7 1.939 39.334 -2.598 41 1HB HIS 7 HB1 HIS 7 3.730 41.188 -3.690 42 2HB HIS 7 HB2 HIS 7 4.583 39.650 -3.742 43 HD2 HIS 7 HD2 HIS 7 3.547 37.741 -5.467 44 HE1 HIS 7 HE1 HIS 7 0.665 40.330 -7.174 45 HE2 HIS 7 HE2 HIS 7 1.814 38.078 -7.370 46 H HIS 8 HN HIS 8 3.846 39.617 -0.015 47 HA HIS 8 HA HIS 8 5.548 37.313 -0.398 48 1HB HIS 8 HB1 HIS 8 5.035 39.204 1.882 49 2HB HIS 8 HB2 HIS 8 5.936 37.713 2.140 50 HD2 HIS 8 HD2 HIS 8 6.305 40.453 -0.694 51 HE1 HIS 8 HE1 HIS 8 10.060 39.641 1.086 52 HE2 HIS 8 HE2 HIS 8 8.848 40.975 -0.698 53 H HIS 9 HN HIS 9 2.861 38.114 1.808 54 HA HIS 9 HA HIS 9 2.375 35.228 2.120 55 1HB HIS 9 HB1 HIS 9 2.107 37.554 3.950 56 2HB HIS 9 HB2 HIS 9 0.898 36.282 4.100 57 HD2 HIS 9 HD2 HIS 9 1.660 34.787 6.176 58 HE1 HIS 9 HE1 HIS 9 5.785 34.602 5.240 59 HE2 HIS 9 HE2 HIS 9 3.975 33.812 6.832 60 H HIS 10 HN HIS 10 1.340 37.658 0.283 61 HA HIS 10 HA HIS 10 -1.479 36.801 0.379 62 1HB HIS 10 HB2 HIS 10 -0.777 39.296 0.816 63 2HB HIS 10 HB1 HIS 10 -0.631 39.356 -0.938 64 HD2 HIS 10 HD2 HIS 10 -2.893 41.227 0.033 65 HE1 HIS 10 HE1 HIS 10 -5.573 38.025 -0.658 66 HE2 HIS 10 HE2 HIS 10 -5.369 40.527 -0.304 67 H SER 11 HN SER 11 -0.770 34.983 -0.960 68 HA SER 11 HA SER 11 0.241 35.427 -3.591 69 1HB SER 11 HB1 SER 11 -0.384 33.162 -1.915 70 2HB SER 11 HB2 SER 11 -1.046 32.918 -3.531 71 HG SER 11 HG SER 11 0.901 32.622 -4.240 72 H SER 12 HN SER 12 -0.963 34.630 -5.549 73 HA SER 12 HA SER 12 -3.726 35.642 -5.457 74 1HB SER 12 HB1 SER 12 -2.230 35.362 -8.032 75 2HB SER 12 HB2 SER 12 -3.456 36.543 -7.569 76 HG SER 12 HG SER 12 -1.499 37.587 -7.592 77 H GLY 13 HN GLY 13 -2.239 32.815 -5.302 78 1HA GLY 13 HA1 GLY 13 -4.082 31.466 -7.175 79 2HA GLY 13 HA2 GLY 13 -2.546 30.800 -6.642 80 H LEU 14 HN LEU 14 -3.563 28.886 -5.948 81 HA LEU 14 HA LEU 14 -5.250 29.188 -3.552 82 1HB LEU 14 HB2 LEU 14 -5.060 26.796 -5.382 83 2HB LEU 14 HB1 LEU 14 -6.166 26.996 -4.037 84 HG LEU 14 HG LEU 14 -6.355 29.094 -6.091 85 1HD1 LEU 14 HD1 LEU 14 -6.846 26.208 -6.726 86 2HD1 LEU 14 HD1 LEU 14 -6.026 27.435 -7.690 87 3HD1 LEU 14 HD1 LEU 14 -7.779 27.487 -7.503 88 1HD2 LEU 14 HD2 LEU 14 -8.825 28.199 -5.779 89 2HD2 LEU 14 HD2 LEU 14 -8.060 29.252 -4.589 90 3HD2 LEU 14 HD2 LEU 14 -8.127 27.512 -4.312 91 H VAL 15 HN VAL 15 -2.357 29.303 -3.573 92 HA VAL 15 HA VAL 15 -1.451 26.759 -2.530 93 HB VAL 15 HB VAL 15 0.157 29.288 -2.408 94 1HG1 VAL 15 HG2 VAL 15 1.018 26.455 -2.952 95 2HG1 VAL 15 HG2 VAL 15 0.917 27.144 -1.332 96 3HG1 VAL 15 HG2 VAL 15 2.030 27.832 -2.514 97 1HG2 VAL 15 HG1 VAL 15 0.272 27.528 -4.815 98 2HG2 VAL 15 HG1 VAL 15 0.739 29.218 -4.633 99 3HG2 VAL 15 HG1 VAL 15 -0.966 28.779 -4.716 100 HA PRO 16 HA PRO 16 -1.113 29.419 1.511 101 1HB PRO 16 HB1 PRO 16 -2.610 31.684 1.632 102 2HB PRO 16 HB2 PRO 16 -0.930 31.665 1.085 103 1HG PRO 16 HG1 PRO 16 -3.450 31.697 -0.531 104 2HG PRO 16 HG2 PRO 16 -1.955 32.620 -0.772 105 1HD PRO 16 HD1 PRO 16 -2.532 30.404 -2.205 106 2HD PRO 16 HD2 PRO 16 -0.869 30.843 -1.764 107 H ARG 17 HN ARG 17 -4.295 30.237 0.103 108 HA ARG 17 HA ARG 17 -5.543 28.654 2.252 109 1HB ARG 17 HB1 ARG 17 -6.336 31.220 0.930 110 2HB ARG 17 HB2 ARG 17 -7.586 30.167 1.576 111 1HG ARG 17 HG1 ARG 17 -6.785 30.384 3.773 112 2HG ARG 17 HG2 ARG 17 -5.253 31.072 3.231 113 1HD ARG 17 HD2 ARG 17 -6.136 33.085 3.560 114 2HD ARG 17 HD1 ARG 17 -7.200 32.765 2.191 115 HE ARG 17 HE ARG 17 -8.692 31.718 4.006 116 1HH1 ARG 17 HH1 ARG 17 -6.628 34.490 4.458 117 2HH1 ARG 17 HH1 ARG 17 -7.617 35.184 5.699 118 1HH2 ARG 17 HH2 ARG 17 -9.998 32.623 5.638 119 2HH2 ARG 17 HH2 ARG 17 -9.532 34.122 6.369 120 H GLY 18 HN GLY 18 -5.079 26.859 0.673 121 1HA GLY 18 HA1 GLY 18 -7.414 26.555 -1.091 122 2HA GLY 18 HA2 GLY 18 -5.809 26.221 -1.720 123 H SER 19 HN SER 19 -6.751 24.088 -2.159 124 HA SER 19 HA SER 19 -6.667 22.371 0.235 125 1HB SER 19 HB2 SER 19 -8.078 21.290 -2.113 126 2HB SER 19 HB1 SER 19 -8.539 21.270 -0.411 127 HG SER 19 HG SER 19 -9.531 23.164 -0.632 128 H HIS 20 HN HIS 20 -4.799 21.312 0.252 129 HA HIS 20 HA HIS 20 -3.347 20.744 -2.169 130 1HB HIS 20 HB2 HIS 20 -2.677 19.713 0.585 131 2HB HIS 20 HB1 HIS 20 -1.583 20.010 -0.762 132 HD2 HIS 20 HD2 HIS 20 -2.997 21.775 2.306 133 HE1 HIS 20 HE1 HIS 20 -0.961 24.671 -0.016 134 HE2 HIS 20 HE2 HIS 20 -2.062 24.194 2.220 135 H MET 21 HN MET 21 -3.270 18.886 -3.276 136 HA MET 21 HA MET 21 -4.513 16.500 -2.080 137 1HB MET 21 HB2 MET 21 -5.297 17.959 -4.455 138 2HB MET 21 HB1 MET 21 -4.878 16.298 -4.851 139 1HG MET 21 HG2 MET 21 -6.543 16.478 -2.484 140 2HG MET 21 HG1 MET 21 -7.301 17.203 -3.901 141 1HE MET 21 HE1 MET 21 -8.680 14.460 -5.803 142 2HE MET 21 HE2 MET 21 -7.379 15.468 -6.437 143 3HE MET 21 HE3 MET 21 -8.588 16.165 -5.359 144 H LYS 22 HN LYS 22 -2.952 15.057 -1.791 145 HA LYS 22 HA LYS 22 -0.500 15.063 -3.210 146 1HB LYS 22 HB1 LYS 22 -0.255 12.753 -2.096 147 2HB LYS 22 HB2 LYS 22 -0.372 14.165 -1.055 148 1HG LYS 22 HG2 LYS 22 -3.001 13.227 -1.510 149 2HG LYS 22 HG1 LYS 22 -1.996 11.837 -1.090 150 1HD LYS 22 HD1 LYS 22 -1.486 14.184 0.570 151 2HD LYS 22 HD2 LYS 22 -3.141 13.583 0.693 152 1HE LYS 22 HE2 LYS 22 -1.092 11.491 0.750 153 2HE LYS 22 HE1 LYS 22 -1.009 12.621 2.101 154 1HZ LYS 22 HZ1 LYS 22 -3.549 11.331 1.311 155 2HZ LYS 22 HZ2 LYS 22 -3.162 12.078 2.778 156 3HZ LYS 22 HZ3 LYS 22 -2.470 10.587 2.380 157 H ASN 23 HN ASN 23 0.312 12.914 -4.211 158 HA ASN 23 HA ASN 23 -1.568 12.231 -6.345 159 1HB ASN 23 HB2 ASN 23 1.267 12.668 -6.209 160 2HB ASN 23 HB1 ASN 23 0.960 11.046 -6.824 161 1HD2 ASN 23 HD2 ASN 23 0.248 10.793 -8.856 162 2HD2 ASN 23 HD2 ASN 23 -0.102 12.090 -9.942 163 H ILE 24 HN ILE 24 -0.229 9.795 -7.089 164 HA ILE 24 HA ILE 24 -1.607 7.998 -5.297 165 HB ILE 24 HB ILE 24 -0.645 6.242 -6.931 166 1HG1 ILE 24 HG1 ILE 24 -0.507 7.980 -9.159 167 2HG1 ILE 24 HG1 ILE 24 0.562 8.656 -7.933 168 1HG2 ILE 24 HG2 ILE 24 -2.421 6.729 -8.558 169 2HG2 ILE 24 HG2 ILE 24 -2.606 8.336 -7.857 170 3HG2 ILE 24 HG2 ILE 24 -2.973 6.907 -6.892 171 1HD1 ILE 24 HD1 ILE 24 2.097 7.232 -8.637 172 2HD1 ILE 24 HD1 ILE 24 0.928 6.360 -9.628 173 3HD1 ILE 24 HD1 ILE 24 1.127 5.942 -7.926 174 H VAL 25 HN VAL 25 0.109 8.880 -3.623 175 HA VAL 25 HA VAL 25 2.136 6.772 -3.409 176 HB VAL 25 HB VAL 25 3.423 8.623 -4.176 177 1HG1 VAL 25 HG1 VAL 25 1.539 10.166 -2.623 178 2HG1 VAL 25 HG1 VAL 25 2.592 10.672 -3.944 179 3HG1 VAL 25 HG1 VAL 25 3.202 10.647 -2.289 180 1HG2 VAL 25 HG2 VAL 25 4.096 7.282 -2.028 181 2HG2 VAL 25 HG2 VAL 25 3.891 8.848 -1.243 182 3HG2 VAL 25 HG2 VAL 25 5.051 8.668 -2.559 183 HA PRO 26 HA PRO 26 2.762 5.360 -2.244 184 1HB PRO 26 HB2 PRO 26 1.811 3.215 -0.927 185 2HB PRO 26 HB1 PRO 26 3.055 4.262 -0.238 186 1HG PRO 26 HG1 PRO 26 0.108 4.215 0.295 187 2HG PRO 26 HG2 PRO 26 1.450 4.366 1.445 188 1HD PRO 26 HD1 PRO 26 -0.008 6.492 0.554 189 2HD PRO 26 HD2 PRO 26 1.689 6.618 1.056 190 H ASP 27 HN ASP 27 2.162 3.598 -3.647 191 HA ASP 27 HA ASP 27 -0.156 4.092 -5.151 192 1HB ASP 27 HB2 ASP 27 2.012 2.927 -5.887 193 2HB ASP 27 HB1 ASP 27 1.324 1.467 -5.181 194 H TYR 28 HN TYR 28 0.531 0.947 -3.588 195 HA TYR 28 HA TYR 28 -2.235 0.963 -2.587 196 1HB TYR 28 HB1 TYR 28 -1.227 -0.696 -4.698 197 2HB TYR 28 HB2 TYR 28 -1.659 -1.706 -3.319 198 HD1 TYR 28 HD1 TYR 28 -3.967 -1.849 -2.555 199 HD2 TYR 28 HD2 TYR 28 -2.918 0.560 -5.901 200 HE1 TYR 28 HE1 TYR 28 -6.340 -1.699 -3.181 201 HE2 TYR 28 HE2 TYR 28 -5.288 0.718 -6.538 202 HH TYR 28 HH TYR 28 -7.605 -1.263 -5.507 203 H ARG 29 HN ARG 29 -2.648 -0.685 -0.922 204 HA ARG 29 HA ARG 29 -0.225 -1.524 0.503 205 1HB ARG 29 HB2 ARG 29 -1.483 -0.866 2.650 206 2HB ARG 29 HB1 ARG 29 -0.740 0.416 1.704 207 1HG ARG 29 HG2 ARG 29 -2.851 1.054 0.784 208 2HG ARG 29 HG1 ARG 29 -3.643 -0.349 1.505 209 1HD ARG 29 HD1 ARG 29 -2.508 0.825 3.685 210 2HD ARG 29 HD2 ARG 29 -2.911 2.229 2.696 211 HE ARG 29 HE ARG 29 -4.770 0.360 3.925 212 1HH1 ARG 29 HH1 ARG 29 -4.272 3.027 1.738 213 2HH1 ARG 29 HH1 ARG 29 -5.934 3.518 1.756 214 1HH2 ARG 29 HH2 ARG 29 -6.958 0.998 3.954 215 2HH2 ARG 29 HH2 ARG 29 -7.460 2.365 3.015 216 H LEU 30 HN LEU 30 -0.297 -3.616 0.932 217 HA LEU 30 HA LEU 30 -2.917 -4.932 1.185 218 1HB LEU 30 HB1 LEU 30 -0.841 -5.574 -0.484 219 2HB LEU 30 HB2 LEU 30 -0.532 -6.632 0.879 220 HG LEU 30 HG LEU 30 -1.920 -7.594 -1.038 221 1HD1 LEU 30 HD2 LEU 30 -2.203 -9.046 0.637 222 2HD1 LEU 30 HD2 LEU 30 -3.747 -8.243 0.917 223 3HD1 LEU 30 HD2 LEU 30 -2.326 -7.766 1.843 224 1HD2 LEU 30 HD1 LEU 30 -4.397 -6.552 0.028 225 2HD2 LEU 30 HD1 LEU 30 -3.842 -6.664 -1.642 226 3HD2 LEU 30 HD1 LEU 30 -3.393 -5.274 -0.655 227 H ASP 31 HN ASP 31 -2.968 -4.127 3.410 228 HA ASP 31 HA ASP 31 -1.108 -5.477 5.232 229 1HB ASP 31 HB2 ASP 31 -3.055 -3.547 6.335 230 2HB ASP 31 HB1 ASP 31 -1.331 -3.718 6.653 231 H MET 32 HN MET 32 -2.435 -7.459 4.593 232 HA MET 32 HA MET 32 -4.472 -7.848 6.649 233 1HB MET 32 HB2 MET 32 -4.853 -8.274 3.710 234 2HB MET 32 HB1 MET 32 -5.684 -9.325 4.849 235 1HG MET 32 HG2 MET 32 -6.183 -6.804 5.835 236 2HG MET 32 HG1 MET 32 -6.248 -6.584 4.087 237 1HE MET 32 HE1 MET 32 -8.838 -6.975 2.894 238 2HE MET 32 HE2 MET 32 -8.429 -5.790 4.134 239 3HE MET 32 HE3 MET 32 -9.909 -6.737 4.276 240 H VAL 33 HN VAL 33 -4.204 -10.285 4.266 241 HA VAL 33 HA VAL 33 -2.202 -11.754 5.827 242 HB VAL 33 HB VAL 33 -4.469 -12.477 6.527 243 1HG1 VAL 33 HG2 VAL 33 -6.068 -12.607 4.993 244 2HG1 VAL 33 HG2 VAL 33 -5.303 -14.088 4.418 245 3HG1 VAL 33 HG2 VAL 33 -4.896 -12.539 3.678 246 1HG2 VAL 33 HG1 VAL 33 -2.843 -14.108 6.864 247 2HG2 VAL 33 HG1 VAL 33 -2.633 -14.392 5.136 248 3HG2 VAL 33 HG1 VAL 33 -4.090 -14.958 5.952 249 H GLY 34 HN GLY 34 -0.804 -12.948 4.639 250 1HA GLY 34 HA2 GLY 34 -0.697 -12.491 1.820 251 2HA GLY 34 HA1 GLY 34 0.404 -13.494 2.754 252 H GLU 35 HN GLU 35 -2.813 -13.442 1.276 253 HA GLU 35 HA GLU 35 -3.222 -16.241 1.515 254 1HB GLU 35 HB2 GLU 35 -5.118 -14.749 1.410 255 2HB GLU 35 HB1 GLU 35 -4.578 -14.099 -0.134 256 1HG GLU 35 HG1 GLU 35 -5.813 -15.605 -1.159 257 2HG GLU 35 HG2 GLU 35 -4.781 -16.855 -0.470 258 HA PRO 36 HA PRO 36 -0.687 -17.690 -1.829 259 1HB PRO 36 HB2 PRO 36 -2.853 -19.703 -2.158 260 2HB PRO 36 HB1 PRO 36 -1.114 -19.942 -1.954 261 1HG PRO 36 HG1 PRO 36 -2.797 -20.415 0.054 262 2HG PRO 36 HG2 PRO 36 -1.216 -19.668 0.348 263 1HD PRO 36 HD1 PRO 36 -3.926 -18.413 0.284 264 2HD PRO 36 HD2 PRO 36 -2.538 -18.052 1.331 265 H CYS 37 HN CYS 37 -3.960 -16.707 -2.156 266 HA CYS 37 HA CYS 37 -4.113 -17.073 -5.008 267 1HB CYS 37 HB2 CYS 37 -5.887 -15.826 -2.932 268 2HB CYS 37 HB1 CYS 37 -6.205 -15.565 -4.643 269 HG CYS 37 HG CYS 37 -6.296 -18.377 -3.312 270 HA PRO 38 HA PRO 38 -2.290 -13.390 -6.566 271 1HB PRO 38 HB1 PRO 38 -4.837 -12.881 -8.020 272 2HB PRO 38 HB2 PRO 38 -3.186 -12.980 -8.640 273 1HG PRO 38 HG1 PRO 38 -4.901 -14.979 -9.023 274 2HG PRO 38 HG2 PRO 38 -3.195 -15.301 -8.663 275 1HD PRO 38 HD2 PRO 38 -5.583 -15.516 -6.884 276 2HD PRO 38 HD1 PRO 38 -4.131 -16.535 -6.954 277 H TYR 39 HN TYR 39 -5.610 -13.112 -5.385 278 HA TYR 39 HA TYR 39 -5.352 -10.248 -4.998 279 1HB TYR 39 HB2 TYR 39 -7.675 -10.675 -3.844 280 2HB TYR 39 HB1 TYR 39 -7.532 -10.724 -5.597 281 HD1 TYR 39 HD1 TYR 39 -8.054 -12.711 -2.568 282 HD2 TYR 39 HD2 TYR 39 -7.743 -12.813 -6.809 283 HE1 TYR 39 HE1 TYR 39 -9.019 -14.973 -2.578 284 HE2 TYR 39 HE2 TYR 39 -8.707 -15.075 -6.832 285 HH TYR 39 HH TYR 39 -9.122 -16.925 -3.967 286 HA PRO 40 HA PRO 40 -6.662 -8.894 -3.611 287 1HB PRO 40 HB2 PRO 40 -5.638 -7.023 -1.692 288 2HB PRO 40 HB1 PRO 40 -7.274 -7.666 -1.824 289 1HG PRO 40 HG1 PRO 40 -5.554 -8.211 0.255 290 2HG PRO 40 HG2 PRO 40 -6.913 -9.244 -0.220 291 1HD PRO 40 HD1 PRO 40 -4.002 -9.528 -0.857 292 2HD PRO 40 HD2 PRO 40 -5.192 -10.779 -0.434 293 H ALA 41 HN ALA 41 -3.466 -9.577 -3.474 294 HA ALA 41 HA ALA 41 -2.111 -7.229 -4.178 295 1HB ALA 41 HB1 ALA 41 -0.345 -8.582 -4.448 296 2HB ALA 41 HB2 ALA 41 -1.206 -9.658 -5.548 297 3HB ALA 41 HB3 ALA 41 -1.411 -9.831 -3.805 298 H VAL 42 HN VAL 42 -4.691 -8.413 -5.783 299 HA VAL 42 HA VAL 42 -4.048 -8.516 -8.476 300 HB VAL 42 HB VAL 42 -6.532 -7.293 -7.262 301 1HG1 VAL 42 HG1 VAL 42 -5.728 -7.939 -10.038 302 2HG1 VAL 42 HG1 VAL 42 -6.799 -6.676 -9.430 303 3HG1 VAL 42 HG1 VAL 42 -7.381 -8.336 -9.568 304 1HG2 VAL 42 HG2 VAL 42 -5.576 -10.027 -7.438 305 2HG2 VAL 42 HG2 VAL 42 -7.148 -9.814 -8.211 306 3HG2 VAL 42 HG2 VAL 42 -6.927 -9.357 -6.522 307 H ALA 43 HN ALA 43 -4.173 -5.812 -6.307 308 HA ALA 43 HA ALA 43 -4.250 -3.768 -8.314 309 1HB ALA 43 HB1 ALA 43 -3.940 -3.877 -5.379 310 2HB ALA 43 HB2 ALA 43 -4.961 -2.842 -6.378 311 3HB ALA 43 HB3 ALA 43 -3.246 -2.475 -6.196 312 H THR 44 HN THR 44 -1.755 -5.481 -6.538 313 HA THR 44 HA THR 44 0.460 -3.922 -7.166 314 HB THR 44 HB THR 44 0.233 -6.897 -6.739 315 HG1 THR 44 HG1 THR 44 0.347 -4.696 -5.112 316 1HG2 THR 44 HG2 THR 44 2.656 -5.174 -7.021 317 2HG2 THR 44 HG2 THR 44 2.319 -6.752 -7.731 318 3HG2 THR 44 HG2 THR 44 2.671 -6.618 -6.010 319 H LEU 45 HN LEU 45 -0.805 -6.786 -8.858 320 HA LEU 45 HA LEU 45 1.048 -6.791 -10.953 321 1HB LEU 45 HB1 LEU 45 -1.032 -8.393 -10.168 322 2HB LEU 45 HB2 LEU 45 -1.645 -7.707 -11.661 323 HG LEU 45 HG LEU 45 0.248 -8.579 -12.897 324 1HD1 LEU 45 HD2 LEU 45 1.432 -10.294 -10.944 325 2HD1 LEU 45 HD2 LEU 45 1.502 -8.626 -10.374 326 3HD1 LEU 45 HD2 LEU 45 2.191 -9.053 -11.941 327 1HD2 LEU 45 HD1 LEU 45 -1.082 -10.350 -13.093 328 2HD2 LEU 45 HD1 LEU 45 -1.603 -10.235 -11.411 329 3HD2 LEU 45 HD1 LEU 45 -0.123 -11.104 -11.819 330 H GLU 46 HN GLU 46 -2.362 -5.733 -11.127 331 HA GLU 46 HA GLU 46 -2.350 -4.622 -13.635 332 1HB GLU 46 HB2 GLU 46 -3.771 -3.467 -11.227 333 2HB GLU 46 HB1 GLU 46 -4.204 -3.216 -12.913 334 1HG GLU 46 HG2 GLU 46 -4.193 -5.910 -11.583 335 2HG GLU 46 HG1 GLU 46 -5.612 -4.868 -11.676 336 H ALA 47 HN ALA 47 -1.227 -3.210 -10.610 337 HA ALA 47 HA ALA 47 -0.787 -0.595 -11.249 338 1HB ALA 47 HB1 ALA 47 1.390 -2.165 -9.914 339 2HB ALA 47 HB2 ALA 47 -0.153 -1.887 -9.109 340 3HB ALA 47 HB3 ALA 47 0.850 -0.519 -9.588 341 H MET 48 HN MET 48 1.566 -3.202 -11.838 342 HA MET 48 HA MET 48 3.003 -1.555 -13.751 343 1HB MET 48 HB2 MET 48 3.465 -4.492 -13.566 344 2HB MET 48 HB1 MET 48 4.624 -3.186 -13.767 345 1HG MET 48 HG2 MET 48 3.205 -3.922 -11.217 346 2HG MET 48 HG1 MET 48 4.886 -4.271 -11.614 347 1HE MET 48 HE1 MET 48 6.015 -1.710 -9.204 348 2HE MET 48 HE2 MET 48 5.896 -3.397 -9.704 349 3HE MET 48 HE3 MET 48 4.583 -2.654 -8.792 350 HA PRO 49 HA PRO 49 3.796 -1.237 -15.512 351 1HB PRO 49 HB2 PRO 49 3.602 -0.393 -18.026 352 2HB PRO 49 HB1 PRO 49 4.304 -1.972 -17.657 353 1HG PRO 49 HG1 PRO 49 1.629 -1.296 -18.766 354 2HG PRO 49 HG2 PRO 49 2.652 -2.708 -19.079 355 1HD PRO 49 HD1 PRO 49 0.462 -2.545 -17.285 356 2HD PRO 49 HD2 PRO 49 1.608 -3.888 -17.454 357 H GLN 50 HN GLN 50 0.602 -0.918 -15.105 358 HA GLN 50 HA GLN 50 0.065 1.663 -16.210 359 1HB GLN 50 HB1 GLN 50 -1.318 0.128 -14.005 360 2HB GLN 50 HB2 GLN 50 -1.936 1.604 -14.733 361 1HG GLN 50 HG2 GLN 50 -1.793 0.337 -16.954 362 2HG GLN 50 HG1 GLN 50 -1.638 -1.110 -15.959 363 1HE2 GLN 50 HE2 GLN 50 -3.378 -1.798 -14.728 364 2HE2 GLN 50 HE2 GLN 50 -4.982 -1.215 -14.991 365 H LEU 51 HN LEU 51 2.344 1.064 -14.099 366 HA LEU 51 HA LEU 51 1.753 2.809 -11.930 367 1HB LEU 51 HB1 LEU 51 4.024 2.495 -11.258 368 2HB LEU 51 HB2 LEU 51 3.408 0.958 -11.833 369 HG LEU 51 HG LEU 51 4.909 2.674 -13.754 370 1HD1 LEU 51 HD1 LEU 51 6.561 0.816 -12.195 371 2HD1 LEU 51 HD1 LEU 51 6.032 2.253 -11.322 372 3HD1 LEU 51 HD1 LEU 51 6.937 2.419 -12.826 373 1HD2 LEU 51 HD2 LEU 51 4.069 -0.107 -13.470 374 2HD2 LEU 51 HD2 LEU 51 5.748 0.078 -13.975 375 3HD2 LEU 51 HD2 LEU 51 4.456 0.821 -14.919 376 H LYS 52 HN LYS 52 3.682 4.538 -11.521 377 HA LYS 52 HA LYS 52 3.692 6.296 -13.888 378 1HB LYS 52 HB2 LYS 52 3.040 6.857 -11.027 379 2HB LYS 52 HB1 LYS 52 3.811 8.122 -11.975 380 1HG LYS 52 HG2 LYS 52 1.966 7.827 -13.661 381 2HG LYS 52 HG1 LYS 52 1.160 6.799 -12.474 382 1HD LYS 52 HD2 LYS 52 0.561 8.544 -11.181 383 2HD LYS 52 HD1 LYS 52 2.086 9.391 -11.444 384 1HE LYS 52 HE1 LYS 52 -0.123 9.207 -13.484 385 2HE LYS 52 HE2 LYS 52 0.086 10.559 -12.372 386 1HZ LYS 52 HZ1 LYS 52 2.099 9.666 -14.364 387 2HZ LYS 52 HZ2 LYS 52 2.238 11.001 -13.335 388 3HZ LYS 52 HZ3 LYS 52 1.065 10.991 -14.553 389 H LYS 53 HN LYS 53 5.268 8.326 -12.700 390 HA LYS 53 HA LYS 53 7.877 7.083 -12.943 391 1HB LYS 53 HB2 LYS 53 6.756 9.753 -13.301 392 2HB LYS 53 HB1 LYS 53 8.287 9.778 -12.436 393 1HG LYS 53 HG1 LYS 53 9.471 8.967 -14.226 394 2HG LYS 53 HG2 LYS 53 8.061 8.177 -14.938 395 1HD LYS 53 HD2 LYS 53 7.460 10.916 -14.876 396 2HD LYS 53 HD1 LYS 53 9.129 10.799 -15.439 397 1HE LYS 53 HE1 LYS 53 6.822 9.236 -16.589 398 2HE LYS 53 HE2 LYS 53 7.446 10.740 -17.267 399 1HZ LYS 53 HZ1 LYS 53 8.328 8.706 -18.337 400 2HZ LYS 53 HZ2 LYS 53 9.080 8.293 -16.880 401 3HZ LYS 53 HZ3 LYS 53 9.535 9.703 -17.696 402 H GLY 54 HN GLY 54 6.260 6.588 -10.543 403 1HA GLY 54 HA2 GLY 54 8.147 6.487 -8.584 404 2HA GLY 54 HA1 GLY 54 7.453 8.090 -8.399 405 H GLU 55 HN GLU 55 6.918 4.671 -8.081 406 HA GLU 55 HA GLU 55 4.389 5.239 -6.689 407 1HB GLU 55 HB2 GLU 55 3.462 3.242 -7.427 408 2HB GLU 55 HB1 GLU 55 4.347 3.803 -8.836 409 1HG GLU 55 HG1 GLU 55 5.630 1.997 -8.865 410 2HG GLU 55 HG2 GLU 55 5.982 2.125 -7.142 411 H ILE 56 HN ILE 56 3.882 3.342 -5.098 412 HA ILE 56 HA ILE 56 6.151 2.189 -3.760 413 HB ILE 56 HB ILE 56 4.796 4.621 -2.649 414 1HG1 ILE 56 HG1 ILE 56 7.607 3.808 -2.065 415 2HG1 ILE 56 HG1 ILE 56 7.222 4.333 -3.699 416 1HG2 ILE 56 HG2 ILE 56 5.970 2.406 -0.983 417 2HG2 ILE 56 HG2 ILE 56 4.303 2.985 -0.961 418 3HG2 ILE 56 HG2 ILE 56 5.606 4.025 -0.387 419 1HD1 ILE 56 HD1 ILE 56 6.402 6.451 -2.840 420 2HD1 ILE 56 HD1 ILE 56 8.070 6.162 -2.347 421 3HD1 ILE 56 HD1 ILE 56 6.757 5.926 -1.194 422 H LEU 57 HN LEU 57 5.476 0.793 -1.956 423 HA LEU 57 HA LEU 57 2.604 0.295 -1.753 424 1HB LEU 57 HB2 LEU 57 4.034 -1.205 -3.462 425 2HB LEU 57 HB1 LEU 57 4.276 -2.125 -2.006 426 HG LEU 57 HG LEU 57 1.641 -1.911 -1.854 427 1HD1 LEU 57 HD2 LEU 57 1.286 -2.346 -4.591 428 2HD1 LEU 57 HD2 LEU 57 2.259 -0.881 -4.458 429 3HD1 LEU 57 HD2 LEU 57 0.703 -0.985 -3.632 430 1HD2 LEU 57 HD1 LEU 57 2.910 -3.997 -1.947 431 2HD2 LEU 57 HD1 LEU 57 3.057 -3.831 -3.696 432 3HD2 LEU 57 HD1 LEU 57 1.471 -4.074 -2.964 433 H GLU 58 HN GLU 58 2.062 -1.181 -0.027 434 HA GLU 58 HA GLU 58 4.159 -1.763 1.843 435 1HB GLU 58 HB1 GLU 58 1.814 -0.571 3.192 436 2HB GLU 58 HB2 GLU 58 3.521 -0.437 3.586 437 1HG GLU 58 HG1 GLU 58 3.841 1.371 2.191 438 2HG GLU 58 HG2 GLU 58 2.429 0.993 1.205 439 H VAL 59 HN VAL 59 3.880 -3.816 2.402 440 HA VAL 59 HA VAL 59 1.144 -4.907 2.430 441 HB VAL 59 HB VAL 59 3.698 -6.396 1.825 442 1HG1 VAL 59 HG2 VAL 59 2.477 -8.311 1.619 443 2HG1 VAL 59 HG2 VAL 59 0.997 -7.453 1.191 444 3HG1 VAL 59 HG2 VAL 59 1.532 -7.503 2.870 445 1HG2 VAL 59 HG1 VAL 59 3.066 -6.395 -0.465 446 2HG2 VAL 59 HG1 VAL 59 2.977 -4.723 0.090 447 3HG2 VAL 59 HG1 VAL 59 1.501 -5.669 -0.100 448 H VAL 60 HN VAL 60 0.485 -5.205 4.447 449 HA VAL 60 HA VAL 60 2.395 -6.323 6.395 450 HB VAL 60 HB VAL 60 -0.063 -4.918 7.331 451 1HG1 VAL 60 HG2 VAL 60 1.027 -5.759 9.143 452 2HG1 VAL 60 HG2 VAL 60 1.855 -4.205 9.025 453 3HG1 VAL 60 HG2 VAL 60 2.613 -5.660 8.375 454 1HG2 VAL 60 HG1 VAL 60 1.473 -2.827 7.462 455 2HG2 VAL 60 HG1 VAL 60 0.625 -3.186 5.958 456 3HG2 VAL 60 HG1 VAL 60 2.333 -3.594 6.127 457 H SER 61 HN SER 61 1.911 -8.451 5.875 458 HA SER 61 HA SER 61 -0.790 -9.310 6.646 459 1HB SER 61 HB1 SER 61 0.876 -10.260 4.309 460 2HB SER 61 HB2 SER 61 -0.554 -11.112 4.892 461 HG SER 61 HG SER 61 -0.646 -8.378 4.206 462 H ASP 62 HN ASP 62 -0.847 -11.746 6.987 463 HA ASP 62 HA ASP 62 1.555 -12.560 8.499 464 1HB ASP 62 HB2 ASP 62 -1.090 -12.246 9.395 465 2HB ASP 62 HB1 ASP 62 -0.816 -13.980 9.293 466 H CYS 63 HN CYS 63 2.557 -14.337 7.811 467 HA CYS 63 HA CYS 63 1.124 -16.555 6.675 468 1HB CYS 63 HB1 CYS 63 1.917 -16.496 4.479 469 2HB CYS 63 HB2 CYS 63 1.511 -14.812 4.794 470 HG CYS 63 HG CYS 63 4.288 -15.894 4.208 471 HA PRO 64 HA PRO 64 4.588 -18.662 8.442 472 1HB PRO 64 HB2 PRO 64 4.126 -20.893 6.609 473 2HB PRO 64 HB1 PRO 64 3.897 -20.820 8.358 474 1HG PRO 64 HG2 PRO 64 1.824 -20.968 6.629 475 2HG PRO 64 HG1 PRO 64 1.718 -20.107 8.176 476 1HD PRO 64 HD2 PRO 64 2.127 -19.008 5.419 477 2HD PRO 64 HD1 PRO 64 1.106 -18.394 6.737 478 H GLN 65 HN GLN 65 4.314 -18.245 4.995 479 HA GLN 65 HA GLN 65 6.921 -19.223 4.343 480 1HB GLN 65 HB2 GLN 65 4.615 -18.269 2.935 481 2HB GLN 65 HB1 GLN 65 6.032 -17.404 2.355 482 1HG GLN 65 HG1 GLN 65 6.830 -20.065 2.497 483 2HG GLN 65 HG2 GLN 65 5.191 -20.110 1.847 484 1HE2 GLN 65 HE2 GLN 65 4.885 -18.155 0.218 485 2HE2 GLN 65 HE2 GLN 65 6.087 -18.097 -1.023 486 H SER 66 HN SER 66 8.187 -17.466 2.824 487 HA SER 66 HA SER 66 8.956 -15.365 4.718 488 1HB SER 66 HB2 SER 66 10.393 -17.043 2.804 489 2HB SER 66 HB1 SER 66 10.828 -15.339 2.678 490 HG SER 66 HG SER 66 12.056 -16.620 4.236 491 H ILE 67 HN ILE 67 7.784 -15.883 1.465 492 HA ILE 67 HA ILE 67 7.598 -12.961 1.120 493 HB ILE 67 HB ILE 67 9.173 -14.130 -0.464 494 1HG1 ILE 67 HG1 ILE 67 7.130 -13.057 -2.272 495 2HG1 ILE 67 HG1 ILE 67 7.421 -12.038 -0.865 496 1HG2 ILE 67 HG2 ILE 67 8.327 -15.481 -2.228 497 2HG2 ILE 67 HG2 ILE 67 6.659 -15.187 -1.738 498 3HG2 ILE 67 HG2 ILE 67 7.719 -16.157 -0.717 499 1HD1 ILE 67 HD1 ILE 67 8.999 -11.171 -2.211 500 2HD1 ILE 67 HD1 ILE 67 9.168 -12.652 -3.155 501 3HD1 ILE 67 HD1 ILE 67 9.948 -12.516 -1.579 502 H ASN 68 HN ASN 68 5.705 -12.129 0.184 503 HA ASN 68 HA ASN 68 3.381 -13.883 0.495 504 1HB ASN 68 HB2 ASN 68 3.902 -11.026 0.901 505 2HB ASN 68 HB1 ASN 68 2.388 -11.351 0.065 506 1HD2 ASN 68 HD2 ASN 68 2.969 -14.024 1.860 507 2HD2 ASN 68 HD2 ASN 68 2.099 -13.610 3.292 508 H ASN 69 HN ASN 69 1.485 -13.199 -1.006 509 HA ASN 69 HA ASN 69 2.303 -13.793 -3.677 510 1HB ASN 69 HB2 ASN 69 0.145 -14.539 -2.563 511 2HB ASN 69 HB1 ASN 69 -0.443 -12.895 -2.796 512 1HD2 ASN 69 HD2 ASN 69 -0.066 -15.945 -4.169 513 2HD2 ASN 69 HD2 ASN 69 -0.557 -15.556 -5.780 514 H ILE 70 HN ILE 70 1.725 -10.891 -1.914 515 HA ILE 70 HA ILE 70 1.036 -9.212 -4.094 516 HB ILE 70 HB ILE 70 2.497 -7.899 -1.908 517 1HG1 ILE 70 HG1 ILE 70 1.514 -9.685 -0.584 518 2HG1 ILE 70 HG1 ILE 70 0.646 -8.182 -0.278 519 1HG2 ILE 70 HG2 ILE 70 0.358 -7.373 -3.747 520 2HG2 ILE 70 HG2 ILE 70 1.305 -6.245 -2.776 521 3HG2 ILE 70 HG2 ILE 70 -0.144 -6.989 -2.101 522 1HD1 ILE 70 HD1 ILE 70 -1.151 -8.912 -1.750 523 2HD1 ILE 70 HD1 ILE 70 -0.875 -10.062 -0.441 524 3HD1 ILE 70 HD1 ILE 70 -0.285 -10.416 -2.066 525 HA PRO 71 HA PRO 71 5.756 -8.051 -4.198 526 1HB PRO 71 HB1 PRO 71 7.033 -10.331 -2.841 527 2HB PRO 71 HB2 PRO 71 7.334 -8.601 -2.652 528 1HG PRO 71 HG1 PRO 71 6.107 -10.025 -0.742 529 2HG PRO 71 HG2 PRO 71 5.655 -8.345 -1.087 530 1HD PRO 71 HD1 PRO 71 4.293 -10.881 -1.918 531 2HD PRO 71 HD2 PRO 71 3.584 -9.367 -1.318 532 H LEU 72 HN LEU 72 4.870 -11.466 -4.127 533 HA LEU 72 HA LEU 72 6.641 -12.334 -6.153 534 1HB LEU 72 HB1 LEU 72 5.460 -13.806 -4.515 535 2HB LEU 72 HB2 LEU 72 3.969 -13.517 -5.391 536 HG LEU 72 HG LEU 72 5.805 -14.408 -7.317 537 1HD1 LEU 72 HD2 LEU 72 6.021 -16.744 -5.896 538 2HD1 LEU 72 HD2 LEU 72 6.383 -15.514 -4.685 539 3HD1 LEU 72 HD2 LEU 72 7.321 -15.585 -6.177 540 1HD2 LEU 72 HD1 LEU 72 4.025 -15.620 -7.858 541 2HD2 LEU 72 HD1 LEU 72 3.222 -14.950 -6.439 542 3HD2 LEU 72 HD1 LEU 72 4.073 -16.490 -6.324 543 H ASP 73 HN ASP 73 3.689 -10.588 -6.222 544 HA ASP 73 HA ASP 73 2.864 -11.293 -8.855 545 1HB ASP 73 HB2 ASP 73 1.962 -9.525 -6.739 546 2HB ASP 73 HB1 ASP 73 1.847 -8.744 -8.314 547 H ALA 74 HN ALA 74 4.201 -8.225 -7.611 548 HA ALA 74 HA ALA 74 4.740 -7.107 -10.132 549 1HB ALA 74 HB1 ALA 74 5.860 -5.404 -9.003 550 2HB ALA 74 HB2 ALA 74 6.368 -6.474 -7.696 551 3HB ALA 74 HB3 ALA 74 4.679 -5.983 -7.828 552 H ARG 75 HN ARG 75 6.732 -9.099 -7.997 553 HA ARG 75 HA ARG 75 9.166 -8.901 -9.339 554 1HB ARG 75 HB2 ARG 75 8.008 -10.576 -7.310 555 2HB ARG 75 HB1 ARG 75 8.921 -11.570 -8.438 556 1HG ARG 75 HG1 ARG 75 10.854 -10.021 -8.110 557 2HG ARG 75 HG2 ARG 75 9.927 -9.238 -6.828 558 1HD ARG 75 HD2 ARG 75 9.924 -11.186 -5.500 559 2HD ARG 75 HD1 ARG 75 10.466 -12.194 -6.842 560 HE ARG 75 HE ARG 75 12.206 -10.116 -5.692 561 1HH1 ARG 75 HH1 ARG 75 11.601 -13.424 -6.611 562 2HH1 ARG 75 HH1 ARG 75 13.226 -13.939 -6.309 563 1HH2 ARG 75 HH2 ARG 75 14.346 -10.788 -5.293 564 2HH2 ARG 75 HH2 ARG 75 14.788 -12.442 -5.560 565 H ASN 76 HN ASN 76 6.393 -11.004 -9.933 566 HA ASN 76 HA ASN 76 7.643 -12.498 -12.018 567 1HB ASN 76 HB2 ASN 76 5.428 -12.894 -10.520 568 2HB ASN 76 HB1 ASN 76 4.689 -12.275 -11.995 569 1HD2 ASN 76 HD2 ASN 76 6.509 -13.305 -13.851 570 2HD2 ASN 76 HD2 ASN 76 6.342 -15.024 -13.882 571 H HIS 77 HN HIS 77 5.179 -9.923 -12.025 572 HA HIS 77 HA HIS 77 5.095 -9.686 -14.846 573 1HB HIS 77 HB2 HIS 77 3.258 -8.945 -13.361 574 2HB HIS 77 HB1 HIS 77 4.291 -7.655 -12.751 575 HD2 HIS 77 HD2 HIS 77 1.797 -8.300 -15.523 576 HE1 HIS 77 HE1 HIS 77 3.897 -4.769 -16.538 577 HE2 HIS 77 HE2 HIS 77 1.897 -6.230 -17.083 578 H GLY 78 HN GLY 78 5.986 -6.975 -12.739 579 1HA GLY 78 HA2 GLY 78 8.637 -6.662 -13.549 580 2HA GLY 78 HA1 GLY 78 7.636 -5.806 -14.708 581 H TYR 79 HN TYR 79 8.953 -5.815 -11.530 582 HA TYR 79 HA TYR 79 7.519 -3.369 -10.801 583 1HB TYR 79 HB1 TYR 79 8.445 -3.731 -8.572 584 2HB TYR 79 HB2 TYR 79 7.700 -5.221 -9.152 585 HD1 TYR 79 HD1 TYR 79 10.797 -3.622 -8.133 586 HD2 TYR 79 HD2 TYR 79 9.128 -7.101 -9.920 587 HE1 TYR 79 HE1 TYR 79 12.906 -4.824 -7.746 588 HE2 TYR 79 HE2 TYR 79 11.231 -8.315 -9.536 589 HH TYR 79 HH TYR 79 13.407 -8.096 -8.963 590 H THR 80 HN THR 80 9.355 -2.209 -9.132 591 HA THR 80 HA THR 80 11.650 -1.543 -10.847 592 HB THR 80 HB THR 80 10.397 0.524 -9.072 593 HG1 THR 80 HG1 THR 80 9.467 -0.361 -11.566 594 1HG2 THR 80 HG2 THR 80 12.612 0.565 -10.690 595 2HG2 THR 80 HG2 THR 80 11.743 1.971 -10.071 596 3HG2 THR 80 HG2 THR 80 11.370 1.338 -11.675 597 H VAL 81 HN VAL 81 10.255 -1.640 -7.619 598 HA VAL 81 HA VAL 81 12.848 -2.398 -6.524 599 HB VAL 81 HB VAL 81 11.206 -0.108 -5.439 600 1HG1 VAL 81 HG1 VAL 81 13.279 -1.819 -4.153 601 2HG1 VAL 81 HG1 VAL 81 11.810 -1.121 -3.471 602 3HG1 VAL 81 HG1 VAL 81 13.220 -0.101 -3.758 603 1HG2 VAL 81 HG2 VAL 81 13.600 0.930 -5.567 604 2HG2 VAL 81 HG2 VAL 81 12.593 0.838 -7.012 605 3HG2 VAL 81 HG2 VAL 81 13.874 -0.346 -6.752 606 H LEU 82 HN LEU 82 12.458 -4.288 -5.581 607 HA LEU 82 HA LEU 82 9.945 -4.668 -4.099 608 1HB LEU 82 HB2 LEU 82 11.157 -6.219 -6.236 609 2HB LEU 82 HB1 LEU 82 10.893 -7.198 -4.809 610 HG LEU 82 HG LEU 82 9.049 -7.099 -6.631 611 1HD1 LEU 82 HD1 LEU 82 8.464 -8.290 -4.762 612 2HD1 LEU 82 HD1 LEU 82 7.301 -6.967 -4.682 613 3HD1 LEU 82 HD1 LEU 82 8.746 -6.933 -3.672 614 1HD2 LEU 82 HD2 LEU 82 9.052 -4.606 -6.730 615 2HD2 LEU 82 HD2 LEU 82 8.345 -4.594 -5.114 616 3HD2 LEU 82 HD2 LEU 82 7.465 -5.325 -6.456 617 H ASP 83 HN ASP 83 10.711 -4.250 -2.057 618 HA ASP 83 HA ASP 83 12.777 -6.095 -1.048 619 1HB ASP 83 HB1 ASP 83 12.307 -3.210 -0.262 620 2HB ASP 83 HB2 ASP 83 13.380 -4.307 0.601 621 H ILE 84 HN ILE 84 12.588 -6.515 1.330 622 HA ILE 84 HA ILE 84 9.876 -6.171 2.370 623 HB ILE 84 HB ILE 84 9.644 -8.504 2.975 624 1HG1 ILE 84 HG1 ILE 84 12.208 -8.975 1.434 625 2HG1 ILE 84 HG1 ILE 84 12.076 -8.993 3.190 626 1HG2 ILE 84 HG2 ILE 84 8.653 -7.926 0.908 627 2HG2 ILE 84 HG2 ILE 84 9.471 -9.469 0.657 628 3HG2 ILE 84 HG2 ILE 84 10.205 -7.977 0.069 629 1HD1 ILE 84 HD1 ILE 84 11.287 -11.016 1.212 630 2HD1 ILE 84 HD1 ILE 84 10.181 -10.787 2.566 631 3HD1 ILE 84 HD1 ILE 84 11.868 -11.201 2.867 632 H GLN 85 HN GLN 85 9.801 -7.351 4.624 633 HA GLN 85 HA GLN 85 12.254 -7.196 6.134 634 1HB GLN 85 HB1 GLN 85 10.680 -4.888 5.934 635 2HB GLN 85 HB2 GLN 85 10.276 -5.576 7.500 636 1HG GLN 85 HG2 GLN 85 12.337 -5.193 8.359 637 2HG GLN 85 HG1 GLN 85 13.145 -5.396 6.805 638 1HE2 GLN 85 HE2 GLN 85 12.921 -3.250 9.047 639 2HE2 GLN 85 HE2 GLN 85 12.781 -1.781 8.149 640 H GLN 86 HN GLN 86 11.337 -7.236 8.674 641 HA GLN 86 HA GLN 86 9.129 -9.140 8.813 642 1HB GLN 86 HB1 GLN 86 11.501 -10.254 8.606 643 2HB GLN 86 HB2 GLN 86 11.630 -9.823 10.306 644 1HG GLN 86 HG2 GLN 86 9.401 -11.019 10.604 645 2HG GLN 86 HG1 GLN 86 9.680 -11.680 8.994 646 1HE2 GLN 86 HE2 GLN 86 9.499 -13.643 10.475 647 2HE2 GLN 86 HE2 GLN 86 10.987 -14.266 11.092 648 H ASP 87 HN ASP 87 8.023 -9.134 10.729 649 HA ASP 87 HA ASP 87 8.947 -7.204 12.756 650 1HB ASP 87 HB1 ASP 87 6.245 -7.683 11.560 651 2HB ASP 87 HB2 ASP 87 6.347 -7.143 13.233 652 H GLY 88 HN GLY 88 6.725 -7.921 14.525 653 1HA GLY 88 HA1 GLY 88 7.972 -10.015 15.963 654 2HA GLY 88 HA2 GLY 88 6.383 -9.344 16.298 655 HA PRO 89 HA PRO 89 4.926 -13.247 14.740 656 1HB PRO 89 HB2 PRO 89 2.328 -12.935 15.231 657 2HB PRO 89 HB1 PRO 89 3.494 -13.012 16.557 658 1HG PRO 89 HG1 PRO 89 2.103 -10.647 15.385 659 2HG PRO 89 HG2 PRO 89 2.537 -10.972 17.072 660 1HD PRO 89 HD2 PRO 89 3.970 -9.364 15.267 661 2HD PRO 89 HD1 PRO 89 4.558 -9.970 16.828 662 H THR 90 HN THR 90 4.998 -10.619 12.959 663 HA THR 90 HA THR 90 3.341 -11.778 10.830 664 HB THR 90 HB THR 90 2.357 -9.703 10.245 665 HG1 THR 90 HG1 THR 90 4.080 -8.319 10.522 666 1HG2 THR 90 HG2 THR 90 0.920 -10.177 11.891 667 2HG2 THR 90 HG2 THR 90 1.664 -8.780 12.669 668 3HG2 THR 90 HG2 THR 90 2.196 -10.409 13.086 669 H ILE 91 HN ILE 91 3.787 -10.031 8.832 670 HA ILE 91 HA ILE 91 6.667 -9.578 8.628 671 HB ILE 91 HB ILE 91 6.468 -11.788 7.722 672 1HG1 ILE 91 HG1 ILE 91 6.476 -10.199 5.198 673 2HG1 ILE 91 HG1 ILE 91 7.654 -9.770 6.434 674 1HG2 ILE 91 HG2 ILE 91 4.954 -12.235 5.785 675 2HG2 ILE 91 HG2 ILE 91 4.209 -10.662 6.074 676 3HG2 ILE 91 HG2 ILE 91 4.118 -11.923 7.305 677 1HD1 ILE 91 HD1 ILE 91 8.775 -11.257 5.047 678 2HD1 ILE 91 HD1 ILE 91 7.382 -12.332 4.918 679 3HD1 ILE 91 HD1 ILE 91 8.288 -12.241 6.429 680 H ARG 92 HN ARG 92 7.249 -7.997 7.107 681 HA ARG 92 HA ARG 92 4.985 -6.551 5.903 682 1HB ARG 92 HB1 ARG 92 5.584 -5.089 7.578 683 2HB ARG 92 HB2 ARG 92 7.271 -5.583 7.554 684 1HG ARG 92 HG2 ARG 92 7.367 -4.426 5.266 685 2HG ARG 92 HG1 ARG 92 5.852 -3.662 5.755 686 1HD ARG 92 HD2 ARG 92 7.859 -3.567 7.844 687 2HD ARG 92 HD1 ARG 92 8.409 -2.791 6.358 688 HE ARG 92 HE ARG 92 5.849 -1.859 6.825 689 1HH1 ARG 92 HH1 ARG 92 8.935 -1.782 8.441 690 2HH1 ARG 92 HH1 ARG 92 8.634 -0.264 9.218 691 1HH2 ARG 92 HH2 ARG 92 5.444 0.138 7.845 692 2HH2 ARG 92 HH2 ARG 92 6.650 0.827 8.880 693 H TYR 93 HN TYR 93 5.256 -5.701 3.882 694 HA TYR 93 HA TYR 93 7.804 -6.170 2.505 695 1HB TYR 93 HB1 TYR 93 5.152 -6.604 1.136 696 2HB TYR 93 HB2 TYR 93 6.751 -7.115 0.608 697 HD1 TYR 93 HD1 TYR 93 4.267 -7.724 3.335 698 HD2 TYR 93 HD2 TYR 93 7.395 -9.310 0.932 699 HE1 TYR 93 HE1 TYR 93 3.869 -9.951 4.295 700 HE2 TYR 93 HE2 TYR 93 7.005 -11.541 1.882 701 HH TYR 93 HH TYR 93 5.607 -12.794 3.119 702 H LEU 94 HN LEU 94 8.108 -4.751 0.623 703 HA LEU 94 HA LEU 94 6.242 -2.583 0.255 704 1HB LEU 94 HB1 LEU 94 8.358 -0.986 0.659 705 2HB LEU 94 HB2 LEU 94 7.172 -1.342 1.899 706 HG LEU 94 HG LEU 94 9.353 -3.283 1.833 707 1HD1 LEU 94 HD1 LEU 94 10.345 -0.949 1.152 708 2HD1 LEU 94 HD1 LEU 94 11.160 -1.972 2.336 709 3HD1 LEU 94 HD1 LEU 94 10.166 -0.617 2.874 710 1HD2 LEU 94 HD2 LEU 94 9.210 -3.100 4.161 711 2HD2 LEU 94 HD2 LEU 94 7.553 -2.874 3.597 712 3HD2 LEU 94 HD2 LEU 94 8.521 -1.480 4.081 713 H ILE 95 HN ILE 95 6.513 -1.483 -1.637 714 HA ILE 95 HA ILE 95 8.879 -2.098 -3.251 715 HB ILE 95 HB ILE 95 7.812 -2.963 -5.042 716 1HG1 ILE 95 HG1 ILE 95 5.153 -2.475 -5.225 717 2HG1 ILE 95 HG1 ILE 95 5.649 -1.037 -4.336 718 1HG2 ILE 95 HG2 ILE 95 5.859 -4.382 -4.355 719 2HG2 ILE 95 HG2 ILE 95 5.903 -3.571 -2.789 720 3HG2 ILE 95 HG2 ILE 95 7.285 -4.526 -3.327 721 1HD1 ILE 95 HD1 ILE 95 7.502 -1.067 -6.292 722 2HD1 ILE 95 HD1 ILE 95 5.967 -0.196 -6.383 723 3HD1 ILE 95 HD1 ILE 95 6.128 -1.792 -7.127 724 H GLN 96 HN GLN 96 9.191 -0.568 -5.045 725 HA GLN 96 HA GLN 96 7.651 1.875 -4.974 726 1HB GLN 96 HB1 GLN 96 9.150 3.289 -4.007 727 2HB GLN 96 HB2 GLN 96 9.617 1.822 -3.160 728 1HG GLN 96 HG2 GLN 96 11.247 1.568 -5.216 729 2HG GLN 96 HG1 GLN 96 11.034 3.317 -5.295 730 1HE2 GLN 96 HE2 GLN 96 13.144 3.750 -4.726 731 2HE2 GLN 96 HE2 GLN 96 13.751 3.495 -3.130 732 H LYS 97 HN LYS 97 8.417 3.454 -6.614 733 HA LYS 97 HA LYS 97 9.880 2.136 -8.804 734 1HB LYS 97 HB1 LYS 97 7.792 2.156 -9.750 735 2HB LYS 97 HB2 LYS 97 7.260 3.542 -8.814 736 1HG LYS 97 HG1 LYS 97 7.345 4.237 -11.066 737 2HG LYS 97 HG2 LYS 97 8.740 4.964 -10.265 738 1HD LYS 97 HD1 LYS 97 10.052 2.935 -11.104 739 2HD LYS 97 HD2 LYS 97 8.671 2.636 -12.162 740 1HE LYS 97 HE2 LYS 97 9.692 4.001 -13.605 741 2HE LYS 97 HE1 LYS 97 9.148 5.306 -12.551 742 1HZ LYS 97 HZ1 LYS 97 11.751 4.654 -13.180 743 2HZ LYS 97 HZ2 LYS 97 11.551 4.166 -11.572 744 3HZ LYS 97 HZ3 LYS 97 11.233 5.767 -12.016 Start of MODEL 19 1 1H MET 1 HT1 MET 1 -15.332 -31.743 -25.466 2 2H MET 1 HT2 MET 1 -15.613 -30.590 -26.705 3 3H MET 1 HT3 MET 1 -16.123 -30.264 -25.100 4 HA MET 1 HA MET 1 -13.571 -30.713 -24.687 5 1HB MET 1 HB2 MET 1 -13.934 -29.704 -27.501 6 2HB MET 1 HB1 MET 1 -12.484 -29.328 -26.580 7 1HG MET 1 HG2 MET 1 -13.486 -32.052 -27.367 8 2HG MET 1 HG1 MET 1 -12.053 -31.222 -27.972 9 1HE MET 1 HE1 MET 1 -9.459 -31.614 -26.419 10 2HE MET 1 HE2 MET 1 -9.876 -30.914 -24.856 11 3HE MET 1 HE3 MET 1 -10.459 -30.164 -26.341 12 H GLY 2 HN GLY 2 -12.961 -29.098 -23.371 13 1HA GLY 2 HA2 GLY 2 -14.615 -26.686 -23.332 14 2HA GLY 2 HA1 GLY 2 -13.545 -27.231 -22.049 15 H SER 3 HN SER 3 -13.458 -26.024 -25.394 16 HA SER 3 HA SER 3 -10.746 -25.113 -25.134 17 1HB SER 3 HB1 SER 3 -12.472 -25.658 -27.267 18 2HB SER 3 HB2 SER 3 -12.207 -23.916 -27.341 19 HG SER 3 HG SER 3 -9.859 -24.796 -26.927 20 H SER 4 HN SER 4 -13.571 -23.964 -23.917 21 HA SER 4 HA SER 4 -13.209 -21.155 -24.412 22 1HB SER 4 HB2 SER 4 -15.247 -20.889 -23.425 23 2HB SER 4 HB1 SER 4 -15.362 -22.629 -23.693 24 HG SER 4 HG SER 4 -15.187 -22.969 -21.614 25 H HIS 5 HN HIS 5 -13.051 -19.611 -22.538 26 HA HIS 5 HA HIS 5 -11.179 -20.623 -20.501 27 1HB HIS 5 HB2 HIS 5 -10.955 -18.270 -22.320 28 2HB HIS 5 HB1 HIS 5 -10.328 -18.106 -20.683 29 HD2 HIS 5 HD2 HIS 5 -8.808 -20.871 -20.261 30 HE1 HIS 5 HE1 HIS 5 -6.930 -20.002 -23.954 31 HE2 HIS 5 HE2 HIS 5 -6.813 -21.394 -21.836 32 H HIS 6 HN HIS 6 -12.703 -17.465 -21.088 33 HA HIS 6 HA HIS 6 -14.165 -17.751 -18.558 34 1HB HIS 6 HB2 HIS 6 -13.600 -15.149 -18.391 35 2HB HIS 6 HB1 HIS 6 -12.540 -16.379 -17.709 36 HD2 HIS 6 HD2 HIS 6 -12.716 -14.147 -20.947 37 HE1 HIS 6 HE1 HIS 6 -8.718 -15.320 -20.205 38 HE2 HIS 6 HE2 HIS 6 -10.237 -13.917 -21.674 39 H HIS 7 HN HIS 7 -15.852 -16.004 -18.318 40 HA HIS 7 HA HIS 7 -17.154 -15.609 -20.918 41 1HB HIS 7 HB2 HIS 7 -18.121 -16.648 -18.530 42 2HB HIS 7 HB1 HIS 7 -18.781 -15.017 -18.572 43 HD2 HIS 7 HD2 HIS 7 -19.484 -14.831 -21.747 44 HE1 HIS 7 HE1 HIS 7 -21.753 -18.321 -20.972 45 HE2 HIS 7 HE2 HIS 7 -21.379 -16.395 -22.581 46 H HIS 8 HN HIS 8 -17.406 -13.638 -21.743 47 HA HIS 8 HA HIS 8 -16.366 -11.358 -20.326 48 1HB HIS 8 HB1 HIS 8 -16.300 -11.953 -22.907 49 2HB HIS 8 HB2 HIS 8 -17.828 -11.079 -22.915 50 HD2 HIS 8 HD2 HIS 8 -14.288 -10.323 -23.523 51 HE1 HIS 8 HE1 HIS 8 -15.879 -6.788 -21.823 52 HE2 HIS 8 HE2 HIS 8 -13.921 -7.792 -23.085 53 H HIS 9 HN HIS 9 -17.636 -10.665 -18.699 54 HA HIS 9 HA HIS 9 -20.456 -10.090 -19.328 55 1HB HIS 9 HB2 HIS 9 -19.323 -11.564 -17.185 56 2HB HIS 9 HB1 HIS 9 -19.967 -10.074 -16.504 57 HD2 HIS 9 HD2 HIS 9 -22.741 -9.706 -17.915 58 HE1 HIS 9 HE1 HIS 9 -23.429 -13.787 -17.029 59 HE2 HIS 9 HE2 HIS 9 -24.511 -11.589 -17.680 60 H HIS 10 HN HIS 10 -18.251 -8.344 -19.927 61 HA HIS 10 HA HIS 10 -18.680 -6.167 -17.996 62 1HB HIS 10 HB2 HIS 10 -16.316 -7.164 -19.049 63 2HB HIS 10 HB1 HIS 10 -16.605 -5.707 -19.996 64 HD2 HIS 10 HD2 HIS 10 -14.470 -6.378 -17.269 65 HE1 HIS 10 HE1 HIS 10 -16.428 -2.846 -16.002 66 HE2 HIS 10 HE2 HIS 10 -14.442 -4.377 -15.618 67 H SER 11 HN SER 11 -20.562 -5.272 -18.743 68 HA SER 11 HA SER 11 -20.551 -4.287 -21.518 69 1HB SER 11 HB2 SER 11 -22.951 -4.717 -19.723 70 2HB SER 11 HB1 SER 11 -22.977 -4.278 -21.431 71 HG SER 11 HG SER 11 -22.580 -6.288 -21.964 72 H SER 12 HN SER 12 -20.338 -3.366 -18.280 73 HA SER 12 HA SER 12 -21.624 -0.838 -18.387 74 1HB SER 12 HB2 SER 12 -20.256 -0.360 -16.325 75 2HB SER 12 HB1 SER 12 -21.217 -1.836 -16.235 76 HG SER 12 HG SER 12 -18.949 -1.978 -15.538 77 H GLY 13 HN GLY 13 -21.029 0.709 -19.762 78 1HA GLY 13 HA2 GLY 13 -18.135 1.177 -20.145 79 2HA GLY 13 HA1 GLY 13 -19.333 1.432 -21.406 80 H LEU 14 HN LEU 14 -19.194 2.391 -17.978 81 HA LEU 14 HA LEU 14 -19.682 5.159 -18.853 82 1HB LEU 14 HB1 LEU 14 -20.168 4.791 -16.053 83 2HB LEU 14 HB2 LEU 14 -21.274 5.316 -17.306 84 HG LEU 14 HG LEU 14 -21.166 2.589 -17.699 85 1HD1 LEU 14 HD1 LEU 14 -20.718 1.483 -15.825 86 2HD1 LEU 14 HD1 LEU 14 -21.781 2.527 -14.882 87 3HD1 LEU 14 HD1 LEU 14 -20.104 2.996 -15.160 88 1HD2 LEU 14 HD2 LEU 14 -23.206 3.673 -15.838 89 2HD2 LEU 14 HD2 LEU 14 -23.402 2.677 -17.280 90 3HD2 LEU 14 HD2 LEU 14 -23.074 4.403 -17.438 91 H VAL 15 HN VAL 15 -17.558 5.804 -19.098 92 HA VAL 15 HA VAL 15 -15.444 5.292 -17.351 93 HB VAL 15 HB VAL 15 -14.579 7.586 -18.270 94 1HG1 VAL 15 HG2 VAL 15 -13.574 6.451 -19.999 95 2HG1 VAL 15 HG2 VAL 15 -15.033 5.544 -20.397 96 3HG1 VAL 15 HG2 VAL 15 -14.091 5.115 -18.970 97 1HG2 VAL 15 HG1 VAL 15 -16.804 7.030 -20.224 98 2HG2 VAL 15 HG1 VAL 15 -15.626 8.340 -20.291 99 3HG2 VAL 15 HG1 VAL 15 -16.840 8.310 -19.012 100 HA PRO 16 HA PRO 16 -16.603 7.650 -13.760 101 1HB PRO 16 HB2 PRO 16 -14.115 7.798 -12.623 102 2HB PRO 16 HB1 PRO 16 -15.166 6.382 -12.514 103 1HG PRO 16 HG1 PRO 16 -12.866 6.903 -14.358 104 2HG PRO 16 HG2 PRO 16 -13.293 5.415 -13.493 105 1HD PRO 16 HD1 PRO 16 -13.845 5.747 -16.105 106 2HD PRO 16 HD2 PRO 16 -14.930 4.844 -15.027 107 H ARG 17 HN ARG 17 -16.806 9.776 -13.411 108 HA ARG 17 HA ARG 17 -15.151 11.598 -14.985 109 1HB ARG 17 HB1 ARG 17 -17.517 12.414 -13.322 110 2HB ARG 17 HB2 ARG 17 -16.862 13.191 -14.756 111 1HG ARG 17 HG2 ARG 17 -17.992 10.439 -14.963 112 2HG ARG 17 HG1 ARG 17 -19.076 11.830 -14.892 113 1HD ARG 17 HD2 ARG 17 -16.854 11.420 -16.890 114 2HD ARG 17 HD1 ARG 17 -18.576 11.197 -17.201 115 HE ARG 17 HE ARG 17 -17.691 13.824 -16.291 116 1HH1 ARG 17 HH2 ARG 17 -18.768 11.777 -18.898 117 2HH1 ARG 17 HH2 ARG 17 -19.180 13.101 -19.937 118 1HH2 ARG 17 HH1 ARG 17 -18.229 15.570 -17.653 119 2HH2 ARG 17 HH1 ARG 17 -18.873 15.256 -19.229 120 H GLY 18 HN GLY 18 -13.249 11.510 -13.722 121 1HA GLY 18 HA2 GLY 18 -13.315 12.198 -10.925 122 2HA GLY 18 HA1 GLY 18 -11.879 11.965 -11.911 123 H SER 19 HN SER 19 -12.819 14.101 -9.952 124 HA SER 19 HA SER 19 -12.416 16.414 -11.732 125 1HB SER 19 HB2 SER 19 -13.429 17.675 -9.677 126 2HB SER 19 HB1 SER 19 -14.505 16.811 -10.775 127 HG SER 19 HG SER 19 -14.180 14.991 -9.220 128 H HIS 20 HN HIS 20 -10.628 14.500 -10.004 129 HA HIS 20 HA HIS 20 -8.929 16.672 -9.000 130 1HB HIS 20 HB1 HIS 20 -10.137 14.494 -7.449 131 2HB HIS 20 HB2 HIS 20 -8.395 14.633 -7.233 132 HD2 HIS 20 HD2 HIS 20 -7.540 17.202 -6.268 133 HE1 HIS 20 HE1 HIS 20 -11.371 18.085 -4.699 134 HE2 HIS 20 HE2 HIS 20 -8.923 18.748 -4.710 135 H MET 21 HN MET 21 -6.667 15.852 -8.529 136 HA MET 21 HA MET 21 -5.905 13.630 -10.287 137 1HB MET 21 HB2 MET 21 -3.931 15.081 -11.024 138 2HB MET 21 HB1 MET 21 -5.503 15.460 -11.714 139 1HG MET 21 HG1 MET 21 -4.694 16.894 -9.249 140 2HG MET 21 HG2 MET 21 -3.890 17.323 -10.758 141 1HE MET 21 HE1 MET 21 -6.587 19.951 -9.614 142 2HE MET 21 HE2 MET 21 -5.452 18.911 -8.756 143 3HE MET 21 HE3 MET 21 -7.179 18.554 -8.715 144 H LYS 22 HN LYS 22 -6.035 13.216 -7.671 145 HA LYS 22 HA LYS 22 -3.452 13.771 -6.450 146 1HB LYS 22 HB2 LYS 22 -6.110 13.054 -5.509 147 2HB LYS 22 HB1 LYS 22 -4.860 12.077 -4.749 148 1HG LYS 22 HG1 LYS 22 -4.025 13.810 -3.579 149 2HG LYS 22 HG2 LYS 22 -4.324 14.971 -4.876 150 1HD LYS 22 HD2 LYS 22 -6.058 15.709 -3.691 151 2HD LYS 22 HD1 LYS 22 -6.856 14.172 -4.036 152 1HE LYS 22 HE2 LYS 22 -5.949 13.207 -2.011 153 2HE LYS 22 HE1 LYS 22 -5.044 14.683 -1.681 154 1HZ LYS 22 HZ1 LYS 22 -7.380 14.207 -0.590 155 2HZ LYS 22 HZ2 LYS 22 -7.935 14.927 -2.016 156 3HZ LYS 22 HZ3 LYS 22 -6.890 15.775 -0.991 157 H ASN 23 HN ASN 23 -4.168 11.768 -8.740 158 HA ASN 23 HA ASN 23 -3.158 9.297 -7.571 159 1HB ASN 23 HB1 ASN 23 -4.485 10.048 -10.133 160 2HB ASN 23 HB2 ASN 23 -3.425 8.642 -10.142 161 1HD2 ASN 23 HD2 ASN 23 -6.511 9.466 -9.954 162 2HD2 ASN 23 HD2 ASN 23 -7.128 8.203 -8.950 163 H ILE 24 HN ILE 24 -1.176 10.925 -7.238 164 HA ILE 24 HA ILE 24 0.569 11.044 -9.549 165 HB ILE 24 HB ILE 24 1.304 11.743 -6.712 166 1HG1 ILE 24 HG1 ILE 24 0.529 13.926 -8.535 167 2HG1 ILE 24 HG1 ILE 24 -0.800 12.888 -8.030 168 1HG2 ILE 24 HG2 ILE 24 3.214 11.639 -8.100 169 2HG2 ILE 24 HG2 ILE 24 2.818 13.351 -7.941 170 3HG2 ILE 24 HG2 ILE 24 2.395 12.481 -9.415 171 1HD1 ILE 24 HD1 ILE 24 -0.793 13.693 -5.946 172 2HD1 ILE 24 HD1 ILE 24 0.088 15.044 -6.660 173 3HD1 ILE 24 HD1 ILE 24 0.968 13.742 -5.861 174 H VAL 25 HN VAL 25 0.938 9.731 -6.247 175 HA VAL 25 HA VAL 25 2.726 7.675 -7.368 176 HB VAL 25 HB VAL 25 3.473 7.469 -4.900 177 1HG1 VAL 25 HG2 VAL 25 4.605 9.981 -5.576 178 2HG1 VAL 25 HG2 VAL 25 4.334 9.084 -7.071 179 3HG1 VAL 25 HG2 VAL 25 5.299 8.373 -5.776 180 1HG2 VAL 25 HG1 VAL 25 1.666 8.870 -3.986 181 2HG2 VAL 25 HG1 VAL 25 2.331 10.259 -4.845 182 3HG2 VAL 25 HG1 VAL 25 3.266 9.482 -3.569 183 HA PRO 26 HA PRO 26 -0.537 4.718 -6.595 184 1HB PRO 26 HB1 PRO 26 1.874 2.965 -6.337 185 2HB PRO 26 HB2 PRO 26 0.374 2.689 -7.230 186 1HG PRO 26 HG1 PRO 26 2.567 3.434 -8.518 187 2HG PRO 26 HG2 PRO 26 0.993 4.119 -8.962 188 1HD PRO 26 HD1 PRO 26 3.238 5.356 -7.436 189 2HD PRO 26 HD2 PRO 26 2.090 6.106 -8.562 190 H ASP 27 HN ASP 27 2.133 3.251 -4.811 191 HA ASP 27 HA ASP 27 2.361 2.687 -2.629 192 1HB ASP 27 HB2 ASP 27 2.435 5.239 -2.495 193 2HB ASP 27 HB1 ASP 27 0.754 5.156 -1.968 194 H TYR 28 HN TYR 28 0.969 0.864 -3.099 195 HA TYR 28 HA TYR 28 -1.797 1.233 -2.113 196 1HB TYR 28 HB1 TYR 28 -0.632 -0.395 -4.236 197 2HB TYR 28 HB2 TYR 28 -1.704 -1.311 -3.182 198 HD1 TYR 28 HD1 TYR 28 -3.997 -0.041 -2.640 199 HD2 TYR 28 HD2 TYR 28 -1.572 0.633 -6.071 200 HE1 TYR 28 HE1 TYR 28 -5.949 0.859 -3.835 201 HE2 TYR 28 HE2 TYR 28 -3.517 1.534 -7.275 202 HH TYR 28 HH TYR 28 -6.747 1.466 -5.864 203 H ARG 29 HN ARG 29 -2.545 0.165 -0.366 204 HA ARG 29 HA ARG 29 -0.535 -1.331 1.133 205 1HB ARG 29 HB2 ARG 29 -2.168 -0.902 3.065 206 2HB ARG 29 HB1 ARG 29 -1.300 0.480 2.411 207 1HG ARG 29 HG2 ARG 29 -3.897 -0.047 1.153 208 2HG ARG 29 HG1 ARG 29 -3.968 0.406 2.857 209 1HD ARG 29 HD2 ARG 29 -3.431 2.527 2.419 210 2HD ARG 29 HD1 ARG 29 -2.113 2.054 1.347 211 HE ARG 29 HE ARG 29 -3.855 1.774 -0.400 212 1HH1 ARG 29 HH1 ARG 29 -4.459 3.829 2.349 213 2HH1 ARG 29 HH1 ARG 29 -5.621 4.812 1.521 214 1HH2 ARG 29 HH2 ARG 29 -5.383 3.062 -1.496 215 2HH2 ARG 29 HH2 ARG 29 -6.146 4.376 -0.664 216 H LEU 30 HN LEU 30 -0.768 -3.346 1.806 217 HA LEU 30 HA LEU 30 -3.335 -4.720 1.417 218 1HB LEU 30 HB2 LEU 30 -1.478 -5.174 -0.369 219 2HB LEU 30 HB1 LEU 30 -0.725 -6.118 0.901 220 HG LEU 30 HG LEU 30 -2.155 -7.387 -0.787 221 1HD1 LEU 30 HD2 LEU 30 -3.362 -8.625 1.199 222 2HD1 LEU 30 HD2 LEU 30 -2.344 -7.573 2.181 223 3HD1 LEU 30 HD2 LEU 30 -1.608 -8.679 1.021 224 1HD2 LEU 30 HD1 LEU 30 -4.334 -5.985 0.759 225 2HD2 LEU 30 HD1 LEU 30 -4.590 -7.414 -0.240 226 3HD2 LEU 30 HD1 LEU 30 -4.030 -5.913 -0.976 227 H ASP 31 HN ASP 31 -3.564 -4.304 3.704 228 HA ASP 31 HA ASP 31 -1.680 -5.727 5.431 229 1HB ASP 31 HB1 ASP 31 -3.829 -4.165 6.701 230 2HB ASP 31 HB2 ASP 31 -2.098 -4.174 7.023 231 H MET 32 HN MET 32 -2.649 -7.785 4.657 232 HA MET 32 HA MET 32 -4.838 -8.534 6.437 233 1HB MET 32 HB1 MET 32 -4.854 -8.704 3.476 234 2HB MET 32 HB2 MET 32 -5.491 -10.091 4.348 235 1HG MET 32 HG1 MET 32 -7.388 -9.038 4.771 236 2HG MET 32 HG2 MET 32 -6.534 -7.653 5.449 237 1HE MET 32 HE1 MET 32 -8.711 -8.810 2.289 238 2HE MET 32 HE2 MET 32 -9.293 -7.146 2.318 239 3HE MET 32 HE3 MET 32 -9.228 -8.083 3.810 240 H VAL 33 HN VAL 33 -4.139 -10.880 4.135 241 HA VAL 33 HA VAL 33 -2.032 -12.111 5.764 242 HB VAL 33 HB VAL 33 -4.478 -13.594 4.783 243 1HG1 VAL 33 HG1 VAL 33 -2.376 -14.905 4.827 244 2HG1 VAL 33 HG1 VAL 33 -3.591 -15.497 5.960 245 3HG1 VAL 33 HG1 VAL 33 -2.226 -14.546 6.547 246 1HG2 VAL 33 HG2 VAL 33 -3.806 -12.333 7.386 247 2HG2 VAL 33 HG2 VAL 33 -4.627 -13.894 7.413 248 3HG2 VAL 33 HG2 VAL 33 -5.367 -12.522 6.587 249 H GLY 34 HN GLY 34 -0.447 -13.033 4.592 250 1HA GLY 34 HA2 GLY 34 -0.199 -12.587 1.849 251 2HA GLY 34 HA1 GLY 34 0.774 -13.721 2.772 252 H GLU 35 HN GLU 35 -1.693 -13.352 0.449 253 HA GLU 35 HA GLU 35 -2.100 -16.269 0.409 254 1HB GLU 35 HB1 GLU 35 -4.208 -15.524 1.007 255 2HB GLU 35 HB2 GLU 35 -4.049 -14.022 0.111 256 1HG GLU 35 HG2 GLU 35 -4.720 -14.954 -1.854 257 2HG GLU 35 HG1 GLU 35 -4.133 -16.560 -1.423 258 HA PRO 36 HA PRO 36 -0.342 -15.988 -3.660 259 1HB PRO 36 HB2 PRO 36 -1.528 -18.622 -4.164 260 2HB PRO 36 HB1 PRO 36 0.172 -18.160 -4.074 261 1HG PRO 36 HG2 PRO 36 -1.005 -19.656 -2.168 262 2HG PRO 36 HG1 PRO 36 0.281 -18.494 -1.796 263 1HD PRO 36 HD2 PRO 36 -2.682 -18.217 -1.448 264 2HD PRO 36 HD1 PRO 36 -1.369 -17.717 -0.362 265 H CYS 37 HN CYS 37 -3.696 -16.899 -3.143 266 HA CYS 37 HA CYS 37 -4.625 -16.939 -5.758 267 1HB CYS 37 HB1 CYS 37 -5.810 -16.571 -3.092 268 2HB CYS 37 HB2 CYS 37 -6.741 -15.854 -4.403 269 HG CYS 37 HG CYS 37 -6.868 -18.253 -5.486 270 HA PRO 38 HA PRO 38 -4.292 -12.739 -7.101 271 1HB PRO 38 HB2 PRO 38 -6.080 -12.746 -9.126 272 2HB PRO 38 HB1 PRO 38 -4.528 -13.584 -9.230 273 1HG PRO 38 HG1 PRO 38 -7.244 -14.690 -8.618 274 2HG PRO 38 HG2 PRO 38 -5.981 -15.348 -9.674 275 1HD PRO 38 HD1 PRO 38 -6.413 -16.246 -7.144 276 2HD PRO 38 HD2 PRO 38 -4.814 -16.264 -7.914 277 H TYR 39 HN TYR 39 -5.236 -11.972 -5.051 278 HA TYR 39 HA TYR 39 -7.800 -10.670 -5.557 279 1HB TYR 39 HB1 TYR 39 -7.643 -12.867 -3.876 280 2HB TYR 39 HB2 TYR 39 -7.578 -11.499 -2.769 281 HD1 TYR 39 HD1 TYR 39 -9.406 -9.693 -3.046 282 HD2 TYR 39 HD2 TYR 39 -9.696 -13.607 -4.688 283 HE1 TYR 39 HE1 TYR 39 -11.848 -9.439 -3.204 284 HE2 TYR 39 HE2 TYR 39 -12.138 -13.364 -4.851 285 HH TYR 39 HH TYR 39 -13.892 -11.321 -3.251 286 HA PRO 40 HA PRO 40 -5.454 -8.176 -2.180 287 1HB PRO 40 HB1 PRO 40 -3.011 -8.994 -1.376 288 2HB PRO 40 HB2 PRO 40 -4.501 -9.584 -0.631 289 1HG PRO 40 HG2 PRO 40 -2.766 -10.889 -2.690 290 2HG PRO 40 HG1 PRO 40 -3.534 -11.602 -1.259 291 1HD PRO 40 HD1 PRO 40 -4.548 -11.844 -3.771 292 2HD PRO 40 HD2 PRO 40 -5.558 -11.840 -2.313 293 H ALA 41 HN ALA 41 -2.503 -9.548 -3.566 294 HA ALA 41 HA ALA 41 -1.358 -7.155 -4.358 295 1HB ALA 41 HB1 ALA 41 -0.215 -8.928 -6.071 296 2HB ALA 41 HB2 ALA 41 -0.848 -9.998 -4.821 297 3HB ALA 41 HB3 ALA 41 0.260 -8.697 -4.389 298 H VAL 42 HN VAL 42 -4.165 -8.181 -5.643 299 HA VAL 42 HA VAL 42 -3.884 -8.099 -8.408 300 HB VAL 42 HB VAL 42 -6.154 -7.120 -6.675 301 1HG1 VAL 42 HG1 VAL 42 -7.028 -6.132 -8.468 302 2HG1 VAL 42 HG1 VAL 42 -7.146 -7.724 -9.215 303 3HG1 VAL 42 HG1 VAL 42 -5.724 -6.721 -9.497 304 1HG2 VAL 42 HG2 VAL 42 -5.752 -9.637 -8.284 305 2HG2 VAL 42 HG2 VAL 42 -7.230 -9.207 -7.425 306 3HG2 VAL 42 HG2 VAL 42 -5.740 -9.499 -6.526 307 H ALA 43 HN ALA 43 -3.729 -5.562 -6.034 308 HA ALA 43 HA ALA 43 -3.989 -3.372 -7.865 309 1HB ALA 43 HB1 ALA 43 -3.563 -3.723 -5.008 310 2HB ALA 43 HB2 ALA 43 -4.390 -2.433 -5.881 311 3HB ALA 43 HB3 ALA 43 -2.638 -2.382 -5.684 312 H THR 44 HN THR 44 -1.369 -5.292 -6.568 313 HA THR 44 HA THR 44 0.782 -3.662 -7.364 314 HB THR 44 HB THR 44 1.150 -6.605 -7.385 315 HG1 THR 44 HG1 THR 44 0.766 -5.378 -4.901 316 1HG2 THR 44 HG2 THR 44 2.582 -4.251 -6.252 317 2HG2 THR 44 HG2 THR 44 3.175 -5.523 -7.319 318 3HG2 THR 44 HG2 THR 44 2.879 -5.869 -5.615 319 H LEU 45 HN LEU 45 -0.665 -6.519 -8.915 320 HA LEU 45 HA LEU 45 0.945 -6.507 -11.204 321 1HB LEU 45 HB2 LEU 45 -1.876 -7.512 -10.847 322 2HB LEU 45 HB1 LEU 45 -0.854 -7.883 -12.221 323 HG LEU 45 HG LEU 45 -0.130 -8.609 -9.384 324 1HD1 LEU 45 HD1 LEU 45 -2.282 -9.652 -10.353 325 2HD1 LEU 45 HD1 LEU 45 -1.060 -10.716 -9.654 326 3HD1 LEU 45 HD1 LEU 45 -1.185 -10.546 -11.405 327 1HD2 LEU 45 HD2 LEU 45 0.976 -9.307 -12.088 328 2HD2 LEU 45 HD2 LEU 45 1.314 -10.269 -10.649 329 3HD2 LEU 45 HD2 LEU 45 1.808 -8.578 -10.714 330 H GLU 46 HN GLU 46 -2.421 -5.324 -10.866 331 HA GLU 46 HA GLU 46 -2.731 -4.252 -13.388 332 1HB GLU 46 HB1 GLU 46 -4.464 -2.836 -12.470 333 2HB GLU 46 HB2 GLU 46 -4.534 -4.412 -11.695 334 1HG GLU 46 HG2 GLU 46 -3.518 -3.562 -9.711 335 2HG GLU 46 HG1 GLU 46 -3.185 -2.013 -10.487 336 H ALA 47 HN ALA 47 -1.197 -2.827 -10.546 337 HA ALA 47 HA ALA 47 -0.725 -0.249 -11.307 338 1HB ALA 47 HB1 ALA 47 1.747 -1.300 -10.330 339 2HB ALA 47 HB2 ALA 47 0.413 -2.044 -9.449 340 3HB ALA 47 HB3 ALA 47 0.567 -0.287 -9.496 341 H MET 48 HN MET 48 1.181 -3.096 -12.226 342 HA MET 48 HA MET 48 2.624 -1.598 -14.259 343 1HB MET 48 HB2 MET 48 2.733 -4.507 -14.474 344 2HB MET 48 HB1 MET 48 4.042 -3.345 -14.322 345 1HG MET 48 HG2 MET 48 3.929 -3.368 -11.971 346 2HG MET 48 HG1 MET 48 2.375 -4.201 -11.980 347 1HE MET 48 HE1 MET 48 5.922 -5.757 -13.998 348 2HE MET 48 HE2 MET 48 6.556 -5.585 -12.361 349 3HE MET 48 HE3 MET 48 5.842 -4.197 -13.180 350 HA PRO 49 HA PRO 49 3.173 -1.244 -16.075 351 1HB PRO 49 HB1 PRO 49 2.768 -0.232 -18.499 352 2HB PRO 49 HB2 PRO 49 3.291 -1.908 -18.299 353 1HG PRO 49 HG1 PRO 49 0.612 -0.828 -19.005 354 2HG PRO 49 HG2 PRO 49 1.383 -2.344 -19.505 355 1HD PRO 49 HD2 PRO 49 -0.510 -1.982 -17.417 356 2HD PRO 49 HD1 PRO 49 0.390 -3.460 -17.805 357 H GLN 50 HN GLN 50 0.094 -0.566 -15.283 358 HA GLN 50 HA GLN 50 -0.173 2.149 -16.163 359 1HB GLN 50 HB1 GLN 50 -1.620 0.815 -13.875 360 2HB GLN 50 HB2 GLN 50 -2.143 2.222 -14.792 361 1HG GLN 50 HG2 GLN 50 -1.742 -0.471 -16.055 362 2HG GLN 50 HG1 GLN 50 -3.271 0.025 -15.329 363 1HE2 GLN 50 HE2 GLN 50 -4.252 2.002 -16.177 364 2HE2 GLN 50 HE2 GLN 50 -4.063 2.367 -17.856 365 H LEU 51 HN LEU 51 2.318 1.486 -14.581 366 HA LEU 51 HA LEU 51 2.033 2.774 -12.055 367 1HB LEU 51 HB1 LEU 51 4.617 2.886 -12.261 368 2HB LEU 51 HB2 LEU 51 3.824 1.343 -12.041 369 HG LEU 51 HG LEU 51 5.746 1.558 -13.753 370 1HD1 LEU 51 HD1 LEU 51 4.297 0.025 -15.346 371 2HD1 LEU 51 HD1 LEU 51 3.199 0.086 -13.967 372 3HD1 LEU 51 HD1 LEU 51 4.844 -0.511 -13.758 373 1HD2 LEU 51 HD2 LEU 51 3.531 2.402 -15.582 374 2HD2 LEU 51 HD2 LEU 51 5.253 2.259 -15.932 375 3HD2 LEU 51 HD2 LEU 51 4.671 3.548 -14.879 376 H LYS 52 HN LYS 52 4.343 4.428 -12.063 377 HA LYS 52 HA LYS 52 3.707 6.581 -13.935 378 1HB LYS 52 HB1 LYS 52 2.855 6.573 -11.247 379 2HB LYS 52 HB2 LYS 52 4.212 7.687 -11.323 380 1HG LYS 52 HG1 LYS 52 2.214 7.968 -13.466 381 2HG LYS 52 HG2 LYS 52 1.662 8.373 -11.840 382 1HD LYS 52 HD2 LYS 52 2.826 10.276 -11.824 383 2HD LYS 52 HD1 LYS 52 4.287 9.470 -12.398 384 1HE LYS 52 HE1 LYS 52 3.966 10.163 -14.495 385 2HE LYS 52 HE2 LYS 52 2.263 9.712 -14.467 386 1HZ LYS 52 HZ1 LYS 52 3.155 12.233 -14.578 387 2HZ LYS 52 HZ2 LYS 52 2.922 12.058 -12.912 388 3HZ LYS 52 HZ3 LYS 52 1.637 11.791 -13.978 389 H LYS 53 HN LYS 53 5.368 8.480 -12.499 390 HA LYS 53 HA LYS 53 7.965 7.444 -13.322 391 1HB LYS 53 HB1 LYS 53 6.763 10.126 -12.953 392 2HB LYS 53 HB2 LYS 53 8.479 9.994 -12.590 393 1HG LYS 53 HG2 LYS 53 8.758 8.942 -14.865 394 2HG LYS 53 HG1 LYS 53 7.092 9.427 -15.193 395 1HD LYS 53 HD1 LYS 53 7.686 11.547 -15.562 396 2HD LYS 53 HD2 LYS 53 8.667 11.602 -14.096 397 1HE LYS 53 HE1 LYS 53 9.846 11.943 -16.348 398 2HE LYS 53 HE2 LYS 53 10.571 10.825 -15.192 399 1HZ LYS 53 HZ1 LYS 53 8.685 9.652 -17.059 400 2HZ LYS 53 HZ2 LYS 53 10.174 9.067 -16.512 401 3HZ LYS 53 HZ3 LYS 53 10.122 10.225 -17.744 402 H GLY 54 HN GLY 54 6.696 6.500 -10.866 403 1HA GLY 54 HA2 GLY 54 8.725 6.099 -9.165 404 2HA GLY 54 HA1 GLY 54 8.208 7.714 -8.703 405 H GLU 55 HN GLU 55 6.973 4.422 -9.206 406 HA GLU 55 HA GLU 55 4.629 4.913 -7.617 407 1HB GLU 55 HB1 GLU 55 3.923 2.807 -8.246 408 2HB GLU 55 HB2 GLU 55 4.983 3.224 -9.580 409 1HG GLU 55 HG1 GLU 55 6.480 1.928 -7.508 410 2HG GLU 55 HG2 GLU 55 5.082 0.953 -7.959 411 H ILE 56 HN ILE 56 4.084 3.267 -5.888 412 HA ILE 56 HA ILE 56 6.271 2.400 -4.213 413 HB ILE 56 HB ILE 56 4.433 4.648 -3.384 414 1HG1 ILE 56 HG1 ILE 56 7.419 4.490 -3.044 415 2HG1 ILE 56 HG1 ILE 56 6.691 5.057 -4.544 416 1HG2 ILE 56 HG2 ILE 56 6.214 3.013 -1.586 417 2HG2 ILE 56 HG2 ILE 56 4.450 2.983 -1.598 418 3HG2 ILE 56 HG2 ILE 56 5.305 4.449 -1.119 419 1HD1 ILE 56 HD1 ILE 56 5.639 6.348 -2.146 420 2HD1 ILE 56 HD1 ILE 56 6.168 7.042 -3.679 421 3HD1 ILE 56 HD1 ILE 56 7.354 6.631 -2.441 422 H LEU 57 HN LEU 57 5.375 1.203 -2.281 423 HA LEU 57 HA LEU 57 2.594 0.571 -2.305 424 1HB LEU 57 HB1 LEU 57 3.347 -0.763 -4.203 425 2HB LEU 57 HB2 LEU 57 4.523 -1.545 -3.192 426 HG LEU 57 HG LEU 57 2.287 -2.101 -1.818 427 1HD1 LEU 57 HD2 LEU 57 0.415 -1.956 -2.989 428 2HD1 LEU 57 HD2 LEU 57 1.150 -2.744 -4.387 429 3HD1 LEU 57 HD2 LEU 57 1.321 -0.998 -4.166 430 1HD2 LEU 57 HD1 LEU 57 3.618 -3.910 -2.237 431 2HD2 LEU 57 HD1 LEU 57 3.790 -3.523 -3.949 432 3HD2 LEU 57 HD1 LEU 57 2.295 -4.244 -3.354 433 H GLU 58 HN GLU 58 2.029 -1.020 -0.662 434 HA GLU 58 HA GLU 58 4.013 -1.468 1.401 435 1HB GLU 58 HB1 GLU 58 1.937 -0.454 2.874 436 2HB GLU 58 HB2 GLU 58 3.408 0.419 2.449 437 1HG GLU 58 HG2 GLU 58 2.378 1.464 0.599 438 2HG GLU 58 HG1 GLU 58 1.020 0.349 0.669 439 H VAL 59 HN VAL 59 3.649 -3.347 2.505 440 HA VAL 59 HA VAL 59 0.957 -4.514 2.407 441 HB VAL 59 HB VAL 59 3.429 -6.096 1.710 442 1HG1 VAL 59 HG2 VAL 59 1.635 -7.337 2.878 443 2HG1 VAL 59 HG2 VAL 59 1.901 -7.899 1.228 444 3HG1 VAL 59 HG2 VAL 59 0.517 -6.870 1.596 445 1HG2 VAL 59 HG1 VAL 59 1.630 -6.125 -0.430 446 2HG2 VAL 59 HG1 VAL 59 3.203 -5.330 -0.364 447 3HG2 VAL 59 HG1 VAL 59 1.744 -4.438 0.070 448 H VAL 60 HN VAL 60 0.343 -5.434 4.257 449 HA VAL 60 HA VAL 60 2.376 -6.295 6.186 450 HB VAL 60 HB VAL 60 0.015 -5.134 7.468 451 1HG1 VAL 60 HG2 VAL 60 2.929 -5.356 7.885 452 2HG1 VAL 60 HG2 VAL 60 1.597 -5.577 9.020 453 3HG1 VAL 60 HG2 VAL 60 2.140 -3.952 8.605 454 1HG2 VAL 60 HG1 VAL 60 -0.061 -3.272 6.209 455 2HG2 VAL 60 HG1 VAL 60 1.548 -3.534 5.537 456 3HG2 VAL 60 HG1 VAL 60 1.366 -2.810 7.134 457 H SER 61 HN SER 61 1.976 -8.455 5.932 458 HA SER 61 HA SER 61 -0.695 -9.363 6.740 459 1HB SER 61 HB1 SER 61 0.479 -11.161 4.795 460 2HB SER 61 HB2 SER 61 -1.107 -10.392 4.788 461 HG SER 61 HG SER 61 1.211 -9.671 3.493 462 H ASP 62 HN ASP 62 -0.675 -11.786 7.172 463 HA ASP 62 HA ASP 62 1.843 -12.500 8.536 464 1HB ASP 62 HB1 ASP 62 -0.270 -13.972 9.687 465 2HB ASP 62 HB2 ASP 62 0.658 -12.671 10.426 466 H CYS 63 HN CYS 63 2.667 -14.519 8.235 467 HA CYS 63 HA CYS 63 1.139 -16.621 7.013 468 1HB CYS 63 HB2 CYS 63 1.969 -14.988 5.145 469 2HB CYS 63 HB1 CYS 63 3.529 -15.755 5.419 470 HG CYS 63 HG CYS 63 2.675 -17.906 4.439 471 HA PRO 64 HA PRO 64 4.040 -18.868 9.519 472 1HB PRO 64 HB1 PRO 64 3.311 -21.174 7.819 473 2HB PRO 64 HB2 PRO 64 3.167 -20.975 9.569 474 1HG PRO 64 HG2 PRO 64 1.013 -20.930 7.982 475 2HG PRO 64 HG1 PRO 64 1.133 -19.885 9.410 476 1HD PRO 64 HD2 PRO 64 1.521 -19.203 6.522 477 2HD PRO 64 HD1 PRO 64 0.727 -18.266 7.805 478 H GLN 65 HN GLN 65 4.030 -19.091 6.007 479 HA GLN 65 HA GLN 65 6.675 -20.232 5.880 480 1HB GLN 65 HB1 GLN 65 4.611 -19.377 3.902 481 2HB GLN 65 HB2 GLN 65 6.279 -19.503 3.358 482 1HG GLN 65 HG2 GLN 65 6.370 -21.808 3.869 483 2HG GLN 65 HG1 GLN 65 4.855 -21.740 4.767 484 1HE2 GLN 65 HE2 GLN 65 2.911 -21.225 3.529 485 2HE2 GLN 65 HE2 GLN 65 2.794 -21.780 1.897 486 H SER 66 HN SER 66 7.946 -18.914 3.892 487 HA SER 66 HA SER 66 8.461 -16.268 5.080 488 1HB SER 66 HB2 SER 66 10.416 -17.890 3.445 489 2HB SER 66 HB1 SER 66 10.758 -16.492 4.463 490 HG SER 66 HG SER 66 9.882 -19.045 5.343 491 H ILE 67 HN ILE 67 7.449 -17.923 2.288 492 HA ILE 67 HA ILE 67 8.292 -16.113 0.284 493 HB ILE 67 HB ILE 67 5.903 -17.958 0.281 494 1HG1 ILE 67 HG1 ILE 67 8.044 -18.865 -1.367 495 2HG1 ILE 67 HG1 ILE 67 8.708 -18.491 0.221 496 1HG2 ILE 67 HG2 ILE 67 5.388 -16.816 -1.579 497 2HG2 ILE 67 HG2 ILE 67 6.706 -17.733 -2.307 498 3HG2 ILE 67 HG2 ILE 67 6.995 -16.101 -1.706 499 1HD1 ILE 67 HD1 ILE 67 6.600 -19.875 1.017 500 2HD1 ILE 67 HD1 ILE 67 8.118 -20.649 0.561 501 3HD1 ILE 67 HD1 ILE 67 6.782 -20.586 -0.588 502 H ASN 68 HN ASN 68 7.386 -14.293 -0.529 503 HA ASN 68 HA ASN 68 5.138 -13.158 0.974 504 1HB ASN 68 HB1 ASN 68 6.409 -11.361 -0.926 505 2HB ASN 68 HB2 ASN 68 6.184 -11.178 0.812 506 1HD2 ASN 68 HD2 ASN 68 8.423 -11.416 -1.577 507 2HD2 ASN 68 HD2 ASN 68 9.786 -11.925 -0.647 508 H ASN 69 HN ASN 69 3.194 -12.961 0.078 509 HA ASN 69 HA ASN 69 2.703 -14.001 -2.512 510 1HB ASN 69 HB1 ASN 69 0.362 -13.572 -2.067 511 2HB ASN 69 HB2 ASN 69 1.124 -14.252 -0.634 512 1HD2 ASN 69 HD2 ASN 69 2.329 -12.057 0.466 513 2HD2 ASN 69 HD2 ASN 69 1.125 -10.924 0.957 514 H ILE 70 HN ILE 70 2.077 -10.697 -1.242 515 HA ILE 70 HA ILE 70 1.304 -9.598 -3.671 516 HB ILE 70 HB ILE 70 2.781 -8.003 -1.593 517 1HG1 ILE 70 HG1 ILE 70 1.134 -9.312 -0.387 518 2HG1 ILE 70 HG1 ILE 70 0.560 -7.650 -0.511 519 1HG2 ILE 70 HG2 ILE 70 1.401 -6.182 -2.352 520 2HG2 ILE 70 HG2 ILE 70 0.506 -7.258 -3.426 521 3HG2 ILE 70 HG2 ILE 70 2.207 -6.914 -3.738 522 1HD1 ILE 70 HD1 ILE 70 -0.358 -9.991 -2.162 523 2HD1 ILE 70 HD1 ILE 70 -0.885 -8.323 -2.384 524 3HD1 ILE 70 HD1 ILE 70 -1.256 -9.172 -0.885 525 HA PRO 71 HA PRO 71 5.920 -8.058 -4.299 526 1HB PRO 71 HB1 PRO 71 7.314 -10.222 -2.809 527 2HB PRO 71 HB2 PRO 71 7.724 -8.509 -2.955 528 1HG PRO 71 HG2 PRO 71 6.676 -9.436 -0.705 529 2HG PRO 71 HG1 PRO 71 6.162 -7.866 -1.353 530 1HD PRO 71 HD2 PRO 71 4.768 -10.517 -1.476 531 2HD PRO 71 HD1 PRO 71 4.093 -8.906 -1.160 532 H LEU 72 HN LEU 72 5.147 -11.489 -3.968 533 HA LEU 72 HA LEU 72 6.843 -12.470 -5.978 534 1HB LEU 72 HB1 LEU 72 5.590 -13.822 -4.266 535 2HB LEU 72 HB2 LEU 72 4.141 -13.580 -5.223 536 HG LEU 72 HG LEU 72 5.665 -14.612 -7.138 537 1HD1 LEU 72 HD2 LEU 72 7.117 -15.150 -4.654 538 2HD1 LEU 72 HD2 LEU 72 7.671 -15.190 -6.327 539 3HD1 LEU 72 HD2 LEU 72 6.816 -16.575 -5.649 540 1HD2 LEU 72 HD1 LEU 72 4.070 -15.968 -5.002 541 2HD2 LEU 72 HD1 LEU 72 4.842 -16.908 -6.279 542 3HD2 LEU 72 HD1 LEU 72 3.655 -15.669 -6.690 543 H ASP 73 HN ASP 73 3.719 -10.929 -6.113 544 HA ASP 73 HA ASP 73 3.064 -11.660 -8.775 545 1HB ASP 73 HB2 ASP 73 2.122 -9.441 -6.960 546 2HB ASP 73 HB1 ASP 73 1.501 -9.646 -8.596 547 H ALA 74 HN ALA 74 4.228 -8.555 -7.447 548 HA ALA 74 HA ALA 74 4.682 -7.352 -9.957 549 1HB ALA 74 HB1 ALA 74 5.070 -6.672 -7.190 550 2HB ALA 74 HB2 ALA 74 4.833 -5.616 -8.581 551 3HB ALA 74 HB3 ALA 74 6.455 -6.162 -8.156 552 H ARG 75 HN ARG 75 6.664 -9.400 -7.927 553 HA ARG 75 HA ARG 75 9.127 -8.926 -9.258 554 1HB ARG 75 HB1 ARG 75 9.083 -9.868 -7.017 555 2HB ARG 75 HB2 ARG 75 8.196 -11.273 -7.593 556 1HG ARG 75 HG2 ARG 75 10.207 -11.716 -9.097 557 2HG ARG 75 HG1 ARG 75 11.057 -10.528 -8.105 558 1HD ARG 75 HD1 ARG 75 10.505 -11.865 -6.100 559 2HD ARG 75 HD2 ARG 75 9.761 -13.075 -7.143 560 HE ARG 75 HE ARG 75 12.615 -12.508 -6.887 561 1HH1 ARG 75 HH1 ARG 75 10.049 -14.330 -8.386 562 2HH1 ARG 75 HH1 ARG 75 11.104 -15.564 -8.989 563 1HH2 ARG 75 HH2 ARG 75 14.009 -14.129 -7.678 564 2HH2 ARG 75 HH2 ARG 75 13.355 -15.450 -8.587 565 H ASN 76 HN ASN 76 6.422 -11.063 -9.810 566 HA ASN 76 HA ASN 76 7.613 -12.896 -11.561 567 1HB ASN 76 HB2 ASN 76 5.145 -12.655 -10.501 568 2HB ASN 76 HB1 ASN 76 4.820 -12.071 -12.131 569 1HD2 ASN 76 HD2 ASN 76 6.454 -13.609 -13.653 570 2HD2 ASN 76 HD2 ASN 76 5.990 -15.269 -13.535 571 H HIS 77 HN HIS 77 5.599 -10.074 -12.423 572 HA HIS 77 HA HIS 77 6.412 -10.125 -15.159 573 1HB HIS 77 HB2 HIS 77 4.296 -9.042 -13.930 574 2HB HIS 77 HB1 HIS 77 5.334 -7.620 -13.963 575 HD2 HIS 77 HD2 HIS 77 3.421 -9.963 -16.424 576 HE1 HIS 77 HE1 HIS 77 4.791 -6.547 -18.516 577 HE2 HIS 77 HE2 HIS 77 3.373 -8.645 -18.659 578 H GLY 78 HN GLY 78 7.646 -8.727 -12.261 579 1HA GLY 78 HA1 GLY 78 9.816 -7.914 -11.975 580 2HA GLY 78 HA2 GLY 78 9.965 -7.743 -13.716 581 H TYR 79 HN TYR 79 9.331 -6.178 -10.766 582 HA TYR 79 HA TYR 79 8.426 -3.739 -12.132 583 1HB TYR 79 HB2 TYR 79 7.539 -4.952 -9.786 584 2HB TYR 79 HB1 TYR 79 8.515 -3.600 -9.223 585 HD1 TYR 79 HD1 TYR 79 7.732 -2.023 -11.930 586 HD2 TYR 79 HD2 TYR 79 5.580 -3.850 -8.745 587 HE1 TYR 79 HE1 TYR 79 5.851 -0.493 -12.329 588 HE2 TYR 79 HE2 TYR 79 3.693 -2.324 -9.138 589 HH TYR 79 HH TYR 79 3.275 -0.133 -10.139 590 H THR 80 HN THR 80 9.245 -1.871 -10.237 591 HA THR 80 HA THR 80 11.966 -1.502 -11.013 592 HB THR 80 HB THR 80 10.583 0.092 -8.872 593 HG1 THR 80 HG1 THR 80 9.222 0.852 -10.263 594 1HG2 THR 80 HG2 THR 80 12.960 0.582 -9.503 595 2HG2 THR 80 HG2 THR 80 11.829 1.927 -9.658 596 3HG2 THR 80 HG2 THR 80 12.354 1.047 -11.094 597 H VAL 81 HN VAL 81 10.854 -1.070 -7.680 598 HA VAL 81 HA VAL 81 13.100 -2.770 -6.808 599 HB VAL 81 HB VAL 81 11.912 -0.428 -5.316 600 1HG1 VAL 81 HG2 VAL 81 14.536 -1.280 -4.484 601 2HG1 VAL 81 HG2 VAL 81 13.382 -2.609 -4.380 602 3HG1 VAL 81 HG2 VAL 81 13.062 -1.095 -3.533 603 1HG2 VAL 81 HG1 VAL 81 13.088 0.424 -7.211 604 2HG2 VAL 81 HG1 VAL 81 14.442 -0.672 -6.934 605 3HG2 VAL 81 HG1 VAL 81 14.123 0.641 -5.800 606 H LEU 82 HN LEU 82 12.571 -4.539 -5.744 607 HA LEU 82 HA LEU 82 9.986 -4.662 -4.340 608 1HB LEU 82 HB2 LEU 82 11.064 -6.329 -6.445 609 2HB LEU 82 HB1 LEU 82 10.754 -7.281 -5.008 610 HG LEU 82 HG LEU 82 8.851 -7.310 -6.553 611 1HD1 LEU 82 HD1 LEU 82 7.136 -6.863 -4.951 612 2HD1 LEU 82 HD1 LEU 82 8.184 -5.760 -4.060 613 3HD1 LEU 82 HD1 LEU 82 8.543 -7.486 -4.089 614 1HD2 LEU 82 HD2 LEU 82 7.646 -5.410 -7.183 615 2HD2 LEU 82 HD2 LEU 82 9.335 -4.937 -7.373 616 3HD2 LEU 82 HD2 LEU 82 8.423 -4.400 -5.962 617 H ASP 83 HN ASP 83 10.566 -4.459 -2.241 618 HA ASP 83 HA ASP 83 12.561 -6.363 -1.212 619 1HB ASP 83 HB1 ASP 83 12.385 -3.423 -0.842 620 2HB ASP 83 HB2 ASP 83 12.817 -4.373 0.577 621 H ILE 84 HN ILE 84 12.347 -6.736 1.167 622 HA ILE 84 HA ILE 84 9.606 -6.394 2.149 623 HB ILE 84 HB ILE 84 9.372 -8.659 2.837 624 1HG1 ILE 84 HG1 ILE 84 11.783 -9.020 3.400 625 2HG1 ILE 84 HG1 ILE 84 11.044 -10.370 2.547 626 1HG2 ILE 84 HG2 ILE 84 8.592 -8.444 0.658 627 2HG2 ILE 84 HG2 ILE 84 9.623 -9.874 0.600 628 3HG2 ILE 84 HG2 ILE 84 10.219 -8.334 -0.016 629 1HD1 ILE 84 HD1 ILE 84 13.044 -10.214 1.464 630 2HD1 ILE 84 HD1 ILE 84 13.126 -8.460 1.633 631 3HD1 ILE 84 HD1 ILE 84 12.045 -9.182 0.441 632 H GLN 85 HN GLN 85 9.566 -7.429 4.503 633 HA GLN 85 HA GLN 85 12.020 -7.053 5.978 634 1HB GLN 85 HB2 GLN 85 9.880 -5.012 5.919 635 2HB GLN 85 HB1 GLN 85 10.485 -5.436 7.515 636 1HG GLN 85 HG1 GLN 85 12.733 -5.090 5.855 637 2HG GLN 85 HG2 GLN 85 11.644 -3.740 5.541 638 1HE2 GLN 85 HE2 GLN 85 10.487 -3.458 8.038 639 2HE2 GLN 85 HE2 GLN 85 11.688 -2.920 9.158 640 H GLN 86 HN GLN 86 11.266 -7.048 8.500 641 HA GLN 86 HA GLN 86 9.048 -8.879 8.918 642 1HB GLN 86 HB1 GLN 86 11.546 -9.954 8.510 643 2HB GLN 86 HB2 GLN 86 11.476 -9.828 10.263 644 1HG GLN 86 HG2 GLN 86 9.050 -10.932 9.091 645 2HG GLN 86 HG1 GLN 86 10.492 -11.890 8.758 646 1HE2 GLN 86 HE2 GLN 86 8.031 -12.055 10.618 647 2HE2 GLN 86 HE2 GLN 86 8.718 -12.539 12.127 648 H ASP 87 HN ASP 87 8.156 -8.713 10.919 649 HA ASP 87 HA ASP 87 9.548 -6.997 12.869 650 1HB ASP 87 HB1 ASP 87 7.354 -6.187 11.547 651 2HB ASP 87 HB2 ASP 87 6.576 -7.049 12.871 652 H GLY 88 HN GLY 88 6.789 -7.645 14.361 653 1HA GLY 88 HA2 GLY 88 7.922 -9.673 16.020 654 2HA GLY 88 HA1 GLY 88 6.300 -9.011 16.149 655 HA PRO 89 HA PRO 89 5.313 -13.160 14.717 656 1HB PRO 89 HB2 PRO 89 2.557 -12.577 15.370 657 2HB PRO 89 HB1 PRO 89 3.677 -13.664 16.194 658 1HG PRO 89 HG1 PRO 89 2.740 -11.343 17.289 659 2HG PRO 89 HG2 PRO 89 4.295 -12.076 17.718 660 1HD PRO 89 HD2 PRO 89 3.723 -9.793 15.866 661 2HD PRO 89 HD1 PRO 89 5.037 -9.985 17.048 662 H THR 90 HN THR 90 5.329 -10.729 12.943 663 HA THR 90 HA THR 90 3.530 -11.802 10.917 664 HB THR 90 HB THR 90 2.907 -9.305 10.412 665 HG1 THR 90 HG1 THR 90 3.380 -7.942 11.918 666 1HG2 THR 90 HG2 THR 90 0.858 -9.686 11.231 667 2HG2 THR 90 HG2 THR 90 1.459 -10.133 12.828 668 3HG2 THR 90 HG2 THR 90 1.497 -11.306 11.510 669 H ILE 91 HN ILE 91 3.801 -10.203 8.882 670 HA ILE 91 HA ILE 91 6.614 -9.458 8.577 671 HB ILE 91 HB ILE 91 6.435 -11.805 7.849 672 1HG1 ILE 91 HG1 ILE 91 6.775 -10.120 5.382 673 2HG1 ILE 91 HG1 ILE 91 7.907 -9.993 6.724 674 1HG2 ILE 91 HG2 ILE 91 4.471 -10.739 5.826 675 2HG2 ILE 91 HG2 ILE 91 4.103 -11.815 7.174 676 3HG2 ILE 91 HG2 ILE 91 5.133 -12.374 5.854 677 1HD1 ILE 91 HD1 ILE 91 7.392 -12.733 5.860 678 2HD1 ILE 91 HD1 ILE 91 8.914 -11.912 6.209 679 3HD1 ILE 91 HD1 ILE 91 8.142 -11.708 4.636 680 H ARG 92 HN ARG 92 7.003 -7.938 6.918 681 HA ARG 92 HA ARG 92 4.656 -6.922 5.489 682 1HB ARG 92 HB1 ARG 92 4.557 -5.343 7.137 683 2HB ARG 92 HB2 ARG 92 6.257 -5.511 7.549 684 1HG ARG 92 HG2 ARG 92 6.473 -4.380 5.115 685 2HG ARG 92 HG1 ARG 92 4.938 -3.692 5.651 686 1HD ARG 92 HD1 ARG 92 6.170 -3.142 7.830 687 2HD ARG 92 HD2 ARG 92 7.647 -3.465 6.922 688 HE ARG 92 HE ARG 92 6.183 -1.679 5.407 689 1HH1 ARG 92 HH2 ARG 92 7.628 -1.747 8.578 690 2HH1 ARG 92 HH2 ARG 92 7.911 -0.039 8.626 691 1HH2 ARG 92 HH1 ARG 92 6.553 0.570 5.464 692 2HH2 ARG 92 HH1 ARG 92 7.301 1.278 6.857 693 H TYR 93 HN TYR 93 5.051 -6.259 3.454 694 HA TYR 93 HA TYR 93 7.861 -6.001 2.607 695 1HB TYR 93 HB1 TYR 93 6.054 -6.806 0.471 696 2HB TYR 93 HB2 TYR 93 7.588 -7.510 0.964 697 HD1 TYR 93 HD1 TYR 93 7.592 -9.162 2.894 698 HD2 TYR 93 HD2 TYR 93 4.027 -7.881 0.961 699 HE1 TYR 93 HE1 TYR 93 6.409 -11.125 3.786 700 HE2 TYR 93 HE2 TYR 93 2.835 -9.840 1.847 701 HH TYR 93 HH TYR 93 3.184 -11.950 2.763 702 H LEU 94 HN LEU 94 8.182 -4.638 0.686 703 HA LEU 94 HA LEU 94 6.030 -2.838 -0.043 704 1HB LEU 94 HB2 LEU 94 7.578 -0.849 0.512 705 2HB LEU 94 HB1 LEU 94 6.654 -1.589 1.806 706 HG LEU 94 HG LEU 94 9.326 -2.748 1.445 707 1HD1 LEU 94 HD1 LEU 94 10.019 -0.548 0.915 708 2HD1 LEU 94 HD1 LEU 94 10.396 -0.793 2.621 709 3HD1 LEU 94 HD1 LEU 94 8.983 0.154 2.158 710 1HD2 LEU 94 HD2 LEU 94 9.268 -2.910 3.750 711 2HD2 LEU 94 HD2 LEU 94 7.559 -3.026 3.324 712 3HD2 LEU 94 HD2 LEU 94 8.218 -1.504 3.927 713 H ILE 95 HN ILE 95 6.494 -1.522 -1.862 714 HA ILE 95 HA ILE 95 9.018 -2.090 -3.249 715 HB ILE 95 HB ILE 95 8.111 -2.892 -5.152 716 1HG1 ILE 95 HG1 ILE 95 5.494 -2.279 -5.566 717 2HG1 ILE 95 HG1 ILE 95 6.003 -0.869 -4.643 718 1HG2 ILE 95 HG2 ILE 95 5.765 -3.462 -3.345 719 2HG2 ILE 95 HG2 ILE 95 7.296 -4.338 -3.313 720 3HG2 ILE 95 HG2 ILE 95 6.278 -4.394 -4.752 721 1HD1 ILE 95 HD1 ILE 95 7.995 -0.922 -6.385 722 2HD1 ILE 95 HD1 ILE 95 6.460 -0.120 -6.725 723 3HD1 ILE 95 HD1 ILE 95 6.772 -1.737 -7.361 724 H GLN 96 HN GLN 96 9.613 -0.485 -4.839 725 HA GLN 96 HA GLN 96 8.091 1.979 -4.926 726 1HB GLN 96 HB1 GLN 96 9.991 3.351 -4.098 727 2HB GLN 96 HB2 GLN 96 9.303 2.304 -2.862 728 1HG GLN 96 HG1 GLN 96 11.145 0.939 -2.792 729 2HG GLN 96 HG2 GLN 96 11.641 1.343 -4.436 730 1HE2 GLN 96 HE2 GLN 96 13.696 1.432 -3.041 731 2HE2 GLN 96 HE2 GLN 96 14.127 2.996 -2.448 732 H LYS 97 HN LYS 97 8.931 3.520 -6.464 733 HA LYS 97 HA LYS 97 10.849 2.345 -8.368 734 1HB LYS 97 HB1 LYS 97 8.650 2.219 -9.356 735 2HB LYS 97 HB2 LYS 97 8.329 3.902 -8.966 736 1HG LYS 97 HG2 LYS 97 9.766 4.688 -10.620 737 2HG LYS 97 HG1 LYS 97 10.604 3.141 -10.758 738 1HD LYS 97 HD1 LYS 97 8.226 2.285 -11.479 739 2HD LYS 97 HD2 LYS 97 7.974 3.986 -11.877 740 1HE LYS 97 HE1 LYS 97 10.164 2.198 -12.924 741 2HE LYS 97 HE2 LYS 97 8.767 2.785 -13.826 742 1HZ LYS 97 HZ1 LYS 97 10.147 4.965 -12.689 743 2HZ LYS 97 HZ2 LYS 97 9.867 4.623 -14.322 744 3HZ LYS 97 HZ3 LYS 97 11.243 4.008 -13.553 Start of MODEL 20 1 1H MET 1 HT1 MET 1 -21.103 10.736 -39.328 2 2H MET 1 HT2 MET 1 -20.102 11.457 -40.520 3 3H MET 1 HT3 MET 1 -19.684 9.930 -39.858 4 HA MET 1 HA MET 1 -21.083 10.410 -42.126 5 1HB MET 1 HB1 MET 1 -20.343 8.128 -40.380 6 2HB MET 1 HB2 MET 1 -21.573 7.812 -41.595 7 1HG MET 1 HG2 MET 1 -20.015 8.693 -43.315 8 2HG MET 1 HG1 MET 1 -18.779 8.819 -42.064 9 1HE MET 1 HE1 MET 1 -17.212 6.331 -41.382 10 2HE MET 1 HE2 MET 1 -18.457 5.206 -40.840 11 3HE MET 1 HE3 MET 1 -18.551 6.909 -40.393 12 H GLY 2 HN GLY 2 -22.389 9.052 -39.092 13 1HA GLY 2 HA1 GLY 2 -25.097 9.587 -40.136 14 2HA GLY 2 HA2 GLY 2 -24.710 8.352 -38.947 15 H SER 3 HN SER 3 -22.835 10.523 -37.757 16 HA SER 3 HA SER 3 -24.716 11.418 -35.792 17 1HB SER 3 HB1 SER 3 -22.296 10.809 -35.346 18 2HB SER 3 HB2 SER 3 -21.853 12.336 -36.109 19 HG SER 3 HG SER 3 -23.796 12.530 -34.165 20 H SER 4 HN SER 4 -26.159 12.652 -37.123 21 HA SER 4 HA SER 4 -25.192 15.035 -38.426 22 1HB SER 4 HB1 SER 4 -27.328 13.479 -38.910 23 2HB SER 4 HB2 SER 4 -28.097 14.692 -37.887 24 HG SER 4 HG SER 4 -27.855 14.999 -40.336 25 H HIS 5 HN HIS 5 -27.161 16.890 -37.840 26 HA HIS 5 HA HIS 5 -26.495 17.568 -35.054 27 1HB HIS 5 HB2 HIS 5 -27.450 19.883 -36.297 28 2HB HIS 5 HB1 HIS 5 -25.774 19.504 -35.916 29 HD2 HIS 5 HD2 HIS 5 -28.080 19.965 -38.940 30 HE1 HIS 5 HE1 HIS 5 -24.311 18.653 -40.352 31 HE2 HIS 5 HE2 HIS 5 -26.573 19.586 -41.020 32 H HIS 6 HN HIS 6 -28.321 16.185 -34.435 33 HA HIS 6 HA HIS 6 -30.974 17.218 -35.047 34 1HB HIS 6 HB1 HIS 6 -29.960 14.783 -33.592 35 2HB HIS 6 HB2 HIS 6 -31.652 15.264 -33.503 36 HD2 HIS 6 HD2 HIS 6 -33.138 14.052 -35.351 37 HE1 HIS 6 HE1 HIS 6 -30.085 13.430 -38.217 38 HE2 HIS 6 HE2 HIS 6 -32.533 13.054 -37.670 39 H HIS 7 HN HIS 7 -31.827 18.783 -33.864 40 HA HIS 7 HA HIS 7 -30.784 19.322 -31.197 41 1HB HIS 7 HB1 HIS 7 -32.825 20.914 -32.759 42 2HB HIS 7 HB2 HIS 7 -31.906 21.447 -31.354 43 HD2 HIS 7 HD2 HIS 7 -28.987 21.448 -31.957 44 HE1 HIS 7 HE1 HIS 7 -29.828 22.513 -35.968 45 HE2 HIS 7 HE2 HIS 7 -28.031 22.384 -34.182 46 H HIS 8 HN HIS 8 -32.653 17.054 -31.940 47 HA HIS 8 HA HIS 8 -35.176 17.601 -30.757 48 1HB HIS 8 HB1 HIS 8 -33.707 15.079 -31.484 49 2HB HIS 8 HB2 HIS 8 -35.235 15.013 -30.612 50 HD2 HIS 8 HD2 HIS 8 -33.933 15.247 -34.155 51 HE1 HIS 8 HE1 HIS 8 -38.036 16.286 -34.267 52 HE2 HIS 8 HE2 HIS 8 -36.003 15.683 -35.658 53 H HIS 9 HN HIS 9 -32.552 15.495 -29.567 54 HA HIS 9 HA HIS 9 -33.571 15.755 -26.857 55 1HB HIS 9 HB2 HIS 9 -31.635 14.151 -26.363 56 2HB HIS 9 HB1 HIS 9 -32.938 13.542 -27.379 57 HD2 HIS 9 HD2 HIS 9 -31.172 11.710 -28.540 58 HE1 HIS 9 HE1 HIS 9 -28.936 14.673 -30.574 59 HE2 HIS 9 HE2 HIS 9 -29.376 12.185 -30.352 60 H HIS 10 HN HIS 10 -31.393 15.646 -25.277 61 HA HIS 10 HA HIS 10 -30.312 18.332 -25.565 62 1HB HIS 10 HB2 HIS 10 -29.428 17.919 -23.254 63 2HB HIS 10 HB1 HIS 10 -31.179 17.794 -23.390 64 HD2 HIS 10 HD2 HIS 10 -32.235 15.494 -22.470 65 HE1 HIS 10 HE1 HIS 10 -28.597 13.350 -22.159 66 HE2 HIS 10 HE2 HIS 10 -31.088 13.301 -21.685 67 H SER 11 HN SER 11 -28.004 18.719 -25.070 68 HA SER 11 HA SER 11 -26.359 16.795 -26.528 69 1HB SER 11 HB2 SER 11 -25.306 18.603 -27.340 70 2HB SER 11 HB1 SER 11 -26.471 19.607 -26.477 71 HG SER 11 HG SER 11 -24.756 20.271 -25.453 72 H SER 12 HN SER 12 -24.132 16.399 -25.741 73 HA SER 12 HA SER 12 -24.139 16.067 -22.817 74 1HB SER 12 HB2 SER 12 -22.440 14.255 -23.272 75 2HB SER 12 HB1 SER 12 -24.051 13.931 -23.912 76 HG SER 12 HG SER 12 -23.035 13.648 -25.726 77 H GLY 13 HN GLY 13 -23.403 18.360 -22.786 78 1HA GLY 13 HA1 GLY 13 -20.488 18.514 -23.253 79 2HA GLY 13 HA2 GLY 13 -21.565 19.889 -23.443 80 H LEU 14 HN LEU 14 -22.056 17.666 -20.828 81 HA LEU 14 HA LEU 14 -20.856 19.601 -18.961 82 1HB LEU 14 HB1 LEU 14 -23.605 18.673 -19.160 83 2HB LEU 14 HB2 LEU 14 -22.928 18.371 -17.572 84 HG LEU 14 HG LEU 14 -24.110 20.506 -17.636 85 1HD1 LEU 14 HD1 LEU 14 -21.219 21.242 -17.499 86 2HD1 LEU 14 HD1 LEU 14 -21.892 20.089 -16.347 87 3HD1 LEU 14 HD1 LEU 14 -22.553 21.722 -16.448 88 1HD2 LEU 14 HD2 LEU 14 -22.082 21.330 -19.709 89 2HD2 LEU 14 HD2 LEU 14 -23.331 22.352 -18.998 90 3HD2 LEU 14 HD2 LEU 14 -23.784 20.988 -20.022 91 H VAL 15 HN VAL 15 -19.499 18.769 -17.508 92 HA VAL 15 HA VAL 15 -19.638 15.896 -16.907 93 HB VAL 15 HB VAL 15 -17.002 16.155 -16.782 94 1HG1 VAL 15 HG1 VAL 15 -18.837 14.990 -18.546 95 2HG1 VAL 15 HG1 VAL 15 -17.132 14.583 -18.345 96 3HG1 VAL 15 HG1 VAL 15 -17.620 15.765 -19.561 97 1HG2 VAL 15 HG2 VAL 15 -17.707 18.597 -17.924 98 2HG2 VAL 15 HG2 VAL 15 -17.091 17.627 -19.262 99 3HG2 VAL 15 HG2 VAL 15 -16.094 17.892 -17.832 100 HA PRO 16 HA PRO 16 -19.410 17.396 -12.734 101 1HB PRO 16 HB1 PRO 16 -18.729 15.064 -11.504 102 2HB PRO 16 HB2 PRO 16 -20.364 15.419 -12.074 103 1HG PRO 16 HG2 PRO 16 -18.214 13.790 -13.374 104 2HG PRO 16 HG1 PRO 16 -19.947 13.445 -13.233 105 1HD PRO 16 HD2 PRO 16 -18.852 14.424 -15.499 106 2HD PRO 16 HD1 PRO 16 -20.496 14.848 -14.983 107 H ARG 17 HN ARG 17 -16.792 15.282 -13.889 108 HA ARG 17 HA ARG 17 -14.867 17.087 -12.612 109 1HB ARG 17 HB2 ARG 17 -15.094 14.120 -12.230 110 2HB ARG 17 HB1 ARG 17 -13.526 14.907 -12.111 111 1HG ARG 17 HG1 ARG 17 -15.331 16.412 -10.548 112 2HG ARG 17 HG2 ARG 17 -15.584 14.709 -10.157 113 1HD ARG 17 HD1 ARG 17 -13.306 14.413 -9.569 114 2HD ARG 17 HD2 ARG 17 -12.857 15.975 -10.252 115 HE ARG 17 HE ARG 17 -14.660 15.827 -7.936 116 1HH1 ARG 17 HH1 ARG 17 -11.678 16.874 -9.404 117 2HH1 ARG 17 HH1 ARG 17 -11.251 17.923 -8.092 118 1HH2 ARG 17 HH2 ARG 17 -14.109 17.204 -6.208 119 2HH2 ARG 17 HH2 ARG 17 -12.634 18.111 -6.275 120 H GLY 18 HN GLY 18 -12.769 17.083 -13.561 121 1HA GLY 18 HA1 GLY 18 -12.802 16.822 -16.385 122 2HA GLY 18 HA2 GLY 18 -11.393 17.186 -15.399 123 H SER 19 HN SER 19 -11.890 15.356 -17.751 124 HA SER 19 HA SER 19 -11.110 12.800 -16.532 125 1HB SER 19 HB1 SER 19 -11.447 12.210 -19.165 126 2HB SER 19 HB2 SER 19 -12.738 12.124 -17.966 127 HG SER 19 HG SER 19 -13.351 13.344 -19.801 128 H HIS 20 HN HIS 20 -9.145 14.647 -16.419 129 HA HIS 20 HA HIS 20 -7.405 14.368 -18.726 130 1HB HIS 20 HB1 HIS 20 -7.300 15.918 -16.162 131 2HB HIS 20 HB2 HIS 20 -5.822 15.666 -17.086 132 HD2 HIS 20 HD2 HIS 20 -8.471 18.220 -16.805 133 HE1 HIS 20 HE1 HIS 20 -7.145 18.431 -20.820 134 HE2 HIS 20 HE2 HIS 20 -8.477 19.597 -19.005 135 H MET 21 HN MET 21 -6.702 13.988 -15.258 136 HA MET 21 HA MET 21 -4.968 11.721 -15.931 137 1HB MET 21 HB2 MET 21 -4.776 13.911 -14.077 138 2HB MET 21 HB1 MET 21 -4.697 12.390 -13.199 139 1HG MET 21 HG1 MET 21 -2.903 13.326 -15.418 140 2HG MET 21 HG2 MET 21 -2.480 13.032 -13.732 141 1HE MET 21 HE1 MET 21 -0.883 12.163 -16.044 142 2HE MET 21 HE2 MET 21 -0.722 10.416 -16.217 143 3HE MET 21 HE3 MET 21 -0.302 11.194 -14.691 144 H LYS 22 HN LYS 22 -5.058 9.776 -14.729 145 HA LYS 22 HA LYS 22 -7.627 9.341 -13.353 146 1HB LYS 22 HB1 LYS 22 -6.485 8.003 -15.617 147 2HB LYS 22 HB2 LYS 22 -6.613 6.864 -14.283 148 1HG LYS 22 HG1 LYS 22 -8.926 8.588 -15.093 149 2HG LYS 22 HG2 LYS 22 -8.583 7.054 -15.896 150 1HD LYS 22 HD2 LYS 22 -9.640 5.983 -14.263 151 2HD LYS 22 HD1 LYS 22 -8.449 6.590 -13.111 152 1HE LYS 22 HE2 LYS 22 -9.885 8.061 -12.241 153 2HE LYS 22 HE1 LYS 22 -10.436 8.586 -13.833 154 1HZ LYS 22 HZ1 LYS 22 -12.211 7.259 -13.735 155 2HZ LYS 22 HZ2 LYS 22 -11.917 7.187 -12.071 156 3HZ LYS 22 HZ3 LYS 22 -11.348 5.958 -13.085 157 H ASN 23 HN ASN 23 -4.746 7.295 -13.689 158 HA ASN 23 HA ASN 23 -4.248 7.544 -10.815 159 1HB ASN 23 HB2 ASN 23 -5.710 5.462 -11.629 160 2HB ASN 23 HB1 ASN 23 -4.113 4.800 -11.964 161 1HD2 ASN 23 HD2 ASN 23 -3.703 3.407 -10.401 162 2HD2 ASN 23 HD2 ASN 23 -3.850 3.718 -8.708 163 H ILE 24 HN ILE 24 -2.195 8.096 -10.582 164 HA ILE 24 HA ILE 24 -0.225 7.137 -12.549 165 HB ILE 24 HB ILE 24 0.459 9.298 -10.618 166 1HG1 ILE 24 HG1 ILE 24 -0.849 10.107 -13.174 167 2HG1 ILE 24 HG1 ILE 24 -1.890 9.621 -11.840 168 1HG2 ILE 24 HG2 ILE 24 2.243 8.716 -11.982 169 2HG2 ILE 24 HG2 ILE 24 1.567 10.127 -12.797 170 3HG2 ILE 24 HG2 ILE 24 1.218 8.507 -13.402 171 1HD1 ILE 24 HD1 ILE 24 -1.359 11.436 -10.582 172 2HD1 ILE 24 HD1 ILE 24 -1.167 12.123 -12.194 173 3HD1 ILE 24 HD1 ILE 24 0.250 11.596 -11.285 174 H VAL 25 HN VAL 25 0.113 8.278 -9.204 175 HA VAL 25 HA VAL 25 1.940 6.089 -8.629 176 HB VAL 25 HB VAL 25 2.467 7.211 -6.599 177 1HG1 VAL 25 HG2 VAL 25 3.239 8.238 -8.775 178 2HG1 VAL 25 HG2 VAL 25 3.272 9.298 -7.367 179 3HG1 VAL 25 HG2 VAL 25 1.973 9.445 -8.551 180 1HG2 VAL 25 HG1 VAL 25 -0.228 8.246 -6.830 181 2HG2 VAL 25 HG1 VAL 25 0.933 9.516 -6.444 182 3HG2 VAL 25 HG1 VAL 25 0.805 8.095 -5.408 183 HA PRO 26 HA PRO 26 -1.310 3.769 -6.695 184 1HB PRO 26 HB1 PRO 26 0.131 1.624 -5.966 185 2HB PRO 26 HB2 PRO 26 -0.238 1.976 -7.657 186 1HG PRO 26 HG1 PRO 26 2.301 2.309 -6.165 187 2HG PRO 26 HG2 PRO 26 2.041 1.959 -7.880 188 1HD PRO 26 HD1 PRO 26 2.650 4.468 -6.732 189 2HD PRO 26 HD2 PRO 26 2.157 4.154 -8.407 190 H ASP 27 HN ASP 27 1.656 3.173 -4.785 191 HA ASP 27 HA ASP 27 1.995 3.127 -2.542 192 1HB ASP 27 HB2 ASP 27 1.715 5.648 -3.115 193 2HB ASP 27 HB1 ASP 27 0.148 5.493 -2.320 194 H TYR 28 HN TYR 28 0.560 1.141 -2.867 195 HA TYR 28 HA TYR 28 -2.053 1.557 -1.536 196 1HB TYR 28 HB1 TYR 28 -1.607 0.328 -3.894 197 2HB TYR 28 HB2 TYR 28 -1.503 -1.054 -2.809 198 HD1 TYR 28 HD1 TYR 28 -3.446 -2.050 -1.936 199 HD2 TYR 28 HD2 TYR 28 -3.708 1.750 -3.831 200 HE1 TYR 28 HE1 TYR 28 -5.900 -2.194 -1.874 201 HE2 TYR 28 HE2 TYR 28 -6.163 1.616 -3.774 202 HH TYR 28 HH TYR 28 -7.824 -1.294 -2.865 203 H ARG 29 HN ARG 29 -2.612 0.546 0.295 204 HA ARG 29 HA ARG 29 -0.487 -0.957 1.637 205 1HB ARG 29 HB1 ARG 29 -1.949 -0.454 3.698 206 2HB ARG 29 HB2 ARG 29 -1.068 0.880 2.967 207 1HG ARG 29 HG2 ARG 29 -2.955 1.904 2.221 208 2HG ARG 29 HG1 ARG 29 -3.836 0.387 2.030 209 1HD ARG 29 HD2 ARG 29 -3.900 0.227 4.535 210 2HD ARG 29 HD1 ARG 29 -3.253 1.865 4.587 211 HE ARG 29 HE ARG 29 -5.751 1.342 3.141 212 1HH1 ARG 29 HH2 ARG 29 -4.041 2.851 5.776 213 2HH1 ARG 29 HH2 ARG 29 -5.356 3.893 6.203 214 1HH2 ARG 29 HH1 ARG 29 -7.489 2.710 3.697 215 2HH2 ARG 29 HH1 ARG 29 -7.317 3.813 5.021 216 H LEU 30 HN LEU 30 -0.710 -3.011 2.214 217 HA LEU 30 HA LEU 30 -3.369 -4.260 2.012 218 1HB LEU 30 HB1 LEU 30 -1.492 -4.775 0.215 219 2HB LEU 30 HB2 LEU 30 -0.884 -5.833 1.471 220 HG LEU 30 HG LEU 30 -2.388 -6.885 -0.303 221 1HD1 LEU 30 HD2 LEU 30 -2.090 -8.333 1.415 222 2HD1 LEU 30 HD2 LEU 30 -3.802 -7.995 1.669 223 3HD1 LEU 30 HD2 LEU 30 -2.587 -7.165 2.640 224 1HD2 LEU 30 HD1 LEU 30 -4.065 -4.796 0.324 225 2HD2 LEU 30 HD1 LEU 30 -4.791 -6.156 1.181 226 3HD2 LEU 30 HD1 LEU 30 -4.515 -6.255 -0.558 227 H ASP 31 HN ASP 31 -3.643 -3.980 4.271 228 HA ASP 31 HA ASP 31 -1.742 -5.387 5.995 229 1HB ASP 31 HB1 ASP 31 -2.478 -2.993 6.454 230 2HB ASP 31 HB2 ASP 31 -4.051 -3.659 6.882 231 H MET 32 HN MET 32 -2.756 -7.385 4.934 232 HA MET 32 HA MET 32 -4.843 -8.347 6.740 233 1HB MET 32 HB1 MET 32 -4.917 -8.596 3.731 234 2HB MET 32 HB2 MET 32 -5.920 -9.556 4.810 235 1HG MET 32 HG1 MET 32 -6.791 -7.375 5.735 236 2HG MET 32 HG2 MET 32 -5.979 -6.586 4.382 237 1HE MET 32 HE1 MET 32 -10.035 -8.489 4.401 238 2HE MET 32 HE2 MET 32 -9.197 -7.512 5.608 239 3HE MET 32 HE3 MET 32 -8.770 -9.210 5.396 240 H VAL 33 HN VAL 33 -4.237 -10.388 4.120 241 HA VAL 33 HA VAL 33 -2.130 -11.852 5.553 242 HB VAL 33 HB VAL 33 -4.308 -12.871 6.072 243 1HG1 VAL 33 HG2 VAL 33 -4.681 -13.803 3.284 244 2HG1 VAL 33 HG2 VAL 33 -5.141 -12.141 3.659 245 3HG1 VAL 33 HG2 VAL 33 -5.873 -13.481 4.542 246 1HG2 VAL 33 HG1 VAL 33 -3.767 -15.183 4.993 247 2HG2 VAL 33 HG1 VAL 33 -2.647 -14.470 6.154 248 3HG2 VAL 33 HG1 VAL 33 -2.313 -14.363 4.425 249 H GLY 34 HN GLY 34 -0.679 -12.964 4.275 250 1HA GLY 34 HA2 GLY 34 -0.422 -12.049 1.573 251 2HA GLY 34 HA1 GLY 34 0.637 -13.189 2.389 252 H GLU 35 HN GLU 35 -2.126 -12.793 0.340 253 HA GLU 35 HA GLU 35 -2.199 -15.705 -0.088 254 1HB GLU 35 HB1 GLU 35 -4.281 -15.183 0.870 255 2HB GLU 35 HB2 GLU 35 -4.402 -13.660 0.001 256 1HG GLU 35 HG2 GLU 35 -5.011 -14.704 -1.984 257 2HG GLU 35 HG1 GLU 35 -4.457 -16.285 -1.433 258 HA PRO 36 HA PRO 36 -0.820 -15.619 -4.264 259 1HB PRO 36 HB1 PRO 36 -3.675 -16.357 -4.830 260 2HB PRO 36 HB2 PRO 36 -2.194 -17.005 -5.540 261 1HG PRO 36 HG2 PRO 36 -3.527 -18.213 -3.488 262 2HG PRO 36 HG1 PRO 36 -1.784 -18.376 -3.751 263 1HD PRO 36 HD2 PRO 36 -3.157 -17.074 -1.569 264 2HD PRO 36 HD1 PRO 36 -1.413 -17.314 -1.788 265 H CYS 37 HN CYS 37 -3.799 -15.063 -5.743 266 HA CYS 37 HA CYS 37 -3.447 -12.162 -5.768 267 1HB CYS 37 HB1 CYS 37 -3.940 -12.868 -8.455 268 2HB CYS 37 HB2 CYS 37 -2.489 -12.135 -7.783 269 HG CYS 37 HG CYS 37 -1.358 -14.177 -8.495 270 HA PRO 38 HA PRO 38 -7.916 -13.398 -6.150 271 1HB PRO 38 HB1 PRO 38 -8.786 -13.233 -3.634 272 2HB PRO 38 HB2 PRO 38 -7.935 -14.671 -4.208 273 1HG PRO 38 HG1 PRO 38 -6.955 -12.441 -2.492 274 2HG PRO 38 HG2 PRO 38 -6.549 -14.164 -2.437 275 1HD PRO 38 HD2 PRO 38 -5.025 -12.126 -3.640 276 2HD PRO 38 HD1 PRO 38 -4.798 -13.873 -3.850 277 H TYR 39 HN TYR 39 -6.839 -11.053 -3.686 278 HA TYR 39 HA TYR 39 -8.273 -8.938 -5.094 279 1HB TYR 39 HB2 TYR 39 -9.312 -10.141 -2.789 280 2HB TYR 39 HB1 TYR 39 -8.627 -8.615 -2.240 281 HD1 TYR 39 HD1 TYR 39 -10.946 -10.064 -4.761 282 HD2 TYR 39 HD2 TYR 39 -9.798 -6.614 -2.551 283 HE1 TYR 39 HE1 TYR 39 -12.942 -8.884 -5.578 284 HE2 TYR 39 HE2 TYR 39 -11.791 -5.424 -3.362 285 HH TYR 39 HH TYR 39 -14.129 -6.125 -4.228 286 HA PRO 40 HA PRO 40 -5.113 -7.092 -1.707 287 1HB PRO 40 HB1 PRO 40 -3.015 -8.963 -1.491 288 2HB PRO 40 HB2 PRO 40 -4.180 -8.530 -0.239 289 1HG PRO 40 HG2 PRO 40 -4.184 -10.840 -2.115 290 2HG PRO 40 HG1 PRO 40 -4.750 -10.748 -0.437 291 1HD PRO 40 HD1 PRO 40 -6.479 -10.794 -2.464 292 2HD PRO 40 HD2 PRO 40 -6.770 -9.766 -1.045 293 H ALA 41 HN ALA 41 -2.640 -9.118 -2.996 294 HA ALA 41 HA ALA 41 -1.314 -7.083 -4.317 295 1HB ALA 41 HB1 ALA 41 -1.110 -10.062 -4.518 296 2HB ALA 41 HB2 ALA 41 -0.003 -8.916 -3.760 297 3HB ALA 41 HB3 ALA 41 -0.108 -9.007 -5.517 298 H VAL 42 HN VAL 42 -4.207 -8.293 -5.325 299 HA VAL 42 HA VAL 42 -3.977 -8.769 -8.044 300 HB VAL 42 HB VAL 42 -6.176 -7.631 -6.368 301 1HG1 VAL 42 HG1 VAL 42 -6.093 -7.662 -9.369 302 2HG1 VAL 42 HG1 VAL 42 -6.566 -6.349 -8.292 303 3HG1 VAL 42 HG1 VAL 42 -7.613 -7.756 -8.478 304 1HG2 VAL 42 HG2 VAL 42 -7.200 -9.720 -7.724 305 2HG2 VAL 42 HG2 VAL 42 -6.357 -9.871 -6.182 306 3HG2 VAL 42 HG2 VAL 42 -5.496 -10.173 -7.692 307 H ALA 43 HN ALA 43 -3.987 -5.717 -6.302 308 HA ALA 43 HA ALA 43 -4.159 -4.050 -8.612 309 1HB ALA 43 HB1 ALA 43 -4.463 -2.477 -7.077 310 2HB ALA 43 HB2 ALA 43 -2.833 -2.728 -6.453 311 3HB ALA 43 HB3 ALA 43 -4.174 -3.682 -5.821 312 H THR 44 HN THR 44 -1.545 -5.436 -6.725 313 HA THR 44 HA THR 44 0.628 -4.017 -7.724 314 HB THR 44 HB THR 44 0.952 -6.935 -7.265 315 HG1 THR 44 HG1 THR 44 -0.268 -5.181 -5.484 316 1HG2 THR 44 HG2 THR 44 2.432 -4.456 -6.656 317 2HG2 THR 44 HG2 THR 44 3.012 -6.029 -7.204 318 3HG2 THR 44 HG2 THR 44 2.574 -5.792 -5.512 319 H LEU 45 HN LEU 45 -0.979 -6.900 -9.008 320 HA LEU 45 HA LEU 45 0.838 -7.329 -11.129 321 1HB LEU 45 HB1 LEU 45 -1.441 -8.601 -10.080 322 2HB LEU 45 HB2 LEU 45 -1.813 -8.263 -11.759 323 HG LEU 45 HG LEU 45 0.245 -9.452 -12.438 324 1HD1 LEU 45 HD2 LEU 45 1.421 -9.004 -10.242 325 2HD1 LEU 45 HD2 LEU 45 1.603 -10.627 -10.909 326 3HD1 LEU 45 HD2 LEU 45 0.483 -10.342 -9.576 327 1HD2 LEU 45 HD1 LEU 45 -2.149 -10.519 -11.670 328 2HD2 LEU 45 HD1 LEU 45 -0.996 -11.496 -10.759 329 3HD2 LEU 45 HD1 LEU 45 -0.868 -11.388 -12.515 330 H GLU 46 HN GLU 46 -2.455 -5.938 -11.158 331 HA GLU 46 HA GLU 46 -2.396 -5.164 -13.867 332 1HB GLU 46 HB1 GLU 46 -4.381 -3.901 -13.397 333 2HB GLU 46 HB2 GLU 46 -4.452 -5.383 -12.455 334 1HG GLU 46 HG2 GLU 46 -4.800 -4.177 -10.640 335 2HG GLU 46 HG1 GLU 46 -3.196 -3.470 -10.828 336 H ALA 47 HN ALA 47 -0.779 -3.933 -11.191 337 HA ALA 47 HA ALA 47 -0.632 -1.174 -11.999 338 1HB ALA 47 HB1 ALA 47 1.101 -2.672 -10.040 339 2HB ALA 47 HB2 ALA 47 -0.414 -1.861 -9.640 340 3HB ALA 47 HB3 ALA 47 0.966 -0.922 -10.209 341 H MET 48 HN MET 48 1.252 -4.098 -12.416 342 HA MET 48 HA MET 48 3.657 -3.091 -13.283 343 1HB MET 48 HB2 MET 48 4.091 -5.262 -13.458 344 2HB MET 48 HB1 MET 48 2.382 -5.610 -13.253 345 1HG MET 48 HG1 MET 48 2.980 -6.719 -15.202 346 2HG MET 48 HG2 MET 48 2.169 -5.255 -15.754 347 1HE MET 48 HE1 MET 48 5.305 -6.435 -18.124 348 2HE MET 48 HE2 MET 48 3.571 -6.131 -18.237 349 3HE MET 48 HE3 MET 48 4.177 -7.388 -17.160 350 HA PRO 49 HA PRO 49 1.951 -2.754 -17.804 351 1HB PRO 49 HB2 PRO 49 -0.945 -2.439 -17.463 352 2HB PRO 49 HB1 PRO 49 -0.057 -3.498 -18.563 353 1HG PRO 49 HG2 PRO 49 -1.427 -4.457 -16.452 354 2HG PRO 49 HG1 PRO 49 0.074 -5.208 -17.023 355 1HD PRO 49 HD1 PRO 49 -0.353 -3.359 -14.705 356 2HD PRO 49 HD2 PRO 49 0.646 -4.823 -14.805 357 H GLN 50 HN GLN 50 -0.325 -1.235 -15.513 358 HA GLN 50 HA GLN 50 -0.205 1.314 -16.801 359 1HB GLN 50 HB1 GLN 50 -1.310 0.408 -14.142 360 2HB GLN 50 HB2 GLN 50 -1.414 2.072 -14.703 361 1HG GLN 50 HG2 GLN 50 -2.399 -0.041 -16.526 362 2HG GLN 50 HG1 GLN 50 -3.354 0.305 -15.084 363 1HE2 GLN 50 HE2 GLN 50 -3.130 2.959 -14.781 364 2HE2 GLN 50 HE2 GLN 50 -3.791 3.793 -16.143 365 H LEU 51 HN LEU 51 2.285 -0.054 -15.510 366 HA LEU 51 HA LEU 51 3.206 1.390 -13.356 367 1HB LEU 51 HB2 LEU 51 5.182 0.362 -13.713 368 2HB LEU 51 HB1 LEU 51 4.230 -0.581 -14.836 369 HG LEU 51 HG LEU 51 5.099 1.546 -16.379 370 1HD1 LEU 51 HD2 LEU 51 6.630 2.286 -14.658 371 2HD1 LEU 51 HD2 LEU 51 7.533 1.607 -16.013 372 3HD1 LEU 51 HD2 LEU 51 7.316 0.667 -14.535 373 1HD2 LEU 51 HD1 LEU 51 5.433 -0.261 -17.620 374 2HD2 LEU 51 HD1 LEU 51 5.455 -1.299 -16.194 375 3HD2 LEU 51 HD1 LEU 51 6.940 -0.523 -16.744 376 H LYS 52 HN LYS 52 4.888 3.045 -13.256 377 HA LYS 52 HA LYS 52 5.125 4.867 -15.493 378 1HB LYS 52 HB2 LYS 52 3.465 5.444 -13.086 379 2HB LYS 52 HB1 LYS 52 4.458 6.750 -13.720 380 1HG LYS 52 HG2 LYS 52 3.017 7.138 -15.355 381 2HG LYS 52 HG1 LYS 52 3.045 5.446 -15.855 382 1HD LYS 52 HD1 LYS 52 1.447 4.984 -13.955 383 2HD LYS 52 HD2 LYS 52 1.285 6.733 -13.779 384 1HE LYS 52 HE2 LYS 52 0.967 5.951 -16.532 385 2HE LYS 52 HE1 LYS 52 -0.148 5.057 -15.499 386 1HZ LYS 52 HZ1 LYS 52 -1.387 6.858 -15.225 387 2HZ LYS 52 HZ2 LYS 52 -0.463 7.624 -16.417 388 3HZ LYS 52 HZ3 LYS 52 -0.059 7.808 -14.785 389 H LYS 53 HN LYS 53 6.084 7.076 -14.042 390 HA LYS 53 HA LYS 53 8.588 5.953 -13.006 391 1HB LYS 53 HB2 LYS 53 7.917 8.256 -14.646 392 2HB LYS 53 HB1 LYS 53 8.920 8.707 -13.274 393 1HG LYS 53 HG1 LYS 53 9.754 6.329 -14.824 394 2HG LYS 53 HG2 LYS 53 9.930 7.906 -15.599 395 1HD LYS 53 HD2 LYS 53 11.770 8.297 -14.420 396 2HD LYS 53 HD1 LYS 53 10.861 8.114 -12.919 397 1HE LYS 53 HE1 LYS 53 11.271 5.520 -13.918 398 2HE LYS 53 HE2 LYS 53 12.809 6.364 -14.088 399 1HZ LYS 53 HZ1 LYS 53 12.115 5.160 -11.863 400 2HZ LYS 53 HZ2 LYS 53 11.390 6.657 -11.553 401 3HZ LYS 53 HZ3 LYS 53 13.051 6.568 -11.858 402 H GLY 54 HN GLY 54 6.355 5.898 -11.317 403 1HA GLY 54 HA2 GLY 54 7.416 7.134 -9.000 404 2HA GLY 54 HA1 GLY 54 6.046 8.064 -9.591 405 H GLU 55 HN GLU 55 6.943 4.691 -8.872 406 HA GLU 55 HA GLU 55 4.193 4.263 -7.917 407 1HB GLU 55 HB1 GLU 55 6.030 2.665 -9.503 408 2HB GLU 55 HB2 GLU 55 5.457 1.784 -8.096 409 1HG GLU 55 HG2 GLU 55 3.617 1.296 -9.189 410 2HG GLU 55 HG1 GLU 55 3.200 3.012 -9.193 411 H ILE 56 HN ILE 56 3.844 3.034 -6.024 412 HA ILE 56 HA ILE 56 6.003 2.342 -4.277 413 HB ILE 56 HB ILE 56 4.513 4.883 -3.848 414 1HG1 ILE 56 HG1 ILE 56 7.175 4.092 -2.699 415 2HG1 ILE 56 HG1 ILE 56 7.027 4.518 -4.401 416 1HG2 ILE 56 HG2 ILE 56 5.101 2.916 -1.660 417 2HG2 ILE 56 HG2 ILE 56 3.619 3.823 -1.968 418 3HG2 ILE 56 HG2 ILE 56 5.048 4.652 -1.351 419 1HD1 ILE 56 HD1 ILE 56 5.990 6.684 -3.639 420 2HD1 ILE 56 HD1 ILE 56 7.704 6.469 -3.284 421 3HD1 ILE 56 HD1 ILE 56 6.505 6.248 -2.009 422 H LEU 57 HN LEU 57 5.201 1.153 -2.406 423 HA LEU 57 HA LEU 57 2.396 0.777 -2.097 424 1HB LEU 57 HB1 LEU 57 2.638 -0.548 -4.066 425 2HB LEU 57 HB2 LEU 57 3.989 -1.406 -3.388 426 HG LEU 57 HG LEU 57 1.988 -1.884 -1.572 427 1HD1 LEU 57 HD2 LEU 57 0.744 -0.895 -3.841 428 2HD1 LEU 57 HD2 LEU 57 -0.014 -1.777 -2.509 429 3HD1 LEU 57 HD2 LEU 57 0.543 -2.648 -3.941 430 1HD2 LEU 57 HD1 LEU 57 2.099 -4.118 -2.303 431 2HD2 LEU 57 HD1 LEU 57 3.690 -3.437 -2.641 432 3HD2 LEU 57 HD1 LEU 57 2.523 -3.640 -3.947 433 H GLU 58 HN GLU 58 1.898 -0.009 -0.169 434 HA GLU 58 HA GLU 58 4.105 -0.962 1.529 435 1HB GLU 58 HB2 GLU 58 1.772 0.231 2.864 436 2HB GLU 58 HB1 GLU 58 3.486 0.498 3.147 437 1HG GLU 58 HG1 GLU 58 3.579 2.289 1.769 438 2HG GLU 58 HG2 GLU 58 2.386 1.634 0.639 439 H VAL 59 HN VAL 59 3.758 -2.797 2.751 440 HA VAL 59 HA VAL 59 1.060 -3.942 2.728 441 HB VAL 59 HB VAL 59 3.459 -5.609 2.012 442 1HG1 VAL 59 HG2 VAL 59 0.726 -6.427 1.293 443 2HG1 VAL 59 HG2 VAL 59 1.070 -6.380 3.022 444 3HG1 VAL 59 HG2 VAL 59 2.059 -7.374 1.954 445 1HG2 VAL 59 HG1 VAL 59 1.618 -4.024 0.297 446 2HG2 VAL 59 HG1 VAL 59 2.133 -5.613 -0.269 447 3HG2 VAL 59 HG1 VAL 59 3.334 -4.374 0.093 448 H VAL 60 HN VAL 60 0.612 -5.431 4.314 449 HA VAL 60 HA VAL 60 2.584 -6.225 6.256 450 HB VAL 60 HB VAL 60 0.705 -5.310 8.016 451 1HG1 VAL 60 HG2 VAL 60 3.288 -5.160 7.921 452 2HG1 VAL 60 HG2 VAL 60 2.391 -3.960 8.853 453 3HG1 VAL 60 HG2 VAL 60 3.003 -3.554 7.249 454 1HG2 VAL 60 HG1 VAL 60 1.073 -3.120 5.976 455 2HG2 VAL 60 HG1 VAL 60 0.196 -3.009 7.503 456 3HG2 VAL 60 HG1 VAL 60 -0.412 -4.042 6.208 457 H SER 61 HN SER 61 2.089 -8.351 5.985 458 HA SER 61 HA SER 61 -0.579 -9.199 6.816 459 1HB SER 61 HB1 SER 61 0.721 -9.945 4.190 460 2HB SER 61 HB2 SER 61 -0.638 -10.829 4.883 461 HG SER 61 HG SER 61 -0.550 -8.270 3.773 462 H ASP 62 HN ASP 62 -0.684 -11.618 7.061 463 HA ASP 62 HA ASP 62 1.922 -12.662 7.966 464 1HB ASP 62 HB2 ASP 62 0.426 -14.003 9.626 465 2HB ASP 62 HB1 ASP 62 0.808 -12.321 9.983 466 H CYS 63 HN CYS 63 2.456 -14.707 7.378 467 HA CYS 63 HA CYS 63 0.500 -16.571 6.404 468 1HB CYS 63 HB1 CYS 63 1.130 -14.907 4.472 469 2HB CYS 63 HB2 CYS 63 2.605 -15.864 4.391 470 HG CYS 63 HG CYS 63 0.869 -17.961 4.036 471 HA PRO 64 HA PRO 64 3.740 -19.096 8.154 472 1HB PRO 64 HB1 PRO 64 2.615 -21.512 7.627 473 2HB PRO 64 HB2 PRO 64 2.084 -20.470 8.952 474 1HG PRO 64 HG2 PRO 64 0.889 -20.835 6.230 475 2HG PRO 64 HG1 PRO 64 0.077 -20.719 7.803 476 1HD PRO 64 HD2 PRO 64 0.230 -18.631 6.089 477 2HD PRO 64 HD1 PRO 64 0.224 -18.420 7.852 478 H GLN 65 HN GLN 65 2.715 -18.996 4.900 479 HA GLN 65 HA GLN 65 4.660 -20.921 3.943 480 1HB GLN 65 HB1 GLN 65 2.611 -19.162 2.618 481 2HB GLN 65 HB2 GLN 65 3.839 -19.993 1.672 482 1HG GLN 65 HG1 GLN 65 3.063 -22.138 2.581 483 2HG GLN 65 HG2 GLN 65 1.799 -21.285 3.469 484 1HE2 GLN 65 HE2 GLN 65 0.288 -19.997 2.155 485 2HE2 GLN 65 HE2 GLN 65 -0.170 -20.605 0.604 486 H SER 66 HN SER 66 5.324 -19.451 1.531 487 HA SER 66 HA SER 66 7.087 -17.369 2.642 488 1HB SER 66 HB2 SER 66 7.930 -19.149 0.363 489 2HB SER 66 HB1 SER 66 8.937 -18.169 1.429 490 HG SER 66 HG SER 66 9.178 -20.143 2.256 491 H ILE 67 HN ILE 67 5.903 -18.667 -0.476 492 HA ILE 67 HA ILE 67 6.177 -16.107 -1.753 493 HB ILE 67 HB ILE 67 4.614 -18.421 -2.867 494 1HG1 ILE 67 HG1 ILE 67 7.223 -18.473 -3.924 495 2HG1 ILE 67 HG1 ILE 67 7.421 -18.337 -2.180 496 1HG2 ILE 67 HG2 ILE 67 6.265 -16.964 -4.711 497 2HG2 ILE 67 HG2 ILE 67 5.242 -15.852 -3.801 498 3HG2 ILE 67 HG2 ILE 67 4.514 -17.179 -4.706 499 1HD1 ILE 67 HD1 ILE 67 5.474 -20.267 -2.466 500 2HD1 ILE 67 HD1 ILE 67 7.182 -20.538 -2.119 501 3HD1 ILE 67 HD1 ILE 67 6.601 -20.597 -3.783 502 H ASN 68 HN ASN 68 4.851 -14.973 -0.153 503 HA ASN 68 HA ASN 68 2.037 -14.936 -0.984 504 1HB ASN 68 HB2 ASN 68 1.678 -14.297 1.573 505 2HB ASN 68 HB1 ASN 68 1.669 -15.976 1.038 506 1HD2 ASN 68 HD2 ASN 68 3.575 -13.470 2.562 507 2HD2 ASN 68 HD2 ASN 68 4.690 -14.530 3.349 508 H ASN 69 HN ASN 69 4.819 -13.378 -0.914 509 HA ASN 69 HA ASN 69 4.170 -10.850 0.200 510 1HB ASN 69 HB1 ASN 69 6.300 -11.479 -1.841 511 2HB ASN 69 HB2 ASN 69 6.249 -10.093 -0.758 512 1HD2 ASN 69 HD2 ASN 69 8.484 -11.169 -0.489 513 2HD2 ASN 69 HD2 ASN 69 8.615 -12.267 0.839 514 H ILE 70 HN ILE 70 3.061 -9.224 -0.593 515 HA ILE 70 HA ILE 70 1.667 -9.260 -3.013 516 HB ILE 70 HB ILE 70 2.564 -6.813 -1.486 517 1HG1 ILE 70 HG1 ILE 70 1.373 -8.321 0.002 518 2HG1 ILE 70 HG1 ILE 70 0.343 -6.946 -0.384 519 1HG2 ILE 70 HG2 ILE 70 1.383 -6.913 -3.941 520 2HG2 ILE 70 HG2 ILE 70 1.281 -5.559 -2.815 521 3HG2 ILE 70 HG2 ILE 70 -0.008 -6.763 -2.868 522 1HD1 ILE 70 HD1 ILE 70 -0.982 -8.252 -1.857 523 2HD1 ILE 70 HD1 ILE 70 -0.802 -9.158 -0.355 524 3HD1 ILE 70 HD1 ILE 70 0.148 -9.604 -1.772 525 HA PRO 71 HA PRO 71 5.393 -6.585 -4.752 526 1HB PRO 71 HB1 PRO 71 7.800 -7.174 -3.603 527 2HB PRO 71 HB2 PRO 71 6.798 -5.801 -3.124 528 1HG PRO 71 HG2 PRO 71 7.031 -8.506 -1.863 529 2HG PRO 71 HG1 PRO 71 6.990 -6.911 -1.087 530 1HD PRO 71 HD1 PRO 71 4.817 -8.476 -1.174 531 2HD PRO 71 HD2 PRO 71 4.689 -6.713 -1.338 532 H LEU 72 HN LEU 72 5.556 -9.882 -3.568 533 HA LEU 72 HA LEU 72 7.446 -10.863 -5.452 534 1HB LEU 72 HB2 LEU 72 5.587 -11.996 -3.522 535 2HB LEU 72 HB1 LEU 72 5.732 -12.963 -4.971 536 HG LEU 72 HG LEU 72 8.096 -13.229 -4.662 537 1HD1 LEU 72 HD1 LEU 72 8.465 -12.073 -2.069 538 2HD1 LEU 72 HD1 LEU 72 7.910 -10.840 -3.201 539 3HD1 LEU 72 HD1 LEU 72 9.358 -11.779 -3.562 540 1HD2 LEU 72 HD2 LEU 72 7.770 -14.886 -3.221 541 2HD2 LEU 72 HD2 LEU 72 6.159 -14.230 -2.932 542 3HD2 LEU 72 HD2 LEU 72 7.503 -13.758 -1.892 543 H ASP 73 HN ASP 73 4.045 -10.184 -5.550 544 HA ASP 73 HA ASP 73 3.431 -11.591 -7.940 545 1HB ASP 73 HB2 ASP 73 2.112 -9.629 -6.201 546 2HB ASP 73 HB1 ASP 73 1.696 -9.446 -7.903 547 H ALA 74 HN ALA 74 4.363 -8.249 -7.234 548 HA ALA 74 HA ALA 74 4.433 -7.432 -9.978 549 1HB ALA 74 HB1 ALA 74 4.182 -5.573 -8.724 550 2HB ALA 74 HB2 ALA 74 5.944 -5.576 -8.768 551 3HB ALA 74 HB3 ALA 74 5.097 -6.230 -7.366 552 H ARG 75 HN ARG 75 6.714 -8.876 -7.780 553 HA ARG 75 HA ARG 75 9.065 -8.237 -9.287 554 1HB ARG 75 HB1 ARG 75 9.290 -8.684 -6.931 555 2HB ARG 75 HB2 ARG 75 8.522 -10.257 -7.104 556 1HG ARG 75 HG2 ARG 75 10.719 -10.272 -8.848 557 2HG ARG 75 HG1 ARG 75 11.287 -9.543 -7.345 558 1HD ARG 75 HD1 ARG 75 11.324 -11.523 -6.343 559 2HD ARG 75 HD2 ARG 75 9.631 -11.803 -6.753 560 HE ARG 75 HE ARG 75 11.671 -12.336 -8.782 561 1HH1 ARG 75 HH2 ARG 75 9.308 -13.524 -6.513 562 2HH1 ARG 75 HH2 ARG 75 9.264 -15.115 -7.195 563 1HH2 ARG 75 HH1 ARG 75 11.618 -14.428 -9.687 564 2HH2 ARG 75 HH1 ARG 75 10.576 -15.629 -8.999 565 H ASN 76 HN ASN 76 7.171 -11.193 -8.806 566 HA ASN 76 HA ASN 76 8.522 -12.919 -10.462 567 1HB ASN 76 HB2 ASN 76 6.327 -13.149 -8.942 568 2HB ASN 76 HB1 ASN 76 5.547 -13.036 -10.521 569 1HD2 ASN 76 HD2 ASN 76 4.814 -15.144 -10.442 570 2HD2 ASN 76 HD2 ASN 76 5.868 -16.500 -10.631 571 H HIS 77 HN HIS 77 5.807 -10.784 -11.350 572 HA HIS 77 HA HIS 77 5.986 -11.414 -14.134 573 1HB HIS 77 HB2 HIS 77 4.195 -9.988 -12.451 574 2HB HIS 77 HB1 HIS 77 4.720 -8.879 -13.716 575 HD2 HIS 77 HD2 HIS 77 3.096 -8.998 -15.823 576 HE1 HIS 77 HE1 HIS 77 1.966 -13.060 -15.445 577 HE2 HIS 77 HE2 HIS 77 1.666 -10.933 -16.796 578 H GLY 78 HN GLY 78 6.745 -8.459 -12.279 579 1HA GLY 78 HA1 GLY 78 9.152 -7.741 -12.850 580 2HA GLY 78 HA2 GLY 78 8.510 -7.623 -14.481 581 H TYR 79 HN TYR 79 9.026 -6.016 -11.565 582 HA TYR 79 HA TYR 79 7.398 -3.751 -12.502 583 1HB TYR 79 HB2 TYR 79 6.830 -5.116 -10.222 584 2HB TYR 79 HB1 TYR 79 7.923 -3.883 -9.596 585 HD1 TYR 79 HD1 TYR 79 7.372 -1.458 -9.989 586 HD2 TYR 79 HD2 TYR 79 4.599 -4.583 -10.786 587 HE1 TYR 79 HE1 TYR 79 5.536 0.175 -9.967 588 HE2 TYR 79 HE2 TYR 79 2.756 -2.958 -10.766 589 HH TYR 79 HH TYR 79 2.510 -0.467 -9.537 590 H THR 80 HN THR 80 8.640 -2.470 -9.908 591 HA THR 80 HA THR 80 11.132 -1.664 -11.244 592 HB THR 80 HB THR 80 9.710 -0.065 -9.124 593 HG1 THR 80 HG1 THR 80 8.161 0.084 -10.543 594 1HG2 THR 80 HG2 THR 80 12.060 0.340 -10.672 595 2HG2 THR 80 HG2 THR 80 11.344 1.377 -9.439 596 3HG2 THR 80 HG2 THR 80 10.853 1.543 -11.124 597 H VAL 81 HN VAL 81 10.053 -1.253 -7.886 598 HA VAL 81 HA VAL 81 12.462 -2.718 -7.028 599 HB VAL 81 HB VAL 81 11.216 -0.498 -5.428 600 1HG1 VAL 81 HG2 VAL 81 12.622 -1.649 -4.023 601 2HG1 VAL 81 HG2 VAL 81 13.731 -0.453 -4.693 602 3HG1 VAL 81 HG2 VAL 81 13.728 -2.101 -5.321 603 1HG2 VAL 81 HG1 VAL 81 11.786 0.706 -7.322 604 2HG2 VAL 81 HG1 VAL 81 13.171 -0.324 -7.686 605 3HG2 VAL 81 HG1 VAL 81 13.252 0.822 -6.348 606 H LEU 82 HN LEU 82 12.039 -4.493 -5.925 607 HA LEU 82 HA LEU 82 9.579 -4.645 -4.318 608 1HB LEU 82 HB2 LEU 82 10.923 -6.877 -5.853 609 2HB LEU 82 HB1 LEU 82 9.530 -7.067 -4.810 610 HG LEU 82 HG LEU 82 8.666 -7.076 -6.991 611 1HD1 LEU 82 HD1 LEU 82 7.023 -5.727 -6.390 612 2HD1 LEU 82 HD1 LEU 82 7.964 -4.347 -6.955 613 3HD1 LEU 82 HD1 LEU 82 8.094 -4.876 -5.278 614 1HD2 LEU 82 HD2 LEU 82 9.233 -5.510 -8.723 615 2HD2 LEU 82 HD2 LEU 82 10.711 -6.232 -8.087 616 3HD2 LEU 82 HD2 LEU 82 10.254 -4.595 -7.613 617 H ASP 83 HN ASP 83 10.253 -4.440 -2.261 618 HA ASP 83 HA ASP 83 12.409 -6.226 -1.354 619 1HB ASP 83 HB1 ASP 83 11.991 -3.325 -0.617 620 2HB ASP 83 HB2 ASP 83 13.042 -4.411 0.288 621 H ILE 84 HN ILE 84 12.065 -7.277 0.556 622 HA ILE 84 HA ILE 84 9.580 -6.637 2.002 623 HB ILE 84 HB ILE 84 9.010 -8.900 2.267 624 1HG1 ILE 84 HG1 ILE 84 11.344 -9.714 2.666 625 2HG1 ILE 84 HG1 ILE 84 10.387 -10.780 1.645 626 1HG2 ILE 84 HG2 ILE 84 8.171 -8.385 0.216 627 2HG2 ILE 84 HG2 ILE 84 9.197 -9.753 -0.214 628 3HG2 ILE 84 HG2 ILE 84 9.763 -8.106 -0.493 629 1HD1 ILE 84 HD1 ILE 84 11.913 -8.824 0.130 630 2HD1 ILE 84 HD1 ILE 84 11.791 -10.573 -0.064 631 3HD1 ILE 84 HD1 ILE 84 12.915 -9.892 1.112 632 H GLN 85 HN GLN 85 9.514 -7.630 4.208 633 HA GLN 85 HA GLN 85 12.057 -8.195 5.461 634 1HB GLN 85 HB1 GLN 85 11.730 -5.632 5.335 635 2HB GLN 85 HB2 GLN 85 10.491 -5.872 6.559 636 1HG GLN 85 HG1 GLN 85 12.128 -6.851 8.058 637 2HG GLN 85 HG2 GLN 85 13.378 -6.679 6.825 638 1HE2 GLN 85 HE2 GLN 85 12.650 -5.474 9.610 639 2HE2 GLN 85 HE2 GLN 85 13.004 -3.797 9.393 640 H GLN 86 HN GLN 86 11.838 -9.301 7.387 641 HA GLN 86 HA GLN 86 9.078 -9.776 8.305 642 1HB GLN 86 HB2 GLN 86 10.877 -11.987 8.862 643 2HB GLN 86 HB1 GLN 86 9.299 -11.995 8.089 644 1HG GLN 86 HG2 GLN 86 10.436 -12.679 6.294 645 2HG GLN 86 HG1 GLN 86 10.827 -10.970 6.106 646 1HE2 GLN 86 HE2 GLN 86 12.874 -10.230 6.705 647 2HE2 GLN 86 HE2 GLN 86 14.209 -11.308 6.912 648 H ASP 87 HN ASP 87 8.809 -10.248 10.546 649 HA ASP 87 HA ASP 87 11.084 -9.388 12.212 650 1HB ASP 87 HB1 ASP 87 9.290 -7.677 12.083 651 2HB ASP 87 HB2 ASP 87 8.148 -8.854 12.725 652 H GLY 88 HN GLY 88 7.874 -10.634 13.065 653 1HA GLY 88 HA1 GLY 88 9.164 -13.047 14.155 654 2HA GLY 88 HA2 GLY 88 8.105 -12.083 15.172 655 HA PRO 89 HA PRO 89 4.894 -14.723 13.630 656 1HB PRO 89 HB2 PRO 89 2.771 -13.547 14.764 657 2HB PRO 89 HB1 PRO 89 3.988 -14.387 15.734 658 1HG PRO 89 HG1 PRO 89 3.648 -11.453 15.242 659 2HG PRO 89 HG2 PRO 89 4.032 -12.296 16.753 660 1HD PRO 89 HD1 PRO 89 5.900 -11.067 15.155 661 2HD PRO 89 HD2 PRO 89 6.263 -12.408 16.259 662 H THR 90 HN THR 90 5.562 -11.753 12.420 663 HA THR 90 HA THR 90 3.442 -11.983 10.415 664 HB THR 90 HB THR 90 2.952 -9.607 10.471 665 HG1 THR 90 HG1 THR 90 4.383 -8.333 11.283 666 1HG2 THR 90 HG2 THR 90 2.743 -9.950 13.347 667 2HG2 THR 90 HG2 THR 90 2.132 -11.328 12.430 668 3HG2 THR 90 HG2 THR 90 1.487 -9.714 12.131 669 H ILE 91 HN ILE 91 3.902 -10.281 8.607 670 HA ILE 91 HA ILE 91 6.731 -9.764 8.207 671 HB ILE 91 HB ILE 91 6.480 -12.050 7.361 672 1HG1 ILE 91 HG1 ILE 91 6.777 -10.133 5.044 673 2HG1 ILE 91 HG1 ILE 91 8.005 -10.327 6.293 674 1HG2 ILE 91 HG2 ILE 91 5.058 -12.604 5.516 675 2HG2 ILE 91 HG2 ILE 91 4.545 -10.925 5.343 676 3HG2 ILE 91 HG2 ILE 91 4.067 -11.849 6.766 677 1HD1 ILE 91 HD1 ILE 91 7.057 -12.772 4.920 678 2HD1 ILE 91 HD1 ILE 91 8.661 -12.355 5.525 679 3HD1 ILE 91 HD1 ILE 91 8.080 -11.658 4.012 680 H ARG 92 HN ARG 92 7.070 -7.959 7.020 681 HA ARG 92 HA ARG 92 4.749 -6.802 5.622 682 1HB ARG 92 HB1 ARG 92 4.895 -5.358 7.399 683 2HB ARG 92 HB2 ARG 92 6.615 -5.638 7.626 684 1HG ARG 92 HG2 ARG 92 6.663 -4.355 5.262 685 2HG ARG 92 HG1 ARG 92 5.221 -3.635 5.982 686 1HD ARG 92 HD1 ARG 92 6.614 -3.207 8.043 687 2HD ARG 92 HD2 ARG 92 8.021 -3.671 7.088 688 HE ARG 92 HE ARG 92 7.868 -1.682 5.926 689 1HH1 ARG 92 HH2 ARG 92 5.075 -2.098 7.968 690 2HH1 ARG 92 HH2 ARG 92 4.527 -0.467 7.768 691 1HH2 ARG 92 HH1 ARG 92 7.153 0.466 5.657 692 2HH2 ARG 92 HH1 ARG 92 5.707 0.990 6.454 693 H TYR 93 HN TYR 93 5.052 -6.198 3.571 694 HA TYR 93 HA TYR 93 7.813 -5.916 2.592 695 1HB TYR 93 HB1 TYR 93 6.020 -6.661 0.475 696 2HB TYR 93 HB2 TYR 93 7.478 -7.470 1.029 697 HD1 TYR 93 HD1 TYR 93 7.358 -9.329 2.595 698 HD2 TYR 93 HD2 TYR 93 3.837 -7.399 1.194 699 HE1 TYR 93 HE1 TYR 93 6.007 -11.219 3.401 700 HE2 TYR 93 HE2 TYR 93 2.477 -9.285 1.996 701 HH TYR 93 HH TYR 93 2.579 -11.093 3.564 702 H LEU 94 HN LEU 94 8.005 -4.569 0.632 703 HA LEU 94 HA LEU 94 5.833 -2.748 0.048 704 1HB LEU 94 HB2 LEU 94 7.384 -0.756 0.520 705 2HB LEU 94 HB1 LEU 94 6.568 -1.515 1.872 706 HG LEU 94 HG LEU 94 9.206 -2.658 1.348 707 1HD1 LEU 94 HD1 LEU 94 10.495 -0.852 1.305 708 2HD1 LEU 94 HD1 LEU 94 9.640 -0.139 2.672 709 3HD1 LEU 94 HD1 LEU 94 9.041 0.108 1.032 710 1HD2 LEU 94 HD2 LEU 94 7.957 -1.399 3.785 711 2HD2 LEU 94 HD2 LEU 94 9.418 -2.388 3.751 712 3HD2 LEU 94 HD2 LEU 94 7.857 -3.104 3.346 713 H ILE 95 HN ILE 95 6.092 -1.624 -1.879 714 HA ILE 95 HA ILE 95 8.566 -2.166 -3.378 715 HB ILE 95 HB ILE 95 7.530 -3.021 -5.157 716 1HG1 ILE 95 HG1 ILE 95 4.999 -2.041 -5.619 717 2HG1 ILE 95 HG1 ILE 95 5.776 -0.669 -4.833 718 1HG2 ILE 95 HG2 ILE 95 4.871 -3.400 -4.140 719 2HG2 ILE 95 HG2 ILE 95 6.059 -3.675 -2.867 720 3HG2 ILE 95 HG2 ILE 95 6.162 -4.579 -4.378 721 1HD1 ILE 95 HD1 ILE 95 6.593 -2.055 -7.366 722 2HD1 ILE 95 HD1 ILE 95 7.639 -0.921 -6.510 723 3HD1 ILE 95 HD1 ILE 95 6.085 -0.377 -7.143 724 H GLN 96 HN GLN 96 9.115 -0.547 -4.989 725 HA GLN 96 HA GLN 96 7.680 1.963 -4.911 726 1HB GLN 96 HB1 GLN 96 9.519 3.294 -4.073 727 2HB GLN 96 HB2 GLN 96 9.112 2.057 -2.891 728 1HG GLN 96 HG2 GLN 96 11.158 1.174 -4.748 729 2HG GLN 96 HG1 GLN 96 11.623 2.632 -3.872 730 1HE2 GLN 96 HE2 GLN 96 10.447 -0.661 -3.468 731 2HE2 GLN 96 HE2 GLN 96 11.126 -0.905 -1.898 732 H LYS 97 HN LYS 97 9.445 3.664 -5.989 733 HA LYS 97 HA LYS 97 10.366 2.327 -8.450 734 1HB LYS 97 HB2 LYS 97 9.639 4.195 -9.743 735 2HB LYS 97 HB1 LYS 97 8.297 3.748 -8.698 736 1HG LYS 97 HG2 LYS 97 8.197 5.892 -8.126 737 2HG LYS 97 HG1 LYS 97 9.681 5.618 -7.211 738 1HD LYS 97 HD1 LYS 97 10.708 6.002 -9.670 739 2HD LYS 97 HD2 LYS 97 9.264 7.010 -9.778 740 1HE LYS 97 HE2 LYS 97 10.847 7.282 -7.306 741 2HE LYS 97 HE1 LYS 97 11.617 7.863 -8.782 742 1HZ LYS 97 HZ1 LYS 97 9.048 8.751 -7.608 743 2HZ LYS 97 HZ2 LYS 97 9.511 9.140 -9.188 744 3HZ LYS 97 HZ3 LYS 97 10.441 9.672 -7.879
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