![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
![]() |
7559 |
1kq8 ![]() ![]() |
cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H TYR 8 HN TYR 8 -6.228 1.191 3.146 2 HA TYR 8 HA TYR 8 -8.631 2.593 2.754 3 1HB TYR 8 2HB TYR 8 -7.075 1.291 5.049 4 2HB TYR 8 3HB TYR 8 -8.584 2.111 5.401 5 HD1 TYR 8 HD1 TYR 8 -7.578 -0.112 2.547 6 HD2 TYR 8 HD2 TYR 8 -10.190 0.500 5.879 7 HE1 TYR 8 HE1 TYR 8 -8.869 -2.214 1.930 8 HE2 TYR 8 HE2 TYR 8 -11.473 -1.603 5.251 9 HH TYR 8 HH TYR 8 -11.687 -3.226 3.848 10 H ILE 9 HN ILE 9 -5.494 3.473 4.184 11 HA ILE 9 HA ILE 9 -6.478 5.704 5.626 12 HB ILE 9 HB ILE 9 -3.688 5.082 4.649 13 1HG1 ILE 9 2HG1 ILE 9 -4.847 4.460 7.371 14 2HG1 ILE 9 3HG1 ILE 9 -4.871 3.303 6.055 15 1HG2 ILE 9 1HG2 ILE 9 -2.897 6.600 6.307 16 2HG2 ILE 9 2HG2 ILE 9 -4.133 7.452 5.351 17 3HG2 ILE 9 3HG2 ILE 9 -4.533 6.830 6.970 18 1HD1 ILE 9 1HD1 ILE 9 -2.862 3.182 7.672 19 2HD1 ILE 9 2HD1 ILE 9 -2.482 3.206 5.934 20 3HD1 ILE 9 3HD1 ILE 9 -2.298 4.686 6.905 21 H ALA 10 HN ALA 10 -4.697 5.369 2.476 22 HA ALA 10 HA ALA 10 -4.768 8.052 1.808 23 1HB ALA 10 1HB ALA 10 -4.242 7.287 -0.424 24 2HB ALA 10 2HB ALA 10 -3.435 6.199 0.731 25 3HB ALA 10 3HB ALA 10 -4.927 5.678 -0.089 26 H LEU 11 HN LEU 11 -7.146 5.400 1.182 27 HA LEU 11 HA LEU 11 -8.879 6.903 -0.389 28 1HB LEU 11 2HB LEU 11 -10.054 5.025 -0.449 29 2HB LEU 11 3HB LEU 11 -8.696 4.323 0.407 30 HG LEU 11 HG LEU 11 -9.934 4.904 2.570 31 1HD1 LEU 11 1HD1 LEU 11 -12.569 4.756 1.477 32 2HD1 LEU 11 2HD1 LEU 11 -11.844 6.024 2.494 33 3HD1 LEU 11 3HD1 LEU 11 -11.715 6.123 0.721 34 1HD2 LEU 11 1HD2 LEU 11 -9.851 2.649 1.096 35 2HD2 LEU 11 2HD2 LEU 11 -10.705 2.783 2.652 36 3HD2 LEU 11 3HD2 LEU 11 -11.609 2.930 1.125 37 H ILE 12 HN ILE 12 -8.625 6.493 3.183 38 HA ILE 12 HA ILE 12 -10.957 7.955 3.758 39 HB ILE 12 HB ILE 12 -8.794 6.659 5.169 40 1HG1 ILE 12 2HG1 ILE 12 -10.762 6.692 6.936 41 2HG1 ILE 12 3HG1 ILE 12 -11.710 7.232 5.565 42 1HG2 ILE 12 1HG2 ILE 12 -9.043 8.091 7.251 43 2HG2 ILE 12 2HG2 ILE 12 -8.036 8.756 5.942 44 3HG2 ILE 12 3HG2 ILE 12 -9.694 9.358 6.183 45 1HD1 ILE 12 1HD1 ILE 12 -9.994 4.707 5.639 46 2HD1 ILE 12 2HD1 ILE 12 -11.769 4.766 5.755 47 3HD1 ILE 12 3HD1 ILE 12 -10.959 5.255 4.248 48 H THR 13 HN THR 13 -7.530 8.844 3.201 49 HA THR 13 HA THR 13 -7.683 11.477 4.117 50 HB THR 13 HB THR 13 -5.987 10.077 1.988 51 HG1 THR 13 HG1 THR 13 -5.561 11.021 4.734 52 1HG2 THR 13 1HG2 THR 13 -5.784 12.845 3.259 53 2HG2 THR 13 2HG2 THR 13 -4.344 11.981 2.669 54 3HG2 THR 13 3HG2 THR 13 -5.645 12.420 1.536 55 H MET 14 HN MET 14 -8.246 10.130 0.803 56 HA MET 14 HA MET 14 -8.877 12.657 -0.236 57 1HB MET 14 2HB MET 14 -9.712 11.277 -2.190 58 2HB MET 14 3HB MET 14 -8.113 10.787 -1.663 59 1HG MET 14 2HG MET 14 -9.019 8.872 -0.440 60 2HG MET 14 3HG MET 14 -10.664 9.425 -0.682 61 1HE MET 14 1HE MET 14 -12.073 8.206 -3.075 62 2HE MET 14 2HE MET 14 -11.224 6.655 -2.864 63 3HE MET 14 3HE MET 14 -11.593 7.668 -1.447 64 H ALA 15 HN ALA 15 -10.686 10.211 1.544 65 HA ALA 15 HA ALA 15 -13.261 10.986 0.650 66 1HB ALA 15 1HB ALA 15 -12.508 9.645 3.271 67 2HB ALA 15 2HB ALA 15 -14.040 9.514 2.375 68 3HB ALA 15 3HB ALA 15 -12.558 8.781 1.715 69 H ILE 16 HN ILE 16 -11.278 11.722 3.601 70 HA ILE 16 HA ILE 16 -13.200 13.498 4.657 71 HB ILE 16 HB ILE 16 -10.243 13.252 5.222 72 1HG1 ILE 16 2HG1 ILE 16 -11.608 11.135 5.450 73 2HG1 ILE 16 3HG1 ILE 16 -10.753 11.661 6.886 74 1HG2 ILE 16 1HG2 ILE 16 -11.545 14.041 7.538 75 2HG2 ILE 16 2HG2 ILE 16 -10.555 15.068 6.473 76 3HG2 ILE 16 3HG2 ILE 16 -12.322 15.011 6.263 77 1HD1 ILE 16 1HD1 ILE 16 -13.501 11.098 6.694 78 2HD1 ILE 16 2HD1 ILE 16 -12.685 11.911 8.051 79 3HD1 ILE 16 3HD1 ILE 16 -13.420 12.875 6.748 80 H ARG 17 HN ARG 17 -10.565 13.775 2.298 81 HA ARG 17 HA ARG 17 -10.073 16.430 2.416 82 1HB ARG 17 2HB ARG 17 -9.317 14.377 0.763 83 2HB ARG 17 3HB ARG 17 -10.361 15.259 -0.335 84 1HG ARG 17 2HG ARG 17 -8.761 17.226 0.987 85 2HG ARG 17 3HG ARG 17 -7.670 15.925 0.555 86 1HD ARG 17 2HD ARG 17 -7.664 17.268 -1.392 87 2HD ARG 17 3HD ARG 17 -8.815 16.012 -1.803 88 HE ARG 17 HE ARG 17 -10.574 17.583 -1.683 89 1HH1 ARG 17 2HH2 ARG 17 -7.605 18.983 -0.416 90 2HH1 ARG 17 1HH2 ARG 17 -8.237 20.595 -0.363 91 1HH2 ARG 17 2HH1 ARG 17 -11.408 19.709 -1.614 92 2HH2 ARG 17 1HH1 ARG 17 -10.414 21.011 -1.049 93 H ASP 18 HN ASP 18 -13.023 14.806 1.538 94 HA ASP 18 HA ASP 18 -14.138 16.350 -0.347 95 1HB ASP 18 2HB ASP 18 -15.265 14.408 0.645 96 2HB ASP 18 3HB ASP 18 -15.391 15.217 2.194 97 H SER 19 HN SER 19 -13.525 17.071 3.100 98 HA SER 19 HA SER 19 -15.091 19.477 2.967 99 1HB SER 19 2HB SER 19 -14.753 19.646 5.317 100 2HB SER 19 3HB SER 19 -14.934 17.930 5.012 101 HG SER 19 HG SER 19 -12.969 17.605 5.781 102 H ALA 20 HN ALA 20 -12.958 20.622 4.998 103 HA ALA 20 HA ALA 20 -10.621 21.059 3.472 104 1HB ALA 20 1HB ALA 20 -11.873 23.684 3.664 105 2HB ALA 20 2HB ALA 20 -11.128 22.885 2.259 106 3HB ALA 20 3HB ALA 20 -12.839 22.585 2.650 107 H GLY 21 HN GLY 21 -11.468 20.204 6.142 108 1HA GLY 21 1HA GLY 21 -10.542 20.478 8.200 109 2HA GLY 21 2HA GLY 21 -9.787 21.969 7.675 110 H GLY 22 HN GLY 22 -13.290 21.110 7.482 111 1HA GLY 22 1HA GLY 22 -13.839 23.133 9.561 112 2HA GLY 22 2HA GLY 22 -14.640 23.204 8.003 113 H ARG 23 HN ARG 23 -15.703 21.004 7.279 114 HA ARG 23 HA ARG 23 -16.465 19.305 9.403 115 1HB ARG 23 2HB ARG 23 -18.964 19.792 9.136 116 2HB ARG 23 3HB ARG 23 -18.054 21.043 9.959 117 1HG ARG 23 2HG ARG 23 -17.877 22.328 7.820 118 2HG ARG 23 3HG ARG 23 -18.777 21.074 6.990 119 1HD ARG 23 2HD ARG 23 -20.794 21.553 8.193 120 2HD ARG 23 3HD ARG 23 -19.945 22.444 9.441 121 HE ARG 23 HE ARG 23 -20.765 23.462 6.817 122 1HH1 ARG 23 2HH2 ARG 23 -18.577 23.921 9.534 123 2HH1 ARG 23 1HH2 ARG 23 -18.319 25.602 9.207 124 1HH2 ARG 23 2HH1 ARG 23 -20.426 25.680 6.385 125 2HH2 ARG 23 1HH1 ARG 23 -19.378 26.610 7.404 126 H LEU 24 HN LEU 24 -17.860 17.477 8.578 127 HA LEU 24 HA LEU 24 -18.441 17.377 5.790 128 1HB LEU 24 2HB LEU 24 -16.686 16.341 4.950 129 2HB LEU 24 3HB LEU 24 -15.827 16.820 6.400 130 HG LEU 24 HG LEU 24 -17.351 14.219 6.271 131 1HD1 LEU 24 1HD1 LEU 24 -14.552 14.783 5.278 132 2HD1 LEU 24 2HD1 LEU 24 -15.116 13.159 5.738 133 3HD1 LEU 24 3HD1 LEU 24 -15.908 14.031 4.404 134 1HD2 LEU 24 1HD2 LEU 24 -16.303 13.650 8.210 135 2HD2 LEU 24 2HD2 LEU 24 -14.854 14.620 7.850 136 3HD2 LEU 24 3HD2 LEU 24 -16.341 15.418 8.418 137 H THR 25 HN THR 25 -19.320 15.104 5.230 138 HA THR 25 HA THR 25 -20.543 13.968 7.659 139 HB THR 25 HB THR 25 -22.629 13.983 6.574 140 HG1 THR 25 HG1 THR 25 -22.642 13.370 4.430 141 1HG2 THR 25 1HG2 THR 25 -22.911 16.059 5.234 142 2HG2 THR 25 2HG2 THR 25 -21.900 16.391 6.660 143 3HG2 THR 25 3HG2 THR 25 -21.145 16.197 5.060 144 H LEU 26 HN LEU 26 -19.760 12.012 8.096 145 HA LEU 26 HA LEU 26 -18.254 10.545 6.265 146 1HB LEU 26 2HB LEU 26 -19.384 10.155 8.970 147 2HB LEU 26 3HB LEU 26 -19.017 8.691 8.080 148 HG LEU 26 HG LEU 26 -17.191 9.459 9.580 149 1HD1 LEU 26 1HD1 LEU 26 -15.868 9.709 6.975 150 2HD1 LEU 26 2HD1 LEU 26 -15.689 8.477 8.248 151 3HD1 LEU 26 3HD1 LEU 26 -17.018 8.353 7.071 152 1HD2 LEU 26 1HD2 LEU 26 -15.952 11.418 9.224 153 2HD2 LEU 26 2HD2 LEU 26 -16.683 11.701 7.626 154 3HD2 LEU 26 3HD2 LEU 26 -17.653 11.928 9.101 155 H ALA 27 HN ALA 27 -21.692 10.958 6.640 156 HA ALA 27 HA ALA 27 -22.544 8.472 5.662 157 1HB ALA 27 1HB ALA 27 -23.654 11.001 6.457 158 2HB ALA 27 2HB ALA 27 -24.347 10.550 4.882 159 3HB ALA 27 3HB ALA 27 -24.479 9.436 6.264 160 H GLU 28 HN GLU 28 -21.788 11.625 4.046 161 HA GLU 28 HA GLU 28 -22.395 10.578 1.496 162 1HB GLU 28 2HB GLU 28 -21.308 13.132 2.614 163 2HB GLU 28 3HB GLU 28 -20.899 12.789 0.945 164 1HG GLU 28 2HG GLU 28 -23.055 13.089 0.213 165 2HG GLU 28 3HG GLU 28 -23.749 12.266 1.596 166 H ILE 29 HN ILE 29 -19.425 11.033 3.465 167 HA ILE 29 HA ILE 29 -17.563 10.521 1.473 168 HB ILE 29 HB ILE 29 -17.661 10.654 4.386 169 1HG1 ILE 29 2HG1 ILE 29 -15.804 12.051 4.119 170 2HG1 ILE 29 3HG1 ILE 29 -15.311 11.293 2.617 171 1HG2 ILE 29 1HG2 ILE 29 -15.379 9.511 4.582 172 2HG2 ILE 29 2HG2 ILE 29 -16.819 8.469 4.485 173 3HG2 ILE 29 3HG2 ILE 29 -15.790 8.701 3.051 174 1HD1 ILE 29 1HD1 ILE 29 -16.946 12.401 1.348 175 2HD1 ILE 29 2HD1 ILE 29 -18.013 12.644 2.751 176 3HD1 ILE 29 3HD1 ILE 29 -16.545 13.633 2.569 177 H ASN 30 HN ASN 30 -19.200 8.257 3.787 178 HA ASN 30 HA ASN 30 -17.943 6.010 2.706 179 1HB ASN 30 2HB ASN 30 -20.481 6.389 4.368 180 2HB ASN 30 3HB ASN 30 -19.906 4.797 3.913 181 1HD2 ASN 30 1HD2 ASN 30 -20.046 4.995 6.435 182 2HD2 ASN 30 2HD2 ASN 30 -18.543 5.305 7.238 183 H GLU 31 HN GLU 31 -20.857 7.911 1.950 184 HA GLU 31 HA GLU 31 -22.294 6.033 0.554 185 1HB GLU 31 2HB GLU 31 -23.234 8.198 1.182 186 2HB GLU 31 3HB GLU 31 -22.076 9.050 0.180 187 1HG GLU 31 2HG GLU 31 -23.052 8.165 -1.861 188 2HG GLU 31 3HG GLU 31 -24.032 7.015 -0.973 189 H TYR 32 HN TYR 32 -19.753 8.350 -0.593 190 HA TYR 32 HA TYR 32 -19.877 7.309 -3.265 191 1HB TYR 32 2HB TYR 32 -18.549 9.221 -3.626 192 2HB TYR 32 3HB TYR 32 -19.139 9.664 -2.037 193 HD1 TYR 32 HD1 TYR 32 -16.359 7.658 -3.573 194 HD2 TYR 32 HD2 TYR 32 -17.580 10.303 -0.441 195 HE1 TYR 32 HE1 TYR 32 -13.971 7.742 -2.704 196 HE2 TYR 32 HE2 TYR 32 -15.188 10.379 0.418 197 HH TYR 32 HH TYR 32 -12.600 9.423 -1.372 198 H LEU 33 HN LEU 33 -18.086 6.654 -0.287 199 HA LEU 33 HA LEU 33 -15.793 5.534 -1.376 200 1HB LEU 33 2HB LEU 33 -16.843 5.986 1.132 201 2HB LEU 33 3HB LEU 33 -16.804 4.236 1.045 202 HG LEU 33 HG LEU 33 -14.431 4.225 0.649 203 1HD1 LEU 33 1HD1 LEU 33 -13.435 5.875 -0.445 204 2HD1 LEU 33 2HD1 LEU 33 -14.876 6.907 -0.272 205 3HD1 LEU 33 3HD1 LEU 33 -13.620 6.912 0.990 206 1HD2 LEU 33 1HD2 LEU 33 -15.642 5.311 2.997 207 2HD2 LEU 33 2HD2 LEU 33 -14.168 4.326 2.846 208 3HD2 LEU 33 3HD2 LEU 33 -14.066 6.100 2.752 209 H MET 34 HN MET 34 -18.991 4.043 -0.563 210 HA MET 34 HA MET 34 -18.116 1.532 -1.577 211 1HB MET 34 2HB MET 34 -20.532 2.713 -0.259 212 2HB MET 34 3HB MET 34 -20.891 1.397 -1.359 213 1HG MET 34 2HG MET 34 -19.880 -0.187 -0.017 214 2HG MET 34 3HG MET 34 -18.580 0.887 0.458 215 1HE MET 34 1HE MET 34 -22.012 -0.616 1.379 216 2HE MET 34 2HE MET 34 -20.498 -1.215 2.100 217 3HE MET 34 3HE MET 34 -21.728 -0.440 3.127 218 H GLY 35 HN GLY 35 -19.795 4.400 -2.798 219 1HA GLY 35 1HA GLY 35 -20.942 3.100 -5.090 220 2HA GLY 35 2HA GLY 35 -20.860 4.819 -4.757 221 H LYS 36 HN LYS 36 -17.746 3.906 -4.205 222 HA LYS 36 HA LYS 36 -17.021 4.327 -7.020 223 1HB LYS 36 2HB LYS 36 -16.516 6.115 -5.193 224 2HB LYS 36 3HB LYS 36 -15.245 5.020 -4.688 225 1HG LYS 36 2HG LYS 36 -15.313 5.412 -7.620 226 2HG LYS 36 3HG LYS 36 -15.058 6.909 -6.744 227 1HD LYS 36 2HD LYS 36 -13.195 5.774 -5.448 228 2HD LYS 36 3HD LYS 36 -13.410 4.353 -6.450 229 1HE LYS 36 2HE LYS 36 -13.070 5.962 -8.483 230 2HE LYS 36 3HE LYS 36 -12.473 7.118 -7.309 231 1HZ LYS 36 1HZ LYS 36 -10.649 5.886 -6.926 232 2HZ LYS 36 2HZ LYS 36 -11.383 4.447 -7.169 233 3HZ LYS 36 3HZ LYS 36 -10.928 5.357 -8.446 234 H PHE 37 HN PHE 37 -15.874 2.812 -3.921 235 HA PHE 37 HA PHE 37 -14.215 1.007 -5.423 236 1HB PHE 37 2HB PHE 37 -15.002 1.417 -2.482 237 2HB PHE 37 3HB PHE 37 -13.909 0.136 -2.968 238 HD1 PHE 37 HD1 PHE 37 -12.545 1.504 -1.176 239 HD2 PHE 37 HD2 PHE 37 -13.408 2.887 -5.094 240 HE1 PHE 37 HE1 PHE 37 -10.614 3.100 -1.038 241 HE2 PHE 37 HE2 PHE 37 -11.476 4.484 -4.955 242 HZ PHE 37 HZ PHE 37 -10.102 4.571 -2.929 243 HA PRO 38 HA PRO 38 -17.519 -1.884 -5.665 244 1HB PRO 38 2HB PRO 38 -16.334 -3.580 -7.450 245 2HB PRO 38 3HB PRO 38 -17.258 -2.173 -7.935 246 1HG PRO 38 2HG PRO 38 -14.327 -2.554 -7.933 247 2HG PRO 38 3HG PRO 38 -15.278 -1.356 -8.789 248 1HD PRO 38 2HD PRO 38 -13.729 -0.938 -6.411 249 2HD PRO 38 3HD PRO 38 -14.771 0.228 -7.202 250 H PHE 39 HN PHE 39 -14.168 -2.801 -5.200 251 HA PHE 39 HA PHE 39 -14.659 -5.347 -4.232 252 1HB PHE 39 2HB PHE 39 -12.559 -3.202 -3.555 253 2HB PHE 39 3HB PHE 39 -12.387 -4.881 -3.085 254 HD1 PHE 39 HD1 PHE 39 -11.551 -2.515 -5.513 255 HD2 PHE 39 HD2 PHE 39 -12.619 -6.601 -5.103 256 HE1 PHE 39 HE1 PHE 39 -10.464 -3.020 -7.718 257 HE2 PHE 39 HE2 PHE 39 -11.532 -7.107 -7.307 258 HZ PHE 39 HZ PHE 39 -10.467 -5.310 -8.589 259 H PHE 40 HN PHE 40 -14.877 -2.144 -2.663 260 HA PHE 40 HA PHE 40 -14.958 -3.164 -0.025 261 1HB PHE 40 2HB PHE 40 -14.754 -0.701 -1.363 262 2HB PHE 40 3HB PHE 40 -16.385 -0.619 -0.726 263 HD1 PHE 40 HD1 PHE 40 -16.188 0.995 0.954 264 HD2 PHE 40 HD2 PHE 40 -13.427 -2.225 0.848 265 HE1 PHE 40 HE1 PHE 40 -15.281 1.700 3.185 266 HE2 PHE 40 HE2 PHE 40 -12.520 -1.521 3.080 267 HZ PHE 40 HZ PHE 40 -13.457 0.434 4.222 268 H ARG 41 HN ARG 41 -17.396 -2.454 -2.556 269 HA ARG 41 HA ARG 41 -19.510 -2.931 -0.684 270 1HB ARG 41 2HB ARG 41 -19.315 -1.384 -2.965 271 2HB ARG 41 3HB ARG 41 -20.127 -2.798 -3.608 272 1HG ARG 41 2HG ARG 41 -21.488 -2.338 -1.201 273 2HG ARG 41 3HG ARG 41 -21.153 -0.717 -1.776 274 1HD ARG 41 2HD ARG 41 -21.995 -1.844 -4.119 275 2HD ARG 41 3HD ARG 41 -22.889 -2.843 -2.990 276 HE ARG 41 HE ARG 41 -23.138 -0.066 -2.248 277 1HH1 ARG 41 2HH2 ARG 41 -24.272 -2.398 -4.626 278 2HH1 ARG 41 1HH2 ARG 41 -25.758 -1.561 -4.927 279 1HH2 ARG 41 2HH1 ARG 41 -25.099 1.039 -2.644 280 2HH2 ARG 41 1HH1 ARG 41 -26.231 0.408 -3.792 281 H GLY 42 HN GLY 42 -17.375 -4.989 -1.841 282 1HA GLY 42 1HA GLY 42 -19.354 -7.116 -2.308 283 2HA GLY 42 2HA GLY 42 -18.044 -6.888 -3.450 284 H SER 43 HN SER 43 -17.952 -6.447 0.137 285 HA SER 43 HA SER 43 -16.392 -8.871 0.328 286 1HB SER 43 2HB SER 43 -15.395 -6.171 1.341 287 2HB SER 43 3HB SER 43 -14.609 -7.710 1.630 288 HG SER 43 HG SER 43 -15.166 -6.863 -1.061 289 H TYR 44 HN TYR 44 -17.122 -5.942 2.373 290 HA TYR 44 HA TYR 44 -19.073 -7.289 3.911 291 1HB TYR 44 2HB TYR 44 -17.693 -7.549 5.956 292 2HB TYR 44 3HB TYR 44 -16.864 -8.376 4.652 293 HD1 TYR 44 HD1 TYR 44 -16.403 -6.218 7.344 294 HD2 TYR 44 HD2 TYR 44 -15.177 -6.745 3.279 295 HE1 TYR 44 HE1 TYR 44 -14.315 -4.837 7.787 296 HE2 TYR 44 HE2 TYR 44 -13.094 -5.362 3.736 297 HH TYR 44 HH TYR 44 -12.636 -3.382 5.666 298 H THR 45 HN THR 45 -20.409 -5.541 4.055 299 HA THR 45 HA THR 45 -19.322 -2.896 4.328 300 HB THR 45 HB THR 45 -21.620 -2.238 4.011 301 HG1 THR 45 HG1 THR 45 -22.197 -5.036 4.679 302 1HG2 THR 45 1HG2 THR 45 -20.518 -4.190 2.289 303 2HG2 THR 45 2HG2 THR 45 -22.143 -4.808 2.673 304 3HG2 THR 45 3HG2 THR 45 -21.953 -3.191 1.955 305 H GLY 46 HN GLY 46 -18.130 -4.003 6.375 306 1HA GLY 46 1HA GLY 46 -19.628 -2.944 8.671 307 2HA GLY 46 2HA GLY 46 -19.002 -4.579 8.744 308 H TRP 47 HN TRP 47 -17.316 -2.023 6.917 309 HA TRP 47 HA TRP 47 -15.111 -2.262 8.823 310 1HB TRP 47 2HB TRP 47 -13.975 -0.965 6.830 311 2HB TRP 47 3HB TRP 47 -14.157 -2.708 6.829 312 HD1 TRP 47 HD1 TRP 47 -15.197 -3.641 4.624 313 HE1 TRP 47 HE1 TRP 47 -16.660 -2.778 2.604 314 HE3 TRP 47 HE3 TRP 47 -15.967 1.025 6.492 315 HZ2 TRP 47 HZ2 TRP 47 -17.946 -0.296 2.028 316 HZ3 TRP 47 HZ3 TRP 47 -17.337 2.607 5.138 317 HH2 TRP 47 HH2 TRP 47 -18.312 2.011 2.978 318 H ARG 48 HN ARG 48 -17.788 -0.295 7.956 319 HA ARG 48 HA ARG 48 -16.857 2.227 8.065 320 1HB ARG 48 2HB ARG 48 -19.203 1.803 7.631 321 2HB ARG 48 3HB ARG 48 -19.421 1.002 9.174 322 1HG ARG 48 2HG ARG 48 -19.005 3.147 10.368 323 2HG ARG 48 3HG ARG 48 -18.721 3.958 8.841 324 1HD ARG 48 2HD ARG 48 -20.963 4.100 8.349 325 2HD ARG 48 3HD ARG 48 -21.298 2.481 8.930 326 HE ARG 48 HE ARG 48 -20.675 4.409 11.062 327 1HH1 ARG 48 2HH2 ARG 48 -23.212 2.958 9.101 328 2HH1 ARG 48 1HH2 ARG 48 -24.472 3.329 10.229 329 1HH2 ARG 48 2HH1 ARG 48 -22.338 4.899 12.550 330 2HH2 ARG 48 1HH1 ARG 48 -23.972 4.440 12.204 331 H ASN 49 HN ASN 49 -16.900 -0.184 10.602 332 HA ASN 49 HA ASN 49 -16.881 1.661 12.747 333 1HB ASN 49 2HB ASN 49 -17.665 -0.655 13.089 334 2HB ASN 49 3HB ASN 49 -16.128 -1.300 12.549 335 1HD2 ASN 49 1HD2 ASN 49 -15.235 -2.225 14.238 336 2HD2 ASN 49 2HD2 ASN 49 -14.976 -1.517 15.797 337 H SER 50 HN SER 50 -14.468 -0.437 11.016 338 HA SER 50 HA SER 50 -12.308 0.511 12.559 339 1HB SER 50 2HB SER 50 -12.765 -1.604 10.773 340 2HB SER 50 3HB SER 50 -11.610 -0.599 9.921 341 HG SER 50 HG SER 50 -11.315 -2.040 12.356 342 H VAL 51 HN VAL 51 -13.919 1.449 9.527 343 HA VAL 51 HA VAL 51 -11.816 3.075 8.557 344 HB VAL 51 HB VAL 51 -14.734 2.707 7.977 345 1HG1 VAL 51 1HG1 VAL 51 -13.951 4.357 5.950 346 2HG1 VAL 51 2HG1 VAL 51 -14.866 4.883 7.384 347 3HG1 VAL 51 3HG1 VAL 51 -13.098 5.085 7.333 348 1HG2 VAL 51 1HG2 VAL 51 -12.623 1.298 7.142 349 2HG2 VAL 51 2HG2 VAL 51 -14.039 1.594 6.104 350 3HG2 VAL 51 3HG2 VAL 51 -12.575 2.588 5.917 351 H ARG 52 HN ARG 52 -14.964 3.840 10.210 352 HA ARG 52 HA ARG 52 -14.492 6.526 10.409 353 1HB ARG 52 2HB ARG 52 -16.309 6.557 12.004 354 2HB ARG 52 3HB ARG 52 -16.664 5.254 10.887 355 1HG ARG 52 2HG ARG 52 -15.672 3.610 12.503 356 2HG ARG 52 3HG ARG 52 -15.343 4.917 13.622 357 1HD ARG 52 2HD ARG 52 -18.029 5.337 13.108 358 2HD ARG 52 3HD ARG 52 -17.934 3.593 12.969 359 HE ARG 52 HE ARG 52 -16.554 4.007 15.287 360 1HH1 ARG 52 2HH2 ARG 52 -19.653 5.247 14.175 361 2HH1 ARG 52 1HH2 ARG 52 -20.313 5.390 15.770 362 1HH2 ARG 52 2HH1 ARG 52 -17.424 4.195 17.392 363 2HH2 ARG 52 1HH1 ARG 52 -19.037 4.787 17.612 364 H HIS 53 HN HIS 53 -13.561 3.791 12.559 365 HA HIS 53 HA HIS 53 -12.711 5.280 14.729 366 1HB HIS 53 2HB HIS 53 -12.322 2.543 13.686 367 2HB HIS 53 3HB HIS 53 -11.044 3.108 14.744 368 HD1 HIS 53 HD1 HIS 53 -14.650 4.157 15.266 369 HD2 HIS 53 HD2 HIS 53 -11.833 1.519 16.910 370 HE1 HIS 53 HE1 HIS 53 -15.663 3.295 17.443 371 H ASN 54 HN ASN 54 -10.784 3.992 11.927 372 HA ASN 54 HA ASN 54 -8.433 5.208 12.725 373 1HB ASN 54 2HB ASN 54 -9.213 3.483 10.689 374 2HB ASN 54 3HB ASN 54 -8.873 4.942 9.781 375 1HD2 ASN 54 1HD2 ASN 54 -6.920 5.009 9.007 376 2HD2 ASN 54 2HD2 ASN 54 -5.469 4.412 9.741 377 H LEU 55 HN LEU 55 -11.319 6.330 10.982 378 HA LEU 55 HA LEU 55 -10.276 8.495 9.610 379 1HB LEU 55 2HB LEU 55 -12.635 7.364 9.669 380 2HB LEU 55 3HB LEU 55 -12.982 8.572 10.890 381 HG LEU 55 HG LEU 55 -11.921 10.154 8.952 382 1HD1 LEU 55 1HD1 LEU 55 -13.512 8.985 6.980 383 2HD1 LEU 55 2HD1 LEU 55 -11.735 9.082 7.014 384 3HD1 LEU 55 3HD1 LEU 55 -12.560 7.640 7.653 385 1HD2 LEU 55 1HD2 LEU 55 -13.882 10.929 9.805 386 2HD2 LEU 55 2HD2 LEU 55 -14.477 10.336 8.236 387 3HD2 LEU 55 3HD2 LEU 55 -14.691 9.347 9.701 388 H SER 56 HN SER 56 -11.610 8.305 12.978 389 HA SER 56 HA SER 56 -10.856 11.011 13.439 390 1HB SER 56 2HB SER 56 -12.593 10.688 14.862 391 2HB SER 56 3HB SER 56 -12.445 8.944 14.774 392 HG SER 56 HG SER 56 -10.743 9.042 16.367 393 H LEU 57 HN LEU 57 -9.522 7.760 13.930 394 HA LEU 57 HA LEU 57 -7.535 8.659 15.802 395 1HB LEU 57 2HB LEU 57 -8.345 6.088 14.542 396 2HB LEU 57 3HB LEU 57 -6.690 6.227 15.103 397 HG LEU 57 HG LEU 57 -7.532 6.833 17.366 398 1HD1 LEU 57 1HD1 LEU 57 -10.217 5.822 17.079 399 2HD1 LEU 57 2HD1 LEU 57 -9.648 7.364 17.765 400 3HD1 LEU 57 3HD1 LEU 57 -9.969 7.230 16.019 401 1HD2 LEU 57 1HD2 LEU 57 -8.098 4.604 18.028 402 2HD2 LEU 57 2HD2 LEU 57 -8.648 4.195 16.386 403 3HD2 LEU 57 3HD2 LEU 57 -6.923 4.503 16.696 404 H ASN 58 HN ASN 58 -8.014 9.290 12.600 405 HA ASN 58 HA ASN 58 -5.183 9.032 11.982 406 1HB ASN 58 2HB ASN 58 -6.592 7.999 10.281 407 2HB ASN 58 3HB ASN 58 -7.662 9.386 10.230 408 1HD2 ASN 58 1HD2 ASN 58 -7.140 11.183 9.082 409 2HD2 ASN 58 2HD2 ASN 58 -5.785 11.305 8.011 410 H ASP 59 HN ASP 59 -7.855 11.220 10.829 411 HA ASP 59 HA ASP 59 -6.247 13.413 10.532 412 1HB ASP 59 2HB ASP 59 -9.208 12.954 10.861 413 2HB ASP 59 3HB ASP 59 -8.634 14.607 10.965 414 H CYS 60 HN CYS 60 -8.559 12.532 13.209 415 HA CYS 60 HA CYS 60 -8.277 12.837 15.414 416 1HB CYS 60 2HB CYS 60 -5.735 13.441 14.720 417 2HB CYS 60 3HB CYS 60 -6.261 15.023 15.258 418 HG CYS 60 HG CYS 60 -5.728 12.252 16.810 419 H PHE 61 HN PHE 61 -10.402 13.802 14.236 420 HA PHE 61 HA PHE 61 -10.511 16.647 14.956 421 1HB PHE 61 2HB PHE 61 -12.554 16.403 13.235 422 2HB PHE 61 3HB PHE 61 -10.924 16.566 12.612 423 HD1 PHE 61 HD1 PHE 61 -10.859 15.345 10.646 424 HD2 PHE 61 HD2 PHE 61 -12.647 13.599 14.075 425 HE1 PHE 61 HE1 PHE 61 -11.115 13.176 9.408 426 HE2 PHE 61 HE2 PHE 61 -12.903 11.430 12.837 427 HZ PHE 61 HZ PHE 61 -12.134 11.245 10.519 428 H VAL 62 HN VAL 62 -13.269 17.023 14.876 429 HA VAL 62 HA VAL 62 -14.193 15.145 16.940 430 HB VAL 62 HB VAL 62 -13.593 17.389 17.787 431 1HG1 VAL 62 1HG1 VAL 62 -15.345 19.221 17.188 432 2HG1 VAL 62 2HG1 VAL 62 -13.991 18.917 16.074 433 3HG1 VAL 62 3HG1 VAL 62 -15.603 18.254 15.716 434 1HG2 VAL 62 1HG2 VAL 62 -16.579 17.228 17.994 435 2HG2 VAL 62 2HG2 VAL 62 -15.603 15.857 18.572 436 3HG2 VAL 62 3HG2 VAL 62 -15.357 17.479 19.264 437 H LYS 63 HN LYS 63 -16.302 14.352 16.758 438 HA LYS 63 HA LYS 63 -17.691 15.172 14.302 439 1HB LYS 63 2HB LYS 63 -18.139 12.995 13.743 440 2HB LYS 63 3HB LYS 63 -16.555 12.811 14.469 441 1HG LYS 63 2HG LYS 63 -18.225 12.610 16.686 442 2HG LYS 63 3HG LYS 63 -19.196 11.859 15.435 443 1HD LYS 63 2HD LYS 63 -17.876 10.090 16.380 444 2HD LYS 63 3HD LYS 63 -17.150 10.443 14.825 445 1HE LYS 63 2HE LYS 63 -15.306 10.306 16.343 446 2HE LYS 63 3HE LYS 63 -15.535 12.022 16.072 447 1HZ LYS 63 1HZ LYS 63 -16.087 10.465 18.438 448 2HZ LYS 63 2HZ LYS 63 -15.515 11.989 18.303 449 3HZ LYS 63 3HZ LYS 63 -17.112 11.698 18.125 450 H VAL 64 HN VAL 64 -20.148 14.351 14.514 451 HA VAL 64 HA VAL 64 -21.028 15.193 17.190 452 HB VAL 64 HB VAL 64 -22.603 16.569 16.298 453 1HG1 VAL 64 1HG1 VAL 64 -20.990 16.858 13.821 454 2HG1 VAL 64 2HG1 VAL 64 -21.452 18.068 15.042 455 3HG1 VAL 64 3HG1 VAL 64 -20.096 16.959 15.356 456 1HG2 VAL 64 1HG2 VAL 64 -23.294 16.334 13.787 457 2HG2 VAL 64 2HG2 VAL 64 -22.606 14.699 13.939 458 3HG2 VAL 64 3HG2 VAL 64 -23.951 15.200 14.992 459 H LEU 65 HN LEU 65 -22.557 13.921 18.210 460 HA LEU 65 HA LEU 65 -22.955 11.325 17.075 461 1HB LEU 65 2HB LEU 65 -22.550 12.069 19.543 462 2HB LEU 65 3HB LEU 65 -24.282 12.338 19.564 463 HG LEU 65 HG LEU 65 -23.464 9.704 18.503 464 1HD1 LEU 65 1HD1 LEU 65 -23.061 8.791 20.804 465 2HD1 LEU 65 2HD1 LEU 65 -21.759 9.825 20.167 466 3HD1 LEU 65 3HD1 LEU 65 -22.897 10.468 21.376 467 1HD2 LEU 65 1HD2 LEU 65 -25.395 8.943 19.577 468 2HD2 LEU 65 2HD2 LEU 65 -25.400 10.292 20.737 469 3HD2 LEU 65 3HD2 LEU 65 -25.819 10.583 19.032 470 H ARG 66 HN ARG 66 -24.169 11.667 15.158 471 HA ARG 66 HA ARG 66 -25.901 12.192 13.931 472 1HB ARG 66 2HB ARG 66 -26.593 10.055 15.065 473 2HB ARG 66 3HB ARG 66 -27.400 10.984 16.312 474 1HG ARG 66 2HG ARG 66 -29.247 10.799 14.979 475 2HG ARG 66 3HG ARG 66 -28.520 12.095 14.050 476 1HD ARG 66 2HD ARG 66 -27.653 10.607 12.404 477 2HD ARG 66 3HD ARG 66 -27.754 9.216 13.466 478 HE ARG 66 HE ARG 66 -29.923 10.343 11.849 479 1HH1 ARG 66 2HH2 ARG 66 -29.149 8.363 14.653 480 2HH1 ARG 66 1HH2 ARG 66 -30.662 7.521 14.636 481 1HH2 ARG 66 2HH1 ARG 66 -31.920 9.232 11.826 482 2HH2 ARG 66 1HH1 ARG 66 -32.249 8.018 13.017 483 H ASP 67 HN ASP 67 -25.894 14.516 13.920 484 HA ASP 67 HA ASP 67 -27.196 15.895 16.039 485 1HB ASP 67 2HB ASP 67 -26.279 17.796 15.100 486 2HB ASP 67 3HB ASP 67 -25.225 16.610 14.355 487 HA PRO 68 HA PRO 68 -31.081 16.334 14.044 488 1HB PRO 68 2HB PRO 68 -31.845 18.913 14.525 489 2HB PRO 68 3HB PRO 68 -31.960 17.640 15.724 490 1HG PRO 68 2HG PRO 68 -30.003 19.849 15.547 491 2HG PRO 68 3HG PRO 68 -30.401 18.842 16.926 492 1HD PRO 68 2HD PRO 68 -28.073 18.632 15.263 493 2HD PRO 68 3HD PRO 68 -28.530 17.555 16.568 494 H SER 69 HN SER 69 -29.884 15.906 11.977 495 HA SER 69 HA SER 69 -30.971 17.584 10.077 496 1HB SER 69 2HB SER 69 -29.251 19.208 10.816 497 2HB SER 69 3HB SER 69 -27.988 18.025 10.541 498 HG SER 69 HG SER 69 -29.751 19.123 8.519 499 H ARG 70 HN ARG 70 -31.370 15.086 9.940 500 HA ARG 70 HA ARG 70 -29.304 14.024 8.189 501 1HB ARG 70 2HB ARG 70 -30.036 11.710 9.077 502 2HB ARG 70 3HB ARG 70 -29.104 12.701 10.182 503 1HG ARG 70 2HG ARG 70 -31.973 13.280 10.417 504 2HG ARG 70 3HG ARG 70 -31.656 11.573 10.656 505 1HD ARG 70 2HD ARG 70 -29.746 12.330 12.266 506 2HD ARG 70 3HD ARG 70 -30.480 13.920 12.202 507 HE ARG 70 HE ARG 70 -32.496 11.936 12.770 508 1HH1 ARG 70 2HH2 ARG 70 -29.809 13.644 14.268 509 2HH1 ARG 70 1HH2 ARG 70 -30.450 13.508 15.872 510 1HH2 ARG 70 2HH1 ARG 70 -33.342 11.756 14.885 511 2HH2 ARG 70 1HH1 ARG 70 -32.473 12.426 16.225 512 HA PRO 71 HA PRO 71 -32.958 13.875 5.693 513 1HB PRO 71 2HB PRO 71 -31.703 13.550 3.287 514 2HB PRO 71 3HB PRO 71 -32.010 15.120 4.004 515 1HG PRO 71 2HG PRO 71 -29.463 13.631 3.823 516 2HG PRO 71 3HG PRO 71 -29.718 15.336 4.137 517 1HD PRO 71 2HD PRO 71 -29.038 13.320 6.061 518 2HD PRO 71 3HD PRO 71 -29.407 15.001 6.390 519 H TRP 72 HN TRP 72 -34.340 12.229 5.624 520 HA TRP 72 HA TRP 72 -35.014 10.194 4.881 521 1HB TRP 72 2HB TRP 72 -32.188 9.215 4.609 522 2HB TRP 72 3HB TRP 72 -33.645 8.619 3.837 523 HD1 TRP 72 HD1 TRP 72 -30.705 10.262 2.737 524 HE1 TRP 72 HE1 TRP 72 -30.978 11.854 0.650 525 HE3 TRP 72 HE3 TRP 72 -35.761 10.695 3.066 526 HZ2 TRP 72 HZ2 TRP 72 -33.227 13.088 -0.601 527 HZ3 TRP 72 HZ3 TRP 72 -36.918 12.112 1.373 528 HH2 TRP 72 HH2 TRP 72 -35.734 13.286 -0.415 529 H GLY 73 HN GLY 73 -32.209 10.642 7.073 530 1HA GLY 73 1HA GLY 73 -32.386 10.192 9.372 531 2HA GLY 73 2HA GLY 73 -33.580 8.951 9.049 532 H LYS 74 HN LYS 74 -30.158 9.737 8.076 533 HA LYS 74 HA LYS 74 -29.010 7.541 9.259 534 1HB LYS 74 2HB LYS 74 -28.616 6.134 7.143 535 2HB LYS 74 3HB LYS 74 -30.149 5.969 7.976 536 1HG LYS 74 2HG LYS 74 -31.201 7.572 6.374 537 2HG LYS 74 3HG LYS 74 -29.667 7.760 5.547 538 1HD LYS 74 2HD LYS 74 -29.788 5.095 5.369 539 2HD LYS 74 3HD LYS 74 -31.503 5.358 5.614 540 1HE LYS 74 2HE LYS 74 -30.229 7.159 3.598 541 2HE LYS 74 3HE LYS 74 -30.259 5.462 3.159 542 1HZ LYS 74 1HZ LYS 74 -32.276 7.024 2.715 543 2HZ LYS 74 2HZ LYS 74 -32.500 5.451 3.090 544 3HZ LYS 74 3HZ LYS 74 -32.694 6.599 4.235 545 H ASP 75 HN ASP 75 -28.292 10.132 9.171 546 HA ASP 75 HA ASP 75 -26.057 10.069 7.300 547 1HB ASP 75 2HB ASP 75 -28.115 11.872 7.159 548 2HB ASP 75 3HB ASP 75 -27.066 12.717 8.280 549 H ASN 76 HN ASN 76 -24.294 11.795 8.167 550 HA ASN 76 HA ASN 76 -24.371 12.050 11.025 551 1HB ASN 76 2HB ASN 76 -22.766 10.005 9.631 552 2HB ASN 76 3HB ASN 76 -21.743 11.092 10.548 553 1HD2 ASN 76 1HD2 ASN 76 -21.353 9.050 11.714 554 2HD2 ASN 76 2HD2 ASN 76 -22.375 8.635 13.049 555 H TYR 77 HN TYR 77 -22.970 13.802 11.715 556 HA TYR 77 HA TYR 77 -21.578 15.166 9.508 557 1HB TYR 77 2HB TYR 77 -23.738 15.908 11.278 558 2HB TYR 77 3HB TYR 77 -22.334 16.779 11.863 559 HD1 TYR 77 HD1 TYR 77 -20.925 17.296 9.249 560 HD2 TYR 77 HD2 TYR 77 -25.050 17.624 10.337 561 HE1 TYR 77 HE1 TYR 77 -21.269 19.054 7.444 562 HE2 TYR 77 HE2 TYR 77 -25.379 19.380 8.529 563 HH TYR 77 HH TYR 77 -24.152 19.881 6.262 564 H TRP 78 HN TRP 78 -19.421 15.487 9.777 565 HA TRP 78 HA TRP 78 -18.388 15.166 12.513 566 1HB TRP 78 2HB TRP 78 -17.192 14.349 9.864 567 2HB TRP 78 3HB TRP 78 -16.272 14.431 11.353 568 HD1 TRP 78 HD1 TRP 78 -19.872 13.033 11.378 569 HE1 TRP 78 HE1 TRP 78 -19.892 10.466 11.990 570 HE3 TRP 78 HE3 TRP 78 -14.824 12.427 11.258 571 HZ2 TRP 78 HZ2 TRP 78 -17.841 8.514 12.347 572 HZ3 TRP 78 HZ3 TRP 78 -13.915 10.158 11.750 573 HH2 TRP 78 HH2 TRP 78 -15.335 8.241 12.280 574 H MET 79 HN MET 79 -16.787 16.691 13.188 575 HA MET 79 HA MET 79 -16.518 18.946 11.352 576 1HB MET 79 2HB MET 79 -17.920 19.675 13.183 577 2HB MET 79 3HB MET 79 -16.969 18.802 14.368 578 1HG MET 79 2HG MET 79 -15.429 20.496 14.573 579 2HG MET 79 3HG MET 79 -15.394 20.810 12.849 580 1HE MET 79 1HE MET 79 -16.138 23.068 12.014 581 2HE MET 79 2HE MET 79 -16.636 24.275 13.223 582 3HE MET 79 3HE MET 79 -15.156 23.319 13.476 583 H LEU 80 HN LEU 80 -14.452 18.854 10.549 584 HA LEU 80 HA LEU 80 -12.324 18.366 12.516 585 1HB LEU 80 2HB LEU 80 -11.029 17.320 10.770 586 2HB LEU 80 3HB LEU 80 -12.549 16.483 11.016 587 HG LEU 80 HG LEU 80 -12.714 18.509 8.907 588 1HD1 LEU 80 1HD1 LEU 80 -11.400 16.641 7.425 589 2HD1 LEU 80 2HD1 LEU 80 -10.684 18.160 8.015 590 3HD1 LEU 80 3HD1 LEU 80 -10.428 16.647 8.917 591 1HD2 LEU 80 1HD2 LEU 80 -13.154 15.584 8.476 592 2HD2 LEU 80 2HD2 LEU 80 -14.235 16.460 9.586 593 3HD2 LEU 80 3HD2 LEU 80 -14.084 16.984 7.892 594 H ASN 81 HN ASN 81 -10.338 19.586 12.195 595 HA ASN 81 HA ASN 81 -10.325 21.612 10.219 596 1HB ASN 81 2HB ASN 81 -10.413 23.556 11.694 597 2HB ASN 81 3HB ASN 81 -11.847 22.599 12.007 598 1HD2 ASN 81 1HD2 ASN 81 -12.320 22.228 14.027 599 2HD2 ASN 81 2HD2 ASN 81 -11.236 22.211 15.378 600 HA PRO 82 HA PRO 82 -6.090 21.270 11.304 601 1HB PRO 82 2HB PRO 82 -5.032 23.634 10.430 602 2HB PRO 82 3HB PRO 82 -5.398 22.294 9.361 603 1HG PRO 82 2HG PRO 82 -6.872 24.830 9.726 604 2HG PRO 82 3HG PRO 82 -6.962 23.690 8.398 605 1HD PRO 82 2HD PRO 82 -8.866 24.007 10.520 606 2HD PRO 82 3HD PRO 82 -8.895 22.791 9.258 Start of MODEL 2 1 H TYR 8 HN TYR 8 13.507 -11.235 -6.022 2 HA TYR 8 HA TYR 8 15.423 -9.324 -6.971 3 1HB TYR 8 2HB TYR 8 14.855 -11.146 -4.617 4 2HB TYR 8 3HB TYR 8 16.534 -10.689 -4.828 5 HD1 TYR 8 HD1 TYR 8 13.191 -8.964 -4.951 6 HD2 TYR 8 HD2 TYR 8 17.233 -8.894 -3.549 7 HE1 TYR 8 HE1 TYR 8 12.748 -6.762 -3.759 8 HE2 TYR 8 HE2 TYR 8 16.776 -6.693 -2.362 9 HH TYR 8 HH TYR 8 15.129 -4.766 -2.718 10 H ILE 9 HN ILE 9 15.176 -12.907 -6.668 11 HA ILE 9 HA ILE 9 17.856 -13.397 -7.372 12 HB ILE 9 HB ILE 9 17.105 -15.695 -7.695 13 1HG1 ILE 9 2HG1 ILE 9 14.287 -14.957 -6.994 14 2HG1 ILE 9 3HG1 ILE 9 14.806 -14.798 -8.660 15 1HG2 ILE 9 1HG2 ILE 9 17.390 -14.455 -5.390 16 2HG2 ILE 9 2HG2 ILE 9 15.644 -14.769 -5.252 17 3HG2 ILE 9 3HG2 ILE 9 16.778 -16.125 -5.467 18 1HD1 ILE 9 1HD1 ILE 9 14.249 -17.230 -7.108 19 2HD1 ILE 9 2HD1 ILE 9 14.369 -17.017 -8.871 20 3HD1 ILE 9 3HD1 ILE 9 15.839 -17.295 -7.906 21 H ALA 10 HN ALA 10 14.875 -12.767 -9.212 22 HA ALA 10 HA ALA 10 15.966 -13.651 -11.692 23 1HB ALA 10 1HB ALA 10 13.894 -12.068 -12.396 24 2HB ALA 10 2HB ALA 10 13.676 -13.722 -11.776 25 3HB ALA 10 3HB ALA 10 13.484 -12.330 -10.684 26 H LEU 11 HN LEU 11 15.232 -10.389 -10.258 27 HA LEU 11 HA LEU 11 16.358 -8.920 -12.315 28 1HB LEU 11 2HB LEU 11 16.095 -7.087 -10.951 29 2HB LEU 11 3HB LEU 11 14.872 -8.201 -10.372 30 HG LEU 11 HG LEU 11 16.671 -8.884 -8.605 31 1HD1 LEU 11 1HD1 LEU 11 18.514 -7.642 -8.314 32 2HD1 LEU 11 2HD1 LEU 11 18.252 -7.157 -10.006 33 3HD1 LEU 11 3HD1 LEU 11 17.674 -6.117 -8.682 34 1HD2 LEU 11 1HD2 LEU 11 14.496 -7.709 -8.207 35 2HD2 LEU 11 2HD2 LEU 11 15.789 -7.291 -7.057 36 3HD2 LEU 11 3HD2 LEU 11 15.364 -6.164 -8.368 37 H ILE 12 HN ILE 12 17.831 -10.756 -9.677 38 HA ILE 12 HA ILE 12 20.353 -9.453 -9.844 39 HB ILE 12 HB ILE 12 19.259 -11.897 -8.511 40 1HG1 ILE 12 2HG1 ILE 12 19.096 -9.465 -7.648 41 2HG1 ILE 12 3HG1 ILE 12 19.585 -10.729 -6.537 42 1HG2 ILE 12 1HG2 ILE 12 22.195 -11.198 -8.759 43 2HG2 ILE 12 2HG2 ILE 12 21.520 -12.330 -7.563 44 3HG2 ILE 12 3HG2 ILE 12 21.384 -12.687 -9.302 45 1HD1 ILE 12 1HD1 ILE 12 21.102 -8.867 -6.227 46 2HD1 ILE 12 2HD1 ILE 12 22.011 -10.150 -7.061 47 3HD1 ILE 12 3HD1 ILE 12 21.404 -8.751 -7.978 48 H THR 13 HN THR 13 18.985 -12.562 -11.108 49 HA THR 13 HA THR 13 21.260 -13.488 -12.362 50 HB THR 13 HB THR 13 18.274 -13.722 -12.971 51 HG1 THR 13 HG1 THR 13 20.402 -15.412 -11.854 52 1HG2 THR 13 1HG2 THR 13 20.542 -14.592 -14.599 53 2HG2 THR 13 2HG2 THR 13 19.714 -16.003 -13.896 54 3HG2 THR 13 3HG2 THR 13 18.804 -14.842 -14.892 55 H MET 14 HN MET 14 18.786 -11.169 -13.598 56 HA MET 14 HA MET 14 20.069 -10.971 -16.097 57 1HB MET 14 2HB MET 14 18.460 -9.082 -16.427 58 2HB MET 14 3HB MET 14 17.647 -10.468 -15.730 59 1HG MET 14 2HG MET 14 17.805 -9.469 -13.466 60 2HG MET 14 3HG MET 14 18.726 -8.119 -14.097 61 1HE MET 14 1HE MET 14 15.866 -5.822 -13.938 62 2HE MET 14 2HE MET 14 17.295 -6.488 -13.111 63 3HE MET 14 3HE MET 14 17.445 -5.837 -14.761 64 H ALA 15 HN ALA 15 20.375 -9.329 -12.962 65 HA ALA 15 HA ALA 15 21.703 -7.031 -13.912 66 1HB ALA 15 1HB ALA 15 20.572 -7.233 -11.707 67 2HB ALA 15 2HB ALA 15 21.816 -8.397 -11.192 68 3HB ALA 15 3HB ALA 15 22.266 -6.712 -11.546 69 H ILE 16 HN ILE 16 22.808 -10.250 -12.691 70 HA ILE 16 HA ILE 16 25.557 -9.560 -12.971 71 HB ILE 16 HB ILE 16 24.248 -12.263 -12.656 72 1HG1 ILE 16 2HG1 ILE 16 23.631 -10.549 -10.905 73 2HG1 ILE 16 3HG1 ILE 16 24.388 -12.015 -10.314 74 1HG2 ILE 16 1HG2 ILE 16 26.844 -11.992 -11.443 75 2HG2 ILE 16 2HG2 ILE 16 26.281 -13.148 -12.674 76 3HG2 ILE 16 3HG2 ILE 16 26.929 -11.565 -13.169 77 1HD1 ILE 16 1HD1 ILE 16 26.139 -10.860 -9.450 78 2HD1 ILE 16 2HD1 ILE 16 26.411 -10.007 -10.988 79 3HD1 ILE 16 3HD1 ILE 16 25.231 -9.373 -9.816 80 H ARG 17 HN ARG 17 23.010 -10.902 -15.036 81 HA ARG 17 HA ARG 17 24.504 -12.219 -16.869 82 1HB ARG 17 2HB ARG 17 21.861 -11.536 -16.637 83 2HB ARG 17 3HB ARG 17 22.318 -10.460 -17.943 84 1HG ARG 17 2HG ARG 17 22.447 -12.170 -19.441 85 2HG ARG 17 3HG ARG 17 23.434 -13.139 -18.366 86 1HD ARG 17 2HD ARG 17 21.449 -14.423 -18.599 87 2HD ARG 17 3HD ARG 17 21.235 -13.625 -17.053 88 HE ARG 17 HE ARG 17 19.433 -12.442 -17.954 89 1HH1 ARG 17 2HH2 ARG 17 21.437 -13.633 -20.589 90 2HH1 ARG 17 1HH2 ARG 17 20.344 -13.111 -21.827 91 1HH2 ARG 17 2HH1 ARG 17 17.990 -11.753 -19.586 92 2HH2 ARG 17 1HH1 ARG 17 18.370 -12.034 -21.252 93 H ASP 18 HN ASP 18 24.547 -8.846 -16.073 94 HA ASP 18 HA ASP 18 24.996 -7.600 -18.421 95 1HB ASP 18 2HB ASP 18 24.893 -6.415 -16.279 96 2HB ASP 18 3HB ASP 18 26.351 -7.208 -15.715 97 H SER 19 HN SER 19 27.107 -9.774 -16.528 98 HA SER 19 HA SER 19 29.401 -9.126 -18.117 99 1HB SER 19 2HB SER 19 30.621 -10.561 -16.644 100 2HB SER 19 3HB SER 19 29.464 -9.717 -15.633 101 HG SER 19 HG SER 19 28.659 -11.607 -15.061 102 H ALA 20 HN ALA 20 30.206 -12.141 -17.831 103 HA ALA 20 HA ALA 20 28.418 -13.559 -19.513 104 1HB ALA 20 1HB ALA 20 30.994 -13.149 -20.940 105 2HB ALA 20 2HB ALA 20 29.343 -13.311 -21.583 106 3HB ALA 20 3HB ALA 20 29.893 -11.751 -20.924 107 H GLY 21 HN GLY 21 29.813 -13.773 -16.921 108 1HA GLY 21 1HA GLY 21 30.611 -15.592 -15.801 109 2HA GLY 21 2HA GLY 21 30.931 -16.407 -17.319 110 H GLY 22 HN GLY 22 32.040 -13.137 -16.227 111 1HA GLY 22 1HA GLY 22 34.791 -14.167 -16.063 112 2HA GLY 22 2HA GLY 22 34.430 -12.851 -17.163 113 H ARG 23 HN ARG 23 33.074 -10.961 -16.096 114 HA ARG 23 HA ARG 23 33.483 -10.677 -13.309 115 1HB ARG 23 2HB ARG 23 34.964 -8.692 -13.425 116 2HB ARG 23 3HB ARG 23 35.757 -10.081 -14.139 117 1HG ARG 23 2HG ARG 23 34.280 -8.839 -16.250 118 2HG ARG 23 3HG ARG 23 35.068 -7.539 -15.378 119 1HD ARG 23 2HD ARG 23 37.252 -8.446 -15.749 120 2HD ARG 23 3HD ARG 23 36.626 -10.032 -16.151 121 HE ARG 23 HE ARG 23 35.515 -8.302 -18.064 122 1HH1 ARG 23 2HH2 ARG 23 38.753 -9.242 -17.057 123 2HH1 ARG 23 1HH2 ARG 23 39.452 -8.985 -18.621 124 1HH2 ARG 23 2HH1 ARG 23 36.436 -7.963 -20.127 125 2HH2 ARG 23 1HH1 ARG 23 38.125 -8.253 -20.379 126 H LEU 24 HN LEU 24 32.462 -8.619 -12.498 127 HA LEU 24 HA LEU 24 31.019 -7.069 -14.460 128 1HB LEU 24 2HB LEU 24 28.949 -7.805 -14.107 129 2HB LEU 24 3HB LEU 24 29.756 -9.286 -13.633 130 HG LEU 24 HG LEU 24 29.419 -7.384 -11.416 131 1HD1 LEU 24 1HD1 LEU 24 26.920 -8.121 -11.252 132 2HD1 LEU 24 2HD1 LEU 24 27.373 -6.714 -12.243 133 3HD1 LEU 24 3HD1 LEU 24 27.047 -8.282 -13.020 134 1HD2 LEU 24 1HD2 LEU 24 30.090 -9.921 -11.489 135 2HD2 LEU 24 2HD2 LEU 24 29.098 -9.279 -10.157 136 3HD2 LEU 24 3HD2 LEU 24 28.328 -10.173 -11.490 137 H THR 25 HN THR 25 29.620 -5.351 -13.152 138 HA THR 25 HA THR 25 31.185 -4.587 -10.776 139 HB THR 25 HB THR 25 31.173 -2.287 -11.611 140 HG1 THR 25 HG1 THR 25 28.994 -2.559 -12.592 141 1HG2 THR 25 1HG2 THR 25 32.898 -2.753 -13.032 142 2HG2 THR 25 2HG2 THR 25 32.334 -4.435 -13.178 143 3HG2 THR 25 3HG2 THR 25 31.716 -3.189 -14.289 144 H LEU 26 HN LEU 26 29.926 -4.803 -9.037 145 HA LEU 26 HA LEU 26 27.133 -4.896 -9.196 146 1HB LEU 26 2HB LEU 26 29.207 -4.910 -7.094 147 2HB LEU 26 3HB LEU 26 27.627 -4.347 -6.587 148 HG LEU 26 HG LEU 26 27.870 -6.716 -6.142 149 1HD1 LEU 26 1HD1 LEU 26 25.710 -5.543 -7.315 150 2HD1 LEU 26 2HD1 LEU 26 25.990 -6.925 -8.402 151 3HD1 LEU 26 3HD1 LEU 26 25.741 -7.199 -6.661 152 1HD2 LEU 26 1HD2 LEU 26 28.106 -7.258 -9.101 153 2HD2 LEU 26 2HD2 LEU 26 29.531 -7.063 -8.051 154 3HD2 LEU 26 3HD2 LEU 26 28.364 -8.369 -7.734 155 H ALA 27 HN ALA 27 29.439 -2.251 -9.026 156 HA ALA 27 HA ALA 27 27.769 -0.320 -7.875 157 1HB ALA 27 1HB ALA 27 29.421 1.229 -8.622 158 2HB ALA 27 2HB ALA 27 30.301 -0.279 -8.274 159 3HB ALA 27 3HB ALA 27 29.925 0.165 -9.956 160 H GLU 28 HN GLU 28 28.462 -1.167 -11.339 161 HA GLU 28 HA GLU 28 26.554 0.691 -12.264 162 1HB GLU 28 2HB GLU 28 27.691 -1.675 -13.804 163 2HB GLU 28 3HB GLU 28 27.066 -0.178 -14.466 164 1HG GLU 28 2HG GLU 28 28.922 1.048 -13.185 165 2HG GLU 28 3HG GLU 28 29.596 -0.522 -12.795 166 H ILE 29 HN ILE 29 26.556 -2.769 -11.398 167 HA ILE 29 HA ILE 29 24.195 -3.503 -12.677 168 HB ILE 29 HB ILE 29 26.083 -4.612 -10.851 169 1HG1 ILE 29 2HG1 ILE 29 25.311 -6.720 -11.818 170 2HG1 ILE 29 3HG1 ILE 29 23.889 -5.934 -12.474 171 1HG2 ILE 29 1HG2 ILE 29 24.465 -6.116 -9.613 172 2HG2 ILE 29 2HG2 ILE 29 24.570 -4.433 -9.042 173 3HG2 ILE 29 3HG2 ILE 29 23.190 -4.950 -10.041 174 1HD1 ILE 29 1HD1 ILE 29 25.052 -4.953 -14.197 175 2HD1 ILE 29 2HD1 ILE 29 26.483 -4.640 -13.185 176 3HD1 ILE 29 3HD1 ILE 29 26.215 -6.260 -13.871 177 H ASN 30 HN ASN 30 24.763 -2.338 -9.284 178 HA ASN 30 HA ASN 30 22.041 -2.319 -8.682 179 1HB ASN 30 2HB ASN 30 23.711 -2.359 -6.892 180 2HB ASN 30 3HB ASN 30 24.446 -0.875 -7.465 181 1HD2 ASN 30 1HD2 ASN 30 22.557 -2.124 -5.151 182 2HD2 ASN 30 2HD2 ASN 30 21.591 -0.760 -4.697 183 H GLU 31 HN GLU 31 24.309 -0.058 -10.231 184 HA GLU 31 HA GLU 31 22.977 2.306 -9.818 185 1HB GLU 31 2HB GLU 31 25.243 2.187 -10.754 186 2HB GLU 31 3HB GLU 31 24.651 1.382 -12.193 187 1HG GLU 31 2HG GLU 31 23.273 3.395 -12.754 188 2HG GLU 31 3HG GLU 31 23.862 4.201 -11.313 189 H TYR 32 HN TYR 32 22.633 -0.131 -12.479 190 HA TYR 32 HA TYR 32 20.498 1.358 -13.692 191 1HB TYR 32 2HB TYR 32 20.961 -0.189 -15.397 192 2HB TYR 32 3HB TYR 32 22.404 -0.507 -14.455 193 HD1 TYR 32 HD1 TYR 32 22.876 -2.709 -13.884 194 HD2 TYR 32 HD2 TYR 32 18.812 -1.594 -14.620 195 HE1 TYR 32 HE1 TYR 32 22.155 -5.131 -13.610 196 HE2 TYR 32 HE2 TYR 32 18.104 -4.020 -14.344 197 HH TYR 32 HH TYR 32 19.261 -6.083 -12.940 198 H LEU 33 HN LEU 33 20.859 -1.180 -11.260 199 HA LEU 33 HA LEU 33 18.374 -2.396 -11.518 200 1HB LEU 33 2HB LEU 33 20.602 -2.665 -9.933 201 2HB LEU 33 3HB LEU 33 19.396 -2.118 -8.785 202 HG LEU 33 HG LEU 33 17.922 -3.980 -9.407 203 1HD1 LEU 33 1HD1 LEU 33 19.437 -4.079 -11.745 204 2HD1 LEU 33 2HD1 LEU 33 19.856 -5.573 -10.872 205 3HD1 LEU 33 3HD1 LEU 33 18.154 -5.207 -11.245 206 1HD2 LEU 33 1HD2 LEU 33 18.955 -4.904 -7.667 207 2HD2 LEU 33 2HD2 LEU 33 19.967 -5.779 -8.840 208 3HD2 LEU 33 3HD2 LEU 33 20.532 -4.238 -8.153 209 H MET 34 HN MET 34 19.420 0.442 -9.522 210 HA MET 34 HA MET 34 16.738 0.857 -8.662 211 1HB MET 34 2HB MET 34 19.045 1.412 -7.475 212 2HB MET 34 3HB MET 34 19.033 2.861 -8.461 213 1HG MET 34 2HG MET 34 16.492 2.996 -7.478 214 2HG MET 34 3HG MET 34 17.244 2.107 -6.169 215 1HE MET 34 1HE MET 34 18.618 4.871 -8.661 216 2HE MET 34 2HE MET 34 16.991 5.380 -8.149 217 3HE MET 34 3HE MET 34 18.418 6.311 -7.634 218 H GLY 35 HN GLY 35 18.703 1.783 -11.392 219 1HA GLY 35 1HA GLY 35 17.307 4.236 -11.975 220 2HA GLY 35 2HA GLY 35 18.485 3.405 -12.971 221 H LYS 36 HN LYS 36 16.547 0.891 -12.225 222 HA LYS 36 HA LYS 36 14.777 1.429 -14.505 223 1HB LYS 36 2HB LYS 36 16.661 -0.572 -14.207 224 2HB LYS 36 3HB LYS 36 15.178 -1.378 -13.737 225 1HG LYS 36 2HG LYS 36 14.185 -1.102 -15.839 226 2HG LYS 36 3HG LYS 36 15.090 0.354 -16.200 227 1HD LYS 36 2HD LYS 36 17.043 -0.847 -16.814 228 2HD LYS 36 3HD LYS 36 16.563 -2.280 -15.927 229 1HE LYS 36 2HE LYS 36 14.578 -1.600 -17.984 230 2HE LYS 36 3HE LYS 36 16.172 -1.788 -18.687 231 1HZ LYS 36 1HZ LYS 36 15.667 -3.934 -18.595 232 2HZ LYS 36 2HZ LYS 36 16.054 -3.854 -17.010 233 3HZ LYS 36 3HZ LYS 36 14.492 -3.753 -17.475 234 H PHE 37 HN PHE 37 14.988 -0.413 -11.379 235 HA PHE 37 HA PHE 37 12.188 -0.735 -11.225 236 1HB PHE 37 2HB PHE 37 14.627 -0.966 -9.403 237 2HB PHE 37 3HB PHE 37 13.033 -1.134 -8.695 238 HD1 PHE 37 HD1 PHE 37 13.121 -3.404 -8.060 239 HD2 PHE 37 HD2 PHE 37 14.023 -2.318 -12.061 240 HE1 PHE 37 HE1 PHE 37 13.080 -5.824 -8.726 241 HE2 PHE 37 HE2 PHE 37 13.982 -4.738 -12.728 242 HZ PHE 37 HZ PHE 37 13.511 -6.462 -11.052 243 HA PRO 38 HA PRO 38 11.458 3.338 -9.732 244 1HB PRO 38 2HB PRO 38 8.739 3.297 -10.002 245 2HB PRO 38 3HB PRO 38 9.824 3.753 -11.300 246 1HG PRO 38 2HG PRO 38 8.313 1.237 -10.945 247 2HG PRO 38 3HG PRO 38 9.047 1.881 -12.400 248 1HD PRO 38 2HD PRO 38 10.063 -0.241 -10.760 249 2HD PRO 38 3HD PRO 38 10.853 0.481 -12.148 250 H PHE 39 HN PHE 39 9.833 0.458 -8.630 251 HA PHE 39 HA PHE 39 8.803 1.596 -6.291 252 1HB PHE 39 2HB PHE 39 9.811 -1.268 -6.758 253 2HB PHE 39 3HB PHE 39 8.507 -0.789 -5.691 254 HD1 PHE 39 HD1 PHE 39 6.357 0.047 -6.688 255 HD2 PHE 39 HD2 PHE 39 9.411 -1.714 -9.050 256 HE1 PHE 39 HE1 PHE 39 4.701 -0.352 -8.532 257 HE2 PHE 39 HE2 PHE 39 7.755 -2.113 -10.894 258 HZ PHE 39 HZ PHE 39 5.420 -1.427 -10.612 259 H PHE 40 HN PHE 40 12.006 0.292 -7.162 260 HA PHE 40 HA PHE 40 12.920 -0.016 -4.513 261 1HB PHE 40 2HB PHE 40 13.921 0.026 -7.343 262 2HB PHE 40 3HB PHE 40 15.134 0.485 -6.164 263 HD1 PHE 40 HD1 PHE 40 12.544 -1.869 -5.161 264 HD2 PHE 40 HD2 PHE 40 16.450 -1.494 -6.776 265 HE1 PHE 40 HE1 PHE 40 12.981 -4.291 -4.667 266 HE2 PHE 40 HE2 PHE 40 16.887 -3.916 -6.282 267 HZ PHE 40 HZ PHE 40 15.148 -5.286 -5.233 268 H ARG 41 HN ARG 41 13.132 2.643 -6.952 269 HA ARG 41 HA ARG 41 14.680 4.215 -5.158 270 1HB ARG 41 2HB ARG 41 14.687 5.875 -6.938 271 2HB ARG 41 3HB ARG 41 14.882 4.305 -7.692 272 1HG ARG 41 2HG ARG 41 12.484 4.233 -8.274 273 2HG ARG 41 3HG ARG 41 12.193 5.726 -7.404 274 1HD ARG 41 2HD ARG 41 14.315 5.789 -9.539 275 2HD ARG 41 3HD ARG 41 12.652 5.667 -10.077 276 HE ARG 41 HE ARG 41 13.904 7.979 -8.783 277 1HH1 ARG 41 2HH2 ARG 41 10.854 6.375 -9.492 278 2HH1 ARG 41 1HH2 ARG 41 9.911 7.820 -9.339 279 1HH2 ARG 41 2HH1 ARG 41 12.661 9.886 -8.581 280 2HH2 ARG 41 1HH1 ARG 41 10.946 9.830 -8.817 281 H GLY 42 HN GLY 42 11.590 3.268 -4.921 282 1HA GLY 42 1HA GLY 42 10.690 5.863 -3.843 283 2HA GLY 42 2HA GLY 42 9.649 4.915 -4.886 284 H SER 43 HN SER 43 11.909 3.247 -2.728 285 HA SER 43 HA SER 43 9.732 2.798 -0.858 286 1HB SER 43 2HB SER 43 11.422 0.657 -2.215 287 2HB SER 43 3HB SER 43 10.478 0.347 -0.772 288 HG SER 43 HG SER 43 9.582 0.961 -3.425 289 H TYR 44 HN TYR 44 13.011 1.302 -1.257 290 HA TYR 44 HA TYR 44 14.211 2.981 0.700 291 1HB TYR 44 2HB TYR 44 14.314 1.298 2.477 292 2HB TYR 44 3HB TYR 44 12.636 1.338 1.972 293 HD1 TYR 44 HD1 TYR 44 15.113 -0.823 2.928 294 HD2 TYR 44 HD2 TYR 44 12.277 -0.330 -0.236 295 HE1 TYR 44 HE1 TYR 44 15.188 -3.321 2.462 296 HE2 TYR 44 HE2 TYR 44 12.361 -2.829 -0.691 297 HH TYR 44 HH TYR 44 13.193 -4.983 1.236 298 H THR 45 HN THR 45 16.273 3.142 -0.012 299 HA THR 45 HA THR 45 17.329 1.004 -1.672 300 HB THR 45 HB THR 45 18.503 3.723 -0.889 301 HG1 THR 45 HG1 THR 45 16.829 4.364 -2.189 302 1HG2 THR 45 1HG2 THR 45 18.898 2.060 -3.423 303 2HG2 THR 45 2HG2 THR 45 19.806 3.507 -2.921 304 3HG2 THR 45 3HG2 THR 45 20.020 1.973 -2.044 305 H GLY 46 HN GLY 46 16.952 -0.122 0.735 306 1HA GLY 46 1HA GLY 46 19.693 -0.200 1.847 307 2HA GLY 46 2HA GLY 46 18.264 -0.232 2.860 308 H TRP 47 HN TRP 47 18.778 -1.848 -0.337 309 HA TRP 47 HA TRP 47 18.476 -4.415 1.070 310 1HB TRP 47 2HB TRP 47 17.515 -5.107 -1.257 311 2HB TRP 47 3HB TRP 47 16.500 -4.354 -0.044 312 HD1 TRP 47 HD1 TRP 47 15.108 -2.331 -0.938 313 HE1 TRP 47 HE1 TRP 47 15.141 -0.657 -2.978 314 HE3 TRP 47 HE3 TRP 47 19.508 -3.970 -2.890 315 HZ2 TRP 47 HZ2 TRP 47 16.962 -0.216 -5.130 316 HZ3 TRP 47 HZ3 TRP 47 20.343 -2.864 -4.962 317 HH2 TRP 47 HH2 TRP 47 19.146 -1.048 -6.077 318 H ARG 48 HN ARG 48 20.657 -2.371 -0.289 319 HA ARG 48 HA ARG 48 21.849 -3.730 -2.317 320 1HB ARG 48 2HB ARG 48 22.849 -1.837 -0.177 321 2HB ARG 48 3HB ARG 48 24.028 -2.600 -1.225 322 1HG ARG 48 2HG ARG 48 22.935 -1.694 -3.225 323 2HG ARG 48 3HG ARG 48 21.593 -1.087 -2.276 324 1HD ARG 48 2HD ARG 48 22.921 0.844 -2.545 325 2HD ARG 48 3HD ARG 48 23.416 0.279 -0.962 326 HE ARG 48 HE ARG 48 25.037 -0.874 -3.097 327 1HH1 ARG 48 2HH2 ARG 48 24.626 1.953 -1.041 328 2HH1 ARG 48 1HH2 ARG 48 26.282 2.445 -1.170 329 1HH2 ARG 48 2HH1 ARG 48 27.221 -0.224 -3.266 330 2HH2 ARG 48 1HH1 ARG 48 27.768 1.199 -2.444 331 H ASN 49 HN ASN 49 21.843 -4.362 1.171 332 HA ASN 49 HA ASN 49 24.114 -6.053 1.091 333 1HB ASN 49 2HB ASN 49 21.909 -5.556 3.148 334 2HB ASN 49 3HB ASN 49 23.175 -6.735 3.428 335 1HD2 ASN 49 1HD2 ASN 49 25.081 -6.109 4.173 336 2HD2 ASN 49 2HD2 ASN 49 25.618 -4.475 4.376 337 H SER 50 HN SER 50 20.531 -6.338 0.950 338 HA SER 50 HA SER 50 20.552 -9.157 1.172 339 1HB SER 50 2HB SER 50 18.367 -7.287 0.155 340 2HB SER 50 3HB SER 50 18.139 -8.966 0.601 341 HG SER 50 HG SER 50 18.420 -6.691 2.233 342 H VAL 51 HN VAL 51 20.475 -6.731 -1.476 343 HA VAL 51 HA VAL 51 19.933 -8.591 -3.531 344 HB VAL 51 HB VAL 51 19.939 -5.892 -3.278 345 1HG1 VAL 51 1HG1 VAL 51 21.644 -5.057 -4.944 346 2HG1 VAL 51 2HG1 VAL 51 22.307 -5.576 -3.376 347 3HG1 VAL 51 3HG1 VAL 51 22.455 -6.635 -4.798 348 1HG2 VAL 51 1HG2 VAL 51 18.898 -7.565 -5.009 349 2HG2 VAL 51 2HG2 VAL 51 19.109 -5.850 -5.440 350 3HG2 VAL 51 3HG2 VAL 51 20.271 -7.065 -6.026 351 H ARG 52 HN ARG 52 22.979 -7.016 -2.337 352 HA ARG 52 HA ARG 52 24.629 -8.305 -4.114 353 1HB ARG 52 2HB ARG 52 26.428 -7.492 -2.766 354 2HB ARG 52 3HB ARG 52 25.136 -6.340 -2.493 355 1HG ARG 52 2HG ARG 52 24.488 -7.600 -0.407 356 2HG ARG 52 3HG ARG 52 25.834 -8.691 -0.670 357 1HD ARG 52 2HD ARG 52 26.438 -5.738 -0.644 358 2HD ARG 52 3HD ARG 52 26.051 -6.492 0.890 359 HE ARG 52 HE ARG 52 28.012 -8.019 -0.651 360 1HH1 ARG 52 2HH2 ARG 52 27.590 -5.349 1.603 361 2HH1 ARG 52 1HH2 ARG 52 29.210 -5.438 2.210 362 1HH2 ARG 52 2HH1 ARG 52 30.149 -8.136 0.150 363 2HH2 ARG 52 1HH1 ARG 52 30.675 -7.034 1.378 364 H HIS 53 HN HIS 53 23.467 -9.221 -0.820 365 HA HIS 53 HA HIS 53 25.094 -11.402 -0.411 366 1HB HIS 53 2HB HIS 53 22.429 -10.500 0.576 367 2HB HIS 53 3HB HIS 53 22.863 -12.172 0.871 368 HD1 HIS 53 HD1 HIS 53 22.706 -9.524 2.893 369 HD2 HIS 53 HD2 HIS 53 26.065 -11.703 1.642 370 HE1 HIS 53 HE1 HIS 53 24.511 -9.127 4.652 371 H ASN 54 HN ASN 54 21.745 -11.328 -1.830 372 HA ASN 54 HA ASN 54 21.717 -14.016 -2.448 373 1HB ASN 54 2HB ASN 54 20.064 -11.678 -2.902 374 2HB ASN 54 3HB ASN 54 20.198 -12.540 -4.422 375 1HD2 ASN 54 1HD2 ASN 54 17.794 -12.368 -3.265 376 2HD2 ASN 54 2HD2 ASN 54 17.272 -13.884 -2.611 377 H LEU 55 HN LEU 55 23.048 -11.132 -4.076 378 HA LEU 55 HA LEU 55 23.268 -12.036 -6.663 379 1HB LEU 55 2HB LEU 55 23.794 -9.757 -5.544 380 2HB LEU 55 3HB LEU 55 25.407 -10.406 -5.330 381 HG LEU 55 HG LEU 55 24.777 -10.892 -8.029 382 1HD1 LEU 55 1HD1 LEU 55 24.473 -8.190 -8.411 383 2HD1 LEU 55 2HD1 LEU 55 23.185 -9.411 -8.549 384 3HD1 LEU 55 3HD1 LEU 55 23.394 -8.506 -7.031 385 1HD2 LEU 55 1HD2 LEU 55 26.988 -10.445 -7.497 386 2HD2 LEU 55 2HD2 LEU 55 26.478 -8.958 -8.332 387 3HD2 LEU 55 3HD2 LEU 55 26.579 -8.990 -6.555 388 H SER 56 HN SER 56 25.557 -12.483 -3.889 389 HA SER 56 HA SER 56 27.227 -14.127 -5.501 390 1HB SER 56 2HB SER 56 28.656 -13.346 -3.929 391 2HB SER 56 3HB SER 56 27.340 -12.834 -2.891 392 HG SER 56 HG SER 56 28.933 -15.114 -2.744 393 H LEU 57 HN LEU 57 24.542 -14.517 -3.207 394 HA LEU 57 HA LEU 57 25.014 -17.328 -2.850 395 1HB LEU 57 2HB LEU 57 23.448 -15.258 -1.634 396 2HB LEU 57 3HB LEU 57 22.394 -16.590 -2.065 397 HG LEU 57 HG LEU 57 24.714 -17.714 -0.849 398 1HD1 LEU 57 1HD1 LEU 57 23.965 -15.109 0.274 399 2HD1 LEU 57 2HD1 LEU 57 23.963 -16.435 1.462 400 3HD1 LEU 57 3HD1 LEU 57 25.430 -16.092 0.513 401 1HD2 LEU 57 1HD2 LEU 57 21.786 -17.615 -0.419 402 2HD2 LEU 57 2HD2 LEU 57 22.899 -19.002 -0.489 403 3HD2 LEU 57 3HD2 LEU 57 22.774 -18.037 1.001 404 H ASN 58 HN ASN 58 24.134 -15.569 -5.489 405 HA ASN 58 HA ASN 58 22.013 -17.376 -6.268 406 1HB ASN 58 2HB ASN 58 22.935 -14.658 -7.078 407 2HB ASN 58 3HB ASN 58 22.459 -15.668 -8.429 408 1HD2 ASN 58 1HD2 ASN 58 21.288 -15.542 -5.076 409 2HD2 ASN 58 2HD2 ASN 58 19.633 -15.172 -5.430 410 H ASP 59 HN ASP 59 24.401 -15.766 -8.429 411 HA ASP 59 HA ASP 59 24.799 -17.967 -9.991 412 1HB ASP 59 2HB ASP 59 25.792 -15.291 -9.790 413 2HB ASP 59 3HB ASP 59 27.204 -16.323 -9.898 414 H CYS 60 HN CYS 60 26.824 -16.587 -7.300 415 HA CYS 60 HA CYS 60 27.958 -17.766 -5.746 416 1HB CYS 60 2HB CYS 60 26.740 -19.892 -6.626 417 2HB CYS 60 3HB CYS 60 28.213 -20.188 -7.528 418 HG CYS 60 HG CYS 60 28.761 -19.168 -4.538 419 H PHE 61 HN PHE 61 29.186 -15.857 -6.928 420 HA PHE 61 HA PHE 61 31.557 -17.008 -8.225 421 1HB PHE 61 2HB PHE 61 31.573 -14.402 -9.000 422 2HB PHE 61 3HB PHE 61 30.647 -15.598 -9.885 423 HD1 PHE 61 HD1 PHE 61 28.607 -14.787 -10.556 424 HD2 PHE 61 HD2 PHE 61 30.077 -13.649 -6.741 425 HE1 PHE 61 HE1 PHE 61 26.511 -13.469 -10.141 426 HE2 PHE 61 HE2 PHE 61 27.981 -12.331 -6.327 427 HZ PHE 61 HZ PHE 61 26.223 -12.257 -8.032 428 H VAL 62 HN VAL 62 33.150 -14.661 -8.156 429 HA VAL 62 HA VAL 62 33.473 -14.322 -5.254 430 HB VAL 62 HB VAL 62 35.547 -14.476 -7.449 431 1HG1 VAL 62 1HG1 VAL 62 37.199 -14.343 -5.582 432 2HG1 VAL 62 2HG1 VAL 62 36.265 -12.845 -5.816 433 3HG1 VAL 62 3HG1 VAL 62 35.861 -13.946 -4.477 434 1HG2 VAL 62 1HG2 VAL 62 35.877 -16.635 -6.915 435 2HG2 VAL 62 2HG2 VAL 62 35.727 -16.324 -5.169 436 3HG2 VAL 62 3HG2 VAL 62 34.267 -16.546 -6.162 437 H LYS 63 HN LYS 63 34.473 -12.216 -4.606 438 HA LYS 63 HA LYS 63 33.729 -10.121 -6.528 439 1HB LYS 63 2HB LYS 63 32.743 -8.859 -4.858 440 2HB LYS 63 3HB LYS 63 32.253 -10.486 -4.430 441 1HG LYS 63 2HG LYS 63 33.156 -10.123 -2.379 442 2HG LYS 63 3HG LYS 63 34.734 -10.190 -3.138 443 1HD LYS 63 2HD LYS 63 34.863 -8.085 -2.153 444 2HD LYS 63 3HD LYS 63 34.233 -7.637 -3.726 445 1HE LYS 63 2HE LYS 63 32.432 -6.710 -2.707 446 2HE LYS 63 3HE LYS 63 31.947 -8.304 -2.164 447 1HZ LYS 63 1HZ LYS 63 32.689 -7.885 -0.127 448 2HZ LYS 63 2HZ LYS 63 34.056 -7.144 -0.624 449 3HZ LYS 63 3HZ LYS 63 32.654 -6.309 -0.552 450 H VAL 64 HN VAL 64 35.051 -8.181 -6.500 451 HA VAL 64 HA VAL 64 37.681 -8.657 -5.277 452 HB VAL 64 HB VAL 64 37.049 -7.431 -7.970 453 1HG1 VAL 64 1HG1 VAL 64 39.815 -8.093 -7.633 454 2HG1 VAL 64 2HG1 VAL 64 39.074 -6.502 -7.926 455 3HG1 VAL 64 3HG1 VAL 64 39.302 -7.083 -6.260 456 1HG2 VAL 64 1HG2 VAL 64 37.473 -9.412 -8.960 457 2HG2 VAL 64 2HG2 VAL 64 38.776 -9.821 -7.819 458 3HG2 VAL 64 3HG2 VAL 64 37.077 -10.099 -7.367 459 H LEU 65 HN LEU 65 37.944 -7.238 -3.636 460 HA LEU 65 HA LEU 65 36.659 -4.622 -3.924 461 1HB LEU 65 2HB LEU 65 36.693 -4.464 -1.557 462 2HB LEU 65 3HB LEU 65 36.000 -6.011 -2.004 463 HG LEU 65 HG LEU 65 38.641 -6.680 -1.654 464 1HD1 LEU 65 1HD1 LEU 65 38.237 -5.097 0.806 465 2HD1 LEU 65 2HD1 LEU 65 39.720 -5.450 -0.113 466 3HD1 LEU 65 3HD1 LEU 65 38.625 -4.156 -0.655 467 1HD2 LEU 65 1HD2 LEU 65 37.908 -7.942 0.150 468 2HD2 LEU 65 2HD2 LEU 65 36.736 -6.708 0.673 469 3HD2 LEU 65 3HD2 LEU 65 36.415 -7.680 -0.783 470 H ARG 66 HN ARG 66 37.925 -2.733 -3.008 471 HA ARG 66 HA ARG 66 39.627 -1.416 -3.267 472 1HB ARG 66 2HB ARG 66 40.369 -2.587 -1.209 473 2HB ARG 66 3HB ARG 66 41.151 -3.830 -2.165 474 1HG ARG 66 2HG ARG 66 43.008 -2.507 -1.835 475 2HG ARG 66 3HG ARG 66 42.386 -1.668 -3.242 476 1HD ARG 66 2HD ARG 66 41.045 -0.188 -1.579 477 2HD ARG 66 3HD ARG 66 42.035 -0.890 -0.315 478 HE ARG 66 HE ARG 66 43.604 0.158 -2.557 479 1HH1 ARG 66 2HH2 ARG 66 42.059 0.958 0.501 480 2HH1 ARG 66 1HH2 ARG 66 43.069 2.334 0.798 481 1HH2 ARG 66 2HH1 ARG 66 44.937 1.973 -2.166 482 2HH2 ARG 66 1HH1 ARG 66 44.717 2.915 -0.729 483 H ASP 67 HN ASP 67 39.831 -1.076 -5.516 484 HA ASP 67 HA ASP 67 41.468 -3.004 -6.939 485 1HB ASP 67 2HB ASP 67 40.623 -1.409 -8.920 486 2HB ASP 67 3HB ASP 67 39.614 -2.697 -8.292 487 HA PRO 68 HA PRO 68 44.625 0.024 -7.253 488 1HB PRO 68 2HB PRO 68 45.901 -0.697 -9.560 489 2HB PRO 68 3HB PRO 68 46.155 -1.512 -8.030 490 1HG PRO 68 2HG PRO 68 44.614 -2.423 -10.382 491 2HG PRO 68 3HG PRO 68 45.229 -3.367 -9.040 492 1HD PRO 68 2HD PRO 68 42.516 -2.533 -9.450 493 2HD PRO 68 3HD PRO 68 43.153 -3.377 -8.053 494 H SER 69 HN SER 69 43.055 -0.445 -10.381 495 HA SER 69 HA SER 69 42.169 2.173 -10.450 496 1HB SER 69 2HB SER 69 44.883 2.115 -10.988 497 2HB SER 69 3HB SER 69 44.211 2.002 -12.602 498 HG SER 69 HG SER 69 43.276 3.981 -10.723 499 H ARG 70 HN ARG 70 40.685 0.052 -10.862 500 HA ARG 70 HA ARG 70 39.898 0.280 -13.528 501 1HB ARG 70 2HB ARG 70 40.218 -2.157 -14.165 502 2HB ARG 70 3HB ARG 70 41.718 -1.258 -14.044 503 1HG ARG 70 2HG ARG 70 42.472 -2.528 -12.305 504 2HG ARG 70 3HG ARG 70 40.942 -2.430 -11.456 505 1HD ARG 70 2HD ARG 70 41.411 -4.774 -12.064 506 2HD ARG 70 3HD ARG 70 39.995 -4.210 -12.929 507 HE ARG 70 HE ARG 70 42.701 -4.649 -14.104 508 1HH1 ARG 70 2HH2 ARG 70 39.310 -3.822 -14.550 509 2HH1 ARG 70 1HH2 ARG 70 39.354 -4.029 -16.269 510 1HH2 ARG 70 2HH1 ARG 70 42.760 -4.922 -16.372 511 2HH2 ARG 70 1HH1 ARG 70 41.329 -4.659 -17.312 512 HA PRO 71 HA PRO 71 36.923 -1.229 -10.385 513 1HB PRO 71 2HB PRO 71 35.289 0.959 -10.288 514 2HB PRO 71 3HB PRO 71 36.598 0.690 -9.154 515 1HG PRO 71 2HG PRO 71 36.473 2.578 -11.425 516 2HG PRO 71 3HG PRO 71 37.561 2.584 -10.051 517 1HD PRO 71 2HD PRO 71 38.175 1.735 -12.721 518 2HD PRO 71 3HD PRO 71 39.224 1.633 -11.321 519 H TRP 72 HN TRP 72 36.861 -0.140 -13.561 520 HA TRP 72 HA TRP 72 35.451 -0.452 -15.250 521 1HB TRP 72 2HB TRP 72 35.806 -2.952 -13.880 522 2HB TRP 72 3HB TRP 72 34.199 -2.897 -14.579 523 HD1 TRP 72 HD1 TRP 72 37.380 -1.373 -16.236 524 HE1 TRP 72 HE1 TRP 72 37.829 -2.486 -18.586 525 HE3 TRP 72 HE3 TRP 72 33.658 -4.821 -15.902 526 HZ2 TRP 72 HZ2 TRP 72 36.605 -4.635 -20.010 527 HZ3 TRP 72 HZ3 TRP 72 33.352 -6.389 -17.816 528 HH2 TRP 72 HH2 TRP 72 34.752 -6.335 -19.819 529 H GLY 73 HN GLY 73 34.483 0.948 -12.732 530 1HA GLY 73 1HA GLY 73 31.765 1.254 -13.513 531 2HA GLY 73 2HA GLY 73 31.885 0.301 -12.047 532 H LYS 74 HN LYS 74 31.787 1.448 -10.170 533 HA LYS 74 HA LYS 74 33.337 3.814 -9.845 534 1HB LYS 74 2HB LYS 74 31.527 5.383 -9.469 535 2HB LYS 74 3HB LYS 74 31.462 4.768 -11.108 536 1HG LYS 74 2HG LYS 74 29.358 3.998 -10.773 537 2HG LYS 74 3HG LYS 74 29.908 2.992 -9.448 538 1HD LYS 74 2HD LYS 74 28.682 4.320 -8.072 539 2HD LYS 74 3HD LYS 74 29.900 5.556 -8.318 540 1HE LYS 74 2HE LYS 74 28.603 6.295 -10.400 541 2HE LYS 74 3HE LYS 74 27.335 5.180 -9.932 542 1HZ LYS 74 1HZ LYS 74 27.935 7.719 -8.870 543 2HZ LYS 74 2HZ LYS 74 26.596 6.807 -8.666 544 3HZ LYS 74 3HZ LYS 74 27.882 6.601 -7.682 545 H ASP 75 HN ASP 75 33.411 1.286 -8.640 546 HA ASP 75 HA ASP 75 33.204 2.036 -5.975 547 1HB ASP 75 2HB ASP 75 30.738 1.255 -6.916 548 2HB ASP 75 3HB ASP 75 31.377 -0.294 -6.403 549 H ASN 76 HN ASN 76 32.500 -1.048 -7.801 550 HA ASN 76 HA ASN 76 35.117 -1.967 -7.668 551 1HB ASN 76 2HB ASN 76 34.372 -3.994 -6.066 552 2HB ASN 76 3HB ASN 76 35.043 -2.521 -5.396 553 1HD2 ASN 76 1HD2 ASN 76 32.769 -4.696 -4.894 554 2HD2 ASN 76 2HD2 ASN 76 31.494 -3.763 -4.183 555 H TYR 77 HN TYR 77 35.099 -4.476 -8.264 556 HA TYR 77 HA TYR 77 32.594 -5.147 -9.642 557 1HB TYR 77 2HB TYR 77 34.318 -6.080 -11.411 558 2HB TYR 77 3HB TYR 77 34.086 -4.343 -11.376 559 HD1 TYR 77 HD1 TYR 77 35.780 -2.904 -10.130 560 HD2 TYR 77 HD2 TYR 77 36.448 -7.042 -10.989 561 HE1 TYR 77 HE1 TYR 77 38.275 -2.585 -9.760 562 HE2 TYR 77 HE2 TYR 77 38.941 -6.709 -10.616 563 HH TYR 77 HH TYR 77 40.418 -5.265 -9.523 564 H TRP 78 HN TRP 78 32.351 -7.479 -10.101 565 HA TRP 78 HA TRP 78 33.892 -9.073 -8.168 566 1HB TRP 78 2HB TRP 78 31.039 -9.432 -9.104 567 2HB TRP 78 3HB TRP 78 31.907 -10.534 -8.053 568 HD1 TRP 78 HD1 TRP 78 32.850 -7.099 -7.036 569 HE1 TRP 78 HE1 TRP 78 31.538 -6.232 -4.918 570 HE3 TRP 78 HE3 TRP 78 29.297 -10.736 -7.097 571 HZ2 TRP 78 HZ2 TRP 78 29.213 -7.143 -3.536 572 HZ3 TRP 78 HZ3 TRP 78 27.542 -10.674 -5.327 573 HH2 TRP 78 HH2 TRP 78 27.463 -8.958 -3.589 574 H MET 79 HN MET 79 34.158 -11.413 -8.878 575 HA MET 79 HA MET 79 34.363 -11.500 -11.790 576 1HB MET 79 2HB MET 79 36.613 -11.463 -10.934 577 2HB MET 79 3HB MET 79 36.203 -12.472 -9.562 578 1HG MET 79 2HG MET 79 36.171 -14.459 -10.855 579 2HG MET 79 3HG MET 79 35.895 -13.600 -12.357 580 1HE MET 79 1HE MET 79 38.811 -12.968 -13.945 581 2HE MET 79 2HE MET 79 37.220 -12.299 -13.510 582 3HE MET 79 3HE MET 79 38.706 -11.526 -12.907 583 H LEU 80 HN LEU 80 32.841 -12.873 -12.606 584 HA LEU 80 HA LEU 80 32.314 -15.313 -11.055 585 1HB LEU 80 2HB LEU 80 30.041 -15.257 -11.862 586 2HB LEU 80 3HB LEU 80 30.426 -13.808 -10.956 587 HG LEU 80 HG LEU 80 30.754 -13.644 -13.909 588 1HD1 LEU 80 1HD1 LEU 80 28.197 -14.368 -12.607 589 2HD1 LEU 80 2HD1 LEU 80 28.129 -13.012 -13.758 590 3HD1 LEU 80 3HD1 LEU 80 28.747 -14.596 -14.285 591 1HD2 LEU 80 1HD2 LEU 80 30.721 -11.862 -11.759 592 2HD2 LEU 80 2HD2 LEU 80 30.727 -11.462 -13.493 593 3HD2 LEU 80 3HD2 LEU 80 29.185 -11.580 -12.612 594 H ASN 81 HN ASN 81 31.874 -17.255 -12.320 595 HA ASN 81 HA ASN 81 32.337 -17.116 -15.120 596 1HB ASN 81 2HB ASN 81 34.369 -18.466 -15.186 597 2HB ASN 81 3HB ASN 81 34.686 -17.104 -14.130 598 1HD2 ASN 81 1HD2 ASN 81 34.884 -17.379 -11.934 599 2HD2 ASN 81 2HD2 ASN 81 35.086 -18.922 -11.173 600 HA PRO 82 HA PRO 82 30.065 -20.839 -14.656 601 1HB PRO 82 2HB PRO 82 30.506 -22.089 -17.046 602 2HB PRO 82 3HB PRO 82 29.351 -20.787 -16.845 603 1HG PRO 82 2HG PRO 82 32.021 -20.716 -18.111 604 2HG PRO 82 3HG PRO 82 30.700 -19.575 -18.270 605 1HD PRO 82 2HD PRO 82 33.078 -19.240 -16.701 606 2HD PRO 82 3HD PRO 82 31.705 -18.153 -16.769 Start of MODEL 3 1 H TYR 8 HN TYR 8 -3.625 7.883 -9.026 2 HA TYR 8 HA TYR 8 -5.057 9.504 -7.179 3 1HB TYR 8 2HB TYR 8 -2.540 9.491 -8.865 4 2HB TYR 8 3HB TYR 8 -3.091 11.072 -8.349 5 HD1 TYR 8 HD1 TYR 8 -1.980 11.886 -6.493 6 HD2 TYR 8 HD2 TYR 8 -2.766 7.687 -6.737 7 HE1 TYR 8 HE1 TYR 8 -0.855 11.537 -4.240 8 HE2 TYR 8 HE2 TYR 8 -1.638 7.353 -4.483 9 HH TYR 8 HH TYR 8 0.359 9.011 -3.207 10 H ILE 9 HN ILE 9 -4.325 9.707 -10.725 11 HA ILE 9 HA ILE 9 -5.486 12.163 -11.181 12 HB ILE 9 HB ILE 9 -5.889 11.103 -13.519 13 1HG1 ILE 9 2HG1 ILE 9 -3.869 9.066 -12.800 14 2HG1 ILE 9 3HG1 ILE 9 -5.481 8.753 -12.189 15 1HG2 ILE 9 1HG2 ILE 9 -4.110 12.672 -13.025 16 2HG2 ILE 9 2HG2 ILE 9 -3.131 11.378 -12.294 17 3HG2 ILE 9 3HG2 ILE 9 -3.489 11.347 -14.037 18 1HD1 ILE 9 1HD1 ILE 9 -4.535 8.955 -15.041 19 2HD1 ILE 9 2HD1 ILE 9 -5.651 7.784 -14.299 20 3HD1 ILE 9 3HD1 ILE 9 -6.210 9.432 -14.673 21 H ALA 10 HN ALA 10 -6.962 8.895 -10.935 22 HA ALA 10 HA ALA 10 -9.525 9.714 -11.769 23 1HB ALA 10 1HB ALA 10 -10.203 7.534 -11.034 24 2HB ALA 10 2HB ALA 10 -8.554 7.360 -11.681 25 3HB ALA 10 3HB ALA 10 -8.819 7.406 -9.922 26 H LEU 11 HN LEU 11 -8.010 9.236 -8.506 27 HA LEU 11 HA LEU 11 -10.235 9.899 -7.012 28 1HB LEU 11 2HB LEU 11 -8.865 9.650 -5.277 29 2HB LEU 11 3HB LEU 11 -7.743 9.054 -6.483 30 HG LEU 11 HG LEU 11 -6.966 11.549 -6.635 31 1HD1 LEU 11 1HD1 LEU 11 -7.382 12.975 -4.872 32 2HD1 LEU 11 2HD1 LEU 11 -8.958 12.170 -5.063 33 3HD1 LEU 11 3HD1 LEU 11 -7.848 11.658 -3.769 34 1HD2 LEU 11 1HD2 LEU 11 -5.138 10.771 -5.635 35 2HD2 LEU 11 2HD2 LEU 11 -5.976 10.592 -4.075 36 3HD2 LEU 11 3HD2 LEU 11 -6.060 9.289 -5.284 37 H ILE 12 HN ILE 12 -7.836 11.954 -8.695 38 HA ILE 12 HA ILE 12 -8.672 14.360 -7.478 39 HB ILE 12 HB ILE 12 -7.071 13.640 -9.912 40 1HG1 ILE 12 2HG1 ILE 12 -6.156 13.421 -7.563 41 2HG1 ILE 12 3HG1 ILE 12 -5.217 14.400 -8.672 42 1HG2 ILE 12 1HG2 ILE 12 -6.613 15.992 -10.314 43 2HG2 ILE 12 2HG2 ILE 12 -8.353 15.658 -10.486 44 3HG2 ILE 12 3HG2 ILE 12 -7.741 16.457 -9.018 45 1HD1 ILE 12 1HD1 ILE 12 -5.558 15.406 -6.350 46 2HD1 ILE 12 2HD1 ILE 12 -6.032 16.460 -7.703 47 3HD1 ILE 12 3HD1 ILE 12 -7.277 15.595 -6.770 48 H THR 13 HN THR 13 -9.535 12.663 -10.551 49 HA THR 13 HA THR 13 -11.188 14.599 -11.615 50 HB THR 13 HB THR 13 -11.385 11.542 -11.698 51 HG1 THR 13 HG1 THR 13 -10.188 13.566 -13.451 52 1HG2 THR 13 1HG2 THR 13 -12.929 13.670 -13.021 53 2HG2 THR 13 2HG2 THR 13 -12.015 12.699 -14.201 54 3HG2 THR 13 3HG2 THR 13 -13.163 11.908 -13.095 55 H MET 14 HN MET 14 -12.024 11.974 -9.271 56 HA MET 14 HA MET 14 -14.707 12.833 -9.146 57 1HB MET 14 2HB MET 14 -14.799 11.193 -7.232 58 2HB MET 14 3HB MET 14 -14.025 10.500 -8.643 59 1HG MET 14 2HG MET 14 -11.795 10.885 -7.693 60 2HG MET 14 3HG MET 14 -12.468 11.801 -6.359 61 1HE MET 14 1HE MET 14 -12.310 9.265 -3.806 62 2HE MET 14 2HE MET 14 -11.875 10.860 -4.464 63 3HE MET 14 3HE MET 14 -13.573 10.489 -4.078 64 H ALA 15 HN ALA 15 -11.708 13.738 -7.528 65 HA ALA 15 HA ALA 15 -12.890 14.822 -5.197 66 1HB ALA 15 1HB ALA 15 -10.508 14.118 -5.423 67 2HB ALA 15 2HB ALA 15 -10.239 15.470 -6.549 68 3HB ALA 15 3HB ALA 15 -10.674 15.797 -4.854 69 H ILE 16 HN ILE 16 -11.957 16.126 -8.430 70 HA ILE 16 HA ILE 16 -12.812 18.768 -7.688 71 HB ILE 16 HB ILE 16 -12.067 17.698 -10.408 72 1HG1 ILE 16 2HG1 ILE 16 -10.364 17.300 -8.516 73 2HG1 ILE 16 3HG1 ILE 16 -9.814 18.072 -9.989 74 1HG2 ILE 16 1HG2 ILE 16 -12.616 19.743 -11.077 75 2HG2 ILE 16 2HG2 ILE 16 -12.886 20.289 -9.405 76 3HG2 ILE 16 3HG2 ILE 16 -11.253 20.356 -10.110 77 1HD1 ILE 16 1HD1 ILE 16 -9.270 19.988 -8.896 78 2HD1 ILE 16 2HD1 ILE 16 -10.843 20.042 -8.064 79 3HD1 ILE 16 3HD1 ILE 16 -9.511 19.073 -7.389 80 H ARG 17 HN ARG 17 -14.200 15.839 -9.027 81 HA ARG 17 HA ARG 17 -16.194 16.887 -10.558 82 1HB ARG 17 2HB ARG 17 -15.518 14.406 -10.103 83 2HB ARG 17 3HB ARG 17 -16.586 14.486 -8.716 84 1HG ARG 17 2HG ARG 17 -18.014 15.589 -10.961 85 2HG ARG 17 3HG ARG 17 -17.278 14.092 -11.497 86 1HD ARG 17 2HD ARG 17 -19.090 13.079 -10.533 87 2HD ARG 17 3HD ARG 17 -18.246 13.335 -9.019 88 HE ARG 17 HE ARG 17 -19.906 14.860 -8.444 89 1HH1 ARG 17 2HH2 ARG 17 -19.683 14.740 -11.954 90 2HH1 ARG 17 1HH2 ARG 17 -20.987 15.852 -12.203 91 1HH2 ARG 17 2HH1 ARG 17 -21.627 16.328 -8.772 92 2HH2 ARG 17 1HH1 ARG 17 -22.100 16.762 -10.380 93 H ASP 18 HN ASP 18 -15.656 17.228 -7.167 94 HA ASP 18 HA ASP 18 -18.193 17.192 -6.148 95 1HB ASP 18 2HB ASP 18 -16.281 17.379 -4.680 96 2HB ASP 18 3HB ASP 18 -15.728 18.843 -5.467 97 H SER 19 HN SER 19 -16.396 19.641 -8.045 98 HA SER 19 HA SER 19 -18.355 21.659 -7.565 99 1HB SER 19 2HB SER 19 -16.958 23.082 -8.904 100 2HB SER 19 3HB SER 19 -15.879 22.097 -7.936 101 HG SER 19 HG SER 19 -14.978 21.510 -9.780 102 H ALA 20 HN ALA 20 -17.913 22.516 -10.559 103 HA ALA 20 HA ALA 20 -19.188 20.551 -12.130 104 1HB ALA 20 1HB ALA 20 -20.986 22.894 -11.461 105 2HB ALA 20 2HB ALA 20 -21.402 21.355 -12.253 106 3HB ALA 20 3HB ALA 20 -21.038 21.390 -10.511 107 H GLY 21 HN GLY 21 -16.856 22.336 -12.124 108 1HA GLY 21 1HA GLY 21 -15.753 23.395 -13.810 109 2HA GLY 21 2HA GLY 21 -17.231 23.469 -14.749 110 H GLY 22 HN GLY 22 -16.656 24.647 -11.375 111 1HA GLY 22 1HA GLY 22 -16.906 27.416 -12.349 112 2HA GLY 22 2HA GLY 22 -18.003 26.821 -11.119 113 H ARG 23 HN ARG 23 -16.850 25.652 -9.171 114 HA ARG 23 HA ARG 23 -14.202 26.521 -8.687 115 1HB ARG 23 2HB ARG 23 -14.618 28.034 -6.844 116 2HB ARG 23 3HB ARG 23 -15.615 28.591 -8.173 117 1HG ARG 23 2HG ARG 23 -17.583 27.394 -7.212 118 2HG ARG 23 3HG ARG 23 -16.590 26.801 -5.896 119 1HD ARG 23 2HD ARG 23 -16.049 29.371 -5.499 120 2HD ARG 23 3HD ARG 23 -17.500 29.642 -6.443 121 HE ARG 23 HE ARG 23 -18.131 27.681 -4.484 122 1HH1 ARG 23 2HH2 ARG 23 -17.228 31.079 -4.626 123 2HH1 ARG 23 1HH2 ARG 23 -18.061 31.494 -3.166 124 1HH2 ARG 23 2HH1 ARG 23 -19.230 28.227 -2.556 125 2HH2 ARG 23 1HH1 ARG 23 -19.207 29.861 -1.980 126 H LEU 24 HN LEU 24 -13.475 25.768 -6.414 127 HA LEU 24 HA LEU 24 -15.227 23.999 -5.021 128 1HB LEU 24 2HB LEU 24 -14.693 22.027 -5.852 129 2HB LEU 24 3HB LEU 24 -14.024 22.889 -7.223 130 HG LEU 24 HG LEU 24 -12.427 22.083 -4.777 131 1HD1 LEU 24 1HD1 LEU 24 -11.486 20.294 -6.163 132 2HD1 LEU 24 2HD1 LEU 24 -13.240 20.097 -5.937 133 3HD1 LEU 24 3HD1 LEU 24 -12.605 20.720 -7.479 134 1HD2 LEU 24 1HD2 LEU 24 -11.837 23.685 -7.174 135 2HD2 LEU 24 2HD2 LEU 24 -11.025 23.630 -5.591 136 3HD2 LEU 24 3HD2 LEU 24 -10.651 22.405 -6.827 137 H THR 25 HN THR 25 -13.874 22.835 -3.212 138 HA THR 25 HA THR 25 -11.753 24.706 -2.379 139 HB THR 25 HB THR 25 -12.660 24.610 -0.152 140 HG1 THR 25 HG1 THR 25 -14.537 22.964 0.055 141 1HG2 THR 25 1HG2 THR 25 -15.276 24.292 -1.635 142 2HG2 THR 25 2HG2 THR 25 -14.832 25.476 -0.382 143 3HG2 THR 25 3HG2 THR 25 -14.242 25.681 -2.048 144 H LEU 26 HN LEU 26 -9.813 23.781 -2.508 145 HA LEU 26 HA LEU 26 -9.492 21.000 -2.699 146 1HB LEU 26 2HB LEU 26 -7.790 23.403 -2.606 147 2HB LEU 26 3HB LEU 26 -7.029 21.939 -2.014 148 HG LEU 26 HG LEU 26 -6.511 22.230 -4.346 149 1HD1 LEU 26 1HD1 LEU 26 -8.476 20.050 -4.671 150 2HD1 LEU 26 2HD1 LEU 26 -6.708 20.055 -4.881 151 3HD1 LEU 26 3HD1 LEU 26 -7.410 19.913 -3.252 152 1HD2 LEU 26 1HD2 LEU 26 -8.610 23.609 -4.803 153 2HD2 LEU 26 2HD2 LEU 26 -8.062 22.506 -6.089 154 3HD2 LEU 26 3HD2 LEU 26 -9.440 22.054 -5.056 155 H ALA 27 HN ALA 27 -9.738 23.241 0.014 156 HA ALA 27 HA ALA 27 -8.420 21.690 1.935 157 1HB ALA 27 1HB ALA 27 -10.098 23.048 3.453 158 2HB ALA 27 2HB ALA 27 -8.816 23.899 2.559 159 3HB ALA 27 3HB ALA 27 -10.481 23.889 1.931 160 H GLU 28 HN GLU 28 -11.934 21.938 1.040 161 HA GLU 28 HA GLU 28 -12.639 19.876 2.812 162 1HB GLU 28 2HB GLU 28 -14.044 21.823 1.612 163 2HB GLU 28 3HB GLU 28 -14.352 20.563 0.432 164 1HG GLU 28 2HG GLU 28 -15.245 19.074 2.188 165 2HG GLU 28 3HG GLU 28 -14.825 20.234 3.432 166 H ILE 29 HN ILE 29 -11.684 20.051 -0.624 167 HA ILE 29 HA ILE 29 -12.577 17.551 -1.431 168 HB ILE 29 HB ILE 29 -10.895 19.668 -2.409 169 1HG1 ILE 29 2HG1 ILE 29 -11.686 18.643 -4.617 170 2HG1 ILE 29 3HG1 ILE 29 -12.566 17.476 -3.652 171 1HG2 ILE 29 1HG2 ILE 29 -9.921 16.850 -2.939 172 2HG2 ILE 29 2HG2 ILE 29 -9.479 18.271 -3.916 173 3HG2 ILE 29 3HG2 ILE 29 -9.017 18.192 -2.199 174 1HD1 ILE 29 1HD1 ILE 29 -13.675 19.410 -2.433 175 2HD1 ILE 29 2HD1 ILE 29 -12.893 20.508 -3.595 176 3HD1 ILE 29 3HD1 ILE 29 -14.077 19.307 -4.164 177 H ASN 30 HN ASN 30 -9.426 18.569 0.038 178 HA ASN 30 HA ASN 30 -8.380 15.982 -0.014 179 1HB ASN 30 2HB ASN 30 -7.547 18.613 0.806 180 2HB ASN 30 3HB ASN 30 -7.290 17.559 2.183 181 1HD2 ASN 30 1HD2 ASN 30 -5.234 17.061 2.242 182 2HD2 ASN 30 2HD2 ASN 30 -4.262 16.472 0.935 183 H GLU 31 HN GLU 31 -10.410 17.873 2.238 184 HA GLU 31 HA GLU 31 -10.017 16.444 4.540 185 1HB GLU 31 2HB GLU 31 -11.285 18.588 4.348 186 2HB GLU 31 3HB GLU 31 -12.596 17.741 3.552 187 1HG GLU 31 2HG GLU 31 -12.490 16.176 5.718 188 2HG GLU 31 3HG GLU 31 -11.700 17.566 6.435 189 H TYR 32 HN TYR 32 -12.454 15.922 1.900 190 HA TYR 32 HA TYR 32 -13.475 13.560 3.135 191 1HB TYR 32 2HB TYR 32 -15.049 13.904 1.436 192 2HB TYR 32 3HB TYR 32 -14.229 15.436 1.210 193 HD1 TYR 32 HD1 TYR 32 -13.856 11.851 0.145 194 HD2 TYR 32 HD2 TYR 32 -13.548 15.978 -0.940 195 HE1 TYR 32 HE1 TYR 32 -13.261 11.188 -2.236 196 HE2 TYR 32 HE2 TYR 32 -12.954 15.301 -3.317 197 HH TYR 32 HH TYR 32 -11.821 13.113 -4.335 198 H LEU 33 HN LEU 33 -10.891 14.348 0.830 199 HA LEU 33 HA LEU 33 -10.661 11.890 -0.429 200 1HB LEU 33 2HB LEU 33 -9.359 14.337 -0.442 201 2HB LEU 33 3HB LEU 33 -8.123 13.222 0.107 202 HG LEU 33 HG LEU 33 -8.467 11.827 -1.889 203 1HD1 LEU 33 1HD1 LEU 33 -10.501 11.922 -2.818 204 2HD1 LEU 33 2HD1 LEU 33 -10.808 13.571 -2.224 205 3HD1 LEU 33 3HD1 LEU 33 -9.861 13.323 -3.710 206 1HD2 LEU 33 1HD2 LEU 33 -6.836 13.050 -2.757 207 2HD2 LEU 33 2HD2 LEU 33 -8.042 14.179 -3.421 208 3HD2 LEU 33 3HD2 LEU 33 -7.356 14.460 -1.803 209 H MET 34 HN MET 34 -9.188 13.108 2.644 210 HA MET 34 HA MET 34 -7.918 10.606 3.089 211 1HB MET 34 2HB MET 34 -8.289 13.215 4.609 212 2HB MET 34 3HB MET 34 -7.674 11.820 5.473 213 1HG MET 34 2HG MET 34 -5.788 11.608 3.898 214 2HG MET 34 3HG MET 34 -6.441 12.881 2.886 215 1HE MET 34 1HE MET 34 -4.308 11.859 5.688 216 2HE MET 34 2HE MET 34 -3.414 12.750 4.434 217 3HE MET 34 3HE MET 34 -3.489 13.386 6.094 218 H GLY 35 HN GLY 35 -11.014 12.115 3.893 219 1HA GLY 35 1HA GLY 35 -11.639 10.386 6.092 220 2HA GLY 35 2HA GLY 35 -12.717 11.476 5.243 221 H LYS 36 HN LYS 36 -11.523 10.008 2.643 222 HA LYS 36 HA LYS 36 -13.532 7.880 2.759 223 1HB LYS 36 2HB LYS 36 -12.630 9.783 0.682 224 2HB LYS 36 3HB LYS 36 -12.885 8.145 0.117 225 1HG LYS 36 2HG LYS 36 -15.161 8.201 1.314 226 2HG LYS 36 3HG LYS 36 -14.896 9.914 1.578 227 1HD LYS 36 2HD LYS 36 -16.057 10.013 -0.434 228 2HD LYS 36 3HD LYS 36 -14.419 9.934 -1.051 229 1HE LYS 36 2HE LYS 36 -14.629 7.453 -1.304 230 2HE LYS 36 3HE LYS 36 -16.264 7.526 -0.677 231 1HZ LYS 36 1HZ LYS 36 -15.886 9.357 -2.793 232 2HZ LYS 36 2HZ LYS 36 -15.526 7.835 -3.264 233 3HZ LYS 36 3HZ LYS 36 -16.998 8.170 -2.640 234 H PHE 37 HN PHE 37 -10.245 8.584 1.371 235 HA PHE 37 HA PHE 37 -9.728 5.779 1.126 236 1HB PHE 37 2HB PHE 37 -8.115 8.380 0.832 237 2HB PHE 37 3HB PHE 37 -7.412 6.810 0.495 238 HD1 PHE 37 HD1 PHE 37 -8.883 5.329 -1.187 239 HD2 PHE 37 HD2 PHE 37 -8.966 9.565 -0.950 240 HE1 PHE 37 HE1 PHE 37 -9.753 5.444 -3.539 241 HE2 PHE 37 HE2 PHE 37 -9.836 9.680 -3.301 242 HZ PHE 37 HZ PHE 37 -10.219 7.618 -4.568 243 HA PRO 38 HA PRO 38 -8.174 5.593 5.235 244 1HB PRO 38 2HB PRO 38 -8.000 2.870 5.393 245 2HB PRO 38 3HB PRO 38 -9.462 3.760 5.768 246 1HG PRO 38 2HG PRO 38 -8.837 2.150 3.369 247 2HG PRO 38 3HG PRO 38 -10.399 2.683 3.957 248 1HD PRO 38 2HD PRO 38 -8.919 3.796 1.767 249 2HD PRO 38 3HD PRO 38 -10.425 4.400 2.429 250 H PHE 39 HN PHE 39 -6.795 3.813 2.551 251 HA PHE 39 HA PHE 39 -4.343 3.297 3.732 252 1HB PHE 39 2HB PHE 39 -4.975 4.037 0.814 253 2HB PHE 39 3HB PHE 39 -3.652 3.019 1.346 254 HD1 PHE 39 HD1 PHE 39 -7.019 3.083 0.222 255 HD2 PHE 39 HD2 PHE 39 -4.280 0.816 2.540 256 HE1 PHE 39 HE1 PHE 39 -8.473 1.054 -0.043 257 HE2 PHE 39 HE2 PHE 39 -5.734 -1.212 2.274 258 HZ PHE 39 HZ PHE 39 -7.813 -1.069 0.986 259 H PHE 40 HN PHE 40 -5.663 6.250 2.227 260 HA PHE 40 HA PHE 40 -3.121 7.516 2.003 261 1HB PHE 40 2HB PHE 40 -5.902 7.881 1.272 262 2HB PHE 40 3HB PHE 40 -5.443 9.298 2.195 263 HD1 PHE 40 HD1 PHE 40 -5.207 11.017 0.661 264 HD2 PHE 40 HD2 PHE 40 -3.450 7.253 -0.204 265 HE1 PHE 40 HE1 PHE 40 -4.118 11.994 -1.379 266 HE2 PHE 40 HE2 PHE 40 -2.361 8.229 -2.243 267 HZ PHE 40 HZ PHE 40 -2.708 10.588 -2.807 268 H ARG 41 HN ARG 41 -5.608 7.166 4.503 269 HA ARG 41 HA ARG 41 -4.593 9.387 5.977 270 1HB ARG 41 2HB ARG 41 -7.045 8.179 5.889 271 2HB ARG 41 3HB ARG 41 -6.380 7.354 7.285 272 1HG ARG 41 2HG ARG 41 -5.961 9.470 8.433 273 2HG ARG 41 3HG ARG 41 -6.353 10.391 6.995 274 1HD ARG 41 2HD ARG 41 -8.559 10.386 7.538 275 2HD ARG 41 3HD ARG 41 -8.582 8.635 7.585 276 HE ARG 41 HE ARG 41 -8.608 8.784 9.906 277 1HH1 ARG 41 2HH2 ARG 41 -7.016 11.653 8.634 278 2HH1 ARG 41 1HH2 ARG 41 -6.777 12.368 10.193 279 1HH2 ARG 41 2HH1 ARG 41 -8.293 9.727 11.964 280 2HH2 ARG 41 1HH1 ARG 41 -7.508 11.265 12.100 281 H GLY 42 HN GLY 42 -3.313 6.442 5.312 282 1HA GLY 42 1HA GLY 42 -1.928 6.305 7.897 283 2HA GLY 42 2HA GLY 42 -2.724 4.865 7.294 284 H SER 43 HN SER 43 -0.748 7.513 5.757 285 HA SER 43 HA SER 43 1.228 5.547 5.071 286 1HB SER 43 2HB SER 43 -0.353 7.084 2.967 287 2HB SER 43 3HB SER 43 1.177 6.299 2.628 288 HG SER 43 HG SER 43 -0.875 5.046 2.184 289 H TYR 44 HN TYR 44 0.273 8.831 3.821 290 HA TYR 44 HA TYR 44 2.098 10.241 5.414 291 1HB TYR 44 2HB TYR 44 3.883 10.564 3.771 292 2HB TYR 44 3HB TYR 44 3.594 8.836 3.803 293 HD1 TYR 44 HD1 TYR 44 4.266 11.424 1.660 294 HD2 TYR 44 HD2 TYR 44 1.494 8.193 2.088 295 HE1 TYR 44 HE1 TYR 44 3.848 11.440 -0.848 296 HE2 TYR 44 HE2 TYR 44 1.085 8.221 -0.421 297 HH TYR 44 HH TYR 44 2.883 9.241 -2.526 298 H THR 45 HN THR 45 1.066 12.163 5.565 299 HA THR 45 HA THR 45 -0.623 13.005 3.353 300 HB THR 45 HB THR 45 -1.574 13.082 5.602 301 HG1 THR 45 HG1 THR 45 -1.733 15.542 5.681 302 1HG2 THR 45 1HG2 THR 45 -0.098 13.389 7.341 303 2HG2 THR 45 2HG2 THR 45 1.108 14.160 6.283 304 3HG2 THR 45 3HG2 THR 45 -0.231 15.121 6.954 305 H GLY 46 HN GLY 46 1.844 13.010 2.331 306 1HA GLY 46 1HA GLY 46 2.591 15.873 2.396 307 2HA GLY 46 2HA GLY 46 3.773 14.582 2.318 308 H TRP 47 HN TRP 47 0.643 14.274 0.654 309 HA TRP 47 HA TRP 47 2.100 14.461 -1.888 310 1HB TRP 47 2HB TRP 47 -0.017 13.195 -2.687 311 2HB TRP 47 3HB TRP 47 1.270 12.337 -1.863 312 HD1 TRP 47 HD1 TRP 47 0.460 10.846 0.130 313 HE1 TRP 47 HE1 TRP 47 -1.672 10.590 1.663 314 HE3 TRP 47 HE3 TRP 47 -1.986 14.915 -1.691 315 HZ2 TRP 47 HZ2 TRP 47 -4.088 12.084 1.937 316 HZ3 TRP 47 HZ3 TRP 47 -4.227 15.447 -0.736 317 HH2 TRP 47 HH2 TRP 47 -5.279 14.107 1.016 318 H ARG 48 HN ARG 48 0.299 16.303 0.205 319 HA ARG 48 HA ARG 48 -1.801 17.259 -1.202 320 1HB ARG 48 2HB ARG 48 0.074 18.427 0.851 321 2HB ARG 48 3HB ARG 48 -1.018 19.537 0.046 322 1HG ARG 48 2HG ARG 48 -2.414 17.085 0.871 323 2HG ARG 48 3HG ARG 48 -1.629 17.856 2.235 324 1HD ARG 48 2HD ARG 48 -2.786 20.011 0.833 325 2HD ARG 48 3HD ARG 48 -3.983 18.739 0.697 326 HE ARG 48 HE ARG 48 -2.990 18.895 3.409 327 1HH1 ARG 48 2HH2 ARG 48 -5.136 20.516 1.139 328 2HH1 ARG 48 1HH2 ARG 48 -6.147 21.186 2.376 329 1HH2 ARG 48 2HH1 ARG 48 -4.323 19.780 5.041 330 2HH2 ARG 48 1HH1 ARG 48 -5.681 20.765 4.610 331 H ASN 49 HN ASN 49 1.676 17.835 -1.653 332 HA ASN 49 HA ASN 49 1.350 20.137 -3.242 333 1HB ASN 49 2HB ASN 49 3.793 19.498 -3.932 334 2HB ASN 49 3HB ASN 49 3.506 19.893 -2.249 335 1HD2 ASN 49 1HD2 ASN 49 3.319 18.231 -0.702 336 2HD2 ASN 49 2HD2 ASN 49 4.017 16.665 -0.948 337 H SER 50 HN SER 50 2.199 16.649 -3.883 338 HA SER 50 HA SER 50 2.226 16.909 -6.643 339 1HB SER 50 2HB SER 50 2.174 14.680 -4.661 340 2HB SER 50 3HB SER 50 1.592 14.263 -6.261 341 HG SER 50 HG SER 50 4.132 15.549 -5.718 342 H VAL 51 HN VAL 51 -0.359 16.079 -4.278 343 HA VAL 51 HA VAL 51 -2.283 15.268 -6.124 344 HB VAL 51 HB VAL 51 -2.201 16.213 -3.309 345 1HG1 VAL 51 1HG1 VAL 51 -4.124 17.385 -3.572 346 2HG1 VAL 51 2HG1 VAL 51 -4.553 16.556 -5.087 347 3HG1 VAL 51 3HG1 VAL 51 -4.865 15.768 -3.521 348 1HG2 VAL 51 1HG2 VAL 51 -3.481 14.073 -2.995 349 2HG2 VAL 51 2HG2 VAL 51 -3.331 13.792 -4.746 350 3HG2 VAL 51 3HG2 VAL 51 -1.872 13.872 -3.729 351 H ARG 52 HN ARG 52 -1.781 18.502 -4.537 352 HA ARG 52 HA ARG 52 -3.764 19.765 -5.941 353 1HB ARG 52 2HB ARG 52 -1.291 20.620 -4.458 354 2HB ARG 52 3HB ARG 52 -2.021 21.821 -5.505 355 1HG ARG 52 2HG ARG 52 -4.183 21.593 -4.353 356 2HG ARG 52 3HG ARG 52 -3.580 20.254 -3.397 357 1HD ARG 52 2HD ARG 52 -1.793 21.853 -2.470 358 2HD ARG 52 3HD ARG 52 -2.644 23.158 -3.273 359 HE ARG 52 HE ARG 52 -4.387 21.509 -1.591 360 1HH1 ARG 52 2HH2 ARG 52 -2.205 24.269 -1.646 361 2HH1 ARG 52 1HH2 ARG 52 -2.894 25.004 -0.237 362 1HH2 ARG 52 2HH1 ARG 52 -5.296 22.478 0.269 363 2HH2 ARG 52 1HH1 ARG 52 -4.664 23.978 0.860 364 H HIS 53 HN HIS 53 -0.294 19.192 -6.712 365 HA HIS 53 HA HIS 53 -0.096 20.885 -8.889 366 1HB HIS 53 2HB HIS 53 1.715 19.590 -7.613 367 2HB HIS 53 3HB HIS 53 1.318 18.226 -8.639 368 HD1 HIS 53 HD1 HIS 53 2.846 21.682 -8.759 369 HD2 HIS 53 HD2 HIS 53 2.237 18.393 -11.290 370 HE1 HIS 53 HE1 HIS 53 4.250 22.116 -10.844 371 H ASN 54 HN ASN 54 -0.824 17.320 -8.828 372 HA ASN 54 HA ASN 54 -1.298 17.147 -11.535 373 1HB ASN 54 2HB ASN 54 -1.335 15.412 -9.314 374 2HB ASN 54 3HB ASN 54 -2.991 15.359 -9.886 375 1HD2 ASN 54 1HD2 ASN 54 -3.450 14.701 -12.006 376 2HD2 ASN 54 2HD2 ASN 54 -2.355 13.732 -12.933 377 H LEU 55 HN LEU 55 -3.328 18.089 -8.737 378 HA LEU 55 HA LEU 55 -5.843 17.828 -9.815 379 1HB LEU 55 2HB LEU 55 -5.021 18.483 -7.457 380 2HB LEU 55 3HB LEU 55 -5.039 20.129 -8.057 381 HG LEU 55 HG LEU 55 -7.547 19.022 -8.755 382 1HD1 LEU 55 1HD1 LEU 55 -6.483 17.822 -6.318 383 2HD1 LEU 55 2HD1 LEU 55 -8.009 18.695 -6.044 384 3HD1 LEU 55 3HD1 LEU 55 -7.930 17.407 -7.269 385 1HD2 LEU 55 1HD2 LEU 55 -7.229 21.345 -8.284 386 2HD2 LEU 55 2HD2 LEU 55 -8.385 20.696 -7.097 387 3HD2 LEU 55 3HD2 LEU 55 -6.696 20.995 -6.622 388 H SER 56 HN SER 56 -3.531 20.607 -10.057 389 HA SER 56 HA SER 56 -5.333 21.986 -11.773 390 1HB SER 56 2HB SER 56 -4.111 23.626 -10.776 391 2HB SER 56 3HB SER 56 -2.800 22.533 -10.378 392 HG SER 56 HG SER 56 -2.375 24.346 -11.983 393 H LEU 57 HN LEU 57 -2.569 19.779 -12.052 394 HA LEU 57 HA LEU 57 -2.123 20.390 -14.824 395 1HB LEU 57 2HB LEU 57 -0.846 18.847 -12.703 396 2HB LEU 57 3HB LEU 57 -0.850 18.002 -14.238 397 HG LEU 57 HG LEU 57 0.212 19.979 -15.309 398 1HD1 LEU 57 1HD1 LEU 57 1.352 21.492 -13.403 399 2HD1 LEU 57 2HD1 LEU 57 -0.189 21.905 -14.194 400 3HD1 LEU 57 3HD1 LEU 57 -0.190 21.117 -12.597 401 1HD2 LEU 57 1HD2 LEU 57 2.066 18.814 -14.966 402 2HD2 LEU 57 2HD2 LEU 57 2.278 19.637 -13.402 403 3HD2 LEU 57 3HD2 LEU 57 1.381 18.102 -13.485 404 H ASN 58 HN ASN 58 -4.662 18.996 -13.264 405 HA ASN 58 HA ASN 58 -4.916 16.806 -15.134 406 1HB ASN 58 2HB ASN 58 -6.103 17.542 -12.492 407 2HB ASN 58 3HB ASN 58 -7.238 16.807 -13.606 408 1HD2 ASN 58 1HD2 ASN 58 -7.285 15.091 -12.034 409 2HD2 ASN 58 2HD2 ASN 58 -6.097 13.830 -12.071 410 H ASP 59 HN ASP 59 -7.602 18.715 -13.695 411 HA ASP 59 HA ASP 59 -9.031 18.871 -16.011 412 1HB ASP 59 2HB ASP 59 -9.164 19.934 -13.318 413 2HB ASP 59 3HB ASP 59 -9.596 21.214 -14.434 414 H CYS 60 HN CYS 60 -6.806 21.275 -14.438 415 HA CYS 60 HA CYS 60 -5.414 22.698 -15.492 416 1HB CYS 60 2HB CYS 60 -5.980 21.401 -17.694 417 2HB CYS 60 3HB CYS 60 -7.055 22.746 -18.019 418 HG CYS 60 HG CYS 60 -3.887 23.003 -17.090 419 H PHE 61 HN PHE 61 -6.917 23.643 -13.639 420 HA PHE 61 HA PHE 61 -8.506 25.807 -14.832 421 1HB PHE 61 2HB PHE 61 -9.501 25.612 -12.328 422 2HB PHE 61 3HB PHE 61 -10.076 24.539 -13.588 423 HD1 PHE 61 HD1 PHE 61 -7.083 24.586 -11.342 424 HD2 PHE 61 HD2 PHE 61 -10.397 22.396 -12.834 425 HE1 PHE 61 HE1 PHE 61 -6.390 22.602 -9.969 426 HE2 PHE 61 HE2 PHE 61 -9.704 20.412 -11.461 427 HZ PHE 61 HZ PHE 61 -7.709 20.539 -10.045 428 H VAL 62 HN VAL 62 -8.879 27.300 -12.447 429 HA VAL 62 HA VAL 62 -6.104 28.077 -11.865 430 HB VAL 62 HB VAL 62 -8.594 29.766 -12.170 431 1HG1 VAL 62 1HG1 VAL 62 -7.110 30.552 -10.328 432 2HG1 VAL 62 2HG1 VAL 62 -5.777 30.680 -11.501 433 3HG1 VAL 62 3HG1 VAL 62 -7.225 31.700 -11.683 434 1HG2 VAL 62 1HG2 VAL 62 -7.559 28.984 -14.288 435 2HG2 VAL 62 2HG2 VAL 62 -7.466 30.749 -14.082 436 3HG2 VAL 62 3HG2 VAL 62 -6.027 29.742 -13.792 437 H LYS 63 HN LYS 63 -5.701 28.917 -9.691 438 HA LYS 63 HA LYS 63 -7.705 27.936 -7.778 439 1HB LYS 63 2HB LYS 63 -5.793 27.418 -6.278 440 2HB LYS 63 3HB LYS 63 -5.828 26.446 -7.735 441 1HG LYS 63 2HG LYS 63 -4.320 28.837 -8.315 442 2HG LYS 63 3HG LYS 63 -3.728 28.191 -6.798 443 1HD LYS 63 2HD LYS 63 -4.138 26.412 -9.235 444 2HD LYS 63 3HD LYS 63 -2.646 27.296 -8.986 445 1HE LYS 63 2HE LYS 63 -3.306 25.991 -6.500 446 2HE LYS 63 3HE LYS 63 -3.472 24.805 -7.779 447 1HZ LYS 63 1HZ LYS 63 -1.201 26.069 -8.427 448 2HZ LYS 63 2HZ LYS 63 -1.120 26.067 -6.796 449 3HZ LYS 63 3HZ LYS 63 -1.283 24.659 -7.607 450 H VAL 64 HN VAL 64 -7.959 29.172 -5.814 451 HA VAL 64 HA VAL 64 -6.915 31.907 -6.087 452 HB VAL 64 HB VAL 64 -9.582 31.049 -4.950 453 1HG1 VAL 64 1HG1 VAL 64 -8.969 33.080 -3.918 454 2HG1 VAL 64 2HG1 VAL 64 -8.276 33.736 -5.420 455 3HG1 VAL 64 3HG1 VAL 64 -10.039 33.555 -5.259 456 1HG2 VAL 64 1HG2 VAL 64 -8.904 32.218 -7.669 457 2HG2 VAL 64 2HG2 VAL 64 -9.601 30.615 -7.328 458 3HG2 VAL 64 3HG2 VAL 64 -10.550 32.086 -7.003 459 H LEU 65 HN LEU 65 -5.112 31.620 -4.739 460 HA LEU 65 HA LEU 65 -5.828 31.133 -1.940 461 1HB LEU 65 2HB LEU 65 -3.629 29.968 -1.697 462 2HB LEU 65 3HB LEU 65 -4.875 29.092 -2.565 463 HG LEU 65 HG LEU 65 -3.687 30.118 -4.693 464 1HD1 LEU 65 1HD1 LEU 65 -1.887 30.849 -2.539 465 2HD1 LEU 65 2HD1 LEU 65 -1.081 29.813 -3.741 466 3HD1 LEU 65 3HD1 LEU 65 -1.871 31.323 -4.255 467 1HD2 LEU 65 1HD2 LEU 65 -3.947 27.735 -4.221 468 2HD2 LEU 65 2HD2 LEU 65 -2.327 28.092 -4.867 469 3HD2 LEU 65 3HD2 LEU 65 -2.544 27.788 -3.126 470 H ARG 66 HN ARG 66 -5.637 33.627 -3.457 471 HA ARG 66 HA ARG 66 -3.612 34.815 -1.807 472 1HB ARG 66 2HB ARG 66 -2.617 34.263 -4.147 473 2HB ARG 66 3HB ARG 66 -3.695 35.490 -4.782 474 1HG ARG 66 2HG ARG 66 -2.202 37.089 -4.198 475 2HG ARG 66 3HG ARG 66 -2.420 36.665 -2.511 476 1HD ARG 66 2HD ARG 66 -0.514 35.157 -4.360 477 2HD ARG 66 3HD ARG 66 -0.010 36.527 -3.390 478 HE ARG 66 HE ARG 66 -1.377 34.620 -1.719 479 1HH1 ARG 66 2HH2 ARG 66 1.668 35.092 -3.419 480 2HH1 ARG 66 1HH2 ARG 66 2.574 34.085 -2.340 481 1HH2 ARG 66 2HH1 ARG 66 -0.182 33.291 -0.295 482 2HH2 ARG 66 1HH1 ARG 66 1.514 33.053 -0.551 483 H ASP 67 HN ASP 67 -5.513 35.687 -0.706 484 HA ASP 67 HA ASP 67 -6.354 38.125 -1.829 485 1HB ASP 67 2HB ASP 67 -7.945 35.873 -2.481 486 2HB ASP 67 3HB ASP 67 -8.806 36.649 -1.168 487 HA PRO 68 HA PRO 68 -6.846 38.609 2.507 488 1HB PRO 68 2HB PRO 68 -8.079 41.045 2.614 489 2HB PRO 68 3HB PRO 68 -6.351 40.855 2.393 490 1HG PRO 68 2HG PRO 68 -8.404 41.593 0.398 491 2HG PRO 68 3HG PRO 68 -6.667 41.807 0.316 492 1HD PRO 68 2HD PRO 68 -8.213 39.802 -1.031 493 2HD PRO 68 3HD PRO 68 -6.467 39.947 -1.020 494 H SER 69 HN SER 69 -8.243 36.670 2.496 495 HA SER 69 HA SER 69 -10.462 37.197 3.999 496 1HB SER 69 2HB SER 69 -10.972 37.203 1.052 497 2HB SER 69 3HB SER 69 -12.093 36.262 2.016 498 HG SER 69 HG SER 69 -12.226 38.290 3.415 499 H ARG 70 HN ARG 70 -8.252 35.428 4.018 500 HA ARG 70 HA ARG 70 -9.585 33.019 4.429 501 1HB ARG 70 2HB ARG 70 -7.998 31.754 2.702 502 2HB ARG 70 3HB ARG 70 -9.528 32.417 2.164 503 1HG ARG 70 2HG ARG 70 -8.437 34.417 1.279 504 2HG ARG 70 3HG ARG 70 -6.908 33.973 2.010 505 1HD ARG 70 2HD ARG 70 -7.862 31.774 0.350 506 2HD ARG 70 3HD ARG 70 -7.868 33.256 -0.585 507 HE ARG 70 HE ARG 70 -5.507 33.406 -0.375 508 1HH1 ARG 70 2HH2 ARG 70 -6.778 30.767 1.575 509 2HH1 ARG 70 1HH2 ARG 70 -5.224 30.059 1.859 510 1HH2 ARG 70 2HH1 ARG 70 -3.456 32.472 -0.001 511 2HH2 ARG 70 1HH1 ARG 70 -3.321 31.035 0.956 512 HA PRO 71 HA PRO 71 -5.564 33.751 6.478 513 1HB PRO 71 2HB PRO 71 -6.463 33.913 9.054 514 2HB PRO 71 3HB PRO 71 -6.194 35.319 8.043 515 1HG PRO 71 2HG PRO 71 -8.752 34.061 8.827 516 2HG PRO 71 3HG PRO 71 -8.469 35.669 8.192 517 1HD PRO 71 2HD PRO 71 -9.517 33.417 6.757 518 2HD PRO 71 3HD PRO 71 -9.125 34.992 6.095 519 H TRP 72 HN TRP 72 -4.737 32.561 8.696 520 HA TRP 72 HA TRP 72 -4.460 30.598 9.731 521 1HB TRP 72 2HB TRP 72 -7.097 30.283 8.699 522 2HB TRP 72 3HB TRP 72 -6.222 28.794 8.398 523 HD1 TRP 72 HD1 TRP 72 -8.487 29.816 10.866 524 HE1 TRP 72 HE1 TRP 72 -8.088 28.889 13.304 525 HE3 TRP 72 HE3 TRP 72 -3.636 28.481 10.130 526 HZ2 TRP 72 HZ2 TRP 72 -5.839 27.728 14.622 527 HZ3 TRP 72 HZ3 TRP 72 -2.410 27.457 12.044 528 HH2 TRP 72 HH2 TRP 72 -3.435 27.075 14.231 529 H GLY 73 HN GLY 73 -5.050 30.660 6.184 530 1HA GLY 73 1HA GLY 73 -3.746 29.982 4.476 531 2HA GLY 73 2HA GLY 73 -2.435 29.721 5.608 532 H LYS 74 HN LYS 74 -5.610 28.271 4.600 533 HA LYS 74 HA LYS 74 -4.473 25.771 4.076 534 1HB LYS 74 2HB LYS 74 -4.270 25.814 6.601 535 2HB LYS 74 3HB LYS 74 -6.020 25.813 6.679 536 1HG LYS 74 2HG LYS 74 -5.012 23.747 4.836 537 2HG LYS 74 3HG LYS 74 -4.356 23.552 6.450 538 1HD LYS 74 2HD LYS 74 -7.331 24.021 6.019 539 2HD LYS 74 3HD LYS 74 -6.647 22.413 5.893 540 1HE LYS 74 2HE LYS 74 -5.623 22.785 8.226 541 2HE LYS 74 3HE LYS 74 -6.587 24.245 8.332 542 1HZ LYS 74 1HZ LYS 74 -7.403 21.553 8.605 543 2HZ LYS 74 2HZ LYS 74 -8.182 22.919 9.046 544 3HZ LYS 74 3HZ LYS 74 -8.337 22.346 7.525 545 H ASP 75 HN ASP 75 -7.338 27.681 5.110 546 HA ASP 75 HA ASP 75 -9.035 25.949 3.574 547 1HB ASP 75 2HB ASP 75 -9.560 27.202 5.838 548 2HB ASP 75 3HB ASP 75 -9.853 28.596 4.817 549 H ASN 76 HN ASN 76 -9.205 26.320 1.358 550 HA ASN 76 HA ASN 76 -9.606 28.996 0.465 551 1HB ASN 76 2HB ASN 76 -7.765 28.827 -1.286 552 2HB ASN 76 3HB ASN 76 -7.166 28.981 0.353 553 1HD2 ASN 76 1HD2 ASN 76 -6.210 27.702 -2.246 554 2HD2 ASN 76 2HD2 ASN 76 -5.665 26.121 -1.796 555 H TYR 77 HN TYR 77 -9.774 28.816 -2.174 556 HA TYR 77 HA TYR 77 -10.706 26.164 -2.948 557 1HB TYR 77 2HB TYR 77 -12.757 27.506 -3.917 558 2HB TYR 77 3HB TYR 77 -12.757 27.218 -2.188 559 HD1 TYR 77 HD1 TYR 77 -12.490 29.037 -0.608 560 HD2 TYR 77 HD2 TYR 77 -12.248 29.758 -4.818 561 HE1 TYR 77 HE1 TYR 77 -12.683 31.538 -0.198 562 HE2 TYR 77 HE2 TYR 77 -12.441 32.257 -4.394 563 HH TYR 77 HH TYR 77 -12.556 33.519 -1.084 564 H TRP 78 HN TRP 78 -10.988 25.954 -5.313 565 HA TRP 78 HA TRP 78 -9.345 27.946 -6.722 566 1HB TRP 78 2HB TRP 78 -9.647 24.994 -7.301 567 2HB TRP 78 3HB TRP 78 -8.698 26.133 -8.234 568 HD1 TRP 78 HD1 TRP 78 -8.085 27.122 -4.768 569 HE1 TRP 78 HE1 TRP 78 -5.873 26.125 -3.731 570 HE3 TRP 78 HE3 TRP 78 -7.378 23.582 -8.350 571 HZ2 TRP 78 HZ2 TRP 78 -4.115 24.015 -4.508 572 HZ3 TRP 78 HZ3 TRP 78 -5.389 22.094 -8.136 573 HH2 TRP 78 HH2 TRP 78 -3.788 22.268 -6.297 574 H MET 79 HN MET 79 -9.970 28.154 -9.102 575 HA MET 79 HA MET 79 -12.853 27.765 -9.351 576 1HB MET 79 2HB MET 79 -12.528 30.133 -9.209 577 2HB MET 79 3HB MET 79 -11.009 30.073 -10.082 578 1HG MET 79 2HG MET 79 -13.317 29.082 -11.668 579 2HG MET 79 3HG MET 79 -13.473 30.760 -11.188 580 1HE MET 79 1HE MET 79 -13.186 31.002 -14.281 581 2HE MET 79 2HE MET 79 -11.915 29.931 -14.918 582 3HE MET 79 3HE MET 79 -13.215 29.263 -13.901 583 H LEU 80 HN LEU 80 -13.274 26.181 -10.827 584 HA LEU 80 HA LEU 80 -11.519 26.086 -13.182 585 1HB LEU 80 2HB LEU 80 -11.842 23.700 -13.254 586 2HB LEU 80 3HB LEU 80 -11.128 24.190 -11.730 587 HG LEU 80 HG LEU 80 -14.071 23.975 -11.673 588 1HD1 LEU 80 1HD1 LEU 80 -13.554 22.139 -13.223 589 2HD1 LEU 80 2HD1 LEU 80 -12.406 21.469 -12.039 590 3HD1 LEU 80 3HD1 LEU 80 -14.142 21.544 -11.652 591 1HD2 LEU 80 1HD2 LEU 80 -13.724 23.576 -9.496 592 2HD2 LEU 80 2HD2 LEU 80 -12.431 22.394 -9.813 593 3HD2 LEU 80 3HD2 LEU 80 -12.065 24.136 -9.820 594 H ASN 81 HN ASN 81 -12.588 25.375 -15.199 595 HA ASN 81 HA ASN 81 -15.397 25.246 -15.250 596 1HB ASN 81 2HB ASN 81 -15.728 27.320 -16.671 597 2HB ASN 81 3HB ASN 81 -15.282 27.684 -15.016 598 1HD2 ASN 81 1HD2 ASN 81 -14.944 29.109 -17.625 599 2HD2 ASN 81 2HD2 ASN 81 -13.269 29.535 -17.726 600 HA PRO 82 HA PRO 82 -13.028 23.525 -18.757 601 1HB PRO 82 2HB PRO 82 -13.920 20.948 -18.575 602 2HB PRO 82 3HB PRO 82 -12.440 21.505 -17.821 603 1HG PRO 82 2HG PRO 82 -15.045 20.899 -16.563 604 2HG PRO 82 3HG PRO 82 -13.469 21.040 -15.810 605 1HD PRO 82 2HD PRO 82 -15.577 22.984 -15.754 606 2HD PRO 82 3HD PRO 82 -13.962 23.170 -15.101 Start of MODEL 4 1 H TYR 8 HN TYR 8 -10.221 -0.373 4.798 2 HA TYR 8 HA TYR 8 -10.152 -2.826 6.288 3 1HB TYR 8 2HB TYR 8 -10.040 0.041 6.643 4 2HB TYR 8 3HB TYR 8 -11.464 -0.486 7.516 5 HD1 TYR 8 HD1 TYR 8 -11.280 -1.525 9.638 6 HD2 TYR 8 HD2 TYR 8 -7.792 -1.038 7.209 7 HE1 TYR 8 HE1 TYR 8 -9.813 -2.230 11.591 8 HE2 TYR 8 HE2 TYR 8 -6.336 -1.745 9.171 9 HH TYR 8 HH TYR 8 -7.347 -3.370 11.670 10 H ILE 9 HN ILE 9 -12.593 -0.718 4.762 11 HA ILE 9 HA ILE 9 -14.813 -1.675 6.163 12 HB ILE 9 HB ILE 9 -16.083 -0.800 4.220 13 1HG1 ILE 9 2HG1 ILE 9 -13.424 0.043 3.057 14 2HG1 ILE 9 3HG1 ILE 9 -14.228 -1.433 2.561 15 1HG2 ILE 9 1HG2 ILE 9 -14.906 0.542 6.210 16 2HG2 ILE 9 2HG2 ILE 9 -14.084 1.315 4.834 17 3HG2 ILE 9 3HG2 ILE 9 -15.860 1.340 4.938 18 1HD1 ILE 9 1HD1 ILE 9 -15.769 -0.307 1.320 19 2HD1 ILE 9 2HD1 ILE 9 -16.066 0.876 2.616 20 3HD1 ILE 9 3HD1 ILE 9 -14.696 1.102 1.502 21 H ALA 10 HN ALA 10 -12.989 -2.908 3.342 22 HA ALA 10 HA ALA 10 -14.907 -4.869 2.649 23 1HB ALA 10 1HB ALA 10 -13.270 -5.595 1.098 24 2HB ALA 10 2HB ALA 10 -12.993 -3.843 1.250 25 3HB ALA 10 3HB ALA 10 -11.929 -4.990 2.099 26 H LEU 11 HN LEU 11 -11.777 -4.970 4.491 27 HA LEU 11 HA LEU 11 -11.779 -7.636 5.096 28 1HB LEU 11 2HB LEU 11 -10.046 -7.141 6.422 29 2HB LEU 11 3HB LEU 11 -10.154 -5.597 5.600 30 HG LEU 11 HG LEU 11 -11.739 -4.976 7.625 31 1HD1 LEU 11 1HD1 LEU 11 -10.049 -7.210 8.780 32 2HD1 LEU 11 2HD1 LEU 11 -10.994 -6.036 9.727 33 3HD1 LEU 11 3HD1 LEU 11 -11.822 -7.174 8.637 34 1HD2 LEU 11 1HD2 LEU 11 -9.011 -4.942 8.641 35 2HD2 LEU 11 2HD2 LEU 11 -9.101 -4.456 6.931 36 3HD2 LEU 11 3HD2 LEU 11 -10.072 -3.599 8.152 37 H ILE 12 HN ILE 12 -13.634 -4.959 6.597 38 HA ILE 12 HA ILE 12 -14.581 -6.518 8.755 39 HB ILE 12 HB ILE 12 -15.234 -3.875 7.533 40 1HG1 ILE 12 2HG1 ILE 12 -13.355 -4.247 9.174 41 2HG1 ILE 12 3HG1 ILE 12 -14.511 -3.003 9.607 42 1HG2 ILE 12 1HG2 ILE 12 -17.006 -5.420 9.421 43 2HG2 ILE 12 2HG2 ILE 12 -16.983 -3.641 9.394 44 3HG2 ILE 12 3HG2 ILE 12 -17.440 -4.547 7.932 45 1HD1 ILE 12 1HD1 ILE 12 -13.800 -4.717 11.443 46 2HD1 ILE 12 2HD1 ILE 12 -15.533 -4.343 11.279 47 3HD1 ILE 12 3HD1 ILE 12 -14.879 -5.850 10.594 48 H THR 13 HN THR 13 -15.885 -5.662 5.495 49 HA THR 13 HA THR 13 -18.369 -6.863 5.779 50 HB THR 13 HB THR 13 -16.538 -6.509 3.347 51 HG1 THR 13 HG1 THR 13 -18.806 -5.042 4.500 52 1HG2 THR 13 1HG2 THR 13 -18.836 -6.313 2.180 53 2HG2 THR 13 2HG2 THR 13 -18.343 -7.963 2.632 54 3HG2 THR 13 3HG2 THR 13 -19.527 -7.084 3.628 55 H MET 14 HN MET 14 -15.255 -8.303 4.631 56 HA MET 14 HA MET 14 -16.444 -10.820 4.246 57 1HB MET 14 2HB MET 14 -14.059 -11.558 3.978 58 2HB MET 14 3HB MET 14 -14.364 -10.082 3.084 59 1HG MET 14 2HG MET 14 -13.406 -8.740 4.972 60 2HG MET 14 3HG MET 14 -13.104 -10.215 5.868 61 1HE MET 14 1HE MET 14 -11.039 -11.454 5.802 62 2HE MET 14 2HE MET 14 -9.602 -10.801 4.980 63 3HE MET 14 3HE MET 14 -10.524 -9.778 6.107 64 H ALA 15 HN ALA 15 -15.115 -9.115 7.025 65 HA ALA 15 HA ALA 15 -14.523 -11.430 8.562 66 1HB ALA 15 1HB ALA 15 -13.390 -9.404 9.102 67 2HB ALA 15 2HB ALA 15 -14.911 -8.482 9.172 68 3HB ALA 15 3HB ALA 15 -14.537 -9.679 10.435 69 H ILE 16 HN ILE 16 -17.343 -9.214 8.195 70 HA ILE 16 HA ILE 16 -18.814 -10.621 10.221 71 HB ILE 16 HB ILE 16 -19.584 -8.444 8.275 72 1HG1 ILE 16 2HG1 ILE 16 -17.820 -7.989 10.084 73 2HG1 ILE 16 3HG1 ILE 16 -19.185 -6.895 9.969 74 1HG2 ILE 16 1HG2 ILE 16 -21.149 -9.278 10.717 75 2HG2 ILE 16 2HG2 ILE 16 -21.642 -8.212 9.380 76 3HG2 ILE 16 3HG2 ILE 16 -21.464 -9.961 9.104 77 1HD1 ILE 16 1HD1 ILE 16 -19.467 -9.278 11.788 78 2HD1 ILE 16 2HD1 ILE 16 -18.428 -7.934 12.319 79 3HD1 ILE 16 3HD1 ILE 16 -20.145 -7.641 11.953 80 H ARG 17 HN ARG 17 -18.194 -10.896 6.791 81 HA ARG 17 HA ARG 17 -20.552 -12.040 5.986 82 1HB ARG 17 2HB ARG 17 -18.344 -11.334 4.675 83 2HB ARG 17 3HB ARG 17 -17.880 -13.007 4.917 84 1HG ARG 17 2HG ARG 17 -20.144 -13.675 3.907 85 2HG ARG 17 3HG ARG 17 -20.376 -11.989 3.487 86 1HD ARG 17 2HD ARG 17 -19.238 -12.421 1.564 87 2HD ARG 17 3HD ARG 17 -17.787 -12.528 2.540 88 HE ARG 17 HE ARG 17 -18.993 -15.048 2.772 89 1HH1 ARG 17 2HH2 ARG 17 -17.788 -13.051 0.137 90 2HH1 ARG 17 1HH2 ARG 17 -17.377 -14.401 -0.868 91 1HH2 ARG 17 2HH1 ARG 17 -18.450 -16.829 1.447 92 2HH2 ARG 17 1HH1 ARG 17 -17.756 -16.564 -0.117 93 H ASP 18 HN ASP 18 -18.270 -13.162 8.278 94 HA ASP 18 HA ASP 18 -18.469 -15.920 7.696 95 1HB ASP 18 2HB ASP 18 -16.682 -14.545 9.091 96 2HB ASP 18 3HB ASP 18 -17.795 -14.779 10.425 97 H SER 19 HN SER 19 -20.744 -13.708 8.690 98 HA SER 19 HA SER 19 -21.909 -15.394 10.730 99 1HB SER 19 2HB SER 19 -22.952 -13.512 11.507 100 2HB SER 19 3HB SER 19 -21.715 -12.684 10.581 101 HG SER 19 HG SER 19 -23.230 -12.588 8.772 102 H ALA 20 HN ALA 20 -22.660 -13.897 7.515 103 HA ALA 20 HA ALA 20 -23.859 -14.739 5.823 104 1HB ALA 20 1HB ALA 20 -23.322 -17.028 7.122 105 2HB ALA 20 2HB ALA 20 -25.076 -16.961 7.419 106 3HB ALA 20 3HB ALA 20 -24.454 -16.960 5.751 107 H GLY 21 HN GLY 21 -24.681 -12.643 7.497 108 1HA GLY 21 1HA GLY 21 -26.486 -11.436 8.075 109 2HA GLY 21 2HA GLY 21 -27.351 -12.348 6.853 110 H GLY 22 HN GLY 22 -25.881 -13.238 10.063 111 1HA GLY 22 1HA GLY 22 -28.523 -13.817 11.134 112 2HA GLY 22 2HA GLY 22 -27.478 -15.202 10.889 113 H ARG 23 HN ARG 23 -25.274 -15.171 11.929 114 HA ARG 23 HA ARG 23 -24.802 -13.214 13.901 115 1HB ARG 23 2HB ARG 23 -24.865 -14.841 15.856 116 2HB ARG 23 3HB ARG 23 -26.444 -14.443 15.209 117 1HG ARG 23 2HG ARG 23 -25.765 -16.629 13.651 118 2HG ARG 23 3HG ARG 23 -24.978 -17.035 15.164 119 1HD ARG 23 2HD ARG 23 -27.094 -17.914 15.586 120 2HD ARG 23 3HD ARG 23 -27.324 -16.298 16.224 121 HE ARG 23 HE ARG 23 -27.939 -16.338 13.404 122 1HH1 ARG 23 2HH2 ARG 23 -29.225 -17.327 16.527 123 2HH1 ARG 23 1HH2 ARG 23 -30.878 -17.260 16.011 124 1HH2 ARG 23 2HH1 ARG 23 -30.119 -16.250 12.723 125 2HH2 ARG 23 1HH1 ARG 23 -31.389 -16.643 13.833 126 H LEU 24 HN LEU 24 -22.666 -13.590 14.985 127 HA LEU 24 HA LEU 24 -21.142 -15.880 14.252 128 1HB LEU 24 2HB LEU 24 -19.819 -15.129 12.602 129 2HB LEU 24 3HB LEU 24 -21.260 -14.215 12.207 130 HG LEU 24 HG LEU 24 -18.724 -13.246 13.518 131 1HD1 LEU 24 1HD1 LEU 24 -20.060 -11.758 11.331 132 2HD1 LEU 24 2HD1 LEU 24 -18.336 -12.098 11.613 133 3HD1 LEU 24 3HD1 LEU 24 -19.387 -13.350 10.908 134 1HD2 LEU 24 1HD2 LEU 24 -20.186 -10.990 13.458 135 2HD2 LEU 24 2HD2 LEU 24 -21.471 -12.167 13.823 136 3HD2 LEU 24 3HD2 LEU 24 -20.053 -12.037 14.891 137 H THR 25 HN THR 25 -18.747 -15.493 15.020 138 HA THR 25 HA THR 25 -18.956 -13.990 17.538 139 HB THR 25 HB THR 25 -17.560 -15.669 18.464 140 HG1 THR 25 HG1 THR 25 -16.954 -16.374 15.683 141 1HG2 THR 25 1HG2 THR 25 -18.868 -17.155 16.127 142 2HG2 THR 25 2HG2 THR 25 -18.312 -17.873 17.658 143 3HG2 THR 25 3HG2 THR 25 -19.703 -16.762 17.649 144 H LEU 26 HN LEU 26 -18.220 -11.960 17.301 145 HA LEU 26 HA LEU 26 -16.461 -11.114 15.366 146 1HB LEU 26 2HB LEU 26 -17.750 -10.066 17.708 147 2HB LEU 26 3HB LEU 26 -16.091 -9.502 17.660 148 HG LEU 26 HG LEU 26 -17.527 -7.893 16.589 149 1HD1 LEU 26 1HD1 LEU 26 -15.213 -8.863 15.514 150 2HD1 LEU 26 2HD1 LEU 26 -16.322 -8.964 14.125 151 3HD1 LEU 26 3HD1 LEU 26 -16.072 -7.408 14.953 152 1HD2 LEU 26 1HD2 LEU 26 -18.300 -9.617 14.309 153 2HD2 LEU 26 2HD2 LEU 26 -19.119 -9.949 15.855 154 3HD2 LEU 26 3HD2 LEU 26 -19.198 -8.322 15.137 155 H ALA 27 HN ALA 27 -15.864 -12.740 18.467 156 HA ALA 27 HA ALA 27 -13.197 -12.085 18.811 157 1HB ALA 27 1HB ALA 27 -13.666 -13.327 20.622 158 2HB ALA 27 2HB ALA 27 -15.145 -13.947 19.850 159 3HB ALA 27 3HB ALA 27 -13.595 -14.787 19.607 160 H GLU 28 HN GLU 28 -14.725 -14.795 16.948 161 HA GLU 28 HA GLU 28 -12.269 -15.833 16.118 162 1HB GLU 28 2HB GLU 28 -15.093 -16.128 15.015 163 2HB GLU 28 3HB GLU 28 -13.729 -17.032 14.389 164 1HG GLU 28 2HG GLU 28 -13.296 -17.869 16.765 165 2HG GLU 28 3HG GLU 28 -14.793 -17.099 17.250 166 H ILE 29 HN ILE 29 -14.345 -13.210 14.965 167 HA ILE 29 HA ILE 29 -13.453 -13.075 12.330 168 HB ILE 29 HB ILE 29 -14.997 -11.483 14.192 169 1HG1 ILE 29 2HG1 ILE 29 -16.282 -10.979 12.179 170 2HG1 ILE 29 3HG1 ILE 29 -15.008 -11.625 11.163 171 1HG2 ILE 29 1HG2 ILE 29 -13.052 -10.057 12.389 172 2HG2 ILE 29 2HG2 ILE 29 -14.628 -9.341 12.803 173 3HG2 ILE 29 3HG2 ILE 29 -13.464 -9.734 14.090 174 1HD1 ILE 29 1HD1 ILE 29 -15.283 -13.838 12.491 175 2HD1 ILE 29 2HD1 ILE 29 -16.798 -13.131 13.104 176 3HD1 ILE 29 3HD1 ILE 29 -16.585 -13.403 11.358 177 H ASN 30 HN ASN 30 -12.288 -11.325 15.293 178 HA ASN 30 HA ASN 30 -10.186 -10.109 13.930 179 1HB ASN 30 2HB ASN 30 -10.952 -10.567 16.813 180 2HB ASN 30 3HB ASN 30 -9.291 -10.102 16.504 181 1HD2 ASN 30 1HD2 ASN 30 -10.589 -8.391 17.943 182 2HD2 ASN 30 2HD2 ASN 30 -11.090 -6.975 17.080 183 H GLU 31 HN GLU 31 -10.676 -13.251 15.535 184 HA GLU 31 HA GLU 31 -8.070 -13.941 16.037 185 1HB GLU 31 2HB GLU 31 -9.942 -15.248 16.888 186 2HB GLU 31 3HB GLU 31 -10.469 -15.653 15.266 187 1HG GLU 31 2HG GLU 31 -8.554 -17.057 14.873 188 2HG GLU 31 3HG GLU 31 -7.691 -16.407 16.252 189 H TYR 32 HN TYR 32 -10.076 -14.481 13.063 190 HA TYR 32 HA TYR 32 -7.864 -15.650 11.663 191 1HB TYR 32 2HB TYR 32 -9.605 -16.108 10.132 192 2HB TYR 32 3HB TYR 32 -10.601 -15.755 11.530 193 HD1 TYR 32 HD1 TYR 32 -12.339 -14.241 11.264 194 HD2 TYR 32 HD2 TYR 32 -8.919 -13.922 8.713 195 HE1 TYR 32 HE1 TYR 32 -13.465 -12.359 9.978 196 HE2 TYR 32 HE2 TYR 32 -10.056 -12.041 7.436 197 HH TYR 32 HH TYR 32 -11.720 -10.487 7.629 198 H LEU 33 HN LEU 33 -9.226 -12.417 12.139 199 HA LEU 33 HA LEU 33 -8.254 -11.223 9.813 200 1HB LEU 33 2HB LEU 33 -9.733 -10.482 12.029 201 2HB LEU 33 3HB LEU 33 -8.275 -9.523 12.187 202 HG LEU 33 HG LEU 33 -8.622 -8.685 9.857 203 1HD1 LEU 33 1HD1 LEU 33 -11.133 -10.342 10.079 204 2HD1 LEU 33 2HD1 LEU 33 -11.003 -8.955 8.972 205 3HD1 LEU 33 3HD1 LEU 33 -9.901 -10.341 8.795 206 1HD2 LEU 33 1HD2 LEU 33 -10.019 -7.997 12.251 207 2HD2 LEU 33 2HD2 LEU 33 -9.503 -6.946 10.909 208 3HD2 LEU 33 3HD2 LEU 33 -11.102 -7.729 10.863 209 H MET 34 HN MET 34 -6.791 -11.652 13.095 210 HA MET 34 HA MET 34 -4.413 -10.345 12.314 211 1HB MET 34 2HB MET 34 -3.764 -10.734 14.560 212 2HB MET 34 3HB MET 34 -5.510 -10.796 14.702 213 1HG MET 34 2HG MET 34 -5.390 -13.319 14.416 214 2HG MET 34 3HG MET 34 -3.642 -13.200 14.428 215 1HE MET 34 1HE MET 34 -3.183 -14.057 17.976 216 2HE MET 34 2HE MET 34 -3.708 -14.938 16.521 217 3HE MET 34 3HE MET 34 -2.414 -13.720 16.407 218 H GLY 35 HN GLY 35 -5.615 -13.696 12.295 219 1HA GLY 35 1HA GLY 35 -3.042 -14.909 11.932 220 2HA GLY 35 2HA GLY 35 -4.617 -15.658 11.758 221 H LYS 36 HN LYS 36 -5.049 -12.981 9.927 222 HA LYS 36 HA LYS 36 -4.068 -14.349 7.524 223 1HB LYS 36 2HB LYS 36 -6.550 -12.827 8.170 224 2HB LYS 36 3HB LYS 36 -5.900 -12.642 6.554 225 1HG LYS 36 2HG LYS 36 -5.753 -15.237 6.488 226 2HG LYS 36 3HG LYS 36 -6.749 -15.223 7.929 227 1HD LYS 36 2HD LYS 36 -8.490 -13.894 6.703 228 2HD LYS 36 3HD LYS 36 -7.497 -13.936 5.260 229 1HE LYS 36 2HE LYS 36 -9.080 -15.720 4.995 230 2HE LYS 36 3HE LYS 36 -7.566 -16.500 5.408 231 1HZ LYS 36 1HZ LYS 36 -9.947 -16.180 7.021 232 2HZ LYS 36 2HZ LYS 36 -8.948 -17.464 6.886 233 3HZ LYS 36 3HZ LYS 36 -8.513 -16.184 7.802 234 H PHE 37 HN PHE 37 -4.641 -11.050 8.933 235 HA PHE 37 HA PHE 37 -2.909 -9.851 7.017 236 1HB PHE 37 2HB PHE 37 -4.326 -9.068 9.617 237 2HB PHE 37 3HB PHE 37 -3.244 -7.931 8.836 238 HD1 PHE 37 HD1 PHE 37 -4.033 -6.550 7.131 239 HD2 PHE 37 HD2 PHE 37 -6.273 -9.994 8.195 240 HE1 PHE 37 HE1 PHE 37 -5.904 -5.794 5.639 241 HE2 PHE 37 HE2 PHE 37 -8.144 -9.237 6.702 242 HZ PHE 37 HZ PHE 37 -7.937 -7.147 5.442 243 HA PRO 38 HA PRO 38 0.686 -10.784 9.369 244 1HB PRO 38 2HB PRO 38 2.512 -10.084 7.461 245 2HB PRO 38 3HB PRO 38 1.789 -11.677 7.555 246 1HG PRO 38 2HG PRO 38 1.213 -9.490 5.651 247 2HG PRO 38 3HG PRO 38 0.831 -11.194 5.513 248 1HD PRO 38 2HD PRO 38 -0.983 -9.078 6.189 249 2HD PRO 38 3HD PRO 38 -1.338 -10.794 6.164 250 H PHE 39 HN PHE 39 0.233 -7.794 7.601 251 HA PHE 39 HA PHE 39 2.166 -6.369 9.045 252 1HB PHE 39 2HB PHE 39 0.646 -5.974 6.823 253 2HB PHE 39 3HB PHE 39 -0.410 -5.161 7.961 254 HD1 PHE 39 HD1 PHE 39 0.306 -3.099 9.070 255 HD2 PHE 39 HD2 PHE 39 2.783 -5.022 6.212 256 HE1 PHE 39 HE1 PHE 39 1.690 -1.015 8.867 257 HE2 PHE 39 HE2 PHE 39 4.168 -2.938 6.009 258 HZ PHE 39 HZ PHE 39 3.604 -0.959 7.340 259 H PHE 40 HN PHE 40 -1.073 -7.455 9.837 260 HA PHE 40 HA PHE 40 -1.594 -5.417 11.756 261 1HB PHE 40 2HB PHE 40 -2.719 -8.035 10.756 262 2HB PHE 40 3HB PHE 40 -3.186 -7.602 12.389 263 HD1 PHE 40 HD1 PHE 40 -2.599 -5.173 9.665 264 HD2 PHE 40 HD2 PHE 40 -5.492 -7.225 11.995 265 HE1 PHE 40 HE1 PHE 40 -4.395 -3.675 8.754 266 HE2 PHE 40 HE2 PHE 40 -7.288 -5.727 11.084 267 HZ PHE 40 HZ PHE 40 -6.718 -3.970 9.474 268 H ARG 41 HN ARG 41 -0.553 -8.892 11.905 269 HA ARG 41 HA ARG 41 -0.370 -8.840 14.700 270 1HB ARG 41 2HB ARG 41 0.712 -11.056 14.436 271 2HB ARG 41 3HB ARG 41 -0.687 -10.937 13.387 272 1HG ARG 41 2HG ARG 41 0.575 -11.097 11.488 273 2HG ARG 41 3HG ARG 41 1.771 -9.958 12.077 274 1HD ARG 41 2HD ARG 41 2.650 -11.845 13.599 275 2HD ARG 41 3HD ARG 41 1.600 -12.938 12.718 276 HE ARG 41 HE ARG 41 3.262 -11.341 10.931 277 1HH1 ARG 41 2HH2 ARG 41 3.217 -14.216 12.960 278 2HH1 ARG 41 1HH2 ARG 41 4.477 -15.013 12.079 279 1HH2 ARG 41 2HH1 ARG 41 4.924 -12.393 9.768 280 2HH2 ARG 41 1HH1 ARG 41 5.455 -13.969 10.251 281 H GLY 42 HN GLY 42 1.478 -7.319 12.329 282 1HA GLY 42 1HA GLY 42 4.026 -7.623 13.771 283 2HA GLY 42 2HA GLY 42 3.808 -7.005 12.146 284 H SER 43 HN SER 43 1.734 -5.134 12.445 285 HA SER 43 HA SER 43 3.181 -3.007 13.557 286 1HB SER 43 2HB SER 43 0.349 -3.264 12.475 287 2HB SER 43 3HB SER 43 0.975 -1.742 13.078 288 HG SER 43 HG SER 43 1.585 -3.131 10.701 289 H TYR 44 HN TYR 44 -0.259 -3.893 14.321 290 HA TYR 44 HA TYR 44 0.244 -4.289 17.076 291 1HB TYR 44 2HB TYR 44 -0.593 -2.161 17.889 292 2HB TYR 44 3HB TYR 44 0.489 -1.710 16.587 293 HD1 TYR 44 HD1 TYR 44 -0.499 -1.158 14.305 294 HD2 TYR 44 HD2 TYR 44 -2.901 -1.602 17.818 295 HE1 TYR 44 HE1 TYR 44 -2.396 0.103 13.176 296 HE2 TYR 44 HE2 TYR 44 -4.790 -0.340 16.676 297 HH TYR 44 HH TYR 44 -4.306 1.366 13.748 298 H THR 45 HN THR 45 -1.355 -5.618 17.781 299 HA THR 45 HA THR 45 -3.773 -5.765 16.145 300 HB THR 45 HB THR 45 -2.530 -7.588 18.271 301 HG1 THR 45 HG1 THR 45 -2.934 -7.632 15.362 302 1HG2 THR 45 1HG2 THR 45 -4.780 -8.289 18.337 303 2HG2 THR 45 2HG2 THR 45 -5.108 -7.712 16.686 304 3HG2 THR 45 3HG2 THR 45 -4.189 -9.215 16.937 305 H GLY 46 HN GLY 46 -3.773 -3.394 17.470 306 1HA GLY 46 1HA GLY 46 -5.676 -3.908 19.678 307 2HA GLY 46 2HA GLY 46 -4.484 -2.624 19.719 308 H TRP 47 HN TRP 47 -6.630 -3.816 17.039 309 HA TRP 47 HA TRP 47 -7.691 -1.076 16.881 310 1HB TRP 47 2HB TRP 47 -8.151 -2.098 14.416 311 2HB TRP 47 3HB TRP 47 -6.784 -1.090 14.852 312 HD1 TRP 47 HD1 TRP 47 -4.606 -2.110 13.855 313 HE1 TRP 47 HE1 TRP 47 -3.540 -4.484 13.421 314 HE3 TRP 47 HE3 TRP 47 -8.532 -4.785 15.669 315 HZ2 TRP 47 HZ2 TRP 47 -4.437 -7.155 13.875 316 HZ3 TRP 47 HZ3 TRP 47 -8.356 -7.272 15.637 317 HH2 TRP 47 HH2 TRP 47 -6.398 -8.458 14.781 318 H ARG 48 HN ARG 48 -8.409 -3.795 18.340 319 HA ARG 48 HA ARG 48 -10.662 -4.804 17.136 320 1HB ARG 48 2HB ARG 48 -9.414 -5.837 19.072 321 2HB ARG 48 3HB ARG 48 -10.058 -4.598 20.131 322 1HG ARG 48 2HG ARG 48 -12.238 -5.817 18.632 323 2HG ARG 48 3HG ARG 48 -11.284 -7.073 19.396 324 1HD ARG 48 2HD ARG 48 -11.603 -4.935 21.311 325 2HD ARG 48 3HD ARG 48 -13.180 -5.274 20.625 326 HE ARG 48 HE ARG 48 -13.170 -7.372 21.673 327 1HH1 ARG 48 2HH2 ARG 48 -9.907 -6.054 21.673 328 2HH1 ARG 48 1HH2 ARG 48 -9.271 -7.290 22.706 329 1HH2 ARG 48 2HH1 ARG 48 -12.331 -9.003 23.036 330 2HH2 ARG 48 1HH1 ARG 48 -10.659 -8.979 23.487 331 H ASN 49 HN ASN 49 -10.122 -1.904 19.124 332 HA ASN 49 HA ASN 49 -12.812 -1.508 19.799 333 1HB ASN 49 2HB ASN 49 -10.800 -0.450 20.949 334 2HB ASN 49 3HB ASN 49 -10.572 0.566 19.540 335 1HD2 ASN 49 1HD2 ASN 49 -12.186 2.079 18.952 336 2HD2 ASN 49 2HD2 ASN 49 -13.286 2.735 20.119 337 H SER 50 HN SER 50 -10.554 0.048 17.390 338 HA SER 50 HA SER 50 -12.541 1.596 16.208 339 1HB SER 50 2HB SER 50 -9.906 0.613 15.022 340 2HB SER 50 3HB SER 50 -10.865 1.941 14.398 341 HG SER 50 HG SER 50 -10.361 2.273 17.101 342 H VAL 51 HN VAL 51 -11.380 -1.739 15.708 343 HA VAL 51 HA VAL 51 -12.468 -2.152 13.167 344 HB VAL 51 HB VAL 51 -11.598 -3.857 15.465 345 1HG1 VAL 51 1HG1 VAL 51 -13.068 -5.466 14.923 346 2HG1 VAL 51 2HG1 VAL 51 -13.527 -4.661 13.404 347 3HG1 VAL 51 3HG1 VAL 51 -12.080 -5.696 13.460 348 1HG2 VAL 51 1HG2 VAL 51 -10.188 -2.730 13.496 349 2HG2 VAL 51 2HG2 VAL 51 -9.767 -4.321 14.175 350 3HG2 VAL 51 3HG2 VAL 51 -10.674 -4.216 12.647 351 H ARG 52 HN ARG 52 -13.772 -3.023 16.450 352 HA ARG 52 HA ARG 52 -16.198 -3.885 15.475 353 1HB ARG 52 2HB ARG 52 -16.963 -3.752 17.810 354 2HB ARG 52 3HB ARG 52 -15.311 -4.334 17.782 355 1HG ARG 52 2HG ARG 52 -14.432 -2.174 18.431 356 2HG ARG 52 3HG ARG 52 -15.965 -1.379 18.132 357 1HD ARG 52 2HD ARG 52 -16.572 -3.438 19.990 358 2HD ARG 52 3HD ARG 52 -15.048 -2.773 20.543 359 HE ARG 52 HE ARG 52 -16.596 -0.528 19.951 360 1HH1 ARG 52 2HH2 ARG 52 -16.964 -3.332 22.045 361 2HH1 ARG 52 1HH2 ARG 52 -17.942 -2.497 23.205 362 1HH2 ARG 52 2HH1 ARG 52 -17.886 0.574 21.482 363 2HH2 ARG 52 1HH1 ARG 52 -18.470 -0.260 22.883 364 H HIS 53 HN HIS 53 -14.919 -0.652 16.172 365 HA HIS 53 HA HIS 53 -17.315 0.712 16.483 366 1HB HIS 53 2HB HIS 53 -14.690 1.352 16.639 367 2HB HIS 53 3HB HIS 53 -15.075 2.083 15.093 368 HD1 HIS 53 HD1 HIS 53 -14.456 4.290 16.688 369 HD2 HIS 53 HD2 HIS 53 -18.154 2.402 17.286 370 HE1 HIS 53 HE1 HIS 53 -15.925 5.970 17.924 371 H ASN 54 HN ASN 54 -15.279 0.230 13.509 372 HA ASN 54 HA ASN 54 -17.233 1.411 11.871 373 1HB ASN 54 2HB ASN 54 -14.664 1.093 11.453 374 2HB ASN 54 3HB ASN 54 -15.070 -0.534 10.944 375 1HD2 ASN 54 1HD2 ASN 54 -15.565 2.889 10.342 376 2HD2 ASN 54 2HD2 ASN 54 -16.055 2.775 8.685 377 H LEU 55 HN LEU 55 -16.503 -1.842 13.103 378 HA LEU 55 HA LEU 55 -17.769 -3.400 11.197 379 1HB LEU 55 2HB LEU 55 -16.280 -4.093 13.115 380 2HB LEU 55 3HB LEU 55 -17.674 -3.932 14.165 381 HG LEU 55 HG LEU 55 -18.443 -5.572 11.955 382 1HD1 LEU 55 1HD1 LEU 55 -16.558 -6.595 11.354 383 2HD1 LEU 55 2HD1 LEU 55 -15.650 -5.914 12.726 384 3HD1 LEU 55 3HD1 LEU 55 -16.610 -7.398 12.941 385 1HD2 LEU 55 1HD2 LEU 55 -18.843 -5.433 14.684 386 2HD2 LEU 55 2HD2 LEU 55 -19.460 -6.696 13.591 387 3HD2 LEU 55 3HD2 LEU 55 -17.939 -6.953 14.481 388 H SER 56 HN SER 56 -19.097 -1.925 14.236 389 HA SER 56 HA SER 56 -21.700 -2.820 13.614 390 1HB SER 56 2HB SER 56 -21.520 -2.526 15.892 391 2HB SER 56 3HB SER 56 -20.385 -1.199 15.744 392 HG SER 56 HG SER 56 -23.158 -0.897 15.005 393 H LEU 57 HN LEU 57 -19.754 0.102 13.015 394 HA LEU 57 HA LEU 57 -22.031 1.654 12.199 395 1HB LEU 57 2HB LEU 57 -19.093 2.065 12.468 396 2HB LEU 57 3HB LEU 57 -19.966 3.104 11.358 397 HG LEU 57 HG LEU 57 -21.505 3.731 13.235 398 1HD1 LEU 57 1HD1 LEU 57 -19.678 2.935 15.360 399 2HD1 LEU 57 2HD1 LEU 57 -21.447 2.777 15.246 400 3HD1 LEU 57 3HD1 LEU 57 -20.395 1.538 14.522 401 1HD2 LEU 57 1HD2 LEU 57 -18.996 4.582 14.404 402 2HD2 LEU 57 2HD2 LEU 57 -18.935 4.651 12.627 403 3HD2 LEU 57 3HD2 LEU 57 -20.216 5.518 13.508 404 H ASN 58 HN ASN 58 -20.606 -1.012 10.900 405 HA ASN 58 HA ASN 58 -20.475 0.010 8.212 406 1HB ASN 58 2HB ASN 58 -18.749 -1.598 8.775 407 2HB ASN 58 3HB ASN 58 -19.904 -2.700 9.497 408 1HD2 ASN 58 1HD2 ASN 58 -19.946 -4.461 8.326 409 2HD2 ASN 58 2HD2 ASN 58 -20.110 -4.571 6.606 410 H ASP 59 HN ASP 59 -21.772 -3.147 9.445 411 HA ASP 59 HA ASP 59 -23.922 -2.989 7.606 412 1HB ASP 59 2HB ASP 59 -22.553 -5.034 8.876 413 2HB ASP 59 3HB ASP 59 -24.041 -5.004 9.801 414 H CYS 60 HN CYS 60 -23.511 -3.074 11.223 415 HA CYS 60 HA CYS 60 -24.663 -1.789 12.698 416 1HB CYS 60 2HB CYS 60 -25.731 -0.577 10.633 417 2HB CYS 60 3HB CYS 60 -27.103 -1.624 10.939 418 HG CYS 60 HG CYS 60 -27.995 -0.551 12.867 419 H PHE 61 HN PHE 61 -24.434 -3.995 13.643 420 HA PHE 61 HA PHE 61 -27.016 -5.394 13.653 421 1HB PHE 61 2HB PHE 61 -25.028 -7.236 14.385 422 2HB PHE 61 3HB PHE 61 -25.720 -7.114 12.780 423 HD1 PHE 61 HD1 PHE 61 -24.224 -6.990 11.041 424 HD2 PHE 61 HD2 PHE 61 -23.094 -5.374 14.798 425 HE1 PHE 61 HE1 PHE 61 -21.965 -6.410 10.112 426 HE2 PHE 61 HE2 PHE 61 -20.835 -4.794 13.870 427 HZ PHE 61 HZ PHE 61 -20.298 -5.319 11.538 428 H VAL 62 HN VAL 62 -26.413 -7.244 15.698 429 HA VAL 62 HA VAL 62 -25.915 -5.441 17.965 430 HB VAL 62 HB VAL 62 -28.286 -6.053 17.674 431 1HG1 VAL 62 1HG1 VAL 62 -28.840 -8.104 16.997 432 2HG1 VAL 62 2HG1 VAL 62 -27.171 -8.677 17.232 433 3HG1 VAL 62 3HG1 VAL 62 -28.329 -8.730 18.583 434 1HG2 VAL 62 1HG2 VAL 62 -28.640 -6.200 19.917 435 2HG2 VAL 62 2HG2 VAL 62 -27.511 -7.561 20.121 436 3HG2 VAL 62 3HG2 VAL 62 -26.886 -5.902 19.969 437 H LYS 63 HN LYS 63 -24.967 -6.490 19.888 438 HA LYS 63 HA LYS 63 -23.441 -8.884 19.128 439 1HB LYS 63 2HB LYS 63 -21.751 -7.345 19.189 440 2HB LYS 63 3HB LYS 63 -22.576 -6.296 20.324 441 1HG LYS 63 2HG LYS 63 -22.203 -8.099 22.111 442 2HG LYS 63 3HG LYS 63 -21.188 -8.939 20.955 443 1HD LYS 63 2HD LYS 63 -20.143 -6.380 20.816 444 2HD LYS 63 3HD LYS 63 -20.643 -6.448 22.494 445 1HE LYS 63 2HE LYS 63 -19.381 -8.960 21.902 446 2HE LYS 63 3HE LYS 63 -18.351 -7.707 21.240 447 1HZ LYS 63 1HZ LYS 63 -18.340 -6.632 23.360 448 2HZ LYS 63 2HZ LYS 63 -19.388 -7.715 23.990 449 3HZ LYS 63 3HZ LYS 63 -17.885 -8.188 23.559 450 H VAL 64 HN VAL 64 -23.150 -10.491 20.743 451 HA VAL 64 HA VAL 64 -24.814 -10.080 23.128 452 HB VAL 64 HB VAL 64 -26.183 -11.525 22.076 453 1HG1 VAL 64 1HG1 VAL 64 -25.660 -12.948 20.247 454 2HG1 VAL 64 2HG1 VAL 64 -24.719 -11.458 19.997 455 3HG1 VAL 64 3HG1 VAL 64 -23.920 -12.920 20.623 456 1HG2 VAL 64 1HG2 VAL 64 -25.113 -12.711 24.054 457 2HG2 VAL 64 2HG2 VAL 64 -25.907 -13.756 22.851 458 3HG2 VAL 64 3HG2 VAL 64 -24.133 -13.610 22.871 459 H LEU 65 HN LEU 65 -23.420 -9.919 24.811 460 HA LEU 65 HA LEU 65 -21.073 -11.681 24.743 461 1HB LEU 65 2HB LEU 65 -20.651 -9.240 24.717 462 2HB LEU 65 3HB LEU 65 -21.479 -9.096 26.255 463 HG LEU 65 HG LEU 65 -19.763 -10.675 27.231 464 1HD1 LEU 65 1HD1 LEU 65 -17.954 -10.051 24.938 465 2HD1 LEU 65 2HD1 LEU 65 -17.926 -11.407 26.090 466 3HD1 LEU 65 3HD1 LEU 65 -19.115 -11.389 24.766 467 1HD2 LEU 65 1HD2 LEU 65 -19.692 -7.924 26.813 468 2HD2 LEU 65 2HD2 LEU 65 -18.728 -8.856 27.983 469 3HD2 LEU 65 3HD2 LEU 65 -18.059 -8.480 26.377 470 H ARG 66 HN ARG 66 -23.760 -12.584 25.441 471 HA ARG 66 HA ARG 66 -23.079 -13.575 28.026 472 1HB ARG 66 2HB ARG 66 -24.617 -11.329 28.090 473 2HB ARG 66 3HB ARG 66 -25.891 -12.510 27.857 474 1HG ARG 66 2HG ARG 66 -25.517 -13.544 29.922 475 2HG ARG 66 3HG ARG 66 -23.818 -13.117 29.955 476 1HD ARG 66 2HD ARG 66 -24.252 -10.891 30.674 477 2HD ARG 66 3HD ARG 66 -25.912 -10.927 30.112 478 HE ARG 66 HE ARG 66 -24.999 -11.741 32.707 479 1HH1 ARG 66 2HH2 ARG 66 -27.266 -12.717 30.198 480 2HH1 ARG 66 1HH2 ARG 66 -28.348 -13.500 31.301 481 1HH2 ARG 66 2HH1 ARG 66 -26.426 -12.774 34.163 482 2HH2 ARG 66 1HH1 ARG 66 -27.867 -13.533 33.572 483 H ASP 67 HN ASP 67 -22.926 -15.468 26.502 484 HA ASP 67 HA ASP 67 -25.575 -16.612 26.151 485 1HB ASP 67 2HB ASP 67 -24.529 -15.740 23.964 486 2HB ASP 67 3HB ASP 67 -23.284 -16.957 24.166 487 HA PRO 68 HA PRO 68 -23.410 -19.875 28.168 488 1HB PRO 68 2HB PRO 68 -25.385 -21.764 28.167 489 2HB PRO 68 3HB PRO 68 -25.282 -20.486 29.362 490 1HG PRO 68 2HG PRO 68 -27.129 -20.732 27.067 491 2HG PRO 68 3HG PRO 68 -27.274 -19.718 28.488 492 1HD PRO 68 2HD PRO 68 -26.491 -18.884 25.858 493 2HD PRO 68 3HD PRO 68 -26.525 -17.895 27.305 494 H SER 69 HN SER 69 -21.975 -19.782 26.202 495 HA SER 69 HA SER 69 -21.779 -22.437 25.311 496 1HB SER 69 2HB SER 69 -23.635 -21.305 23.823 497 2HB SER 69 3HB SER 69 -22.293 -20.483 23.052 498 HG SER 69 HG SER 69 -21.530 -23.029 23.161 499 H ARG 70 HN ARG 70 -20.088 -20.688 26.740 500 HA ARG 70 HA ARG 70 -17.829 -20.771 25.068 501 1HB ARG 70 2HB ARG 70 -19.268 -18.199 25.404 502 2HB ARG 70 3HB ARG 70 -17.578 -18.093 25.855 503 1HG ARG 70 2HG ARG 70 -16.830 -18.434 23.698 504 2HG ARG 70 3HG ARG 70 -18.104 -19.576 23.319 505 1HD ARG 70 2HD ARG 70 -18.176 -17.275 22.114 506 2HD ARG 70 3HD ARG 70 -19.674 -17.861 22.808 507 HE ARG 70 HE ARG 70 -17.968 -15.682 23.911 508 1HH1 ARG 70 2HH2 ARG 70 -20.896 -17.621 24.129 509 2HH1 ARG 70 1HH2 ARG 70 -21.676 -16.549 25.244 510 1HH2 ARG 70 2HH1 ARG 70 -18.996 -14.267 25.382 511 2HH2 ARG 70 1HH1 ARG 70 -20.588 -14.629 25.962 512 HA PRO 71 HA PRO 71 -17.260 -21.012 29.602 513 1HB PRO 71 2HB PRO 71 -16.363 -23.589 29.752 514 2HB PRO 71 3HB PRO 71 -18.040 -23.142 29.998 515 1HG PRO 71 2HG PRO 71 -16.792 -24.441 27.654 516 2HG PRO 71 3HG PRO 71 -18.486 -24.373 28.099 517 1HD PRO 71 2HD PRO 71 -17.182 -22.827 26.065 518 2HD PRO 71 3HD PRO 71 -18.847 -22.677 26.589 519 H TRP 72 HN TRP 72 -15.689 -19.372 29.227 520 HA TRP 72 HA TRP 72 -13.128 -20.247 29.859 521 1HB TRP 72 2HB TRP 72 -13.469 -20.980 27.344 522 2HB TRP 72 3HB TRP 72 -13.097 -19.297 27.026 523 HD1 TRP 72 HD1 TRP 72 -10.608 -18.475 28.269 524 HE1 TRP 72 HE1 TRP 72 -8.285 -19.724 28.365 525 HE3 TRP 72 HE3 TRP 72 -12.474 -23.118 27.368 526 HZ2 TRP 72 HZ2 TRP 72 -7.507 -22.453 28.060 527 HZ3 TRP 72 HZ3 TRP 72 -10.865 -25.020 27.284 528 HH2 TRP 72 HH2 TRP 72 -8.459 -24.745 27.612 529 H GLY 73 HN GLY 73 -15.234 -17.880 28.147 530 1HA GLY 73 1HA GLY 73 -15.546 -15.678 28.518 531 2HA GLY 73 2HA GLY 73 -14.563 -15.799 29.963 532 H LYS 74 HN LYS 74 -14.553 -15.215 26.449 533 HA LYS 74 HA LYS 74 -12.385 -13.461 26.625 534 1HB LYS 74 2HB LYS 74 -11.239 -15.750 26.920 535 2HB LYS 74 3HB LYS 74 -11.606 -16.023 25.229 536 1HG LYS 74 2HG LYS 74 -10.365 -13.995 24.578 537 2HG LYS 74 3HG LYS 74 -10.108 -13.569 26.258 538 1HD LYS 74 2HD LYS 74 -9.199 -16.306 25.731 539 2HD LYS 74 3HD LYS 74 -8.432 -15.176 24.633 540 1HE LYS 74 2HE LYS 74 -8.031 -13.720 26.807 541 2HE LYS 74 3HE LYS 74 -8.336 -15.217 27.666 542 1HZ LYS 74 1HZ LYS 74 -6.062 -15.150 27.264 543 2HZ LYS 74 2HZ LYS 74 -6.622 -16.205 26.151 544 3HZ LYS 74 3HZ LYS 74 -6.226 -14.684 25.707 545 H ASP 75 HN ASP 75 -14.329 -15.753 24.657 546 HA ASP 75 HA ASP 75 -14.188 -13.847 22.478 547 1HB ASP 75 2HB ASP 75 -15.618 -16.523 22.399 548 2HB ASP 75 3HB ASP 75 -14.954 -15.613 21.057 549 H ASN 76 HN ASN 76 -16.414 -13.563 21.264 550 HA ASN 76 HA ASN 76 -18.637 -13.791 23.104 551 1HB ASN 76 2HB ASN 76 -19.343 -11.459 22.660 552 2HB ASN 76 3HB ASN 76 -17.730 -11.465 23.346 553 1HD2 ASN 76 1HD2 ASN 76 -16.326 -10.207 22.410 554 2HD2 ASN 76 2HD2 ASN 76 -16.299 -9.702 20.754 555 H TYR 77 HN TYR 77 -20.767 -13.118 21.779 556 HA TYR 77 HA TYR 77 -20.412 -14.013 18.996 557 1HB TYR 77 2HB TYR 77 -22.084 -14.852 21.320 558 2HB TYR 77 3HB TYR 77 -23.066 -14.511 19.909 559 HD1 TYR 77 HD1 TYR 77 -20.581 -16.763 21.379 560 HD2 TYR 77 HD2 TYR 77 -22.843 -15.870 17.859 561 HE1 TYR 77 HE1 TYR 77 -20.049 -19.067 20.444 562 HE2 TYR 77 HE2 TYR 77 -22.304 -18.177 16.936 563 HH TYR 77 HH TYR 77 -21.012 -20.632 18.865 564 H TRP 78 HN TRP 78 -21.705 -13.007 17.392 565 HA TRP 78 HA TRP 78 -23.130 -10.615 18.344 566 1HB TRP 78 2HB TRP 78 -21.311 -10.942 15.958 567 2HB TRP 78 3HB TRP 78 -22.445 -9.615 16.121 568 HD1 TRP 78 HD1 TRP 78 -20.176 -10.995 18.978 569 HE1 TRP 78 HE1 TRP 78 -18.600 -9.095 19.912 570 HE3 TRP 78 HE3 TRP 78 -21.568 -7.456 15.603 571 HZ2 TRP 78 HZ2 TRP 78 -18.123 -6.387 19.150 572 HZ3 TRP 78 HZ3 TRP 78 -20.499 -5.210 15.768 573 HH2 TRP 78 HH2 TRP 78 -18.831 -4.650 17.464 574 H MET 79 HN MET 79 -24.925 -9.956 16.832 575 HA MET 79 HA MET 79 -25.850 -12.200 15.230 576 1HB MET 79 2HB MET 79 -27.073 -12.358 17.353 577 2HB MET 79 3HB MET 79 -27.385 -10.633 17.369 578 1HG MET 79 2HG MET 79 -28.394 -11.753 14.880 579 2HG MET 79 3HG MET 79 -29.011 -12.696 16.222 580 1HE MET 79 1HE MET 79 -29.399 -10.288 13.980 581 2HE MET 79 2HE MET 79 -30.954 -9.569 14.464 582 3HE MET 79 3HE MET 79 -29.438 -8.681 14.744 583 H LEU 80 HN LEU 80 -25.873 -11.391 13.171 584 HA LEU 80 HA LEU 80 -27.004 -8.697 12.847 585 1HB LEU 80 2HB LEU 80 -25.543 -8.364 10.969 586 2HB LEU 80 3HB LEU 80 -24.617 -8.712 12.415 587 HG LEU 80 HG LEU 80 -25.124 -11.164 10.973 588 1HD1 LEU 80 1HD1 LEU 80 -25.341 -9.692 9.013 589 2HD1 LEU 80 2HD1 LEU 80 -23.738 -9.002 9.363 590 3HD1 LEU 80 3HD1 LEU 80 -23.891 -10.721 8.927 591 1HD2 LEU 80 1HD2 LEU 80 -23.322 -11.342 12.338 592 2HD2 LEU 80 2HD2 LEU 80 -22.469 -10.866 10.851 593 3HD2 LEU 80 3HD2 LEU 80 -22.826 -9.650 12.100 594 H ASN 81 HN ASN 81 -28.367 -8.362 10.986 595 HA ASN 81 HA ASN 81 -28.998 -10.624 9.385 596 1HB ASN 81 2HB ASN 81 -31.328 -10.865 10.046 597 2HB ASN 81 3HB ASN 81 -30.374 -10.973 11.512 598 1HD2 ASN 81 1HD2 ASN 81 -29.843 -8.684 12.444 599 2HD2 ASN 81 2HD2 ASN 81 -31.203 -7.633 12.656 600 HA PRO 82 HA PRO 82 -29.983 -7.110 6.932 601 1HB PRO 82 2HB PRO 82 -30.956 -8.359 4.704 602 2HB PRO 82 3HB PRO 82 -29.244 -8.146 5.013 603 1HG PRO 82 2HG PRO 82 -30.880 -10.597 5.254 604 2HG PRO 82 3HG PRO 82 -29.138 -10.447 5.141 605 1HD PRO 82 2HD PRO 82 -30.663 -10.985 7.510 606 2HD PRO 82 3HD PRO 82 -28.934 -10.720 7.415 Start of MODEL 5 1 H TYR 8 HN TYR 8 7.477 -5.489 -9.904 2 HA TYR 8 HA TYR 8 10.174 -4.887 -9.576 3 1HB TYR 8 2HB TYR 8 8.571 -6.486 -11.149 4 2HB TYR 8 3HB TYR 8 8.878 -5.205 -12.306 5 HD1 TYR 8 HD1 TYR 8 11.738 -4.547 -11.469 6 HD2 TYR 8 HD2 TYR 8 9.753 -8.273 -12.164 7 HE1 TYR 8 HE1 TYR 8 13.960 -5.627 -12.068 8 HE2 TYR 8 HE2 TYR 8 11.982 -9.341 -12.761 9 HH TYR 8 HH TYR 8 14.651 -7.624 -13.536 10 H ILE 9 HN ILE 9 7.540 -3.178 -11.328 11 HA ILE 9 HA ILE 9 9.183 -1.421 -12.743 12 HB ILE 9 HB ILE 9 7.102 -0.019 -12.830 13 1HG1 ILE 9 2HG1 ILE 9 5.280 -2.017 -11.865 14 2HG1 ILE 9 3HG1 ILE 9 6.392 -1.605 -10.574 15 1HG2 ILE 9 1HG2 ILE 9 7.734 -1.843 -14.449 16 2HG2 ILE 9 2HG2 ILE 9 6.646 -2.923 -13.544 17 3HG2 ILE 9 3HG2 ILE 9 5.995 -1.474 -14.348 18 1HD1 ILE 9 1HD1 ILE 9 4.175 -0.152 -11.076 19 2HD1 ILE 9 2HD1 ILE 9 5.665 0.591 -10.445 20 3HD1 ILE 9 3HD1 ILE 9 5.293 0.680 -12.183 21 H ALA 10 HN ALA 10 7.968 -1.437 -9.384 22 HA ALA 10 HA ALA 10 8.651 1.244 -8.831 23 1HB ALA 10 1HB ALA 10 8.545 -1.015 -6.816 24 2HB ALA 10 2HB ALA 10 8.087 0.692 -6.603 25 3HB ALA 10 3HB ALA 10 7.069 -0.387 -7.588 26 H LEU 11 HN LEU 11 10.378 -1.904 -8.632 27 HA LEU 11 HA LEU 11 12.593 -0.975 -7.219 28 1HB LEU 11 2HB LEU 11 12.311 -3.269 -7.310 29 2HB LEU 11 3HB LEU 11 12.034 -3.283 -9.041 30 HG LEU 11 HG LEU 11 14.539 -2.493 -9.171 31 1HD1 LEU 11 1HD1 LEU 11 15.672 -3.914 -7.188 32 2HD1 LEU 11 2HD1 LEU 11 15.361 -2.164 -7.092 33 3HD1 LEU 11 3HD1 LEU 11 14.229 -3.312 -6.337 34 1HD2 LEU 11 1HD2 LEU 11 14.652 -4.484 -10.137 35 2HD2 LEU 11 2HD2 LEU 11 14.829 -5.243 -8.537 36 3HD2 LEU 11 3HD2 LEU 11 13.210 -5.025 -9.245 37 H ILE 12 HN ILE 12 11.944 -1.199 -10.775 38 HA ILE 12 HA ILE 12 14.449 -0.120 -11.486 39 HB ILE 12 HB ILE 12 12.097 -1.142 -12.763 40 1HG1 ILE 12 2HG1 ILE 12 13.794 -1.393 -14.662 41 2HG1 ILE 12 3HG1 ILE 12 14.968 -0.665 -13.584 42 1HG2 ILE 12 1HG2 ILE 12 11.470 1.070 -13.391 43 2HG2 ILE 12 2HG2 ILE 12 13.138 1.479 -13.861 44 3HG2 ILE 12 3HG2 ILE 12 12.208 0.299 -14.816 45 1HD1 ILE 12 1HD1 ILE 12 13.965 -3.393 -13.612 46 2HD1 ILE 12 2HD1 ILE 12 15.306 -2.705 -12.665 47 3HD1 ILE 12 3HD1 ILE 12 13.645 -2.645 -12.028 48 H THR 13 HN THR 13 11.216 1.270 -10.783 49 HA THR 13 HA THR 13 11.720 3.853 -11.704 50 HB THR 13 HB THR 13 9.939 2.721 -9.486 51 HG1 THR 13 HG1 THR 13 9.537 3.699 -12.225 52 1HG2 THR 13 1HG2 THR 13 10.286 5.243 -9.280 53 2HG2 THR 13 2HG2 THR 13 9.712 5.396 -10.958 54 3HG2 THR 13 3HG2 THR 13 8.619 4.776 -9.697 55 H MET 14 HN MET 14 12.271 2.400 -8.437 56 HA MET 14 HA MET 14 13.299 4.804 -7.417 57 1HB MET 14 2HB MET 14 13.970 3.351 -5.496 58 2HB MET 14 3HB MET 14 12.341 2.966 -6.012 59 1HG MET 14 2HG MET 14 13.053 0.964 -7.148 60 2HG MET 14 3HG MET 14 14.738 1.442 -7.109 61 1HE MET 14 1HE MET 14 15.062 -1.481 -5.228 62 2HE MET 14 2HE MET 14 15.651 -0.301 -6.424 63 3HE MET 14 3HE MET 14 16.215 -0.216 -4.738 64 H ALA 15 HN ALA 15 14.664 2.103 -9.250 65 HA ALA 15 HA ALA 15 17.362 2.546 -8.519 66 1HB ALA 15 1HB ALA 15 17.821 0.857 -10.062 67 2HB ALA 15 2HB ALA 15 16.135 0.494 -9.623 68 3HB ALA 15 3HB ALA 15 16.495 1.342 -11.145 69 H ILE 16 HN ILE 16 15.502 3.315 -11.554 70 HA ILE 16 HA ILE 16 17.562 4.930 -12.585 71 HB ILE 16 HB ILE 16 16.067 3.930 -14.090 72 1HG1 ILE 16 2HG1 ILE 16 14.788 6.451 -14.590 73 2HG1 ILE 16 3HG1 ILE 16 16.414 6.755 -14.011 74 1HG2 ILE 16 1HG2 ILE 16 13.555 5.171 -13.672 75 2HG2 ILE 16 2HG2 ILE 16 13.981 3.449 -13.518 76 3HG2 ILE 16 3HG2 ILE 16 14.089 4.523 -12.103 77 1HD1 ILE 16 1HD1 ILE 16 16.601 6.502 -16.391 78 2HD1 ILE 16 2HD1 ILE 16 17.220 4.984 -15.697 79 3HD1 ILE 16 3HD1 ILE 16 15.580 5.043 -16.387 80 H ARG 17 HN ARG 17 14.883 5.477 -10.332 81 HA ARG 17 HA ARG 17 14.635 8.182 -10.601 82 1HB ARG 17 2HB ARG 17 13.044 7.061 -9.216 83 2HB ARG 17 3HB ARG 17 14.286 6.273 -8.263 84 1HG ARG 17 2HG ARG 17 14.184 9.290 -8.244 85 2HG ARG 17 3HG ARG 17 12.962 8.419 -7.340 86 1HD ARG 17 2HD ARG 17 14.466 7.668 -5.758 87 2HD ARG 17 3HD ARG 17 15.741 7.415 -6.933 88 HE ARG 17 HE ARG 17 16.569 9.520 -6.383 89 1HH1 ARG 17 2HH2 ARG 17 13.124 9.460 -5.664 90 2HH1 ARG 17 1HH2 ARG 17 13.105 11.060 -5.002 91 1HH2 ARG 17 2HH1 ARG 17 16.543 11.631 -5.510 92 2HH2 ARG 17 1HH1 ARG 17 15.062 12.304 -4.914 93 H ASP 18 HN ASP 18 17.361 6.349 -9.585 94 HA ASP 18 HA ASP 18 18.472 7.694 -7.559 95 1HB ASP 18 2HB ASP 18 19.450 5.726 -8.792 96 2HB ASP 18 3HB ASP 18 19.904 6.795 -10.104 97 H SER 19 HN SER 19 17.794 8.815 -10.823 98 HA SER 19 HA SER 19 19.689 10.959 -10.679 99 1HB SER 19 2HB SER 19 19.244 11.296 -12.927 100 2HB SER 19 3HB SER 19 18.783 9.610 -12.790 101 HG SER 19 HG SER 19 16.653 10.114 -12.945 102 H ALA 20 HN ALA 20 17.714 12.786 -12.159 103 HA ALA 20 HA ALA 20 15.697 13.340 -10.180 104 1HB ALA 20 1HB ALA 20 17.264 14.559 -8.992 105 2HB ALA 20 2HB ALA 20 18.233 14.930 -10.438 106 3HB ALA 20 3HB ALA 20 16.711 15.803 -10.138 107 H GLY 21 HN GLY 21 16.120 12.609 -13.118 108 1HA GLY 21 1HA GLY 21 14.555 13.113 -14.788 109 2HA GLY 21 2HA GLY 21 14.415 14.751 -14.181 110 H GLY 22 HN GLY 22 17.429 12.861 -14.841 111 1HA GLY 22 1HA GLY 22 17.991 14.610 -17.136 112 2HA GLY 22 2HA GLY 22 19.121 14.572 -15.796 113 H ARG 23 HN ARG 23 19.993 12.368 -15.124 114 HA ARG 23 HA ARG 23 19.699 10.258 -16.962 115 1HB ARG 23 2HB ARG 23 22.083 10.209 -17.747 116 2HB ARG 23 3HB ARG 23 21.228 11.623 -18.329 117 1HG ARG 23 2HG ARG 23 22.589 11.972 -15.693 118 2HG ARG 23 3HG ARG 23 23.666 11.705 -17.050 119 1HD ARG 23 2HD ARG 23 23.007 13.680 -18.148 120 2HD ARG 23 3HD ARG 23 21.427 13.705 -17.391 121 HE ARG 23 HE ARG 23 22.338 14.848 -15.554 122 1HH1 ARG 23 2HH2 ARG 23 24.939 13.491 -17.496 123 2HH1 ARG 23 1HH2 ARG 23 26.190 14.317 -16.629 124 1HH2 ARG 23 2HH1 ARG 23 23.988 15.939 -14.409 125 2HH2 ARG 23 1HH1 ARG 23 25.646 15.719 -14.861 126 H LEU 24 HN LEU 24 21.239 8.376 -16.326 127 HA LEU 24 HA LEU 24 22.620 8.615 -13.848 128 1HB LEU 24 2HB LEU 24 21.236 7.177 -12.513 129 2HB LEU 24 3HB LEU 24 20.348 8.609 -12.993 130 HG LEU 24 HG LEU 24 18.732 7.049 -13.333 131 1HD1 LEU 24 1HD1 LEU 24 18.484 6.512 -15.681 132 2HD1 LEU 24 2HD1 LEU 24 19.173 8.143 -15.502 133 3HD1 LEU 24 3HD1 LEU 24 20.222 6.778 -15.958 134 1HD2 LEU 24 1HD2 LEU 24 20.781 5.004 -14.228 135 2HD2 LEU 24 2HD2 LEU 24 20.153 5.170 -12.571 136 3HD2 LEU 24 3HD2 LEU 24 19.054 4.724 -13.898 137 H THR 25 HN THR 25 23.527 6.412 -13.193 138 HA THR 25 HA THR 25 24.168 4.982 -15.662 139 HB THR 25 HB THR 25 26.211 4.496 -14.595 140 HG1 THR 25 HG1 THR 25 24.721 4.972 -12.111 141 1HG2 THR 25 1HG2 THR 25 25.603 6.714 -12.652 142 2HG2 THR 25 2HG2 THR 25 27.031 6.484 -13.690 143 3HG2 THR 25 3HG2 THR 25 25.518 7.117 -14.383 144 H LEU 26 HN LEU 26 23.306 3.074 -16.174 145 HA LEU 26 HA LEU 26 21.496 1.862 -14.320 146 1HB LEU 26 2HB LEU 26 22.077 1.779 -17.156 147 2HB LEU 26 3HB LEU 26 21.887 0.162 -16.508 148 HG LEU 26 HG LEU 26 19.833 1.489 -17.451 149 1HD1 LEU 26 1HD1 LEU 26 19.002 0.281 -14.911 150 2HD1 LEU 26 2HD1 LEU 26 18.614 -0.174 -16.588 151 3HD1 LEU 26 3HD1 LEU 26 20.137 -0.721 -15.847 152 1HD2 LEU 26 1HD2 LEU 26 18.691 2.934 -16.048 153 2HD2 LEU 26 2HD2 LEU 26 19.555 2.380 -14.594 154 3HD2 LEU 26 3HD2 LEU 26 20.387 3.405 -15.788 155 H ALA 27 HN ALA 27 24.880 1.547 -15.206 156 HA ALA 27 HA ALA 27 25.293 -1.122 -14.551 157 1HB ALA 27 1HB ALA 27 27.126 -0.197 -15.578 158 2HB ALA 27 2HB ALA 27 26.920 1.376 -14.771 159 3HB ALA 27 3HB ALA 27 27.648 0.012 -13.889 160 H GLU 28 HN GLU 28 25.385 1.875 -12.516 161 HA GLU 28 HA GLU 28 26.014 0.415 -10.191 162 1HB GLU 28 2HB GLU 28 26.124 3.062 -10.910 163 2HB GLU 28 3HB GLU 28 24.690 3.072 -9.902 164 1HG GLU 28 2HG GLU 28 26.120 1.730 -8.174 165 2HG GLU 28 3HG GLU 28 27.505 2.210 -9.135 166 H ILE 29 HN ILE 29 22.994 1.723 -11.660 167 HA ILE 29 HA ILE 29 21.277 1.295 -9.554 168 HB ILE 29 HB ILE 29 21.129 1.778 -12.403 169 1HG1 ILE 29 2HG1 ILE 29 19.415 3.283 -11.778 170 2HG1 ILE 29 3HG1 ILE 29 19.057 2.411 -10.300 171 1HG2 ILE 29 1HG2 ILE 29 19.140 -0.139 -11.196 172 2HG2 ILE 29 2HG2 ILE 29 18.702 0.948 -12.537 173 3HG2 ILE 29 3HG2 ILE 29 20.008 -0.243 -12.747 174 1HD1 ILE 29 1HD1 ILE 29 20.661 4.630 -10.413 175 2HD1 ILE 29 2HD1 ILE 29 20.782 3.388 -9.143 176 3HD1 ILE 29 3HD1 ILE 29 21.880 3.338 -10.543 177 H ASN 30 HN ASN 30 22.258 -0.985 -12.198 178 HA ASN 30 HA ASN 30 20.710 -3.070 -11.145 179 1HB ASN 30 2HB ASN 30 23.130 -3.122 -13.025 180 2HB ASN 30 3HB ASN 30 22.079 -4.494 -12.737 181 1HD2 ASN 30 1HD2 ASN 30 19.604 -3.520 -12.696 182 2HD2 ASN 30 2HD2 ASN 30 19.158 -2.781 -14.197 183 H GLU 31 HN GLU 31 24.009 -1.809 -10.668 184 HA GLU 31 HA GLU 31 25.226 -4.032 -9.626 185 1HB GLU 31 2HB GLU 31 26.404 -1.937 -10.216 186 2HB GLU 31 3HB GLU 31 25.625 -1.098 -8.889 187 1HG GLU 31 2HG GLU 31 26.799 -2.382 -7.233 188 2HG GLU 31 3HG GLU 31 27.279 -3.602 -8.396 189 H TYR 32 HN TYR 32 23.293 -1.454 -7.966 190 HA TYR 32 HA TYR 32 23.552 -2.760 -5.424 191 1HB TYR 32 2HB TYR 32 22.477 -0.750 -4.722 192 2HB TYR 32 3HB TYR 32 23.177 -0.211 -6.235 193 HD1 TYR 32 HD1 TYR 32 21.803 0.911 -7.735 194 HD2 TYR 32 HD2 TYR 32 20.034 -1.838 -4.974 195 HE1 TYR 32 HE1 TYR 32 19.488 1.552 -8.568 196 HE2 TYR 32 HE2 TYR 32 17.726 -1.187 -5.816 197 HH TYR 32 HH TYR 32 16.863 1.200 -7.038 198 H LEU 33 HN LEU 33 21.262 -2.727 -8.145 199 HA LEU 33 HA LEU 33 18.990 -3.603 -6.850 200 1HB LEU 33 2HB LEU 33 19.771 -3.058 -9.431 201 2HB LEU 33 3HB LEU 33 19.453 -4.780 -9.492 202 HG LEU 33 HG LEU 33 17.185 -4.297 -8.461 203 1HD1 LEU 33 1HD1 LEU 33 18.159 -1.485 -8.876 204 2HD1 LEU 33 2HD1 LEU 33 16.425 -1.870 -8.990 205 3HD1 LEU 33 3HD1 LEU 33 17.313 -2.202 -7.484 206 1HD2 LEU 33 1HD2 LEU 33 17.207 -4.867 -10.735 207 2HD2 LEU 33 2HD2 LEU 33 16.273 -3.354 -10.657 208 3HD2 LEU 33 3HD2 LEU 33 17.965 -3.328 -11.209 209 H MET 34 HN MET 34 21.748 -5.500 -8.226 210 HA MET 34 HA MET 34 20.590 -7.941 -7.381 211 1HB MET 34 2HB MET 34 22.113 -7.813 -9.335 212 2HB MET 34 3HB MET 34 23.395 -7.153 -8.340 213 1HG MET 34 2HG MET 34 22.643 -9.557 -7.035 214 2HG MET 34 3HG MET 34 22.622 -9.955 -8.741 215 1HE MET 34 1HE MET 34 24.216 -8.703 -5.793 216 2HE MET 34 2HE MET 34 25.493 -9.943 -5.827 217 3HE MET 34 3HE MET 34 25.891 -8.246 -6.187 218 H GLY 35 HN GLY 35 22.842 -5.551 -6.022 219 1HA GLY 35 1HA GLY 35 23.937 -7.242 -4.004 220 2HA GLY 35 2HA GLY 35 24.017 -5.494 -4.095 221 H LYS 36 HN LYS 36 20.828 -5.780 -4.466 222 HA LYS 36 HA LYS 36 20.358 -5.765 -1.573 223 1HB LYS 36 2HB LYS 36 19.575 -4.013 -3.727 224 2HB LYS 36 3HB LYS 36 18.144 -4.676 -2.963 225 1HG LYS 36 2HG LYS 36 18.551 -3.618 -0.950 226 2HG LYS 36 3HG LYS 36 20.288 -3.813 -1.073 227 1HD LYS 36 2HD LYS 36 20.549 -1.892 -2.434 228 2HD LYS 36 3HD LYS 36 18.882 -1.921 -2.974 229 1HE LYS 36 2HE LYS 36 19.156 -1.614 -0.035 230 2HE LYS 36 3HE LYS 36 19.889 -0.304 -0.940 231 1HZ LYS 36 1HZ LYS 36 17.715 0.332 -0.741 232 2HZ LYS 36 2HZ LYS 36 17.698 -0.350 -2.225 233 3HZ LYS 36 3HZ LYS 36 17.106 -1.170 -0.943 234 H PHE 37 HN PHE 37 18.942 -6.835 -4.736 235 HA PHE 37 HA PHE 37 17.082 -8.537 -3.372 236 1HB PHE 37 2HB PHE 37 17.947 -7.891 -6.232 237 2HB PHE 37 3HB PHE 37 16.887 -9.259 -5.954 238 HD1 PHE 37 HD1 PHE 37 14.720 -8.761 -6.531 239 HD2 PHE 37 HD2 PHE 37 17.029 -5.780 -4.583 240 HE1 PHE 37 HE1 PHE 37 12.736 -7.223 -6.532 241 HE2 PHE 37 HE2 PHE 37 15.045 -4.243 -4.584 242 HZ PHE 37 HZ PHE 37 12.922 -4.982 -5.559 243 HA PRO 38 HA PRO 38 20.018 -11.807 -3.247 244 1HB PRO 38 2HB PRO 38 18.603 -13.450 -1.584 245 2HB PRO 38 3HB PRO 38 19.675 -12.191 -1.003 246 1HG PRO 38 2HG PRO 38 16.720 -12.221 -1.074 247 2HG PRO 38 3HG PRO 38 17.785 -11.195 -0.134 248 1HD PRO 38 2HD PRO 38 16.350 -10.463 -2.507 249 2HD PRO 38 3HD PRO 38 17.504 -9.475 -1.633 250 H PHE 39 HN PHE 39 16.594 -12.299 -3.813 251 HA PHE 39 HA PHE 39 16.840 -14.824 -4.946 252 1HB PHE 39 2HB PHE 39 14.948 -12.439 -5.365 253 2HB PHE 39 3HB PHE 39 14.628 -14.008 -6.077 254 HD1 PHE 39 HD1 PHE 39 14.905 -15.997 -4.206 255 HD2 PHE 39 HD2 PHE 39 13.763 -11.980 -3.454 256 HE1 PHE 39 HE1 PHE 39 13.753 -16.720 -2.096 257 HE2 PHE 39 HE2 PHE 39 12.610 -12.703 -1.344 258 HZ PHE 39 HZ PHE 39 12.619 -15.064 -0.691 259 H PHE 40 HN PHE 40 17.402 -11.558 -6.260 260 HA PHE 40 HA PHE 40 17.324 -12.326 -8.973 261 1HB PHE 40 2HB PHE 40 18.272 -10.042 -7.226 262 2HB PHE 40 3HB PHE 40 18.945 -10.099 -8.842 263 HD1 PHE 40 HD1 PHE 40 17.934 -8.152 -9.726 264 HD2 PHE 40 HD2 PHE 40 15.514 -11.148 -7.943 265 HE1 PHE 40 HE1 PHE 40 15.878 -7.026 -10.623 266 HE2 PHE 40 HE2 PHE 40 13.459 -10.021 -8.840 267 HZ PHE 40 HZ PHE 40 13.665 -7.974 -10.169 268 H ARG 41 HN ARG 41 19.923 -12.096 -6.490 269 HA ARG 41 HA ARG 41 21.916 -12.693 -8.424 270 1HB ARG 41 2HB ARG 41 22.170 -11.316 -6.221 271 2HB ARG 41 3HB ARG 41 22.222 -12.860 -5.393 272 1HG ARG 41 2HG ARG 41 24.019 -12.820 -7.725 273 2HG ARG 41 3HG ARG 41 24.396 -11.532 -6.599 274 1HD ARG 41 2HD ARG 41 24.488 -13.199 -4.727 275 2HD ARG 41 3HD ARG 41 24.119 -14.486 -5.857 276 HE ARG 41 HE ARG 41 26.399 -12.981 -6.791 277 1HH1 ARG 41 2HH2 ARG 41 25.462 -15.368 -4.381 278 2HH1 ARG 41 1HH2 ARG 41 27.048 -16.055 -4.259 279 1HH2 ARG 41 2HH1 ARG 41 28.491 -13.887 -6.630 280 2HH2 ARG 41 1HH1 ARG 41 28.782 -15.207 -5.547 281 H GLY 42 HN GLY 42 19.569 -14.489 -6.713 282 1HA GLY 42 1HA GLY 42 21.222 -16.916 -6.566 283 2HA GLY 42 2HA GLY 42 19.668 -16.653 -5.799 284 H SER 43 HN SER 43 18.090 -15.643 -7.895 285 HA SER 43 HA SER 43 17.525 -18.031 -9.245 286 1HB SER 43 2HB SER 43 16.489 -15.198 -9.706 287 2HB SER 43 3HB SER 43 15.789 -16.639 -10.418 288 HG SER 43 HG SER 43 16.110 -16.796 -7.631 289 H TYR 44 HN TYR 44 18.093 -14.763 -10.739 290 HA TYR 44 HA TYR 44 20.273 -15.576 -12.304 291 1HB TYR 44 2HB TYR 44 19.146 -16.025 -14.397 292 2HB TYR 44 3HB TYR 44 18.158 -16.875 -13.225 293 HD1 TYR 44 HD1 TYR 44 16.326 -15.114 -12.077 294 HD2 TYR 44 HD2 TYR 44 17.937 -14.932 -16.036 295 HE1 TYR 44 HE1 TYR 44 14.289 -13.806 -12.853 296 HE2 TYR 44 HE2 TYR 44 15.894 -13.625 -16.799 297 HH TYR 44 HH TYR 44 13.532 -12.466 -14.497 298 H THR 45 HN THR 45 21.295 -13.754 -13.043 299 HA THR 45 HA THR 45 19.783 -11.255 -12.787 300 HB THR 45 HB THR 45 22.799 -11.652 -13.069 301 HG1 THR 45 HG1 THR 45 21.744 -12.898 -11.274 302 1HG2 THR 45 1HG2 THR 45 22.962 -9.520 -11.999 303 2HG2 THR 45 2HG2 THR 45 21.628 -9.299 -13.157 304 3HG2 THR 45 3HG2 THR 45 21.274 -9.582 -11.436 305 H GLY 46 HN GLY 46 18.945 -12.654 -14.973 306 1HA GLY 46 1HA GLY 46 20.301 -11.226 -17.183 307 2HA GLY 46 2HA GLY 46 19.671 -12.854 -17.330 308 H TRP 47 HN TRP 47 18.446 -9.702 -15.972 309 HA TRP 47 HA TRP 47 16.072 -10.071 -17.665 310 1HB TRP 47 2HB TRP 47 15.077 -8.698 -15.559 311 2HB TRP 47 3HB TRP 47 14.943 -10.431 -15.783 312 HD1 TRP 47 HD1 TRP 47 15.547 -11.679 -13.580 313 HE1 TRP 47 HE1 TRP 47 17.178 -11.406 -11.523 314 HE3 TRP 47 HE3 TRP 47 17.674 -7.342 -15.169 315 HZ2 TRP 47 HZ2 TRP 47 19.130 -9.452 -10.807 316 HZ3 TRP 47 HZ3 TRP 47 19.434 -6.317 -13.732 317 HH2 TRP 47 HH2 TRP 47 20.168 -7.301 -11.618 318 H ARG 48 HN ARG 48 18.852 -8.514 -17.542 319 HA ARG 48 HA ARG 48 18.250 -5.852 -17.193 320 1HB ARG 48 2HB ARG 48 20.397 -7.411 -18.626 321 2HB ARG 48 3HB ARG 48 20.277 -5.702 -18.995 322 1HG ARG 48 2HG ARG 48 20.063 -5.847 -16.170 323 2HG ARG 48 3HG ARG 48 21.313 -7.005 -16.582 324 1HD ARG 48 2HD ARG 48 21.577 -4.482 -18.101 325 2HD ARG 48 3HD ARG 48 21.649 -4.227 -16.368 326 HE ARG 48 HE ARG 48 23.326 -6.373 -16.678 327 1HH1 ARG 48 2HH2 ARG 48 23.122 -3.281 -18.346 328 2HH1 ARG 48 1HH2 ARG 48 24.815 -3.219 -18.708 329 1HH2 ARG 48 2HH1 ARG 48 25.560 -6.292 -17.154 330 2HH2 ARG 48 1HH1 ARG 48 26.211 -4.943 -18.025 331 H ASN 49 HN ASN 49 17.511 -8.096 -19.789 332 HA ASN 49 HA ASN 49 17.279 -6.162 -21.820 333 1HB ASN 49 2HB ASN 49 16.734 -9.064 -21.456 334 2HB ASN 49 3HB ASN 49 15.610 -8.289 -22.556 335 1HD2 ASN 49 1HD2 ASN 49 16.446 -9.432 -24.294 336 2HD2 ASN 49 2HD2 ASN 49 17.956 -9.037 -25.046 337 H SER 50 HN SER 50 14.937 -8.049 -19.760 338 HA SER 50 HA SER 50 12.701 -6.671 -20.749 339 1HB SER 50 2HB SER 50 13.279 -8.790 -18.803 340 2HB SER 50 3HB SER 50 12.018 -7.722 -18.220 341 HG SER 50 HG SER 50 11.729 -9.703 -19.960 342 H VAL 51 HN VAL 51 14.892 -6.298 -17.928 343 HA VAL 51 HA VAL 51 13.346 -4.431 -16.533 344 HB VAL 51 HB VAL 51 16.236 -5.224 -16.608 345 1HG1 VAL 51 1HG1 VAL 51 15.056 -2.831 -15.193 346 2HG1 VAL 51 2HG1 VAL 51 16.472 -3.690 -14.541 347 3HG1 VAL 51 3HG1 VAL 51 16.549 -2.944 -16.155 348 1HG2 VAL 51 1HG2 VAL 51 14.630 -5.199 -14.108 349 2HG2 VAL 51 2HG2 VAL 51 14.104 -6.336 -15.372 350 3HG2 VAL 51 3HG2 VAL 51 15.764 -6.418 -14.736 351 H ARG 52 HN ARG 52 16.174 -3.955 -18.772 352 HA ARG 52 HA ARG 52 16.101 -1.238 -18.747 353 1HB ARG 52 2HB ARG 52 17.974 -2.306 -19.787 354 2HB ARG 52 3HB ARG 52 16.958 -3.265 -20.845 355 1HG ARG 52 2HG ARG 52 16.248 -1.162 -22.035 356 2HG ARG 52 3HG ARG 52 17.315 -0.233 -21.000 357 1HD ARG 52 2HD ARG 52 19.289 -1.279 -21.909 358 2HD ARG 52 3HD ARG 52 18.363 -2.565 -22.657 359 HE ARG 52 HE ARG 52 17.691 0.152 -23.591 360 1HH1 ARG 52 2HH2 ARG 52 19.608 -2.749 -24.130 361 2HH1 ARG 52 1HH2 ARG 52 19.892 -2.404 -25.804 362 1HH2 ARG 52 2HH1 ARG 52 18.066 0.608 -25.799 363 2HH2 ARG 52 1HH1 ARG 52 19.009 -0.482 -26.759 364 H HIS 53 HN HIS 53 14.329 -3.583 -20.855 365 HA HIS 53 HA HIS 53 13.218 -1.757 -22.597 366 1HB HIS 53 2HB HIS 53 13.252 -4.310 -22.687 367 2HB HIS 53 3HB HIS 53 11.859 -4.277 -21.624 368 HD1 HIS 53 HD1 HIS 53 11.875 -5.337 -24.640 369 HD2 HIS 53 HD2 HIS 53 10.476 -1.605 -23.333 370 HE1 HIS 53 HE1 HIS 53 10.211 -4.540 -26.403 371 H ASN 54 HN ASN 54 11.758 -3.176 -19.581 372 HA ASN 54 HA ASN 54 9.497 -1.612 -19.667 373 1HB ASN 54 2HB ASN 54 10.827 -3.417 -17.783 374 2HB ASN 54 3HB ASN 54 10.144 -2.057 -16.914 375 1HD2 ASN 54 1HD2 ASN 54 7.903 -1.526 -17.242 376 2HD2 ASN 54 2HD2 ASN 54 6.750 -2.763 -17.616 377 H LEU 55 HN LEU 55 12.830 -0.978 -18.647 378 HA LEU 55 HA LEU 55 12.408 1.131 -16.885 379 1HB LEU 55 2HB LEU 55 14.555 -0.253 -17.949 380 2HB LEU 55 3HB LEU 55 14.783 1.373 -18.564 381 HG LEU 55 HG LEU 55 14.279 0.861 -15.633 382 1HD1 LEU 55 1HD1 LEU 55 16.315 0.050 -15.267 383 2HD1 LEU 55 2HD1 LEU 55 16.469 -0.171 -17.026 384 3HD1 LEU 55 3HD1 LEU 55 17.072 1.318 -16.260 385 1HD2 LEU 55 1HD2 LEU 55 14.271 3.189 -16.990 386 2HD2 LEU 55 2HD2 LEU 55 14.787 3.035 -15.293 387 3HD2 LEU 55 3HD2 LEU 55 16.003 3.074 -16.592 388 H SER 56 HN SER 56 12.988 1.141 -20.468 389 HA SER 56 HA SER 56 12.468 3.942 -20.537 390 1HB SER 56 2HB SER 56 14.000 3.422 -22.188 391 2HB SER 56 3HB SER 56 13.332 1.826 -22.465 392 HG SER 56 HG SER 56 12.045 4.292 -23.280 393 H LEU 57 HN LEU 57 10.679 0.937 -20.818 394 HA LEU 57 HA LEU 57 8.524 2.073 -22.334 395 1HB LEU 57 2HB LEU 57 9.411 -0.396 -22.146 396 2HB LEU 57 3HB LEU 57 8.325 -0.469 -20.772 397 HG LEU 57 HG LEU 57 6.688 0.614 -22.685 398 1HD1 LEU 57 1HD1 LEU 57 8.874 -0.193 -24.169 399 2HD1 LEU 57 2HD1 LEU 57 7.742 -1.558 -24.331 400 3HD1 LEU 57 3HD1 LEU 57 7.226 0.085 -24.783 401 1HD2 LEU 57 1HD2 LEU 57 6.193 -1.229 -21.113 402 2HD2 LEU 57 2HD2 LEU 57 5.618 -1.554 -22.766 403 3HD2 LEU 57 3HD2 LEU 57 7.096 -2.343 -22.166 404 H ASN 58 HN ASN 58 9.643 2.721 -19.306 405 HA ASN 58 HA ASN 58 6.926 3.032 -18.291 406 1HB ASN 58 2HB ASN 58 8.519 1.485 -16.980 407 2HB ASN 58 3HB ASN 58 9.498 2.898 -16.637 408 1HD2 ASN 58 1HD2 ASN 58 9.101 2.503 -14.421 409 2HD2 ASN 58 2HD2 ASN 58 7.631 3.004 -13.654 410 H ASP 59 HN ASP 59 10.328 4.336 -18.222 411 HA ASP 59 HA ASP 59 9.422 6.871 -17.321 412 1HB ASP 59 2HB ASP 59 12.121 5.967 -18.430 413 2HB ASP 59 3HB ASP 59 11.832 7.522 -17.675 414 H CYS 60 HN CYS 60 11.136 5.621 -20.295 415 HA CYS 60 HA CYS 60 10.649 6.073 -22.444 416 1HB CYS 60 2HB CYS 60 8.391 7.126 -21.469 417 2HB CYS 60 3HB CYS 60 9.180 8.624 -21.919 418 HG CYS 60 HG CYS 60 8.612 5.928 -23.756 419 H PHE 61 HN PHE 61 13.059 6.429 -21.880 420 HA PHE 61 HA PHE 61 13.714 9.212 -22.509 421 1HB PHE 61 2HB PHE 61 15.718 8.797 -20.918 422 2HB PHE 61 3HB PHE 61 14.162 8.925 -20.123 423 HD1 PHE 61 HD1 PHE 61 16.403 6.326 -21.595 424 HD2 PHE 61 HD2 PHE 61 13.586 7.309 -18.577 425 HE1 PHE 61 HE1 PHE 61 16.766 4.084 -20.525 426 HE2 PHE 61 HE2 PHE 61 13.949 5.068 -17.508 427 HZ PHE 61 HZ PHE 61 15.535 3.482 -18.494 428 H VAL 62 HN VAL 62 16.551 8.827 -22.518 429 HA VAL 62 HA VAL 62 16.809 6.847 -24.676 430 HB VAL 62 HB VAL 62 18.179 9.530 -24.401 431 1HG1 VAL 62 1HG1 VAL 62 18.303 7.425 -26.586 432 2HG1 VAL 62 2HG1 VAL 62 18.984 9.065 -26.709 433 3HG1 VAL 62 3HG1 VAL 62 19.624 7.924 -25.502 434 1HG2 VAL 62 1HG2 VAL 62 16.289 8.851 -26.630 435 2HG2 VAL 62 2HG2 VAL 62 15.627 9.340 -25.051 436 3HG2 VAL 62 3HG2 VAL 62 16.717 10.434 -25.937 437 H LYS 63 HN LYS 63 18.993 5.882 -24.877 438 HA LYS 63 HA LYS 63 20.374 5.902 -22.283 439 1HB LYS 63 2HB LYS 63 20.079 3.707 -22.116 440 2HB LYS 63 3HB LYS 63 19.046 3.757 -23.531 441 1HG LYS 63 2HG LYS 63 21.187 3.620 -24.957 442 2HG LYS 63 3HG LYS 63 22.060 3.292 -23.473 443 1HD LYS 63 2HD LYS 63 19.608 1.635 -24.056 444 2HD LYS 63 3HD LYS 63 21.054 1.310 -24.990 445 1HE LYS 63 2HE LYS 63 22.204 1.384 -22.546 446 2HE LYS 63 3HE LYS 63 20.582 0.962 -22.034 447 1HZ LYS 63 1HZ LYS 63 20.980 -0.686 -24.097 448 2HZ LYS 63 2HZ LYS 63 22.484 -0.607 -23.466 449 3HZ LYS 63 3HZ LYS 63 21.232 -1.085 -22.533 450 H VAL 64 HN VAL 64 22.700 5.660 -22.350 451 HA VAL 64 HA VAL 64 23.837 6.164 -25.007 452 HB VAL 64 HB VAL 64 25.405 7.751 -23.893 453 1HG1 VAL 64 1HG1 VAL 64 22.445 8.418 -23.907 454 2HG1 VAL 64 2HG1 VAL 64 23.741 9.628 -23.753 455 3HG1 VAL 64 3HG1 VAL 64 23.615 8.640 -25.229 456 1HG2 VAL 64 1HG2 VAL 64 25.090 6.974 -21.574 457 2HG2 VAL 64 2HG2 VAL 64 24.803 8.724 -21.733 458 3HG2 VAL 64 3HG2 VAL 64 23.426 7.605 -21.593 459 H LEU 65 HN LEU 65 23.954 3.678 -24.605 460 HA LEU 65 HA LEU 65 25.892 2.847 -22.676 461 1HB LEU 65 2HB LEU 65 24.254 1.277 -23.050 462 2HB LEU 65 3HB LEU 65 24.217 1.551 -24.780 463 HG LEU 65 HG LEU 65 26.731 0.409 -23.666 464 1HD1 LEU 65 1HD1 LEU 65 24.431 -1.468 -24.124 465 2HD1 LEU 65 2HD1 LEU 65 25.954 -1.727 -23.240 466 3HD1 LEU 65 3HD1 LEU 65 24.675 -0.712 -22.531 467 1HD2 LEU 65 1HD2 LEU 65 25.801 0.896 -26.183 468 2HD2 LEU 65 2HD2 LEU 65 27.075 -0.277 -25.773 469 3HD2 LEU 65 3HD2 LEU 65 25.395 -0.825 -25.982 470 H ARG 66 HN ARG 66 27.974 1.860 -23.169 471 HA ARG 66 HA ARG 66 29.985 2.181 -23.961 472 1HB ARG 66 2HB ARG 66 29.051 0.346 -25.414 473 2HB ARG 66 3HB ARG 66 28.587 1.541 -26.608 474 1HG ARG 66 2HG ARG 66 31.264 2.166 -26.206 475 2HG ARG 66 3HG ARG 66 31.273 0.426 -25.998 476 1HD ARG 66 2HD ARG 66 29.649 0.738 -28.247 477 2HD ARG 66 3HD ARG 66 30.821 2.024 -28.456 478 HE ARG 66 HE ARG 66 32.335 -0.223 -27.730 479 1HH1 ARG 66 2HH2 ARG 66 30.113 0.608 -30.328 480 2HH1 ARG 66 1HH2 ARG 66 30.865 -0.443 -31.481 481 1HH2 ARG 66 2HH1 ARG 66 33.329 -1.610 -29.251 482 2HH2 ARG 66 1HH1 ARG 66 32.707 -1.713 -30.864 483 H ASP 67 HN ASP 67 29.744 4.609 -23.505 484 HA ASP 67 HA ASP 67 29.828 6.063 -26.032 485 1HB ASP 67 2HB ASP 67 27.926 6.823 -24.737 486 2HB ASP 67 3HB ASP 67 28.869 6.887 -23.262 487 HA PRO 68 HA PRO 68 33.869 7.158 -24.712 488 1HB PRO 68 2HB PRO 68 34.370 9.306 -26.325 489 2HB PRO 68 3HB PRO 68 34.526 7.646 -26.864 490 1HG PRO 68 2HG PRO 68 32.394 9.600 -27.475 491 2HG PRO 68 3HG PRO 68 32.797 8.117 -28.316 492 1HD PRO 68 2HD PRO 68 30.601 8.527 -26.517 493 2HD PRO 68 3HD PRO 68 31.073 7.016 -27.267 494 H SER 69 HN SER 69 32.608 7.648 -22.611 495 HA SER 69 HA SER 69 33.211 10.454 -22.102 496 1HB SER 69 2HB SER 69 30.651 9.228 -22.019 497 2HB SER 69 3HB SER 69 31.124 9.419 -20.342 498 HG SER 69 HG SER 69 31.240 11.629 -20.565 499 H ARG 70 HN ARG 70 32.767 7.114 -20.797 500 HA ARG 70 HA ARG 70 34.817 7.783 -18.854 501 1HB ARG 70 2HB ARG 70 32.193 6.306 -18.340 502 2HB ARG 70 3HB ARG 70 33.551 6.203 -17.237 503 1HG ARG 70 2HG ARG 70 33.096 8.245 -16.348 504 2HG ARG 70 3HG ARG 70 33.031 8.994 -17.931 505 1HD ARG 70 2HD ARG 70 30.690 8.341 -18.225 506 2HD ARG 70 3HD ARG 70 30.730 7.345 -16.785 507 HE ARG 70 HE ARG 70 31.441 9.810 -15.794 508 1HH1 ARG 70 2HH2 ARG 70 28.779 8.740 -17.833 509 2HH1 ARG 70 1HH2 ARG 70 27.690 9.965 -17.273 510 1HH2 ARG 70 2HH1 ARG 70 30.004 11.426 -15.055 511 2HH2 ARG 70 1HH1 ARG 70 28.391 11.503 -15.683 512 HA PRO 71 HA PRO 71 35.593 3.908 -21.196 513 1HB PRO 71 2HB PRO 71 37.892 4.644 -22.477 514 2HB PRO 71 3HB PRO 71 36.308 4.746 -23.218 515 1HG PRO 71 2HG PRO 71 37.997 6.924 -22.148 516 2HG PRO 71 3HG PRO 71 36.640 7.029 -23.252 517 1HD PRO 71 2HD PRO 71 36.633 7.675 -20.457 518 2HD PRO 71 3HD PRO 71 35.251 7.668 -21.535 519 H TRP 72 HN TRP 72 35.813 3.929 -18.605 520 HA TRP 72 HA TRP 72 38.649 3.283 -18.163 521 1HB TRP 72 2HB TRP 72 36.589 4.611 -16.458 522 2HB TRP 72 3HB TRP 72 37.790 3.601 -15.678 523 HD1 TRP 72 HD1 TRP 72 37.422 6.995 -17.364 524 HE1 TRP 72 HE1 TRP 72 39.631 8.427 -17.189 525 HE3 TRP 72 HE3 TRP 72 40.351 3.228 -15.606 526 HZ2 TRP 72 HZ2 TRP 72 42.296 7.838 -16.354 527 HZ3 TRP 72 HZ3 TRP 72 42.745 3.740 -15.137 528 HH2 TRP 72 HH2 TRP 72 43.726 5.952 -15.483 529 H GLY 73 HN GLY 73 35.190 2.409 -17.621 530 1HA GLY 73 1HA GLY 73 36.078 -0.327 -16.929 531 2HA GLY 73 2HA GLY 73 34.626 0.440 -16.316 532 H LYS 74 HN LYS 74 33.049 -0.937 -17.158 533 HA LYS 74 HA LYS 74 32.787 -0.831 -20.064 534 1HB LYS 74 2HB LYS 74 33.906 -2.994 -19.308 535 2HB LYS 74 3HB LYS 74 32.395 -3.403 -18.521 536 1HG LYS 74 2HG LYS 74 31.496 -4.069 -20.492 537 2HG LYS 74 3HG LYS 74 31.793 -2.494 -21.200 538 1HD LYS 74 2HD LYS 74 34.231 -4.181 -20.922 539 2HD LYS 74 3HD LYS 74 33.020 -4.845 -22.001 540 1HE LYS 74 2HE LYS 74 34.093 -3.486 -23.532 541 2HE LYS 74 3HE LYS 74 32.969 -2.296 -22.906 542 1HZ LYS 74 1HZ LYS 74 35.521 -1.870 -22.945 543 2HZ LYS 74 2HZ LYS 74 34.594 -1.280 -21.738 544 3HZ LYS 74 3HZ LYS 74 35.479 -2.631 -21.501 545 H ASP 75 HN ASP 75 31.613 0.470 -17.524 546 HA ASP 75 HA ASP 75 28.948 -0.586 -17.568 547 1HB ASP 75 2HB ASP 75 30.312 1.693 -16.077 548 2HB ASP 75 3HB ASP 75 28.583 1.431 -15.963 549 H ASN 76 HN ASN 76 27.209 1.475 -17.500 550 HA ASN 76 HA ASN 76 27.931 3.533 -19.325 551 1HB ASN 76 2HB ASN 76 25.698 2.767 -20.691 552 2HB ASN 76 3HB ASN 76 27.308 2.263 -21.165 553 1HD2 ASN 76 1HD2 ASN 76 24.473 1.381 -19.259 554 2HD2 ASN 76 2HD2 ASN 76 24.667 -0.339 -19.332 555 H TYR 77 HN TYR 77 25.794 4.936 -19.743 556 HA TYR 77 HA TYR 77 23.878 4.582 -17.561 557 1HB TYR 77 2HB TYR 77 24.187 7.186 -17.328 558 2HB TYR 77 3HB TYR 77 25.465 6.188 -16.664 559 HD1 TYR 77 HD1 TYR 77 24.744 8.927 -18.774 560 HD2 TYR 77 HD2 TYR 77 27.466 5.658 -18.320 561 HE1 TYR 77 HE1 TYR 77 26.449 10.137 -20.220 562 HE2 TYR 77 HE2 TYR 77 29.162 6.879 -19.768 563 HH TYR 77 HH TYR 77 29.150 9.987 -20.324 564 H TRP 78 HN TRP 78 21.917 6.001 -17.859 565 HA TRP 78 HA TRP 78 21.482 6.486 -20.728 566 1HB TRP 78 2HB TRP 78 19.373 5.664 -18.734 567 2HB TRP 78 3HB TRP 78 19.218 5.791 -20.475 568 HD1 TRP 78 HD1 TRP 78 22.295 4.151 -20.612 569 HE1 TRP 78 HE1 TRP 78 22.249 1.513 -20.571 570 HE3 TRP 78 HE3 TRP 78 17.588 3.739 -18.735 571 HZ2 TRP 78 HZ2 TRP 78 20.293 -0.407 -19.776 572 HZ3 TRP 78 HZ3 TRP 78 16.685 1.446 -18.356 573 HH2 TRP 78 HH2 TRP 78 17.956 -0.583 -18.844 574 H MET 79 HN MET 79 19.816 8.248 -21.123 575 HA MET 79 HA MET 79 19.976 10.209 -18.965 576 1HB MET 79 2HB MET 79 19.837 11.896 -20.941 577 2HB MET 79 3HB MET 79 21.348 11.023 -20.778 578 1HG MET 79 2HG MET 79 21.022 9.816 -22.719 579 2HG MET 79 3HG MET 79 19.300 9.639 -22.449 580 1HE MET 79 1HE MET 79 17.498 11.246 -23.181 581 2HE MET 79 2HE MET 79 18.139 12.460 -22.049 582 3HE MET 79 3HE MET 79 17.773 12.917 -23.729 583 H LEU 80 HN LEU 80 17.999 10.539 -18.050 584 HA LEU 80 HA LEU 80 15.685 10.447 -19.858 585 1HB LEU 80 2HB LEU 80 14.380 9.439 -18.167 586 2HB LEU 80 3HB LEU 80 15.838 8.486 -18.361 587 HG LEU 80 HG LEU 80 15.405 10.510 -16.148 588 1HD1 LEU 80 1HD1 LEU 80 13.832 8.844 -15.688 589 2HD1 LEU 80 2HD1 LEU 80 14.901 7.541 -16.260 590 3HD1 LEU 80 3HD1 LEU 80 15.256 8.375 -14.728 591 1HD2 LEU 80 1HD2 LEU 80 17.688 8.819 -16.980 592 2HD2 LEU 80 2HD2 LEU 80 17.654 10.366 -16.100 593 3HD2 LEU 80 3HD2 LEU 80 17.325 8.844 -15.238 594 H ASN 81 HN ASN 81 14.155 12.098 -19.655 595 HA ASN 81 HA ASN 81 14.608 14.005 -17.538 596 1HB ASN 81 2HB ASN 81 14.725 15.917 -19.060 597 2HB ASN 81 3HB ASN 81 15.955 14.770 -19.554 598 1HD2 ASN 81 1HD2 ASN 81 14.400 16.877 -20.986 599 2HD2 ASN 81 2HD2 ASN 81 13.715 16.110 -22.380 600 HA PRO 82 HA PRO 82 10.234 14.043 -17.931 601 1HB PRO 82 2HB PRO 82 9.608 16.224 -16.407 602 2HB PRO 82 3HB PRO 82 9.962 14.648 -15.726 603 1HG PRO 82 2HG PRO 82 11.662 17.066 -15.786 604 2HG PRO 82 3HG PRO 82 11.806 15.648 -14.766 605 1HD PRO 82 2HD PRO 82 13.405 16.280 -17.062 606 2HD PRO 82 3HD PRO 82 13.471 14.809 -16.112 Start of MODEL 6 1 H TYR 8 HN TYR 8 9.339 -1.569 -13.603 2 HA TYR 8 HA TYR 8 8.940 1.159 -12.985 3 1HB TYR 8 2HB TYR 8 11.135 -0.955 -12.962 4 2HB TYR 8 3HB TYR 8 11.625 0.709 -12.713 5 HD1 TYR 8 HD1 TYR 8 12.359 0.558 -10.453 6 HD2 TYR 8 HD2 TYR 8 8.435 -0.780 -11.511 7 HE1 TYR 8 HE1 TYR 8 11.754 0.363 -7.992 8 HE2 TYR 8 HE2 TYR 8 7.844 -0.971 -9.046 9 HH TYR 8 HH TYR 8 9.354 -1.376 -6.860 10 H ILE 9 HN ILE 9 10.767 -0.598 -15.554 11 HA ILE 9 HA ILE 9 12.038 1.698 -16.563 12 HB ILE 9 HB ILE 9 12.469 0.276 -18.530 13 1HG1 ILE 9 2HG1 ILE 9 10.846 -1.844 -17.094 14 2HG1 ILE 9 3HG1 ILE 9 10.261 -0.919 -18.463 15 1HG2 ILE 9 1HG2 ILE 9 14.130 -0.816 -17.465 16 2HG2 ILE 9 2HG2 ILE 9 13.570 0.137 -16.071 17 3HG2 ILE 9 3HG2 ILE 9 13.037 -1.550 -16.268 18 1HD1 ILE 9 1HD1 ILE 9 11.964 -3.252 -18.468 19 2HD1 ILE 9 2HD1 ILE 9 11.277 -2.379 -19.858 20 3HD1 ILE 9 3HD1 ILE 9 12.854 -1.890 -19.192 21 H ALA 10 HN ALA 10 8.926 0.042 -17.308 22 HA ALA 10 HA ALA 10 8.277 1.565 -19.547 23 1HB ALA 10 1HB ALA 10 6.335 0.371 -19.463 24 2HB ALA 10 2HB ALA 10 7.213 -0.572 -18.234 25 3HB ALA 10 3HB ALA 10 6.080 0.707 -17.734 26 H LEU 11 HN LEU 11 7.508 2.031 -16.033 27 HA LEU 11 HA LEU 11 5.999 4.329 -16.342 28 1HB LEU 11 2HB LEU 11 5.896 3.228 -14.297 29 2HB LEU 11 3HB LEU 11 7.638 3.169 -14.117 30 HG LEU 11 HG LEU 11 6.605 5.911 -14.211 31 1HD1 LEU 11 1HD1 LEU 11 5.222 5.988 -12.399 32 2HD1 LEU 11 2HD1 LEU 11 4.785 4.383 -13.032 33 3HD1 LEU 11 3HD1 LEU 11 5.912 4.523 -11.661 34 1HD2 LEU 11 1HD2 LEU 11 7.905 5.583 -11.824 35 2HD2 LEU 11 2HD2 LEU 11 8.653 4.319 -12.829 36 3HD2 LEU 11 3HD2 LEU 11 8.676 6.015 -13.369 37 H ILE 12 HN ILE 12 9.562 3.872 -16.010 38 HA ILE 12 HA ILE 12 10.161 6.607 -15.888 39 HB ILE 12 HB ILE 12 11.550 4.076 -16.043 40 1HG1 ILE 12 2HG1 ILE 12 13.287 5.527 -14.818 41 2HG1 ILE 12 3HG1 ILE 12 12.105 6.818 -14.904 42 1HG2 ILE 12 1HG2 ILE 12 12.446 4.578 -18.128 43 2HG2 ILE 12 2HG2 ILE 12 12.538 6.322 -17.785 44 3HG2 ILE 12 3HG2 ILE 12 13.674 5.199 -16.999 45 1HD1 ILE 12 1HD1 ILE 12 11.803 4.114 -13.538 46 2HD1 ILE 12 2HD1 ILE 12 11.738 5.730 -12.796 47 3HD1 ILE 12 3HD1 ILE 12 10.416 5.184 -13.854 48 H THR 13 HN THR 13 9.728 4.294 -18.607 49 HA THR 13 HA THR 13 10.661 5.955 -20.641 50 HB THR 13 HB THR 13 8.637 3.673 -20.480 51 HG1 THR 13 HG1 THR 13 10.897 3.188 -20.148 52 1HG2 THR 13 1HG2 THR 13 9.705 5.205 -22.898 53 2HG2 THR 13 2HG2 THR 13 9.171 3.511 -23.013 54 3HG2 THR 13 3HG2 THR 13 8.014 4.778 -22.540 55 H MET 14 HN MET 14 7.257 5.489 -19.470 56 HA MET 14 HA MET 14 6.233 7.434 -21.158 57 1HB MET 14 2HB MET 14 4.261 7.332 -19.563 58 2HB MET 14 3HB MET 14 4.821 5.742 -20.044 59 1HG MET 14 2HG MET 14 6.022 5.439 -17.939 60 2HG MET 14 3HG MET 14 5.763 7.112 -17.483 61 1HE MET 14 1HE MET 14 3.516 7.870 -16.063 62 2HE MET 14 2HE MET 14 3.150 6.459 -15.042 63 3HE MET 14 3HE MET 14 4.841 6.878 -15.407 64 H ALA 15 HN ALA 15 7.961 7.640 -18.092 65 HA ALA 15 HA ALA 15 7.003 10.225 -17.386 66 1HB ALA 15 1HB ALA 15 9.525 9.737 -16.193 67 2HB ALA 15 2HB ALA 15 7.918 9.493 -15.470 68 3HB ALA 15 3HB ALA 15 8.725 8.153 -16.319 69 H ILE 16 HN ILE 16 10.000 8.921 -18.954 70 HA ILE 16 HA ILE 16 11.043 11.540 -19.378 71 HB ILE 16 HB ILE 16 12.046 8.976 -19.311 72 1HG1 ILE 16 2HG1 ILE 16 13.127 11.159 -18.708 73 2HG1 ILE 16 3HG1 ILE 16 14.172 10.012 -19.524 74 1HG2 ILE 16 1HG2 ILE 16 13.169 8.691 -21.513 75 2HG2 ILE 16 2HG2 ILE 16 11.403 8.469 -21.571 76 3HG2 ILE 16 3HG2 ILE 16 12.131 9.981 -22.167 77 1HD1 ILE 16 1HD1 ILE 16 14.018 12.584 -20.294 78 2HD1 ILE 16 2HD1 ILE 16 14.292 11.275 -21.468 79 3HD1 ILE 16 3HD1 ILE 16 12.660 11.951 -21.255 80 H ARG 17 HN ARG 17 8.680 9.522 -20.925 81 HA ARG 17 HA ARG 17 9.100 10.475 -23.530 82 1HB ARG 17 2HB ARG 17 7.351 8.615 -22.184 83 2HB ARG 17 3HB ARG 17 6.337 9.704 -23.109 84 1HG ARG 17 2HG ARG 17 7.402 9.140 -25.176 85 2HG ARG 17 3HG ARG 17 8.797 8.447 -24.373 86 1HD ARG 17 2HD ARG 17 7.576 6.497 -23.678 87 2HD ARG 17 3HD ARG 17 6.025 7.250 -23.991 88 HE ARG 17 HE ARG 17 7.217 7.293 -26.478 89 1HH1 ARG 17 2HH2 ARG 17 6.688 4.745 -24.108 90 2HH1 ARG 17 1HH2 ARG 17 6.591 3.486 -25.295 91 1HH2 ARG 17 2HH1 ARG 17 7.088 5.633 -28.043 92 2HH2 ARG 17 1HH1 ARG 17 6.820 3.995 -27.548 93 H ASP 18 HN ASP 18 8.179 12.099 -20.765 94 HA ASP 18 HA ASP 18 5.926 13.493 -21.570 95 1HB ASP 18 2HB ASP 18 7.244 13.333 -19.260 96 2HB ASP 18 3HB ASP 18 8.085 14.750 -19.857 97 H SER 19 HN SER 19 9.138 13.482 -22.768 98 HA SER 19 HA SER 19 9.065 16.266 -23.539 99 1HB SER 19 2HB SER 19 11.364 16.077 -24.000 100 2HB SER 19 3HB SER 19 11.155 14.997 -22.635 101 HG SER 19 HG SER 19 11.974 13.467 -23.876 102 H ALA 20 HN ALA 20 10.825 15.433 -25.967 103 HA ALA 20 HA ALA 20 8.982 13.999 -27.643 104 1HB ALA 20 1HB ALA 20 9.419 16.990 -27.902 105 2HB ALA 20 2HB ALA 20 8.906 15.982 -29.276 106 3HB ALA 20 3HB ALA 20 7.880 16.099 -27.826 107 H GLY 21 HN GLY 21 11.799 13.902 -26.538 108 1HA GLY 21 1HA GLY 21 13.690 12.986 -27.425 109 2HA GLY 21 2HA GLY 21 13.091 13.278 -29.046 110 H GLY 22 HN GLY 22 13.414 15.670 -26.356 111 1HA GLY 22 1HA GLY 22 15.612 16.964 -27.834 112 2HA GLY 22 2HA GLY 22 14.178 17.877 -27.409 113 H ARG 23 HN ARG 23 13.491 17.666 -24.966 114 HA ARG 23 HA ARG 23 15.617 17.085 -23.194 115 1HB ARG 23 2HB ARG 23 15.948 19.343 -22.295 116 2HB ARG 23 3HB ARG 23 16.269 19.377 -24.017 117 1HG ARG 23 2HG ARG 23 14.032 20.302 -24.471 118 2HG ARG 23 3HG ARG 23 13.577 20.130 -22.787 119 1HD ARG 23 2HD ARG 23 15.040 21.875 -22.077 120 2HD ARG 23 3HD ARG 23 16.014 21.783 -23.531 121 HE ARG 23 HE ARG 23 13.338 22.464 -24.284 122 1HH1 ARG 23 2HH2 ARG 23 16.106 23.857 -22.616 123 2HH1 ARG 23 1HH2 ARG 23 15.690 25.489 -23.020 124 1HH2 ARG 23 2HH1 ARG 23 12.789 24.617 -24.818 125 2HH2 ARG 23 1HH1 ARG 23 13.791 25.924 -24.282 126 H LEU 24 HN LEU 24 14.876 17.145 -20.923 127 HA LEU 24 HA LEU 24 12.236 18.047 -20.343 128 1HB LEU 24 2HB LEU 24 11.112 16.245 -20.938 129 2HB LEU 24 3HB LEU 24 12.579 15.363 -21.313 130 HG LEU 24 HG LEU 24 11.364 15.600 -18.546 131 1HD1 LEU 24 1HD1 LEU 24 11.335 13.193 -20.381 132 2HD1 LEU 24 2HD1 LEU 24 10.536 13.375 -18.801 133 3HD1 LEU 24 3HD1 LEU 24 9.974 14.326 -20.196 134 1HD2 LEU 24 1HD2 LEU 24 13.962 14.747 -19.449 135 2HD2 LEU 24 2HD2 LEU 24 13.320 14.876 -17.793 136 3HD2 LEU 24 3HD2 LEU 24 13.085 13.377 -18.724 137 H THR 25 HN THR 25 11.769 17.895 -18.029 138 HA THR 25 HA THR 25 14.267 17.668 -16.507 139 HB THR 25 HB THR 25 13.421 19.416 -15.211 140 HG1 THR 25 HG1 THR 25 10.822 18.312 -16.022 141 1HG2 THR 25 1HG2 THR 25 12.408 21.048 -16.569 142 2HG2 THR 25 2HG2 THR 25 13.055 19.959 -17.819 143 3HG2 THR 25 3HG2 THR 25 11.338 19.866 -17.359 144 H LEU 26 HN LEU 26 14.644 15.850 -15.423 145 HA LEU 26 HA LEU 26 12.668 13.885 -15.105 146 1HB LEU 26 2HB LEU 26 15.494 14.253 -14.549 147 2HB LEU 26 3HB LEU 26 14.699 13.360 -13.268 148 HG LEU 26 HG LEU 26 15.708 11.930 -15.031 149 1HD1 LEU 26 1HD1 LEU 26 13.167 11.703 -13.806 150 2HD1 LEU 26 2HD1 LEU 26 13.004 11.080 -15.466 151 3HD1 LEU 26 3HD1 LEU 26 14.241 10.403 -14.379 152 1HD2 LEU 26 1HD2 LEU 26 14.989 11.865 -17.237 153 2HD2 LEU 26 2HD2 LEU 26 13.477 12.733 -16.881 154 3HD2 LEU 26 3HD2 LEU 26 15.026 13.609 -16.882 155 H ALA 27 HN ALA 27 13.583 16.721 -13.233 156 HA ALA 27 HA ALA 27 12.740 15.959 -10.715 157 1HB ALA 27 1HB ALA 27 12.517 18.369 -10.318 158 2HB ALA 27 2HB ALA 27 13.969 18.041 -11.295 159 3HB ALA 27 3HB ALA 27 12.498 18.675 -12.071 160 H GLU 28 HN GLU 28 10.869 17.403 -13.465 161 HA GLU 28 HA GLU 28 8.466 17.415 -12.037 162 1HB GLU 28 2HB GLU 28 9.273 18.604 -14.307 163 2HB GLU 28 3HB GLU 28 8.488 17.220 -15.042 164 1HG GLU 28 2HG GLU 28 6.360 17.823 -14.258 165 2HG GLU 28 3HG GLU 28 6.993 18.689 -12.873 166 H ILE 29 HN ILE 29 10.141 15.013 -14.080 167 HA ILE 29 HA ILE 29 7.978 13.317 -14.534 168 HB ILE 29 HB ILE 29 10.869 13.293 -14.822 169 1HG1 ILE 29 2HG1 ILE 29 10.298 12.078 -16.881 170 2HG1 ILE 29 3HG1 ILE 29 8.639 11.912 -16.344 171 1HG2 ILE 29 1HG2 ILE 29 9.482 10.765 -13.944 172 2HG2 ILE 29 2HG2 ILE 29 10.911 10.731 -15.005 173 3HG2 ILE 29 3HG2 ILE 29 11.023 11.458 -13.384 174 1HD1 ILE 29 1HD1 ILE 29 10.114 14.498 -16.992 175 2HD1 ILE 29 2HD1 ILE 29 8.704 13.811 -17.832 176 3HD1 ILE 29 3HD1 ILE 29 8.528 14.463 -16.185 177 H ASN 30 HN ASN 30 10.562 13.156 -11.980 178 HA ASN 30 HA ASN 30 9.403 11.031 -10.657 179 1HB ASN 30 2HB ASN 30 11.155 13.300 -9.574 180 2HB ASN 30 3HB ASN 30 10.828 11.814 -8.705 181 1HD2 ASN 30 1HD2 ASN 30 13.379 12.645 -9.335 182 2HD2 ASN 30 2HD2 ASN 30 14.104 11.564 -10.478 183 H GLU 31 HN GLU 31 8.809 14.539 -10.654 184 HA GLU 31 HA GLU 31 7.572 14.797 -8.213 185 1HB GLU 31 2HB GLU 31 8.271 16.671 -9.727 186 2HB GLU 31 3HB GLU 31 6.939 16.286 -10.799 187 1HG GLU 31 2HG GLU 31 5.337 17.143 -9.358 188 2HG GLU 31 3HG GLU 31 6.215 16.668 -7.918 189 H TYR 32 HN TYR 32 6.152 14.075 -11.476 190 HA TYR 32 HA TYR 32 3.538 13.704 -10.356 191 1HB TYR 32 2HB TYR 32 3.018 13.748 -12.647 192 2HB TYR 32 3HB TYR 32 4.655 14.353 -12.806 193 HD1 TYR 32 HD1 TYR 32 6.074 13.291 -14.308 194 HD2 TYR 32 HD2 TYR 32 2.837 11.072 -12.604 195 HE1 TYR 32 HE1 TYR 32 6.661 11.297 -15.772 196 HE2 TYR 32 HE2 TYR 32 3.435 9.086 -14.075 197 HH TYR 32 HH TYR 32 6.155 8.554 -15.364 198 H LEU 33 HN LEU 33 6.387 11.722 -11.001 199 HA LEU 33 HA LEU 33 5.147 9.251 -11.302 200 1HB LEU 33 2HB LEU 33 7.724 10.258 -11.249 201 2HB LEU 33 3HB LEU 33 7.680 9.200 -9.853 202 HG LEU 33 HG LEU 33 7.061 7.305 -11.217 203 1HD1 LEU 33 1HD1 LEU 33 6.587 9.386 -13.303 204 2HD1 LEU 33 2HD1 LEU 33 7.170 7.786 -13.824 205 3HD1 LEU 33 3HD1 LEU 33 5.654 7.924 -12.901 206 1HD2 LEU 33 1HD2 LEU 33 9.241 7.030 -11.509 207 2HD2 LEU 33 2HD2 LEU 33 9.120 7.920 -13.046 208 3HD2 LEU 33 3HD2 LEU 33 9.500 8.791 -11.541 209 H MET 34 HN MET 34 6.307 10.981 -8.337 210 HA MET 34 HA MET 34 5.299 8.899 -6.684 211 1HB MET 34 2HB MET 34 6.662 11.579 -6.339 212 2HB MET 34 3HB MET 34 5.795 10.946 -4.954 213 1HG MET 34 2HG MET 34 7.309 9.236 -4.612 214 2HG MET 34 3HG MET 34 7.541 8.954 -6.326 215 1HE MET 34 1HE MET 34 7.486 12.034 -4.268 216 2HE MET 34 2HE MET 34 8.885 11.522 -3.294 217 3HE MET 34 3HE MET 34 9.065 12.822 -4.496 218 H GLY 35 HN GLY 35 4.008 11.751 -8.205 219 1HA GLY 35 1HA GLY 35 1.957 12.269 -6.249 220 2HA GLY 35 2HA GLY 35 2.136 12.989 -7.837 221 H LYS 36 HN LYS 36 2.283 10.524 -9.392 222 HA LYS 36 HA LYS 36 -0.539 9.947 -9.439 223 1HB LYS 36 2HB LYS 36 1.677 9.916 -11.301 224 2HB LYS 36 3HB LYS 36 0.824 8.387 -11.355 225 1HG LYS 36 2HG LYS 36 -0.397 9.703 -12.885 226 2HG LYS 36 3HG LYS 36 -1.360 9.829 -11.427 227 1HD LYS 36 2HD LYS 36 -0.919 12.064 -11.172 228 2HD LYS 36 3HD LYS 36 0.774 11.879 -11.586 229 1HE LYS 36 2HE LYS 36 0.266 11.853 -13.977 230 2HE LYS 36 3HE LYS 36 -1.456 11.762 -13.667 231 1HZ LYS 36 1HZ LYS 36 -0.500 13.961 -12.307 232 2HZ LYS 36 2HZ LYS 36 0.150 14.030 -13.804 233 3HZ LYS 36 3HZ LYS 36 -1.471 13.946 -13.620 234 H PHE 37 HN PHE 37 2.547 8.355 -8.570 235 HA PHE 37 HA PHE 37 0.993 5.987 -7.814 236 1HB PHE 37 2HB PHE 37 4.004 6.469 -8.240 237 2HB PHE 37 3HB PHE 37 3.288 4.908 -7.892 238 HD1 PHE 37 HD1 PHE 37 2.961 7.678 -10.379 239 HD2 PHE 37 HD2 PHE 37 2.876 3.495 -9.666 240 HE1 PHE 37 HE1 PHE 37 2.668 7.265 -12.838 241 HE2 PHE 37 HE2 PHE 37 2.583 3.082 -12.125 242 HZ PHE 37 HZ PHE 37 2.482 4.972 -13.681 243 HA PRO 38 HA PRO 38 1.860 7.522 -3.766 244 1HB PRO 38 2HB PRO 38 -0.057 6.071 -2.466 245 2HB PRO 38 3HB PRO 38 -0.362 7.645 -3.174 246 1HG PRO 38 2HG PRO 38 -1.165 4.979 -4.167 247 2HG PRO 38 3HG PRO 38 -1.802 6.551 -4.606 248 1HD PRO 38 2HD PRO 38 0.000 4.938 -6.148 249 2HD PRO 38 3HD PRO 38 -0.546 6.559 -6.532 250 H PHE 39 HN PHE 39 1.687 4.228 -4.815 251 HA PHE 39 HA PHE 39 2.678 2.988 -2.575 252 1HB PHE 39 2HB PHE 39 3.440 2.456 -5.505 253 2HB PHE 39 3HB PHE 39 3.349 1.257 -4.229 254 HD1 PHE 39 HD1 PHE 39 0.731 2.092 -2.994 255 HD2 PHE 39 HD2 PHE 39 1.889 1.609 -7.047 256 HE1 PHE 39 HE1 PHE 39 -1.652 1.608 -3.617 257 HE2 PHE 39 HE2 PHE 39 -0.493 1.125 -7.671 258 HZ PHE 39 HZ PHE 39 -2.235 1.130 -5.948 259 H PHE 40 HN PHE 40 4.407 4.772 -5.179 260 HA PHE 40 HA PHE 40 6.975 4.023 -4.187 261 1HB PHE 40 2HB PHE 40 5.693 5.757 -6.297 262 2HB PHE 40 3HB PHE 40 7.292 6.270 -5.796 263 HD1 PHE 40 HD1 PHE 40 6.047 4.946 -8.456 264 HD2 PHE 40 HD2 PHE 40 8.573 3.620 -5.315 265 HE1 PHE 40 HE1 PHE 40 7.072 3.251 -9.997 266 HE2 PHE 40 HE2 PHE 40 9.599 1.925 -6.856 267 HZ PHE 40 HZ PHE 40 8.837 1.760 -9.179 268 H ARG 41 HN ARG 41 4.724 6.789 -3.812 269 HA ARG 41 HA ARG 41 6.697 8.334 -2.476 270 1HB ARG 41 2HB ARG 41 4.608 9.141 -3.859 271 2HB ARG 41 3HB ARG 41 3.696 8.845 -2.392 272 1HG ARG 41 2HG ARG 41 5.731 10.285 -1.315 273 2HG ARG 41 3HG ARG 41 5.790 10.932 -2.942 274 1HD ARG 41 2HD ARG 41 4.080 12.314 -2.359 275 2HD ARG 41 3HD ARG 41 3.037 10.906 -2.343 276 HE ARG 41 HE ARG 41 4.368 10.918 0.148 277 1HH1 ARG 41 2HH2 ARG 41 2.137 12.997 -1.607 278 2HH1 ARG 41 1HH2 ARG 41 1.417 13.651 -0.174 279 1HH2 ARG 41 2HH1 ARG 41 3.419 11.779 2.040 280 2HH2 ARG 41 1HH1 ARG 41 2.151 12.953 1.915 281 H GLY 42 HN GLY 42 5.249 5.553 -1.573 282 1HA GLY 42 1HA GLY 42 4.811 6.419 1.223 283 2HA GLY 42 2HA GLY 42 3.945 5.110 0.444 284 H SER 43 HN SER 43 6.144 3.912 -1.014 285 HA SER 43 HA SER 43 7.183 2.350 1.068 286 1HB SER 43 2HB SER 43 7.549 2.487 -1.925 287 2HB SER 43 3HB SER 43 8.677 1.526 -0.990 288 HG SER 43 HG SER 43 5.793 1.246 -0.903 289 H TYR 44 HN TYR 44 9.084 4.040 -1.530 290 HA TYR 44 HA TYR 44 10.603 5.572 0.294 291 1HB TYR 44 2HB TYR 44 12.590 4.215 0.361 292 2HB TYR 44 3HB TYR 44 11.321 3.016 0.516 293 HD1 TYR 44 HD1 TYR 44 14.317 3.656 -1.070 294 HD2 TYR 44 HD2 TYR 44 10.378 2.242 -1.957 295 HE1 TYR 44 HE1 TYR 44 15.207 2.442 -3.120 296 HE2 TYR 44 HE2 TYR 44 11.281 1.032 -4.003 297 HH TYR 44 HH TYR 44 14.730 0.852 -4.615 298 H THR 45 HN THR 45 11.208 7.330 -0.865 299 HA THR 45 HA THR 45 11.263 7.074 -3.770 300 HB THR 45 HB THR 45 11.199 9.579 -3.631 301 HG1 THR 45 HG1 THR 45 12.423 9.753 -1.638 302 1HG2 THR 45 1HG2 THR 45 8.971 8.642 -3.495 303 2HG2 THR 45 2HG2 THR 45 9.252 8.050 -1.840 304 3HG2 THR 45 3HG2 THR 45 9.088 9.796 -2.145 305 H GLY 46 HN GLY 46 13.380 5.777 -2.237 306 1HA GLY 46 1HA GLY 46 15.681 7.531 -2.755 307 2HA GLY 46 2HA GLY 46 15.666 6.071 -1.786 308 H TRP 47 HN TRP 47 14.289 6.608 -5.092 309 HA TRP 47 HA TRP 47 16.242 4.644 -6.080 310 1HB TRP 47 2HB TRP 47 14.292 4.093 -7.720 311 2HB TRP 47 3HB TRP 47 14.381 3.343 -6.138 312 HD1 TRP 47 HD1 TRP 47 12.163 3.493 -4.762 313 HE1 TRP 47 HE1 TRP 47 9.930 4.899 -4.761 314 HE3 TRP 47 HE3 TRP 47 13.568 6.707 -8.443 315 HZ2 TRP 47 HZ2 TRP 47 9.022 7.147 -6.266 316 HZ3 TRP 47 HZ3 TRP 47 11.949 8.478 -9.118 317 HH2 TRP 47 HH2 TRP 47 9.744 8.727 -8.094 318 H ARG 48 HN ARG 48 15.445 7.826 -5.968 319 HA ARG 48 HA ARG 48 15.025 8.684 -8.484 320 1HB ARG 48 2HB ARG 48 15.409 9.954 -6.171 321 2HB ARG 48 3HB ARG 48 17.059 10.112 -6.741 322 1HG ARG 48 2HG ARG 48 16.000 11.020 -8.958 323 2HG ARG 48 3HG ARG 48 14.524 11.192 -8.028 324 1HD ARG 48 2HD ARG 48 17.174 12.378 -7.090 325 2HD ARG 48 3HD ARG 48 16.079 13.260 -8.136 326 HE ARG 48 HE ARG 48 14.469 12.372 -6.027 327 1HH1 ARG 48 2HH2 ARG 48 17.376 14.334 -6.318 328 2HH1 ARG 48 1HH2 ARG 48 17.033 15.280 -4.908 329 1HH2 ARG 48 2HH1 ARG 48 14.016 13.619 -4.166 330 2HH2 ARG 48 1HH1 ARG 48 15.109 14.870 -3.676 331 H ASN 49 HN ASN 49 18.061 7.514 -6.979 332 HA ASN 49 HA ASN 49 19.657 8.354 -9.168 333 1HB ASN 49 2HB ASN 49 21.389 6.827 -7.988 334 2HB ASN 49 3HB ASN 49 20.788 8.181 -7.052 335 1HD2 ASN 49 1HD2 ASN 49 19.238 7.854 -5.431 336 2HD2 ASN 49 2HD2 ASN 49 19.000 6.315 -4.673 337 H SER 50 HN SER 50 18.431 5.204 -7.811 338 HA SER 50 HA SER 50 19.536 3.537 -9.657 339 1HB SER 50 2HB SER 50 17.714 1.953 -9.043 340 2HB SER 50 3HB SER 50 18.414 2.729 -7.637 341 HG SER 50 HG SER 50 16.115 2.745 -7.480 342 H VAL 51 HN VAL 51 16.415 5.360 -9.770 343 HA VAL 51 HA VAL 51 15.599 4.250 -12.240 344 HB VAL 51 HB VAL 51 14.714 6.279 -10.317 345 1HG1 VAL 51 1HG1 VAL 51 14.888 7.802 -12.172 346 2HG1 VAL 51 2HG1 VAL 51 14.107 6.637 -13.269 347 3HG1 VAL 51 3HG1 VAL 51 13.171 7.386 -11.953 348 1HG2 VAL 51 1HG2 VAL 51 12.525 5.308 -10.802 349 2HG2 VAL 51 2HG2 VAL 51 13.207 4.414 -12.183 350 3HG2 VAL 51 3HG2 VAL 51 13.728 4.025 -10.526 351 H ARG 52 HN ARG 52 17.023 7.467 -11.322 352 HA ARG 52 HA ARG 52 17.160 8.543 -13.771 353 1HB ARG 52 2HB ARG 52 17.890 9.977 -12.067 354 2HB ARG 52 3HB ARG 52 18.870 8.744 -11.299 355 1HG ARG 52 2HG ARG 52 20.553 8.902 -13.112 356 2HG ARG 52 3HG ARG 52 19.555 10.060 -13.970 357 1HD ARG 52 2HD ARG 52 20.881 10.458 -11.247 358 2HD ARG 52 3HD ARG 52 21.288 11.279 -12.741 359 HE ARG 52 HE ARG 52 19.356 12.641 -12.527 360 1HH1 ARG 52 2HH2 ARG 52 19.407 10.137 -10.055 361 2HH1 ARG 52 1HH2 ARG 52 18.146 10.862 -9.114 362 1HH2 ARG 52 2HH1 ARG 52 17.693 13.598 -11.285 363 2HH2 ARG 52 1HH1 ARG 52 17.165 12.844 -9.818 364 H HIS 53 HN HIS 53 19.107 5.904 -12.416 365 HA HIS 53 HA HIS 53 21.145 6.073 -14.399 366 1HB HIS 53 2HB HIS 53 20.743 4.748 -11.932 367 2HB HIS 53 3HB HIS 53 20.950 3.485 -13.129 368 HD1 HIS 53 HD1 HIS 53 22.733 6.705 -12.045 369 HD2 HIS 53 HD2 HIS 53 23.567 2.949 -13.716 370 HE1 HIS 53 HE1 HIS 53 25.274 6.550 -12.224 371 H ASN 54 HN ASN 54 18.339 3.858 -13.758 372 HA ASN 54 HA ASN 54 18.744 2.364 -16.061 373 1HB ASN 54 2HB ASN 54 16.863 2.479 -13.880 374 2HB ASN 54 3HB ASN 54 15.921 2.482 -15.358 375 1HD2 ASN 54 1HD2 ASN 54 15.937 0.744 -16.729 376 2HD2 ASN 54 2HD2 ASN 54 16.599 -0.803 -16.321 377 H LEU 55 HN LEU 55 17.525 5.571 -15.486 378 HA LEU 55 HA LEU 55 15.775 5.645 -17.763 379 1HB LEU 55 2HB LEU 55 15.776 6.980 -15.470 380 2HB LEU 55 3HB LEU 55 16.769 8.095 -16.387 381 HG LEU 55 HG LEU 55 13.882 7.564 -16.536 382 1HD1 LEU 55 1HD1 LEU 55 15.283 9.943 -17.706 383 2HD1 LEU 55 2HD1 LEU 55 13.725 9.839 -16.851 384 3HD1 LEU 55 3HD1 LEU 55 15.250 9.717 -15.940 385 1HD2 LEU 55 1HD2 LEU 55 14.285 6.519 -18.611 386 2HD2 LEU 55 2HD2 LEU 55 13.809 8.190 -18.999 387 3HD2 LEU 55 3HD2 LEU 55 15.523 7.714 -19.068 388 H SER 56 HN SER 56 19.043 6.920 -16.867 389 HA SER 56 HA SER 56 19.457 8.153 -19.324 390 1HB SER 56 2HB SER 56 21.151 8.949 -18.059 391 2HB SER 56 3HB SER 56 20.922 7.679 -16.873 392 HG SER 56 HG SER 56 23.051 7.915 -18.269 393 H LEU 57 HN LEU 57 20.221 4.868 -18.042 394 HA LEU 57 HA LEU 57 21.546 4.114 -20.479 395 1HB LEU 57 2HB LEU 57 22.264 2.307 -19.349 396 2HB LEU 57 3HB LEU 57 21.930 3.358 -17.987 397 HG LEU 57 HG LEU 57 19.582 2.203 -17.988 398 1HD1 LEU 57 1HD1 LEU 57 19.265 0.677 -19.572 399 2HD1 LEU 57 2HD1 LEU 57 20.981 0.708 -20.045 400 3HD1 LEU 57 3HD1 LEU 57 20.443 -0.349 -18.718 401 1HD2 LEU 57 1HD2 LEU 57 22.180 1.070 -16.975 402 2HD2 LEU 57 2HD2 LEU 57 20.903 1.940 -16.091 403 3HD2 LEU 57 3HD2 LEU 57 20.628 0.268 -16.637 404 H ASN 58 HN ASN 58 18.398 4.792 -19.808 405 HA ASN 58 HA ASN 58 17.210 2.455 -20.893 406 1HB ASN 58 2HB ASN 58 16.321 4.669 -19.409 407 2HB ASN 58 3HB ASN 58 15.614 4.959 -20.986 408 1HD2 ASN 58 1HD2 ASN 58 14.319 3.313 -21.965 409 2HD2 ASN 58 2HD2 ASN 58 13.430 2.184 -20.998 410 H ASP 59 HN ASP 59 16.987 5.947 -21.926 411 HA ASP 59 HA ASP 59 16.560 5.134 -24.612 412 1HB ASP 59 2HB ASP 59 16.469 7.633 -23.016 413 2HB ASP 59 3HB ASP 59 17.049 7.885 -24.651 414 H CYS 60 HN CYS 60 19.172 6.534 -22.578 415 HA CYS 60 HA CYS 60 21.381 6.368 -22.918 416 1HB CYS 60 2HB CYS 60 20.642 4.727 -24.951 417 2HB CYS 60 3HB CYS 60 21.333 6.047 -25.873 418 HG CYS 60 HG CYS 60 23.468 6.179 -24.076 419 H PHE 61 HN PHE 61 20.262 8.718 -22.507 420 HA PHE 61 HA PHE 61 21.209 10.439 -24.690 421 1HB PHE 61 2HB PHE 61 19.470 12.045 -23.548 422 2HB PHE 61 3HB PHE 61 18.817 10.715 -24.483 423 HD1 PHE 61 HD1 PHE 61 17.013 9.669 -23.526 424 HD2 PHE 61 HD2 PHE 61 20.029 11.223 -20.978 425 HE1 PHE 61 HE1 PHE 61 15.717 8.895 -21.521 426 HE2 PHE 61 HE2 PHE 61 18.734 10.449 -18.972 427 HZ PHE 61 HZ PHE 61 16.593 9.294 -19.268 428 H VAL 62 HN VAL 62 21.112 12.896 -23.333 429 HA VAL 62 HA VAL 62 23.050 12.442 -21.170 430 HB VAL 62 HB VAL 62 23.925 13.316 -23.387 431 1HG1 VAL 62 1HG1 VAL 62 23.547 15.592 -24.001 432 2HG1 VAL 62 2HG1 VAL 62 21.947 14.848 -23.762 433 3HG1 VAL 62 3HG1 VAL 62 22.630 15.913 -22.509 434 1HG2 VAL 62 1HG2 VAL 62 25.293 15.134 -22.236 435 2HG2 VAL 62 2HG2 VAL 62 24.305 14.822 -20.788 436 3HG2 VAL 62 3HG2 VAL 62 25.312 13.525 -21.474 437 H LYS 63 HN LYS 63 22.908 13.828 -19.338 438 HA LYS 63 HA LYS 63 20.412 15.377 -19.255 439 1HB LYS 63 2HB LYS 63 20.060 14.687 -17.005 440 2HB LYS 63 3HB LYS 63 20.353 13.241 -17.949 441 1HG LYS 63 2HG LYS 63 22.747 14.562 -16.689 442 2HG LYS 63 3HG LYS 63 21.636 13.735 -15.616 443 1HD LYS 63 2HD LYS 63 22.016 11.994 -17.851 444 2HD LYS 63 3HD LYS 63 23.607 12.596 -17.431 445 1HE LYS 63 2HE LYS 63 21.862 11.739 -15.142 446 2HE LYS 63 3HE LYS 63 22.453 10.464 -16.189 447 1HZ LYS 63 1HZ LYS 63 23.852 11.417 -14.203 448 2HZ LYS 63 2HZ LYS 63 24.561 10.830 -15.552 449 3HZ LYS 63 3HZ LYS 63 24.382 12.442 -15.358 450 H VAL 64 HN VAL 64 20.482 17.180 -17.585 451 HA VAL 64 HA VAL 64 23.197 18.156 -17.147 452 HB VAL 64 HB VAL 64 22.921 19.402 -19.003 453 1HG1 VAL 64 1HG1 VAL 64 20.840 18.322 -19.705 454 2HG1 VAL 64 2HG1 VAL 64 19.911 19.360 -18.596 455 3HG1 VAL 64 3HG1 VAL 64 20.764 20.079 -19.983 456 1HG2 VAL 64 1HG2 VAL 64 22.716 20.874 -16.848 457 2HG2 VAL 64 2HG2 VAL 64 22.448 21.604 -18.449 458 3HG2 VAL 64 3HG2 VAL 64 21.058 21.163 -17.428 459 H LEU 65 HN LEU 65 23.036 17.826 -14.922 460 HA LEU 65 HA LEU 65 20.688 18.845 -13.568 461 1HB LEU 65 2HB LEU 65 21.251 17.504 -11.857 462 2HB LEU 65 3HB LEU 65 22.082 16.647 -13.139 463 HG LEU 65 HG LEU 65 23.453 18.686 -11.373 464 1HD1 LEU 65 1HD1 LEU 65 23.162 17.236 -9.694 465 2HD1 LEU 65 2HD1 LEU 65 22.659 15.920 -10.781 466 3HD1 LEU 65 3HD1 LEU 65 24.389 16.253 -10.529 467 1HD2 LEU 65 1HD2 LEU 65 24.987 18.462 -12.997 468 2HD2 LEU 65 2HD2 LEU 65 25.356 16.918 -12.193 469 3HD2 LEU 65 3HD2 LEU 65 24.277 16.949 -13.608 470 H ARG 66 HN ARG 66 20.532 20.938 -12.992 471 HA ARG 66 HA ARG 66 21.054 22.939 -12.371 472 1HB ARG 66 2HB ARG 66 22.062 21.966 -10.368 473 2HB ARG 66 3HB ARG 66 23.533 21.563 -11.232 474 1HG ARG 66 2HG ARG 66 23.858 24.069 -11.660 475 2HG ARG 66 3HG ARG 66 22.510 24.364 -10.579 476 1HD ARG 66 2HD ARG 66 24.345 24.531 -9.112 477 2HD ARG 66 3HD ARG 66 23.847 22.869 -8.867 478 HE ARG 66 HE ARG 66 25.850 23.248 -10.996 479 1HH1 ARG 66 2HH2 ARG 66 25.289 22.554 -7.592 480 2HH1 ARG 66 1HH2 ARG 66 26.836 21.810 -7.358 481 1HH2 ARG 66 2HH1 ARG 66 27.890 22.266 -10.688 482 2HH2 ARG 66 1HH1 ARG 66 28.325 21.645 -9.130 483 H ASP 67 HN ASP 67 21.405 24.304 -14.105 484 HA ASP 67 HA ASP 67 23.892 25.145 -14.795 485 1HB ASP 67 2HB ASP 67 23.362 22.621 -15.991 486 2HB ASP 67 3HB ASP 67 23.116 23.788 -17.275 487 HA PRO 68 HA PRO 68 20.492 26.461 -17.881 488 1HB PRO 68 2HB PRO 68 18.113 25.117 -17.950 489 2HB PRO 68 3HB PRO 68 19.442 24.769 -19.038 490 1HG PRO 68 2HG PRO 68 18.515 23.228 -16.691 491 2HG PRO 68 3HG PRO 68 19.534 22.703 -18.016 492 1HD PRO 68 2HD PRO 68 20.384 23.385 -15.363 493 2HD PRO 68 3HD PRO 68 21.414 22.973 -16.720 494 H SER 69 HN SER 69 18.965 25.159 -14.987 495 HA SER 69 HA SER 69 17.723 27.772 -14.686 496 1HB SER 69 2HB SER 69 16.729 25.134 -14.370 497 2HB SER 69 3HB SER 69 16.867 25.765 -12.741 498 HG SER 69 HG SER 69 15.045 26.406 -14.717 499 H ARG 70 HN ARG 70 20.250 25.692 -13.536 500 HA ARG 70 HA ARG 70 21.458 25.627 -11.709 501 1HB ARG 70 2HB ARG 70 21.313 28.651 -12.156 502 2HB ARG 70 3HB ARG 70 22.521 27.868 -11.156 503 1HG ARG 70 2HG ARG 70 22.214 26.770 -13.927 504 2HG ARG 70 3HG ARG 70 22.872 28.391 -13.818 505 1HD ARG 70 2HD ARG 70 23.961 25.939 -12.350 506 2HD ARG 70 3HD ARG 70 24.676 26.670 -13.773 507 HE ARG 70 HE ARG 70 25.331 28.580 -12.464 508 1HH1 ARG 70 2HH2 ARG 70 23.674 26.128 -10.560 509 2HH1 ARG 70 1HH2 ARG 70 24.210 26.764 -9.040 510 1HH2 ARG 70 2HH1 ARG 70 26.038 29.420 -10.459 511 2HH2 ARG 70 1HH1 ARG 70 25.563 28.649 -8.982 512 HA PRO 71 HA PRO 71 18.122 26.863 -8.799 513 1HB PRO 71 2HB PRO 71 17.266 24.377 -8.054 514 2HB PRO 71 3HB PRO 71 16.487 25.323 -9.307 515 1HG PRO 71 2HG PRO 71 18.258 22.973 -9.589 516 2HG PRO 71 3HG PRO 71 17.150 23.659 -10.760 517 1HD PRO 71 2HD PRO 71 20.004 23.940 -10.729 518 2HD PRO 71 3HD PRO 71 18.887 24.720 -11.830 519 H TRP 72 HN TRP 72 17.713 25.549 -6.438 520 HA TRP 72 HA TRP 72 20.390 25.847 -5.324 521 1HB TRP 72 2HB TRP 72 19.188 25.890 -3.158 522 2HB TRP 72 3HB TRP 72 18.753 27.184 -4.256 523 HD1 TRP 72 HD1 TRP 72 17.242 24.100 -2.555 524 HE1 TRP 72 HE1 TRP 72 14.619 24.027 -2.832 525 HE3 TRP 72 HE3 TRP 72 16.961 27.931 -5.887 526 HZ2 TRP 72 HZ2 TRP 72 12.762 25.545 -4.378 527 HZ3 TRP 72 HZ3 TRP 72 14.705 28.573 -6.731 528 HH2 TRP 72 HH2 TRP 72 12.651 27.448 -6.029 529 H GLY 73 HN GLY 73 19.476 23.506 -7.015 530 1HA GLY 73 1HA GLY 73 20.025 21.303 -6.970 531 2HA GLY 73 2HA GLY 73 20.450 21.434 -5.275 532 H LYS 74 HN LYS 74 17.764 20.992 -7.597 533 HA LYS 74 HA LYS 74 16.404 19.301 -5.785 534 1HB LYS 74 2HB LYS 74 15.905 21.773 -5.027 535 2HB LYS 74 3HB LYS 74 14.805 21.770 -6.391 536 1HG LYS 74 2HG LYS 74 13.378 20.219 -5.426 537 2HG LYS 74 3HG LYS 74 14.675 19.357 -4.623 538 1HD LYS 74 2HD LYS 74 13.969 20.383 -2.715 539 2HD LYS 74 3HD LYS 74 14.756 21.820 -3.337 540 1HE LYS 74 2HE LYS 74 12.765 22.874 -3.652 541 2HE LYS 74 3HE LYS 74 12.118 21.521 -4.559 542 1HZ LYS 74 1HZ LYS 74 10.879 21.871 -2.561 543 2HZ LYS 74 2HZ LYS 74 11.648 20.434 -2.454 544 3HZ LYS 74 3HZ LYS 74 12.211 21.725 -1.629 545 H ASP 75 HN ASP 75 16.283 21.429 -8.691 546 HA ASP 75 HA ASP 75 14.934 19.210 -10.019 547 1HB ASP 75 2HB ASP 75 14.721 22.212 -10.541 548 2HB ASP 75 3HB ASP 75 14.034 20.995 -11.599 549 H ASN 76 HN ASN 76 15.689 18.775 -12.235 550 HA ASN 76 HA ASN 76 18.021 20.309 -13.027 551 1HB ASN 76 2HB ASN 76 18.846 17.870 -13.851 552 2HB ASN 76 3HB ASN 76 19.233 18.473 -12.252 553 1HD2 ASN 76 1HD2 ASN 76 19.306 16.589 -11.178 554 2HD2 ASN 76 2HD2 ASN 76 17.961 15.529 -10.920 555 H TYR 77 HN TYR 77 18.654 19.362 -15.432 556 HA TYR 77 HA TYR 77 16.112 18.929 -16.852 557 1HB TYR 77 2HB TYR 77 18.351 20.903 -17.028 558 2HB TYR 77 3HB TYR 77 18.014 20.148 -18.573 559 HD1 TYR 77 HD1 TYR 77 16.302 21.928 -15.758 560 HD2 TYR 77 HD2 TYR 77 16.300 20.985 -19.931 561 HE1 TYR 77 HE1 TYR 77 14.365 23.533 -16.127 562 HE2 TYR 77 HE2 TYR 77 14.363 22.593 -20.286 563 HH TYR 77 HH TYR 77 12.420 23.598 -18.024 564 H TRP 78 HN TRP 78 16.113 17.439 -18.558 565 HA TRP 78 HA TRP 78 18.635 15.955 -18.866 566 1HB TRP 78 2HB TRP 78 15.789 14.983 -18.707 567 2HB TRP 78 3HB TRP 78 17.054 14.025 -19.451 568 HD1 TRP 78 HD1 TRP 78 17.532 16.074 -16.177 569 HE1 TRP 78 HE1 TRP 78 18.170 14.488 -14.167 570 HE3 TRP 78 HE3 TRP 78 16.978 11.723 -18.750 571 HZ2 TRP 78 HZ2 TRP 78 18.368 11.655 -13.885 572 HZ3 TRP 78 HZ3 TRP 78 17.413 9.591 -17.533 573 HH2 TRP 78 HH2 TRP 78 18.086 9.511 -15.184 574 H MET 79 HN MET 79 19.275 15.497 -21.006 575 HA MET 79 HA MET 79 17.544 16.691 -23.033 576 1HB MET 79 2HB MET 79 19.609 18.015 -22.715 577 2HB MET 79 3HB MET 79 20.601 16.573 -22.808 578 1HG MET 79 2HG MET 79 19.123 16.494 -25.200 579 2HG MET 79 3HG MET 79 19.462 18.201 -24.992 580 1HE MET 79 1HE MET 79 22.167 15.071 -26.552 581 2HE MET 79 2HE MET 79 20.501 14.878 -25.957 582 3HE MET 79 3HE MET 79 20.837 15.968 -27.323 583 H LEU 80 HN LEU 80 16.533 14.958 -24.003 584 HA LEU 80 HA LEU 80 18.303 12.785 -24.885 585 1HB LEU 80 2HB LEU 80 16.490 11.234 -24.584 586 2HB LEU 80 3HB LEU 80 16.869 12.041 -23.076 587 HG LEU 80 HG LEU 80 14.661 13.174 -24.744 588 1HD1 LEU 80 1HD1 LEU 80 13.955 10.961 -24.926 589 2HD1 LEU 80 2HD1 LEU 80 14.545 10.532 -23.302 590 3HD1 LEU 80 3HD1 LEU 80 13.100 11.556 -23.483 591 1HD2 LEU 80 1HD2 LEU 80 15.311 12.969 -21.807 592 2HD2 LEU 80 2HD2 LEU 80 15.099 14.421 -22.815 593 3HD2 LEU 80 3HD2 LEU 80 13.689 13.424 -22.383 594 H ASN 81 HN ASN 81 18.178 12.184 -27.036 595 HA ASN 81 HA ASN 81 16.052 13.403 -28.577 596 1HB ASN 81 2HB ASN 81 17.586 14.299 -30.243 597 2HB ASN 81 3HB ASN 81 18.136 14.879 -28.683 598 1HD2 ASN 81 1HD2 ASN 81 19.808 14.838 -30.828 599 2HD2 ASN 81 2HD2 ASN 81 21.059 13.658 -30.626 600 HA PRO 82 HA PRO 82 16.361 9.549 -30.647 601 1HB PRO 82 2HB PRO 82 15.408 10.109 -33.146 602 2HB PRO 82 3HB PRO 82 14.368 9.864 -31.757 603 1HG PRO 82 2HG PRO 82 15.086 12.392 -33.111 604 2HG PRO 82 3HG PRO 82 13.751 12.071 -32.022 605 1HD PRO 82 2HD PRO 82 16.186 13.451 -31.393 606 2HD PRO 82 3HD PRO 82 14.902 13.029 -30.277 Start of MODEL 7 1 H TYR 8 HN TYR 8 -6.979 -3.823 6.201 2 HA TYR 8 HA TYR 8 -7.467 -4.296 8.967 3 1HB TYR 8 2HB TYR 8 -5.960 -5.521 6.610 4 2HB TYR 8 3HB TYR 8 -5.655 -6.171 8.208 5 HD1 TYR 8 HD1 TYR 8 -8.826 -5.020 6.557 6 HD2 TYR 8 HD2 TYR 8 -6.679 -8.252 8.360 7 HE1 TYR 8 HE1 TYR 8 -10.877 -6.508 6.349 8 HE2 TYR 8 HE2 TYR 8 -8.737 -9.729 8.146 9 HH TYR 8 HH TYR 8 -11.464 -8.760 6.276 10 H ILE 9 HN ILE 9 -4.531 -3.537 6.975 11 HA ILE 9 HA ILE 9 -2.709 -3.657 9.059 12 HB ILE 9 HB ILE 9 -1.360 -2.128 7.570 13 1HG1 ILE 9 2HG1 ILE 9 -3.271 -2.542 5.348 14 2HG1 ILE 9 3HG1 ILE 9 -3.763 -1.354 6.538 15 1HG2 ILE 9 1HG2 ILE 9 -2.509 -4.575 6.208 16 2HG2 ILE 9 2HG2 ILE 9 -0.894 -3.858 5.989 17 3HG2 ILE 9 3HG2 ILE 9 -1.323 -4.631 7.534 18 1HD1 ILE 9 1HD1 ILE 9 -2.479 -0.137 4.929 19 2HD1 ILE 9 2HD1 ILE 9 -1.389 -0.352 6.319 20 3HD1 ILE 9 3HD1 ILE 9 -1.212 -1.386 4.881 21 H ALA 10 HN ALA 10 -5.081 -1.184 8.139 22 HA ALA 10 HA ALA 10 -3.917 0.915 9.629 23 1HB ALA 10 1HB ALA 10 -5.734 2.119 8.894 24 2HB ALA 10 2HB ALA 10 -5.821 0.770 7.736 25 3HB ALA 10 3HB ALA 10 -6.872 0.779 9.173 26 H LEU 11 HN LEU 11 -6.605 -1.433 10.297 27 HA LEU 11 HA LEU 11 -7.219 -0.526 12.826 28 1HB LEU 11 2HB LEU 11 -8.619 -2.259 12.875 29 2HB LEU 11 3HB LEU 11 -8.190 -2.397 11.181 30 HG LEU 11 HG LEU 11 -6.395 -4.061 11.897 31 1HD1 LEU 11 1HD1 LEU 11 -7.570 -5.076 14.226 32 2HD1 LEU 11 2HD1 LEU 11 -5.987 -4.278 14.069 33 3HD1 LEU 11 3HD1 LEU 11 -7.426 -3.323 14.499 34 1HD2 LEU 11 1HD2 LEU 11 -8.504 -4.695 10.797 35 2HD2 LEU 11 2HD2 LEU 11 -7.954 -5.922 11.963 36 3HD2 LEU 11 3HD2 LEU 11 -9.287 -4.822 12.391 37 H ILE 12 HN ILE 12 -4.785 -3.002 11.793 38 HA ILE 12 HA ILE 12 -3.929 -3.588 14.392 39 HB ILE 12 HB ILE 12 -3.084 -4.129 11.631 40 1HG1 ILE 12 2HG1 ILE 12 -2.572 -6.375 12.930 41 2HG1 ILE 12 3HG1 ILE 12 -3.551 -5.635 14.182 42 1HG2 ILE 12 1HG2 ILE 12 -0.852 -5.026 12.435 43 2HG2 ILE 12 2HG2 ILE 12 -0.980 -3.260 12.259 44 3HG2 ILE 12 3HG2 ILE 12 -1.064 -4.001 13.875 45 1HD1 ILE 12 1HD1 ILE 12 -4.549 -7.051 12.025 46 2HD1 ILE 12 2HD1 ILE 12 -5.484 -5.884 12.992 47 3HD1 ILE 12 3HD1 ILE 12 -4.719 -5.368 11.470 48 H THR 13 HN THR 13 -2.845 -1.177 11.938 49 HA THR 13 HA THR 13 -0.593 -0.262 13.258 50 HB THR 13 HB THR 13 -2.646 1.080 11.430 51 HG1 THR 13 HG1 THR 13 0.041 -0.090 11.251 52 1HG2 THR 13 1HG2 THR 13 0.178 1.992 12.199 53 2HG2 THR 13 2HG2 THR 13 -0.836 2.720 10.929 54 3HG2 THR 13 3HG2 THR 13 -1.324 2.841 12.637 55 H MET 14 HN MET 14 -4.032 0.783 13.640 56 HA MET 14 HA MET 14 -3.294 2.668 15.621 57 1HB MET 14 2HB MET 14 -5.791 2.896 15.866 58 2HB MET 14 3HB MET 14 -5.302 2.962 14.184 59 1HG MET 14 2HG MET 14 -5.979 0.654 13.804 60 2HG MET 14 3HG MET 14 -6.192 0.366 15.520 61 1HE MET 14 1HE MET 14 -9.199 -0.352 14.376 62 2HE MET 14 2HE MET 14 -8.124 -0.391 15.795 63 3HE MET 14 3HE MET 14 -9.651 0.521 15.860 64 H ALA 15 HN ALA 15 -3.843 -0.757 15.572 65 HA ALA 15 HA ALA 15 -4.816 -0.967 18.251 66 1HB ALA 15 1HB ALA 15 -4.589 -2.612 15.964 67 2HB ALA 15 2HB ALA 15 -3.563 -3.368 17.206 68 3HB ALA 15 3HB ALA 15 -5.281 -3.049 17.544 69 H ILE 16 HN ILE 16 -1.650 -1.483 16.562 70 HA ILE 16 HA ILE 16 -0.315 -2.072 19.008 71 HB ILE 16 HB ILE 16 0.872 -1.307 16.342 72 1HG1 ILE 16 2HG1 ILE 16 -0.799 -3.103 16.065 73 2HG1 ILE 16 3HG1 ILE 16 0.835 -3.638 15.729 74 1HG2 ILE 16 1HG2 ILE 16 2.380 -3.283 17.685 75 2HG2 ILE 16 2HG2 ILE 16 2.816 -1.587 17.368 76 3HG2 ILE 16 3HG2 ILE 16 1.995 -2.026 18.885 77 1HD1 ILE 16 1HD1 ILE 16 -0.905 -4.954 17.399 78 2HD1 ILE 16 2HD1 ILE 16 0.866 -5.093 17.500 79 3HD1 ILE 16 3HD1 ILE 16 0.000 -3.963 18.568 80 H ARG 17 HN ARG 17 -1.038 0.828 17.084 81 HA ARG 17 HA ARG 17 0.893 2.480 18.090 82 1HB ARG 17 2HB ARG 17 -1.652 2.736 16.665 83 2HB ARG 17 3HB ARG 17 -1.475 4.049 17.812 84 1HG ARG 17 2HG ARG 17 0.333 4.971 16.701 85 2HG ARG 17 3HG ARG 17 0.976 3.412 16.222 86 1HD ARG 17 2HD ARG 17 0.202 3.993 14.140 87 2HD ARG 17 3HD ARG 17 -1.344 3.436 14.751 88 HE ARG 17 HE ARG 17 -2.097 5.645 14.741 89 1HH1 ARG 17 2HH2 ARG 17 1.422 5.654 14.774 90 2HH1 ARG 17 1HH2 ARG 17 1.546 7.373 14.602 91 1HH2 ARG 17 2HH1 ARG 17 -1.933 7.913 14.514 92 2HH2 ARG 17 1HH1 ARG 17 -0.375 8.666 14.453 93 H ASP 18 HN ASP 18 -1.739 0.937 19.707 94 HA ASP 18 HA ASP 18 -2.525 2.828 21.516 95 1HB ASP 18 2HB ASP 18 -3.462 0.478 21.142 96 2HB ASP 18 3HB ASP 18 -2.118 -0.145 22.078 97 H SER 19 HN SER 19 0.457 0.948 21.209 98 HA SER 19 HA SER 19 1.229 1.379 23.926 99 1HB SER 19 2HB SER 19 3.249 0.541 21.883 100 2HB SER 19 3HB SER 19 2.964 -0.090 23.493 101 HG SER 19 HG SER 19 2.318 -1.398 21.441 102 H ALA 20 HN ALA 20 4.138 1.807 23.037 103 HA ALA 20 HA ALA 20 4.218 4.298 21.687 104 1HB ALA 20 1HB ALA 20 5.276 5.136 24.136 105 2HB ALA 20 2HB ALA 20 3.726 5.646 23.425 106 3HB ALA 20 3HB ALA 20 3.773 4.293 24.581 107 H GLY 21 HN GLY 21 5.382 1.564 21.662 108 1HA GLY 21 1HA GLY 21 7.452 0.874 20.964 109 2HA GLY 21 2HA GLY 21 8.165 2.372 21.528 110 H GLY 22 HN GLY 22 6.080 0.014 23.324 111 1HA GLY 22 1HA GLY 22 8.398 -0.726 24.973 112 2HA GLY 22 2HA GLY 22 6.994 -0.017 25.746 113 H ARG 23 HN ARG 23 4.798 -1.093 25.220 114 HA ARG 23 HA ARG 23 4.942 -3.766 24.309 115 1HB ARG 23 2HB ARG 23 4.376 -4.915 26.361 116 2HB ARG 23 3HB ARG 23 5.764 -3.912 26.730 117 1HG ARG 23 2HG ARG 23 4.553 -3.015 28.427 118 2HG ARG 23 3HG ARG 23 3.581 -2.206 27.214 119 1HD ARG 23 2HD ARG 23 1.994 -4.088 27.148 120 2HD ARG 23 3HD ARG 23 3.013 -5.039 28.209 121 HE ARG 23 HE ARG 23 2.459 -2.598 29.554 122 1HH1 ARG 23 2HH2 ARG 23 0.721 -5.438 28.416 123 2HH1 ARG 23 1HH2 ARG 23 -0.508 -5.331 29.633 124 1HH2 ARG 23 2HH1 ARG 23 0.839 -2.456 31.159 125 2HH2 ARG 23 1HH1 ARG 23 -0.440 -3.623 31.203 126 H LEU 24 HN LEU 24 2.694 -4.791 24.325 127 HA LEU 24 HA LEU 24 0.521 -3.003 24.953 128 1HB LEU 24 2HB LEU 24 0.241 -2.148 22.949 129 2HB LEU 24 3HB LEU 24 1.632 -3.026 22.346 130 HG LEU 24 HG LEU 24 -0.923 -4.545 22.543 131 1HD1 LEU 24 1HD1 LEU 24 -0.627 -2.071 20.957 132 2HD1 LEU 24 2HD1 LEU 24 -1.229 -3.487 20.063 133 3HD1 LEU 24 3HD1 LEU 24 -2.088 -2.921 21.515 134 1HD2 LEU 24 1HD2 LEU 24 0.028 -5.166 20.156 135 2HD2 LEU 24 2HD2 LEU 24 1.536 -4.517 20.845 136 3HD2 LEU 24 3HD2 LEU 24 0.705 -5.874 21.643 137 H THR 25 HN THR 25 -1.601 -4.126 24.751 138 HA THR 25 HA THR 25 -1.204 -7.027 25.053 139 HB THR 25 HB THR 25 -3.191 -6.885 26.543 140 HG1 THR 25 HG1 THR 25 -4.028 -5.002 25.219 141 1HG2 THR 25 1HG2 THR 25 -0.729 -5.334 27.027 142 2HG2 THR 25 2HG2 THR 25 -2.129 -4.639 27.878 143 3HG2 THR 25 3HG2 THR 25 -1.666 -6.334 28.163 144 H LEU 26 HN LEU 26 -1.694 -8.127 23.261 145 HA LEU 26 HA LEU 26 -3.249 -7.087 21.200 146 1HB LEU 26 2HB LEU 26 -2.006 -9.665 21.910 147 2HB LEU 26 3HB LEU 26 -3.381 -9.777 20.829 148 HG LEU 26 HG LEU 26 -1.306 -9.687 19.576 149 1HD1 LEU 26 1HD1 LEU 26 -2.315 -6.981 18.952 150 2HD1 LEU 26 2HD1 LEU 26 -2.154 -8.422 17.920 151 3HD1 LEU 26 3HD1 LEU 26 -3.546 -8.265 19.018 152 1HD2 LEU 26 1HD2 LEU 26 0.275 -7.942 19.672 153 2HD2 LEU 26 2HD2 LEU 26 -0.800 -6.908 20.642 154 3HD2 LEU 26 3HD2 LEU 26 -0.076 -8.364 21.365 155 H ALA 27 HN ALA 27 -4.074 -8.869 24.165 156 HA ALA 27 HA ALA 27 -6.619 -9.719 23.433 157 1HB ALA 27 1HB ALA 27 -6.974 -9.590 25.984 158 2HB ALA 27 2HB ALA 27 -5.637 -10.610 25.401 159 3HB ALA 27 3HB ALA 27 -5.298 -8.994 26.065 160 H GLU 28 HN GLU 28 -5.538 -6.681 25.108 161 HA GLU 28 HA GLU 28 -8.102 -5.612 25.218 162 1HB GLU 28 2HB GLU 28 -5.818 -4.955 26.414 163 2HB GLU 28 3HB GLU 28 -5.647 -3.858 25.058 164 1HG GLU 28 2HG GLU 28 -8.362 -3.759 26.191 165 2HG GLU 28 3HG GLU 28 -7.147 -3.405 27.403 166 H ILE 29 HN ILE 29 -5.397 -5.244 22.847 167 HA ILE 29 HA ILE 29 -6.548 -3.283 21.275 168 HB ILE 29 HB ILE 29 -4.305 -5.034 21.211 169 1HG1 ILE 29 2HG1 ILE 29 -3.296 -3.255 19.969 170 2HG1 ILE 29 3HG1 ILE 29 -4.851 -2.634 19.451 171 1HG2 ILE 29 1HG2 ILE 29 -5.818 -4.876 18.591 172 2HG2 ILE 29 2HG2 ILE 29 -4.112 -5.357 18.755 173 3HG2 ILE 29 3HG2 ILE 29 -5.390 -6.342 19.506 174 1HD1 ILE 29 1HD1 ILE 29 -3.555 -1.559 21.529 175 2HD1 ILE 29 2HD1 ILE 29 -5.331 -1.679 21.520 176 3HD1 ILE 29 3HD1 ILE 29 -4.363 -2.876 22.414 177 H ASN 30 HN ASN 30 -7.246 -6.747 21.576 178 HA ASN 30 HA ASN 30 -8.628 -6.938 19.145 179 1HB ASN 30 2HB ASN 30 -7.735 -8.909 20.425 180 2HB ASN 30 3HB ASN 30 -8.887 -8.598 21.708 181 1HD2 ASN 30 1HD2 ASN 30 -8.298 -10.108 18.744 182 2HD2 ASN 30 2HD2 ASN 30 -9.889 -10.690 18.384 183 H GLU 31 HN GLU 31 -9.651 -6.698 22.639 184 HA GLU 31 HA GLU 31 -12.360 -6.548 22.110 185 1HB GLU 31 2HB GLU 31 -11.340 -7.058 24.334 186 2HB GLU 31 3HB GLU 31 -10.809 -5.394 24.471 187 1HG GLU 31 2HG GLU 31 -13.103 -4.575 24.505 188 2HG GLU 31 3HG GLU 31 -13.736 -6.148 24.065 189 H TYR 32 HN TYR 32 -9.779 -4.178 21.832 190 HA TYR 32 HA TYR 32 -11.531 -1.904 21.950 191 1HB TYR 32 2HB TYR 32 -9.333 -1.288 22.510 192 2HB TYR 32 3HB TYR 32 -8.652 -2.660 21.657 193 HD1 TYR 32 HD1 TYR 32 -7.508 -2.332 19.639 194 HD2 TYR 32 HD2 TYR 32 -10.186 0.698 21.036 195 HE1 TYR 32 HE1 TYR 32 -6.738 -0.783 17.776 196 HE2 TYR 32 HE2 TYR 32 -9.407 2.237 19.168 197 HH TYR 32 HH TYR 32 -6.667 1.845 17.537 198 H LEU 33 HN LEU 33 -9.673 -3.672 19.380 199 HA LEU 33 HA LEU 33 -10.519 -2.050 17.280 200 1HB LEU 33 2HB LEU 33 -8.799 -3.275 16.569 201 2HB LEU 33 3HB LEU 33 -9.149 -4.606 17.654 202 HG LEU 33 HG LEU 33 -9.245 -5.269 15.294 203 1HD1 LEU 33 1HD1 LEU 33 -12.097 -5.511 16.032 204 2HD1 LEU 33 2HD1 LEU 33 -10.889 -6.763 15.654 205 3HD1 LEU 33 3HD1 LEU 33 -10.931 -6.027 17.274 206 1HD2 LEU 33 1HD2 LEU 33 -9.972 -3.682 13.882 207 2HD2 LEU 33 2HD2 LEU 33 -11.580 -4.359 14.231 208 3HD2 LEU 33 3HD2 LEU 33 -11.012 -2.917 15.106 209 H MET 34 HN MET 34 -11.991 -4.912 18.869 210 HA MET 34 HA MET 34 -13.977 -5.277 16.951 211 1HB MET 34 2HB MET 34 -13.431 -6.102 19.797 212 2HB MET 34 3HB MET 34 -15.099 -6.239 19.277 213 1HG MET 34 2HG MET 34 -14.234 -7.528 17.220 214 2HG MET 34 3HG MET 34 -12.663 -7.560 17.995 215 1HE MET 34 1HE MET 34 -13.828 -11.104 18.349 216 2HE MET 34 2HE MET 34 -15.241 -10.359 17.564 217 3HE MET 34 3HE MET 34 -13.597 -9.868 17.089 218 H GLY 35 HN GLY 35 -13.943 -3.487 20.106 219 1HA GLY 35 1HA GLY 35 -16.636 -2.637 19.970 220 2HA GLY 35 2HA GLY 35 -15.362 -1.971 20.974 221 H LYS 36 HN LYS 36 -13.924 -1.811 18.039 222 HA LYS 36 HA LYS 36 -15.023 0.863 17.536 223 1HB LYS 36 2HB LYS 36 -12.252 -0.297 17.254 224 2HB LYS 36 3HB LYS 36 -12.725 1.144 16.376 225 1HG LYS 36 2HG LYS 36 -13.582 1.356 19.158 226 2HG LYS 36 3HG LYS 36 -11.874 0.972 19.091 227 1HD LYS 36 2HD LYS 36 -11.317 3.025 18.245 228 2HD LYS 36 3HD LYS 36 -12.653 3.026 17.111 229 1HE LYS 36 2HE LYS 36 -12.952 3.583 20.101 230 2HE LYS 36 3HE LYS 36 -12.808 4.833 18.881 231 1HZ LYS 36 1HZ LYS 36 -14.762 3.293 17.905 232 2HZ LYS 36 2HZ LYS 36 -15.044 3.182 19.510 233 3HZ LYS 36 3HZ LYS 36 -15.002 4.646 18.788 234 H PHE 37 HN PHE 37 -14.528 -2.373 16.287 235 HA PHE 37 HA PHE 37 -15.580 -1.436 13.712 236 1HB PHE 37 2HB PHE 37 -13.505 -3.556 14.492 237 2HB PHE 37 3HB PHE 37 -14.288 -3.607 12.925 238 HD1 PHE 37 HD1 PHE 37 -12.641 -0.999 15.047 239 HD2 PHE 37 HD2 PHE 37 -13.038 -2.753 11.203 240 HE1 PHE 37 HE1 PHE 37 -10.934 0.602 14.140 241 HE2 PHE 37 HE2 PHE 37 -11.330 -1.152 10.296 242 HZ PHE 37 HZ PHE 37 -10.299 0.506 11.776 243 HA PRO 38 HA PRO 38 -18.616 -4.312 15.232 244 1HB PRO 38 2HB PRO 38 -20.773 -3.155 14.015 245 2HB PRO 38 3HB PRO 38 -20.233 -2.720 15.624 246 1HG PRO 38 2HG PRO 38 -19.911 -1.225 13.095 247 2HG PRO 38 3HG PRO 38 -19.771 -0.641 14.741 248 1HD PRO 38 2HD PRO 38 -17.618 -1.222 12.936 249 2HD PRO 38 3HD PRO 38 -17.478 -0.750 14.618 250 H PHE 39 HN PHE 39 -18.075 -3.211 11.978 251 HA PHE 39 HA PHE 39 -19.524 -5.231 10.714 252 1HB PHE 39 2HB PHE 39 -17.185 -3.377 10.113 253 2HB PHE 39 3HB PHE 39 -17.555 -4.624 8.940 254 HD1 PHE 39 HD1 PHE 39 -19.469 -4.455 7.519 255 HD2 PHE 39 HD2 PHE 39 -18.857 -1.610 10.607 256 HE1 PHE 39 HE1 PHE 39 -21.243 -2.988 6.518 257 HE2 PHE 39 HE2 PHE 39 -20.631 -0.142 9.606 258 HZ PHE 39 HZ PHE 39 -21.803 -0.849 7.574 259 H PHE 40 HN PHE 40 -16.241 -5.129 12.119 260 HA PHE 40 HA PHE 40 -15.396 -7.531 10.852 261 1HB PHE 40 2HB PHE 40 -14.192 -5.414 12.082 262 2HB PHE 40 3HB PHE 40 -14.314 -6.456 13.485 263 HD1 PHE 40 HD1 PHE 40 -12.113 -7.086 13.910 264 HD2 PHE 40 HD2 PHE 40 -13.615 -7.402 9.954 265 HE1 PHE 40 HE1 PHE 40 -10.017 -8.275 13.210 266 HE2 PHE 40 HE2 PHE 40 -11.518 -8.592 9.253 267 HZ PHE 40 HZ PHE 40 -9.744 -9.014 10.890 268 H ARG 41 HN ARG 41 -17.216 -6.694 13.767 269 HA ARG 41 HA ARG 41 -16.746 -9.284 14.899 270 1HB ARG 41 2HB ARG 41 -17.045 -7.031 16.194 271 2HB ARG 41 3HB ARG 41 -18.759 -7.212 15.877 272 1HG ARG 41 2HG ARG 41 -18.571 -9.571 16.914 273 2HG ARG 41 3HG ARG 41 -16.962 -9.117 17.440 274 1HD ARG 41 2HD ARG 41 -17.817 -7.314 18.821 275 2HD ARG 41 3HD ARG 41 -19.411 -7.425 18.103 276 HE ARG 41 HE ARG 41 -18.292 -9.193 20.170 277 1HH1 ARG 41 2HH2 ARG 41 -20.790 -8.790 17.724 278 2HH1 ARG 41 1HH2 ARG 41 -21.860 -9.946 18.445 279 1HH2 ARG 41 2HH1 ARG 41 -19.704 -10.717 21.120 280 2HH2 ARG 41 1HH1 ARG 41 -21.238 -11.049 20.389 281 H GLY 42 HN GLY 42 -18.269 -8.685 12.239 282 1HA GLY 42 1HA GLY 42 -20.560 -10.418 12.853 283 2HA GLY 42 2HA GLY 42 -20.850 -8.888 12.049 284 H SER 43 HN SER 43 -18.290 -11.464 11.760 285 HA SER 43 HA SER 43 -19.202 -12.038 9.116 286 1HB SER 43 2HB SER 43 -16.411 -10.879 9.543 287 2HB SER 43 3HB SER 43 -17.003 -11.554 8.038 288 HG SER 43 HG SER 43 -18.077 -9.240 9.415 289 H TYR 44 HN TYR 44 -16.036 -12.283 10.903 290 HA TYR 44 HA TYR 44 -16.495 -15.015 11.579 291 1HB TYR 44 2HB TYR 44 -14.740 -15.896 10.054 292 2HB TYR 44 3HB TYR 44 -15.923 -15.044 9.082 293 HD1 TYR 44 HD1 TYR 44 -15.359 -12.414 8.780 294 HD2 TYR 44 HD2 TYR 44 -12.502 -15.490 9.608 295 HE1 TYR 44 HE1 TYR 44 -13.508 -10.966 7.810 296 HE2 TYR 44 HE2 TYR 44 -10.661 -14.031 8.634 297 HH TYR 44 HH TYR 44 -11.069 -10.754 8.068 298 H THR 45 HN THR 45 -15.773 -14.790 13.658 299 HA THR 45 HA THR 45 -13.560 -13.081 14.271 300 HB THR 45 HB THR 45 -14.027 -13.957 16.586 301 HG1 THR 45 HG1 THR 45 -15.772 -15.587 16.637 302 1HG2 THR 45 1HG2 THR 45 -15.617 -12.277 16.348 303 2HG2 THR 45 2HG2 THR 45 -16.199 -12.917 14.792 304 3HG2 THR 45 3HG2 THR 45 -16.733 -13.663 16.317 305 H GLY 46 HN GLY 46 -12.384 -14.462 12.403 306 1HA GLY 46 1HA GLY 46 -10.640 -16.304 13.902 307 2HA GLY 46 2HA GLY 46 -11.331 -16.801 12.370 308 H TRP 47 HN TRP 47 -10.530 -13.387 12.938 309 HA TRP 47 HA TRP 47 -8.435 -13.644 10.911 310 1HB TRP 47 2HB TRP 47 -8.737 -11.027 11.067 311 2HB TRP 47 3HB TRP 47 -9.777 -12.036 10.081 312 HD1 TRP 47 HD1 TRP 47 -12.320 -11.586 10.464 313 HE1 TRP 47 HE1 TRP 47 -13.891 -10.553 12.314 314 HE3 TRP 47 HE3 TRP 47 -8.649 -10.817 13.897 315 HZ2 TRP 47 HZ2 TRP 47 -13.433 -9.552 14.947 316 HZ3 TRP 47 HZ3 TRP 47 -9.296 -9.808 16.083 317 HH2 TRP 47 HH2 TRP 47 -11.594 -9.182 16.632 318 H ARG 48 HN ARG 48 -8.858 -13.688 14.245 319 HA ARG 48 HA ARG 48 -7.012 -11.863 15.140 320 1HB ARG 48 2HB ARG 48 -8.143 -14.459 16.202 321 2HB ARG 48 3HB ARG 48 -6.789 -13.746 17.054 322 1HG ARG 48 2HG ARG 48 -8.000 -11.732 17.538 323 2HG ARG 48 3HG ARG 48 -9.224 -12.075 16.332 324 1HD ARG 48 2HD ARG 48 -10.458 -12.910 18.063 325 2HD ARG 48 3HD ARG 48 -9.416 -14.315 17.965 326 HE ARG 48 HE ARG 48 -8.019 -12.460 19.553 327 1HH1 ARG 48 2HH2 ARG 48 -11.100 -14.153 19.707 328 2HH1 ARG 48 1HH2 ARG 48 -11.149 -14.170 21.439 329 1HH2 ARG 48 2HH1 ARG 48 -8.083 -12.483 21.837 330 2HH2 ARG 48 1HH1 ARG 48 -9.421 -13.214 22.658 331 H ASN 49 HN ASN 49 -6.652 -15.057 13.636 332 HA ASN 49 HA ASN 49 -4.018 -15.481 14.525 333 1HB ASN 49 2HB ASN 49 -5.948 -17.026 13.281 334 2HB ASN 49 3HB ASN 49 -4.878 -16.707 11.931 335 1HD2 ASN 49 1HD2 ASN 49 -4.960 -19.192 12.437 336 2HD2 ASN 49 2HD2 ASN 49 -3.620 -19.805 13.348 337 H SER 50 HN SER 50 -5.531 -14.527 11.344 338 HA SER 50 HA SER 50 -3.112 -14.060 10.068 339 1HB SER 50 2HB SER 50 -5.830 -12.806 9.479 340 2HB SER 50 3HB SER 50 -4.485 -12.908 8.360 341 HG SER 50 HG SER 50 -4.763 -15.399 9.052 342 H VAL 51 HN VAL 51 -5.259 -12.029 12.089 343 HA VAL 51 HA VAL 51 -4.083 -9.561 11.445 344 HB VAL 51 HB VAL 51 -5.752 -10.634 13.700 345 1HG1 VAL 51 1HG1 VAL 51 -5.868 -7.967 14.159 346 2HG1 VAL 51 2HG1 VAL 51 -4.790 -9.077 15.039 347 3HG1 VAL 51 3HG1 VAL 51 -4.164 -8.126 13.670 348 1HG2 VAL 51 1HG2 VAL 51 -7.507 -9.468 12.721 349 2HG2 VAL 51 2HG2 VAL 51 -6.425 -8.327 11.886 350 3HG2 VAL 51 3HG2 VAL 51 -6.575 -10.002 11.302 351 H ARG 52 HN ARG 52 -3.616 -11.771 14.297 352 HA ARG 52 HA ARG 52 -1.631 -10.316 15.456 353 1HB ARG 52 2HB ARG 52 -2.531 -13.170 15.520 354 2HB ARG 52 3HB ARG 52 -0.901 -12.897 16.104 355 1HG ARG 52 2HG ARG 52 -1.766 -11.138 17.670 356 2HG ARG 52 3HG ARG 52 -3.395 -11.432 17.094 357 1HD ARG 52 2HD ARG 52 -1.668 -13.647 18.287 358 2HD ARG 52 3HD ARG 52 -2.710 -12.640 19.273 359 HE ARG 52 HE ARG 52 -4.205 -13.698 17.045 360 1HH1 ARG 52 2HH2 ARG 52 -2.811 -14.656 20.131 361 2HH1 ARG 52 1HH2 ARG 52 -3.946 -15.939 20.390 362 1HH2 ARG 52 2HH1 ARG 52 -5.701 -15.391 17.386 363 2HH2 ARG 52 1HH1 ARG 52 -5.601 -16.360 18.818 364 H HIS 53 HN HIS 53 -1.446 -12.910 12.942 365 HA HIS 53 HA HIS 53 1.291 -13.188 12.868 366 1HB HIS 53 2HB HIS 53 -0.996 -13.936 11.264 367 2HB HIS 53 3HB HIS 53 0.336 -13.474 10.224 368 HD1 HIS 53 HD1 HIS 53 -0.964 -16.444 11.217 369 HD2 HIS 53 HD2 HIS 53 2.852 -14.813 11.829 370 HE1 HIS 53 HE1 HIS 53 0.594 -18.416 11.661 371 H ASN 54 HN ASN 54 -0.823 -11.025 10.849 372 HA ASN 54 HA ASN 54 1.319 -9.819 9.568 373 1HB ASN 54 2HB ASN 54 -1.603 -9.188 9.992 374 2HB ASN 54 3HB ASN 54 -0.588 -7.884 9.410 375 1HD2 ASN 54 1HD2 ASN 54 0.186 -7.882 7.373 376 2HD2 ASN 54 2HD2 ASN 54 -0.197 -9.060 6.162 377 H LEU 55 HN LEU 55 -0.111 -9.476 12.759 378 HA LEU 55 HA LEU 55 0.506 -6.800 13.282 379 1HB LEU 55 2HB LEU 55 -0.964 -8.554 14.529 380 2HB LEU 55 3HB LEU 55 0.520 -8.943 15.378 381 HG LEU 55 HG LEU 55 0.435 -6.190 15.581 382 1HD1 LEU 55 1HD1 LEU 55 -2.247 -6.632 16.557 383 2HD1 LEU 55 2HD1 LEU 55 -1.623 -5.369 15.469 384 3HD1 LEU 55 3HD1 LEU 55 -2.158 -6.931 14.805 385 1HD2 LEU 55 1HD2 LEU 55 -0.569 -6.817 17.941 386 2HD2 LEU 55 2HD2 LEU 55 -0.244 -8.476 17.384 387 3HD2 LEU 55 3HD2 LEU 55 1.083 -7.293 17.478 388 H SER 56 HN SER 56 2.343 -9.863 13.907 389 HA SER 56 HA SER 56 4.573 -8.347 14.823 390 1HB SER 56 2HB SER 56 4.649 -10.352 15.925 391 2HB SER 56 3HB SER 56 3.786 -11.201 14.657 392 HG SER 56 HG SER 56 5.973 -11.955 14.814 393 H LEU 57 HN LEU 57 3.378 -9.723 11.802 394 HA LEU 57 HA LEU 57 5.952 -9.674 10.523 395 1HB LEU 57 2HB LEU 57 3.182 -10.481 9.835 396 2HB LEU 57 3HB LEU 57 4.199 -9.962 8.505 397 HG LEU 57 HG LEU 57 4.209 -12.405 8.838 398 1HD1 LEU 57 1HD1 LEU 57 6.093 -11.562 7.706 399 2HD1 LEU 57 2HD1 LEU 57 6.804 -10.903 9.199 400 3HD1 LEU 57 3HD1 LEU 57 6.741 -12.664 8.945 401 1HD2 LEU 57 1HD2 LEU 57 4.428 -13.378 10.820 402 2HD2 LEU 57 2HD2 LEU 57 5.957 -12.524 11.137 403 3HD2 LEU 57 3HD2 LEU 57 4.406 -11.759 11.560 404 H ASN 58 HN ASN 58 4.012 -7.273 11.667 405 HA ASN 58 HA ASN 58 4.416 -5.610 9.317 406 1HB ASN 58 2HB ASN 58 2.110 -5.575 10.148 407 2HB ASN 58 3HB ASN 58 2.646 -5.296 11.793 408 1HD2 ASN 58 1HD2 ASN 58 2.821 -3.301 12.518 409 2HD2 ASN 58 2HD2 ASN 58 2.764 -1.849 11.576 410 H ASP 59 HN ASP 59 4.209 -5.008 12.907 411 HA ASP 59 HA ASP 59 6.079 -2.958 12.819 412 1HB ASP 59 2HB ASP 59 4.365 -4.209 14.740 413 2HB ASP 59 3HB ASP 59 5.975 -4.248 15.431 414 H CYS 60 HN CYS 60 6.227 -6.385 14.058 415 HA CYS 60 HA CYS 60 7.938 -7.831 13.823 416 1HB CYS 60 2HB CYS 60 8.962 -6.015 12.158 417 2HB CYS 60 3HB CYS 60 10.062 -5.746 13.495 418 HG CYS 60 HG CYS 60 10.290 -7.775 11.289 419 H PHE 61 HN PHE 61 6.984 -7.545 16.171 420 HA PHE 61 HA PHE 61 9.170 -6.641 17.914 421 1HB PHE 61 2HB PHE 61 6.968 -6.618 19.517 422 2HB PHE 61 3HB PHE 61 7.374 -5.237 18.518 423 HD1 PHE 61 HD1 PHE 61 5.533 -4.288 17.530 424 HD2 PHE 61 HD2 PHE 61 5.661 -8.512 17.922 425 HE1 PHE 61 HE1 PHE 61 3.306 -4.462 16.385 426 HE2 PHE 61 HE2 PHE 61 3.434 -8.685 16.778 427 HZ PHE 61 HZ PHE 61 2.283 -6.659 16.023 428 H VAL 62 HN VAL 62 8.177 -7.726 20.328 429 HA VAL 62 HA VAL 62 8.264 -10.600 19.714 430 HB VAL 62 HB VAL 62 10.262 -9.307 20.840 431 1HG1 VAL 62 1HG1 VAL 62 8.470 -9.892 23.222 432 2HG1 VAL 62 2HG1 VAL 62 10.163 -9.346 23.289 433 3HG1 VAL 62 3HG1 VAL 62 8.909 -8.276 22.617 434 1HG2 VAL 62 1HG2 VAL 62 9.739 -11.868 20.490 435 2HG2 VAL 62 2HG2 VAL 62 11.058 -11.347 21.565 436 3HG2 VAL 62 3HG2 VAL 62 9.491 -11.840 22.252 437 H LYS 63 HN LYS 63 7.282 -11.963 21.541 438 HA LYS 63 HA LYS 63 4.959 -10.526 22.626 439 1HB LYS 63 2HB LYS 63 4.083 -11.873 20.913 440 2HB LYS 63 3HB LYS 63 5.153 -13.213 21.275 441 1HG LYS 63 2HG LYS 63 3.967 -13.297 23.600 442 2HG LYS 63 3HG LYS 63 2.755 -12.254 22.884 443 1HD LYS 63 2HD LYS 63 3.544 -15.057 21.983 444 2HD LYS 63 3HD LYS 63 1.995 -14.545 22.623 445 1HE LYS 63 2HE LYS 63 1.649 -13.079 20.625 446 2HE LYS 63 3HE LYS 63 3.202 -13.579 19.986 447 1HZ LYS 63 1HZ LYS 63 0.786 -14.869 19.718 448 2HZ LYS 63 2HZ LYS 63 2.243 -15.366 19.172 449 3HZ LYS 63 3HZ LYS 63 1.716 -15.844 20.642 450 H VAL 64 HN VAL 64 4.202 -11.222 24.723 451 HA VAL 64 HA VAL 64 6.215 -12.786 26.185 452 HB VAL 64 HB VAL 64 4.702 -10.356 27.163 453 1HG1 VAL 64 1HG1 VAL 64 5.086 -11.477 29.120 454 2HG1 VAL 64 2HG1 VAL 64 6.492 -12.357 28.474 455 3HG1 VAL 64 3HG1 VAL 64 6.656 -10.653 28.960 456 1HG2 VAL 64 1HG2 VAL 64 7.392 -9.749 27.273 457 2HG2 VAL 64 2HG2 VAL 64 7.255 -10.642 25.739 458 3HG2 VAL 64 3HG2 VAL 64 6.252 -9.198 26.021 459 H LEU 65 HN LEU 65 4.879 -14.674 25.758 460 HA LEU 65 HA LEU 65 2.175 -14.622 26.745 461 1HB LEU 65 2HB LEU 65 3.156 -15.886 24.705 462 2HB LEU 65 3HB LEU 65 3.697 -17.064 25.885 463 HG LEU 65 HG LEU 65 1.206 -17.076 26.667 464 1HD1 LEU 65 1HD1 LEU 65 -0.227 -15.793 25.566 465 2HD1 LEU 65 2HD1 LEU 65 1.066 -15.239 24.475 466 3HD1 LEU 65 3HD1 LEU 65 0.125 -16.696 24.073 467 1HD2 LEU 65 1HD2 LEU 65 0.819 -18.977 25.386 468 2HD2 LEU 65 2HD2 LEU 65 1.686 -18.330 23.973 469 3HD2 LEU 65 3HD2 LEU 65 2.594 -18.857 25.410 470 H ARG 66 HN ARG 66 5.286 -16.291 27.594 471 HA ARG 66 HA ARG 66 4.071 -16.950 30.132 472 1HB ARG 66 2HB ARG 66 6.160 -18.129 28.417 473 2HB ARG 66 3HB ARG 66 6.695 -18.001 30.080 474 1HG ARG 66 2HG ARG 66 4.567 -19.145 30.818 475 2HG ARG 66 3HG ARG 66 4.114 -19.336 29.135 476 1HD ARG 66 2HD ARG 66 5.167 -21.410 29.936 477 2HD ARG 66 3HD ARG 66 6.194 -20.670 28.725 478 HE ARG 66 HE ARG 66 6.758 -20.889 31.613 479 1HH1 ARG 66 2HH2 ARG 66 7.641 -19.393 28.553 480 2HH1 ARG 66 1HH2 ARG 66 9.240 -18.977 29.072 481 1HH2 ARG 66 2HH1 ARG 66 8.868 -20.339 32.298 482 2HH2 ARG 66 1HH1 ARG 66 9.943 -19.518 31.216 483 H ASP 67 HN ASP 67 4.300 -15.329 31.656 484 HA ASP 67 HA ASP 67 6.775 -14.649 32.619 485 1HB ASP 67 2HB ASP 67 6.455 -13.289 30.283 486 2HB ASP 67 3HB ASP 67 5.626 -12.176 31.353 487 HA PRO 68 HA PRO 68 3.421 -13.583 35.360 488 1HB PRO 68 2HB PRO 68 4.765 -13.993 37.704 489 2HB PRO 68 3HB PRO 68 3.912 -15.266 36.854 490 1HG PRO 68 2HG PRO 68 6.822 -14.780 37.025 491 2HG PRO 68 3HG PRO 68 5.980 -16.243 36.558 492 1HD PRO 68 2HD PRO 68 7.278 -14.377 34.809 493 2HD PRO 68 3HD PRO 68 6.337 -15.777 34.335 494 H SER 69 HN SER 69 4.004 -11.458 34.141 495 HA SER 69 HA SER 69 5.207 -9.722 36.145 496 1HB SER 69 2HB SER 69 5.127 -9.712 33.149 497 2HB SER 69 3HB SER 69 5.077 -8.145 33.933 498 HG SER 69 HG SER 69 6.992 -9.322 35.248 499 H ARG 70 HN ARG 70 2.423 -10.166 33.895 500 HA ARG 70 HA ARG 70 0.947 -8.367 35.624 501 1HB ARG 70 2HB ARG 70 0.892 -8.343 32.563 502 2HB ARG 70 3HB ARG 70 -0.224 -7.443 33.571 503 1HG ARG 70 2HG ARG 70 1.311 -5.757 33.427 504 2HG ARG 70 3HG ARG 70 2.187 -6.652 34.653 505 1HD ARG 70 2HD ARG 70 3.359 -7.922 32.758 506 2HD ARG 70 3HD ARG 70 2.605 -6.811 31.631 507 HE ARG 70 HE ARG 70 3.992 -5.411 33.780 508 1HH1 ARG 70 2HH2 ARG 70 4.436 -7.003 30.674 509 2HH1 ARG 70 1HH2 ARG 70 5.878 -6.125 30.286 510 1HH2 ARG 70 2HH1 ARG 70 5.895 -4.253 33.269 511 2HH2 ARG 70 1HH1 ARG 70 6.714 -4.551 31.772 512 HA PRO 71 HA PRO 71 -1.174 -12.329 34.688 513 1HB PRO 71 2HB PRO 71 -1.293 -13.346 37.221 514 2HB PRO 71 3HB PRO 71 -0.038 -13.773 36.076 515 1HG PRO 71 2HG PRO 71 0.127 -11.986 38.425 516 2HG PRO 71 3HG PRO 71 1.428 -12.753 37.536 517 1HD PRO 71 2HD PRO 71 0.621 -10.005 37.369 518 2HD PRO 71 3HD PRO 71 1.844 -10.799 36.397 519 H TRP 72 HN TRP 72 -2.428 -10.039 34.463 520 HA TRP 72 HA TRP 72 -4.971 -10.640 35.411 521 1HB TRP 72 2HB TRP 72 -5.272 -8.801 37.051 522 2HB TRP 72 3HB TRP 72 -4.293 -10.140 37.619 523 HD1 TRP 72 HD1 TRP 72 -1.436 -9.573 37.276 524 HE1 TRP 72 HE1 TRP 72 -0.097 -7.392 37.919 525 HE3 TRP 72 HE3 TRP 72 -5.473 -6.482 37.340 526 HZ2 TRP 72 HZ2 TRP 72 -0.860 -4.680 38.373 527 HZ3 TRP 72 HZ3 TRP 72 -5.089 -4.082 37.892 528 HH2 TRP 72 HH2 TRP 72 -2.878 -3.169 38.397 529 H GLY 73 HN GLY 73 -3.608 -9.946 32.979 530 1HA GLY 73 1HA GLY 73 -4.292 -7.143 32.479 531 2HA GLY 73 2HA GLY 73 -3.373 -8.216 31.442 532 H LYS 74 HN LYS 74 -4.660 -10.215 30.576 533 HA LYS 74 HA LYS 74 -7.451 -10.114 30.478 534 1HB LYS 74 2HB LYS 74 -6.629 -8.015 29.088 535 2HB LYS 74 3HB LYS 74 -6.354 -9.211 27.838 536 1HG LYS 74 2HG LYS 74 -8.565 -9.142 27.348 537 2HG LYS 74 3HG LYS 74 -8.899 -9.860 28.911 538 1HD LYS 74 2HD LYS 74 -8.392 -7.140 29.493 539 2HD LYS 74 3HD LYS 74 -9.321 -7.095 28.008 540 1HE LYS 74 2HE LYS 74 -11.233 -7.664 29.098 541 2HE LYS 74 3HE LYS 74 -10.474 -9.071 29.817 542 1HZ LYS 74 1HZ LYS 74 -9.950 -7.924 31.667 543 2HZ LYS 74 2HZ LYS 74 -9.755 -6.491 30.908 544 3HZ LYS 74 3HZ LYS 74 -11.256 -7.042 31.239 545 H ASP 75 HN ASP 75 -4.420 -10.863 28.655 546 HA ASP 75 HA ASP 75 -5.075 -13.619 28.811 547 1HB ASP 75 2HB ASP 75 -4.816 -12.343 26.049 548 2HB ASP 75 3HB ASP 75 -5.051 -14.048 26.378 549 H ASN 76 HN ASN 76 -3.219 -11.394 26.584 550 HA ASN 76 HA ASN 76 -0.785 -12.026 27.891 551 1HB ASN 76 2HB ASN 76 0.264 -12.883 25.666 552 2HB ASN 76 3HB ASN 76 -0.734 -14.016 26.556 553 1HD2 ASN 76 1HD2 ASN 76 -0.021 -13.245 23.601 554 2HD2 ASN 76 2HD2 ASN 76 -1.530 -13.397 22.763 555 H TYR 77 HN TYR 77 0.941 -10.558 27.118 556 HA TYR 77 HA TYR 77 -0.053 -8.505 25.257 557 1HB TYR 77 2HB TYR 77 1.605 -7.085 26.741 558 2HB TYR 77 3HB TYR 77 0.081 -7.541 27.477 559 HD1 TYR 77 HD1 TYR 77 0.025 -9.537 29.052 560 HD2 TYR 77 HD2 TYR 77 3.678 -7.798 27.661 561 HE1 TYR 77 HE1 TYR 77 1.287 -10.645 30.960 562 HE2 TYR 77 HE2 TYR 77 4.928 -8.912 29.574 563 HH TYR 77 HH TYR 77 3.433 -11.313 31.547 564 H TRP 78 HN TRP 78 1.623 -7.382 23.991 565 HA TRP 78 HA TRP 78 3.941 -9.139 23.560 566 1HB TRP 78 2HB TRP 78 2.575 -7.323 21.567 567 2HB TRP 78 3HB TRP 78 3.935 -8.383 21.255 568 HD1 TRP 78 HD1 TRP 78 1.499 -10.178 23.433 569 HE1 TRP 78 HE1 TRP 78 0.002 -11.903 22.112 570 HE3 TRP 78 HE3 TRP 78 2.725 -8.489 18.797 571 HZ2 TRP 78 HZ2 TRP 78 -0.491 -12.357 19.338 572 HZ3 TRP 78 HZ3 TRP 78 1.691 -9.628 16.835 573 HH2 TRP 78 HH2 TRP 78 0.134 -11.500 17.050 574 H MET 79 HN MET 79 5.963 -7.969 22.920 575 HA MET 79 HA MET 79 5.963 -5.285 24.071 576 1HB MET 79 2HB MET 79 7.530 -7.687 24.673 577 2HB MET 79 3HB MET 79 8.607 -6.415 24.131 578 1HG MET 79 2HG MET 79 7.247 -4.887 25.812 579 2HG MET 79 3HG MET 79 6.731 -6.405 26.518 580 1HE MET 79 1HE MET 79 10.508 -5.681 24.928 581 2HE MET 79 2HE MET 79 9.508 -4.257 25.304 582 3HE MET 79 3HE MET 79 10.925 -4.641 26.310 583 H LEU 80 HN LEU 80 6.200 -3.796 22.459 584 HA LEU 80 HA LEU 80 8.058 -4.499 20.293 585 1HB LEU 80 2HB LEU 80 6.701 -3.167 18.796 586 2HB LEU 80 3HB LEU 80 5.790 -4.498 19.482 587 HG LEU 80 HG LEU 80 5.553 -1.920 20.927 588 1HD1 LEU 80 1HD1 LEU 80 5.492 -0.895 18.830 589 2HD1 LEU 80 2HD1 LEU 80 4.636 -2.261 18.077 590 3HD1 LEU 80 3HD1 LEU 80 3.780 -1.192 19.214 591 1HD2 LEU 80 1HD2 LEU 80 3.035 -2.907 20.343 592 2HD2 LEU 80 2HD2 LEU 80 4.033 -4.373 20.495 593 3HD2 LEU 80 3HD2 LEU 80 3.968 -3.198 21.831 594 H ASN 81 HN ASN 81 9.585 -2.945 19.680 595 HA ASN 81 HA ASN 81 9.448 -0.416 21.067 596 1HB ASN 81 2HB ASN 81 11.712 -0.586 21.951 597 2HB ASN 81 3HB ASN 81 10.856 -2.027 22.463 598 1HD2 ASN 81 1HD2 ASN 81 13.699 -0.993 21.395 599 2HD2 ASN 81 2HD2 ASN 81 14.292 -2.365 20.519 600 HA PRO 82 HA PRO 82 11.237 0.857 17.272 601 1HB PRO 82 2HB PRO 82 12.558 3.152 17.948 602 2HB PRO 82 3HB PRO 82 10.825 3.082 17.700 603 1HG PRO 82 2HG PRO 82 12.327 3.262 20.239 604 2HG PRO 82 3HG PRO 82 10.637 3.613 19.936 605 1HD PRO 82 2HD PRO 82 11.703 1.269 21.199 606 2HD PRO 82 3HD PRO 82 10.025 1.569 20.792 Start of MODEL 8 1 H TYR 8 HN TYR 8 -9.237 -5.483 -7.872 2 HA TYR 8 HA TYR 8 -10.422 -4.578 -5.432 3 1HB TYR 8 2HB TYR 8 -8.701 -3.708 -7.647 4 2HB TYR 8 3HB TYR 8 -9.957 -2.507 -7.419 5 HD1 TYR 8 HD1 TYR 8 -6.727 -3.421 -6.467 6 HD2 TYR 8 HD2 TYR 8 -10.357 -1.868 -4.818 7 HE1 TYR 8 HE1 TYR 8 -5.426 -2.419 -4.526 8 HE2 TYR 8 HE2 TYR 8 -9.043 -0.872 -2.883 9 HH TYR 8 HH TYR 8 -6.901 -0.209 -2.316 10 H ILE 9 HN ILE 9 -11.138 -4.058 -8.962 11 HA ILE 9 HA ILE 9 -13.442 -2.587 -8.584 12 HB ILE 9 HB ILE 9 -14.015 -3.390 -10.890 13 1HG1 ILE 9 2HG1 ILE 9 -11.557 -4.547 -11.645 14 2HG1 ILE 9 3HG1 ILE 9 -12.058 -5.412 -10.205 15 1HG2 ILE 9 1HG2 ILE 9 -12.738 -1.364 -10.539 16 2HG2 ILE 9 2HG2 ILE 9 -11.231 -2.300 -10.396 17 3HG2 ILE 9 3HG2 ILE 9 -12.100 -2.245 -11.948 18 1HD1 ILE 9 1HD1 ILE 9 -14.449 -5.362 -11.454 19 2HD1 ILE 9 2HD1 ILE 9 -13.399 -5.238 -12.886 20 3HD1 ILE 9 3HD1 ILE 9 -13.241 -6.626 -11.783 21 H ALA 10 HN ALA 10 -12.884 -6.125 -8.535 22 HA ALA 10 HA ALA 10 -15.598 -6.849 -8.571 23 1HB ALA 10 1HB ALA 10 -13.724 -8.589 -7.082 24 2HB ALA 10 2HB ALA 10 -14.738 -8.949 -8.500 25 3HB ALA 10 3HB ALA 10 -13.170 -8.135 -8.712 26 H LEU 11 HN LEU 11 -13.260 -6.065 -5.940 27 HA LEU 11 HA LEU 11 -14.871 -6.804 -3.809 28 1HB LEU 11 2HB LEU 11 -13.159 -6.084 -2.606 29 2HB LEU 11 3HB LEU 11 -12.357 -5.827 -4.143 30 HG LEU 11 HG LEU 11 -13.228 -3.451 -4.101 31 1HD1 LEU 11 1HD1 LEU 11 -14.538 -4.462 -1.716 32 2HD1 LEU 11 2HD1 LEU 11 -13.550 -3.024 -1.364 33 3HD1 LEU 11 3HD1 LEU 11 -14.809 -2.953 -2.621 34 1HD2 LEU 11 1HD2 LEU 11 -11.562 -3.622 -1.680 35 2HD2 LEU 11 2HD2 LEU 11 -10.947 -4.545 -3.073 36 3HD2 LEU 11 3HD2 LEU 11 -11.267 -2.801 -3.232 37 H ILE 12 HN ILE 12 -14.549 -3.610 -5.497 38 HA ILE 12 HA ILE 12 -16.384 -2.252 -3.934 39 HB ILE 12 HB ILE 12 -15.527 -1.922 -6.804 40 1HG1 ILE 12 2HG1 ILE 12 -13.875 -1.671 -4.862 41 2HG1 ILE 12 3HG1 ILE 12 -13.973 -0.365 -6.027 42 1HG2 ILE 12 1HG2 ILE 12 -16.535 0.268 -6.807 43 2HG2 ILE 12 2HG2 ILE 12 -17.782 -0.951 -6.452 44 3HG2 ILE 12 3HG2 ILE 12 -17.115 0.048 -5.139 45 1HD1 ILE 12 1HD1 ILE 12 -13.946 0.466 -3.668 46 2HD1 ILE 12 2HD1 ILE 12 -15.436 0.931 -4.523 47 3HD1 ILE 12 3HD1 ILE 12 -15.461 -0.417 -3.360 48 H THR 13 HN THR 13 -16.868 -4.140 -6.989 49 HA THR 13 HA THR 13 -19.546 -3.678 -7.343 50 HB THR 13 HB THR 13 -17.808 -6.151 -7.820 51 HG1 THR 13 HG1 THR 13 -17.229 -4.203 -8.971 52 1HG2 THR 13 1HG2 THR 13 -20.089 -6.949 -8.043 53 2HG2 THR 13 2HG2 THR 13 -20.612 -5.424 -8.798 54 3HG2 THR 13 3HG2 THR 13 -19.548 -6.540 -9.688 55 H MET 14 HN MET 14 -18.054 -6.301 -5.334 56 HA MET 14 HA MET 14 -20.584 -7.149 -4.438 57 1HB MET 14 2HB MET 14 -19.206 -8.558 -2.877 58 2HB MET 14 3HB MET 14 -18.591 -8.641 -4.516 59 1HG MET 14 2HG MET 14 -16.788 -7.085 -4.014 60 2HG MET 14 3HG MET 14 -17.492 -6.667 -2.464 61 1HE MET 14 1HE MET 14 -14.973 -8.574 -0.568 62 2HE MET 14 2HE MET 14 -14.625 -7.410 -1.868 63 3HE MET 14 3HE MET 14 -16.009 -7.143 -0.781 64 H ALA 15 HN ALA 15 -18.611 -4.451 -3.655 65 HA ALA 15 HA ALA 15 -19.320 -4.324 -0.876 66 1HB ALA 15 1HB ALA 15 -18.395 -1.850 -2.158 67 2HB ALA 15 2HB ALA 15 -17.673 -2.781 -0.823 68 3HB ALA 15 3HB ALA 15 -17.341 -3.241 -2.510 69 H ILE 16 HN ILE 16 -20.306 -2.732 -3.970 70 HA ILE 16 HA ILE 16 -22.310 -1.191 -2.604 71 HB ILE 16 HB ILE 16 -21.973 -1.544 -5.575 72 1HG1 ILE 16 2HG1 ILE 16 -19.768 -1.044 -4.669 73 2HG1 ILE 16 3HG1 ILE 16 -20.404 0.326 -5.556 74 1HG2 ILE 16 1HG2 ILE 16 -22.706 1.051 -4.347 75 2HG2 ILE 16 2HG2 ILE 16 -23.312 0.255 -5.819 76 3HG2 ILE 16 3HG2 ILE 16 -23.915 -0.249 -4.222 77 1HD1 ILE 16 1HD1 ILE 16 -21.200 0.440 -2.735 78 2HD1 ILE 16 2HD1 ILE 16 -19.432 0.355 -2.919 79 3HD1 ILE 16 3HD1 ILE 16 -20.348 1.656 -3.718 80 H ARG 17 HN ARG 17 -21.991 -4.368 -3.998 81 HA ARG 17 HA ARG 17 -24.606 -4.723 -4.826 82 1HB ARG 17 2HB ARG 17 -22.258 -6.253 -4.749 83 2HB ARG 17 3HB ARG 17 -23.319 -7.129 -3.665 84 1HG ARG 17 2HG ARG 17 -25.055 -6.605 -5.737 85 2HG ARG 17 3HG ARG 17 -23.542 -6.713 -6.615 86 1HD ARG 17 2HD ARG 17 -24.112 -8.966 -6.607 87 2HD ARG 17 3HD ARG 17 -23.210 -8.914 -5.106 88 HE ARG 17 HE ARG 17 -25.212 -9.187 -3.896 89 1HH1 ARG 17 2HH2 ARG 17 -25.939 -8.445 -7.258 90 2HH1 ARG 17 1HH2 ARG 17 -27.628 -8.799 -7.104 91 1HH2 ARG 17 2HH1 ARG 17 -27.439 -9.654 -3.693 92 2HH2 ARG 17 1HH1 ARG 17 -28.487 -9.491 -5.062 93 H ASP 18 HN ASP 18 -23.354 -4.141 -1.714 94 HA ASP 18 HA ASP 18 -24.806 -5.901 -0.160 95 1HB ASP 18 2HB ASP 18 -22.915 -4.199 0.458 96 2HB ASP 18 3HB ASP 18 -24.203 -3.022 0.618 97 H SER 19 HN SER 19 -25.585 -2.808 -1.779 98 HA SER 19 HA SER 19 -28.057 -2.538 -0.367 99 1HB SER 19 2HB SER 19 -28.264 -0.452 -1.446 100 2HB SER 19 3HB SER 19 -26.530 -0.634 -1.265 101 HG SER 19 HG SER 19 -26.361 -0.481 -3.384 102 H ALA 20 HN ALA 20 -29.274 -1.447 -3.034 103 HA ALA 20 HA ALA 20 -29.547 -3.686 -4.738 104 1HB ALA 20 1HB ALA 20 -31.599 -3.234 -2.567 105 2HB ALA 20 2HB ALA 20 -32.089 -3.900 -4.143 106 3HB ALA 20 3HB ALA 20 -30.891 -4.761 -3.148 107 H GLY 21 HN GLY 21 -28.917 -0.800 -4.765 108 1HA GLY 21 1HA GLY 21 -29.295 0.767 -6.390 109 2HA GLY 21 2HA GLY 21 -30.780 -0.041 -6.852 110 H GLY 22 HN GLY 22 -29.726 1.108 -3.581 111 1HA GLY 22 1HA GLY 22 -31.794 3.191 -3.674 112 2HA GLY 22 2HA GLY 22 -31.896 1.958 -2.433 113 H ARG 23 HN ARG 23 -29.755 1.570 -1.142 114 HA ARG 23 HA ARG 23 -27.994 3.782 -1.072 115 1HB ARG 23 2HB ARG 23 -28.507 4.327 1.377 116 2HB ARG 23 3HB ARG 23 -29.727 4.853 0.234 117 1HG ARG 23 2HG ARG 23 -31.307 3.407 1.054 118 2HG ARG 23 3HG ARG 23 -30.163 2.089 1.214 119 1HD ARG 23 2HD ARG 23 -29.196 3.412 3.249 120 2HD ARG 23 3HD ARG 23 -30.658 4.375 3.164 121 HE ARG 23 HE ARG 23 -31.809 2.602 4.140 122 1HH1 ARG 23 2HH2 ARG 23 -28.944 1.325 2.547 123 2HH1 ARG 23 1HH2 ARG 23 -29.210 -0.299 3.089 124 1HH2 ARG 23 2HH1 ARG 23 -32.160 0.461 4.857 125 2HH2 ARG 23 1HH1 ARG 23 -31.051 -0.793 4.412 126 H LEU 24 HN LEU 24 -26.243 3.419 0.638 127 HA LEU 24 HA LEU 24 -26.228 0.879 1.956 128 1HB LEU 24 2HB LEU 24 -25.174 -0.358 0.478 129 2HB LEU 24 3HB LEU 24 -25.339 0.933 -0.696 130 HG LEU 24 HG LEU 24 -23.030 0.911 1.239 131 1HD1 LEU 24 1HD1 LEU 24 -22.483 -1.114 0.402 132 2HD1 LEU 24 2HD1 LEU 24 -23.488 -0.912 -1.054 133 3HD1 LEU 24 3HD1 LEU 24 -21.887 -0.139 -0.963 134 1HD2 LEU 24 1HD2 LEU 24 -22.732 2.869 0.198 135 2HD2 LEU 24 2HD2 LEU 24 -22.149 1.887 -1.167 136 3HD2 LEU 24 3HD2 LEU 24 -23.838 2.446 -1.130 137 H THR 25 HN THR 25 -24.145 0.619 3.234 138 HA THR 25 HA THR 25 -23.152 3.302 3.933 139 HB THR 25 HB THR 25 -22.884 2.347 6.209 140 HG1 THR 25 HG1 THR 25 -22.488 0.143 5.159 141 1HG2 THR 25 1HG2 THR 25 -25.098 2.960 6.392 142 2HG2 THR 25 2HG2 THR 25 -25.502 2.281 4.797 143 3HG2 THR 25 3HG2 THR 25 -25.428 1.219 6.223 144 H LEU 26 HN LEU 26 -21.122 3.772 3.399 145 HA LEU 26 HA LEU 26 -19.440 1.739 2.345 146 1HB LEU 26 2HB LEU 26 -19.430 4.667 2.640 147 2HB LEU 26 3HB LEU 26 -17.843 3.926 2.695 148 HG LEU 26 HG LEU 26 -18.311 4.601 0.443 149 1HD1 LEU 26 1HD1 LEU 26 -17.606 1.994 1.178 150 2HD1 LEU 26 2HD1 LEU 26 -18.755 1.806 -0.169 151 3HD1 LEU 26 3HD1 LEU 26 -17.296 2.804 -0.377 152 1HD2 LEU 26 1HD2 LEU 26 -20.210 3.980 -0.830 153 2HD2 LEU 26 2HD2 LEU 26 -20.750 2.815 0.402 154 3HD2 LEU 26 3HD2 LEU 26 -20.823 4.562 0.737 155 H ALA 27 HN ALA 27 -20.028 3.136 5.516 156 HA ALA 27 HA ALA 27 -17.527 2.568 6.660 157 1HB ALA 27 1HB ALA 27 -20.317 3.140 7.622 158 2HB ALA 27 2HB ALA 27 -19.122 2.520 8.786 159 3HB ALA 27 3HB ALA 27 -18.808 4.038 7.912 160 H GLU 28 HN GLU 28 -20.685 0.764 6.805 161 HA GLU 28 HA GLU 28 -19.579 -1.424 8.098 162 1HB GLU 28 2HB GLU 28 -22.043 -0.796 7.895 163 2HB GLU 28 3HB GLU 28 -22.012 -1.433 6.263 164 1HG GLU 28 2HG GLU 28 -22.607 -3.401 7.281 165 2HG GLU 28 3HG GLU 28 -20.888 -3.544 7.591 166 H ILE 29 HN ILE 29 -19.978 -0.598 4.626 167 HA ILE 29 HA ILE 29 -19.364 -3.103 3.582 168 HB ILE 29 HB ILE 29 -19.688 -0.379 2.658 169 1HG1 ILE 29 2HG1 ILE 29 -20.574 -1.588 0.656 170 2HG1 ILE 29 3HG1 ILE 29 -20.080 -3.102 1.386 171 1HG2 ILE 29 1HG2 ILE 29 -18.371 -0.746 0.528 172 2HG2 ILE 29 2HG2 ILE 29 -17.420 -0.366 1.984 173 3HG2 ILE 29 3HG2 ILE 29 -17.507 -2.042 1.389 174 1HD1 ILE 29 1HD1 ILE 29 -22.451 -2.684 1.873 175 2HD1 ILE 29 2HD1 ILE 29 -21.513 -2.593 3.383 176 3HD1 ILE 29 3HD1 ILE 29 -22.052 -1.099 2.579 177 H ASN 30 HN ASN 30 -17.201 -0.233 4.133 178 HA ASN 30 HA ASN 30 -14.890 -1.344 3.335 179 1HB ASN 30 2HB ASN 30 -15.562 0.618 5.557 180 2HB ASN 30 3HB ASN 30 -13.896 0.121 5.334 181 1HD2 ASN 30 1HD2 ASN 30 -14.187 2.645 5.031 182 2HD2 ASN 30 2HD2 ASN 30 -14.220 3.178 3.383 183 H GLU 31 HN GLU 31 -16.567 -1.620 6.530 184 HA GLU 31 HA GLU 31 -14.500 -3.089 7.734 185 1HB GLU 31 2HB GLU 31 -16.151 -1.796 9.037 186 2HB GLU 31 3HB GLU 31 -17.451 -2.817 8.457 187 1HG GLU 31 2HG GLU 31 -16.316 -4.808 9.521 188 2HG GLU 31 3HG GLU 31 -15.087 -3.736 10.161 189 H TYR 32 HN TYR 32 -17.121 -3.874 5.541 190 HA TYR 32 HA TYR 32 -17.215 -6.655 6.256 191 1HB TYR 32 2HB TYR 32 -19.226 -6.099 5.209 192 2HB TYR 32 3HB TYR 32 -18.538 -4.627 4.553 193 HD1 TYR 32 HD1 TYR 32 -17.938 -4.471 2.263 194 HD2 TYR 32 HD2 TYR 32 -18.841 -8.292 3.962 195 HE1 TYR 32 HE1 TYR 32 -17.949 -5.509 -0.058 196 HE2 TYR 32 HE2 TYR 32 -18.849 -9.317 1.636 197 HH TYR 32 HH TYR 32 -18.390 -8.999 -0.470 198 H LEU 33 HN LEU 33 -15.658 -4.586 3.764 199 HA LEU 33 HA LEU 33 -14.767 -6.765 2.194 200 1HB LEU 33 2HB LEU 33 -14.713 -4.971 0.882 201 2HB LEU 33 3HB LEU 33 -14.559 -3.857 2.226 202 HG LEU 33 HG LEU 33 -12.667 -3.740 0.651 203 1HD1 LEU 33 1HD1 LEU 33 -11.241 -3.184 2.291 204 2HD1 LEU 33 2HD1 LEU 33 -12.586 -3.620 3.373 205 3HD1 LEU 33 3HD1 LEU 33 -11.298 -4.801 3.034 206 1HD2 LEU 33 1HD2 LEU 33 -12.801 -6.560 0.746 207 2HD2 LEU 33 2HD2 LEU 33 -11.682 -5.539 -0.189 208 3HD2 LEU 33 3HD2 LEU 33 -11.228 -6.097 1.440 209 H MET 34 HN MET 34 -13.337 -4.791 4.853 210 HA MET 34 HA MET 34 -10.812 -5.920 4.689 211 1HB MET 34 2HB MET 34 -11.354 -3.842 5.956 212 2HB MET 34 3HB MET 34 -12.374 -4.747 7.057 213 1HG MET 34 2HG MET 34 -9.988 -6.152 7.248 214 2HG MET 34 3HG MET 34 -9.406 -4.520 6.986 215 1HE MET 34 1HE MET 34 -8.740 -3.642 10.007 216 2HE MET 34 2HE MET 34 -9.013 -3.096 8.335 217 3HE MET 34 3HE MET 34 -10.038 -2.477 9.653 218 H GLY 35 HN GLY 35 -13.749 -6.847 6.576 219 1HA GLY 35 1HA GLY 35 -12.458 -8.973 7.980 220 2HA GLY 35 2HA GLY 35 -14.177 -8.646 7.875 221 H LYS 36 HN LYS 36 -13.266 -8.590 4.698 222 HA LYS 36 HA LYS 36 -13.849 -11.450 4.410 223 1HB LYS 36 2HB LYS 36 -14.748 -9.014 3.006 224 2HB LYS 36 3HB LYS 36 -14.300 -10.334 1.946 225 1HG LYS 36 2HG LYS 36 -15.801 -11.479 4.111 226 2HG LYS 36 3HG LYS 36 -16.678 -10.057 3.582 227 1HD LYS 36 2HD LYS 36 -16.670 -10.867 1.247 228 2HD LYS 36 3HD LYS 36 -15.673 -12.238 1.693 229 1HE LYS 36 2HE LYS 36 -17.721 -12.585 3.471 230 2HE LYS 36 3HE LYS 36 -18.594 -11.773 2.186 231 1HZ LYS 36 1HZ LYS 36 -16.816 -13.882 1.360 232 2HZ LYS 36 2HZ LYS 36 -18.135 -14.354 2.198 233 3HZ LYS 36 3HZ LYS 36 -18.308 -13.503 0.815 234 H PHE 37 HN PHE 37 -11.669 -8.761 3.505 235 HA PHE 37 HA PHE 37 -10.018 -10.687 2.048 236 1HB PHE 37 2HB PHE 37 -10.229 -7.631 2.244 237 2HB PHE 37 3HB PHE 37 -8.872 -8.391 1.437 238 HD1 PHE 37 HD1 PHE 37 -9.888 -6.818 -0.405 239 HD2 PHE 37 HD2 PHE 37 -11.732 -10.385 0.967 240 HE1 PHE 37 HE1 PHE 37 -11.221 -6.945 -2.528 241 HE2 PHE 37 HE2 PHE 37 -13.066 -10.512 -1.156 242 HZ PHE 37 HZ PHE 37 -12.794 -8.790 -2.878 243 HA PRO 38 HA PRO 38 -7.545 -10.504 5.704 244 1HB PRO 38 2HB PRO 38 -6.128 -12.794 5.235 245 2HB PRO 38 3HB PRO 38 -7.663 -12.773 6.081 246 1HG PRO 38 2HG PRO 38 -7.082 -13.645 3.316 247 2HG PRO 38 3HG PRO 38 -8.481 -14.002 4.309 248 1HD PRO 38 2HD PRO 38 -8.342 -12.112 2.155 249 2HD PRO 38 3HD PRO 38 -9.705 -12.387 3.222 250 H PHE 39 HN PHE 39 -6.659 -10.492 2.420 251 HA PHE 39 HA PHE 39 -3.884 -10.056 2.936 252 1HB PHE 39 2HB PHE 39 -5.854 -9.956 0.612 253 2HB PHE 39 3HB PHE 39 -4.272 -9.240 0.378 254 HD1 PHE 39 HD1 PHE 39 -6.066 -12.385 1.026 255 HD2 PHE 39 HD2 PHE 39 -2.318 -10.607 0.132 256 HE1 PHE 39 HE1 PHE 39 -5.125 -14.646 0.476 257 HE2 PHE 39 HE2 PHE 39 -1.377 -12.868 -0.418 258 HZ PHE 39 HZ PHE 39 -2.791 -14.860 -0.239 259 H PHE 40 HN PHE 40 -6.814 -8.081 2.645 260 HA PHE 40 HA PHE 40 -5.378 -5.657 2.160 261 1HB PHE 40 2HB PHE 40 -8.044 -6.691 2.077 262 2HB PHE 40 3HB PHE 40 -8.088 -5.489 3.351 263 HD1 PHE 40 HD1 PHE 40 -9.292 -3.728 2.417 264 HD2 PHE 40 HD2 PHE 40 -6.109 -5.446 0.199 265 HE1 PHE 40 HE1 PHE 40 -9.512 -1.914 0.697 266 HE2 PHE 40 HE2 PHE 40 -6.328 -3.632 -1.522 267 HZ PHE 40 HZ PHE 40 -8.027 -1.887 -1.252 268 H ARG 41 HN ARG 41 -6.646 -7.448 4.981 269 HA ARG 41 HA ARG 41 -6.163 -5.207 6.687 270 1HB ARG 41 2HB ARG 41 -7.080 -6.608 8.458 271 2HB ARG 41 3HB ARG 41 -8.073 -6.844 7.034 272 1HG ARG 41 2HG ARG 41 -7.651 -9.067 7.108 273 2HG ARG 41 3HG ARG 41 -5.946 -8.751 6.851 274 1HD ARG 41 2HD ARG 41 -5.607 -9.607 8.935 275 2HD ARG 41 3HD ARG 41 -6.272 -8.107 9.552 276 HE ARG 41 HE ARG 41 -8.532 -9.615 9.012 277 1HH1 ARG 41 2HH2 ARG 41 -5.611 -10.190 10.889 278 2HH1 ARG 41 1HH2 ARG 41 -6.390 -11.253 12.013 279 1HH2 ARG 41 2HH1 ARG 41 -9.560 -11.016 10.495 280 2HH2 ARG 41 1HH1 ARG 41 -8.651 -11.726 11.788 281 H GLY 42 HN GLY 42 -4.045 -6.976 5.089 282 1HA GLY 42 1HA GLY 42 -2.233 -7.338 7.399 283 2HA GLY 42 2HA GLY 42 -2.326 -8.494 6.086 284 H SER 43 HN SER 43 -2.767 -5.044 5.399 285 HA SER 43 HA SER 43 0.000 -4.883 4.548 286 1HB SER 43 2HB SER 43 -2.435 -4.334 2.800 287 2HB SER 43 3HB SER 43 -0.828 -3.761 2.398 288 HG SER 43 HG SER 43 -0.085 -5.889 2.185 289 H TYR 44 HN TYR 44 -2.961 -2.843 4.021 290 HA TYR 44 HA TYR 44 -2.324 -1.040 6.111 291 1HB TYR 44 2HB TYR 44 -1.467 0.772 4.716 292 2HB TYR 44 3HB TYR 44 -0.563 -0.644 4.218 293 HD1 TYR 44 HD1 TYR 44 -2.104 2.159 2.981 294 HD2 TYR 44 HD2 TYR 44 -1.992 -2.063 2.297 295 HE1 TYR 44 HE1 TYR 44 -2.850 2.521 0.578 296 HE2 TYR 44 HE2 TYR 44 -2.738 -1.687 -0.104 297 HH TYR 44 HH TYR 44 -3.617 -0.213 -1.503 298 H THR 45 HN THR 45 -4.313 -0.395 6.754 299 HA THR 45 HA THR 45 -6.483 -0.466 4.829 300 HB THR 45 HB THR 45 -6.663 -1.469 7.133 301 HG1 THR 45 HG1 THR 45 -8.764 -0.693 7.102 302 1HG2 THR 45 1HG2 THR 45 -5.659 1.178 7.895 303 2HG2 THR 45 2HG2 THR 45 -7.247 0.870 8.639 304 3HG2 THR 45 3HG2 THR 45 -5.900 -0.259 8.918 305 H GLY 46 HN GLY 46 -5.073 1.346 3.681 306 1HA GLY 46 1HA GLY 46 -6.323 3.886 4.507 307 2HA GLY 46 2HA GLY 46 -4.602 3.809 4.186 308 H TRP 47 HN TRP 47 -7.280 2.053 2.499 309 HA TRP 47 HA TRP 47 -6.476 3.476 0.053 310 1HB TRP 47 2HB TRP 47 -7.703 1.227 -0.843 311 2HB TRP 47 3HB TRP 47 -5.972 1.444 -0.685 312 HD1 TRP 47 HD1 TRP 47 -4.936 -0.663 0.439 313 HE1 TRP 47 HE1 TRP 47 -5.537 -2.410 2.323 314 HE3 TRP 47 HE3 TRP 47 -9.483 1.319 1.558 315 HZ2 TRP 47 HZ2 TRP 47 -7.796 -2.759 4.032 316 HZ3 TRP 47 HZ3 TRP 47 -10.823 0.214 3.347 317 HH2 TRP 47 HH2 TRP 47 -10.047 -1.757 4.567 318 H ARG 48 HN ARG 48 -8.564 3.861 2.409 319 HA ARG 48 HA ARG 48 -11.063 3.400 1.352 320 1HB ARG 48 2HB ARG 48 -10.909 3.918 3.688 321 2HB ARG 48 3HB ARG 48 -9.979 5.375 3.397 322 1HG ARG 48 2HG ARG 48 -11.859 6.622 2.742 323 2HG ARG 48 3HG ARG 48 -12.750 5.209 2.213 324 1HD ARG 48 2HD ARG 48 -13.415 4.630 4.402 325 2HD ARG 48 3HD ARG 48 -12.061 5.455 5.148 326 HE ARG 48 HE ARG 48 -14.610 6.660 4.326 327 1HH1 ARG 48 2HH2 ARG 48 -11.244 7.275 5.149 328 2HH1 ARG 48 1HH2 ARG 48 -11.518 8.932 5.575 329 1HH2 ARG 48 2HH1 ARG 48 -14.972 8.845 4.887 330 2HH2 ARG 48 1HH1 ARG 48 -13.653 9.831 5.425 331 H ASN 49 HN ASN 49 -8.633 5.861 0.676 332 HA ASN 49 HA ASN 49 -10.409 7.788 -0.335 333 1HB ASN 49 2HB ASN 49 -8.099 8.350 0.402 334 2HB ASN 49 3HB ASN 49 -7.424 7.314 -0.840 335 1HD2 ASN 49 1HD2 ASN 49 -7.316 10.262 -0.238 336 2HD2 ASN 49 2HD2 ASN 49 -7.698 11.061 -1.727 337 H SER 50 HN SER 50 -8.125 5.368 -1.825 338 HA SER 50 HA SER 50 -9.000 5.918 -4.436 339 1HB SER 50 2HB SER 50 -7.106 4.085 -3.096 340 2HB SER 50 3HB SER 50 -7.850 3.377 -4.516 341 HG SER 50 HG SER 50 -6.317 5.820 -4.348 342 H VAL 51 HN VAL 51 -10.087 3.827 -1.808 343 HA VAL 51 HA VAL 51 -11.537 2.013 -3.452 344 HB VAL 51 HB VAL 51 -11.343 2.643 -0.529 345 1HG1 VAL 51 1HG1 VAL 51 -13.535 2.122 -0.308 346 2HG1 VAL 51 2HG1 VAL 51 -13.620 1.331 -1.900 347 3HG1 VAL 51 3HG1 VAL 51 -12.952 0.452 -0.504 348 1HG2 VAL 51 1HG2 VAL 51 -11.143 -0.139 -1.417 349 2HG2 VAL 51 2HG2 VAL 51 -9.980 0.932 -2.235 350 3HG2 VAL 51 3HG2 VAL 51 -10.010 0.842 -0.457 351 H ARG 52 HN ARG 52 -12.556 4.691 -1.208 352 HA ARG 52 HA ARG 52 -15.188 4.621 -1.944 353 1HB ARG 52 2HB ARG 52 -15.394 6.718 -0.792 354 2HB ARG 52 3HB ARG 52 -14.065 5.895 0.001 355 1HG ARG 52 2HG ARG 52 -13.045 7.946 -0.342 356 2HG ARG 52 3HG ARG 52 -12.608 7.181 -1.857 357 1HD ARG 52 2HD ARG 52 -14.217 8.386 -3.095 358 2HD ARG 52 3HD ARG 52 -15.243 8.660 -1.701 359 HE ARG 52 HE ARG 52 -12.647 9.943 -1.394 360 1HH1 ARG 52 2HH2 ARG 52 -15.820 10.293 -2.875 361 2HH1 ARG 52 1HH2 ARG 52 -15.739 12.022 -2.942 362 1HH2 ARG 52 2HH1 ARG 52 -12.540 12.224 -1.482 363 2HH2 ARG 52 1HH1 ARG 52 -13.861 13.128 -2.145 364 H HIS 53 HN HIS 53 -12.355 6.175 -3.462 365 HA HIS 53 HA HIS 53 -13.769 7.924 -5.127 366 1HB HIS 53 2HB HIS 53 -11.351 8.071 -4.559 367 2HB HIS 53 3HB HIS 53 -11.047 6.658 -5.550 368 HD1 HIS 53 HD1 HIS 53 -11.521 6.943 -8.196 369 HD2 HIS 53 HD2 HIS 53 -11.476 10.475 -5.934 370 HE1 HIS 53 HE1 HIS 53 -11.273 8.857 -9.864 371 H ASN 54 HN ASN 54 -12.323 4.648 -5.763 372 HA ASN 54 HA ASN 54 -13.318 4.487 -8.338 373 1HB ASN 54 2HB ASN 54 -11.756 2.886 -6.602 374 2HB ASN 54 3HB ASN 54 -13.150 1.883 -6.952 375 1HD2 ASN 54 1HD2 ASN 54 -11.357 0.618 -7.943 376 2HD2 ASN 54 2HD2 ASN 54 -10.975 0.895 -9.609 377 H LEU 55 HN LEU 55 -14.676 3.813 -5.109 378 HA LEU 55 HA LEU 55 -16.770 2.138 -5.813 379 1HB LEU 55 2HB LEU 55 -15.813 2.922 -3.520 380 2HB LEU 55 3HB LEU 55 -16.996 4.208 -3.656 381 HG LEU 55 HG LEU 55 -18.406 1.830 -4.215 382 1HD1 LEU 55 1HD1 LEU 55 -17.356 0.175 -3.171 383 2HD1 LEU 55 2HD1 LEU 55 -16.144 1.288 -2.492 384 3HD1 LEU 55 3HD1 LEU 55 -17.680 1.017 -1.636 385 1HD2 LEU 55 1HD2 LEU 55 -19.476 3.652 -3.170 386 2HD2 LEU 55 2HD2 LEU 55 -19.455 2.349 -1.958 387 3HD2 LEU 55 3HD2 LEU 55 -18.294 3.693 -1.840 388 H SER 56 HN SER 56 -16.588 5.752 -5.676 389 HA SER 56 HA SER 56 -19.256 5.976 -6.605 390 1HB SER 56 2HB SER 56 -18.695 7.830 -5.334 391 2HB SER 56 3HB SER 56 -17.027 7.835 -5.870 392 HG SER 56 HG SER 56 -17.604 8.856 -7.795 393 H LEU 57 HN LEU 57 -15.973 5.950 -8.000 394 HA LEU 57 HA LEU 57 -16.883 6.884 -10.562 395 1HB LEU 57 2HB LEU 57 -14.343 6.329 -9.220 396 2HB LEU 57 3HB LEU 57 -14.362 5.819 -10.897 397 HG LEU 57 HG LEU 57 -15.278 8.211 -11.380 398 1HD1 LEU 57 1HD1 LEU 57 -14.794 9.925 -9.839 399 2HD1 LEU 57 2HD1 LEU 57 -15.614 8.656 -8.897 400 3HD1 LEU 57 3HD1 LEU 57 -13.846 8.838 -8.796 401 1HD2 LEU 57 1HD2 LEU 57 -12.838 9.086 -11.255 402 2HD2 LEU 57 2HD2 LEU 57 -12.450 7.436 -10.713 403 3HD2 LEU 57 3HD2 LEU 57 -13.214 7.695 -12.300 404 H ASN 58 HN ASN 58 -17.456 4.103 -8.892 405 HA ASN 58 HA ASN 58 -16.958 2.356 -11.137 406 1HB ASN 58 2HB ASN 58 -17.550 2.027 -8.214 407 2HB ASN 58 3HB ASN 58 -18.230 0.790 -9.253 408 1HD2 ASN 58 1HD2 ASN 58 -16.942 -0.863 -8.677 409 2HD2 ASN 58 2HD2 ASN 58 -15.238 -0.954 -8.979 410 H ASP 59 HN ASP 59 -19.667 2.008 -8.814 411 HA ASP 59 HA ASP 59 -21.528 1.393 -10.684 412 1HB ASP 59 2HB ASP 59 -21.435 1.826 -7.881 413 2HB ASP 59 3HB ASP 59 -22.712 2.884 -8.450 414 H CYS 60 HN CYS 60 -20.743 4.584 -9.142 415 HA CYS 60 HA CYS 60 -20.857 6.613 -10.092 416 1HB CYS 60 2HB CYS 60 -21.321 5.201 -12.362 417 2HB CYS 60 3HB CYS 60 -22.878 5.986 -12.181 418 HG CYS 60 HG CYS 60 -20.639 7.117 -13.652 419 H PHE 61 HN PHE 61 -22.053 6.271 -7.829 420 HA PHE 61 HA PHE 61 -24.857 7.050 -8.222 421 1HB PHE 61 2HB PHE 61 -24.791 6.125 -5.673 422 2HB PHE 61 3HB PHE 61 -24.992 5.019 -7.018 423 HD1 PHE 61 HD1 PHE 61 -22.018 6.732 -5.530 424 HD2 PHE 61 HD2 PHE 61 -23.843 3.066 -6.641 425 HE1 PHE 61 HE1 PHE 61 -19.956 5.490 -4.818 426 HE2 PHE 61 HE2 PHE 61 -21.781 1.824 -5.929 427 HZ PHE 61 HZ PHE 61 -19.862 3.051 -5.026 428 H VAL 62 HN VAL 62 -25.355 7.819 -5.528 429 HA VAL 62 HA VAL 62 -23.555 10.133 -5.304 430 HB VAL 62 HB VAL 62 -26.519 9.874 -4.771 431 1HG1 VAL 62 1HG1 VAL 62 -25.713 11.281 -3.043 432 2HG1 VAL 62 2HG1 VAL 62 -24.584 12.115 -4.137 433 3HG1 VAL 62 3HG1 VAL 62 -26.337 12.375 -4.301 434 1HG2 VAL 62 1HG2 VAL 62 -26.376 10.214 -7.048 435 2HG2 VAL 62 2HG2 VAL 62 -26.406 11.895 -6.465 436 3HG2 VAL 62 3HG2 VAL 62 -24.861 11.141 -6.928 437 H LYS 63 HN LYS 63 -23.266 10.965 -3.060 438 HA LYS 63 HA LYS 63 -23.530 8.770 -1.123 439 1HB LYS 63 2HB LYS 63 -21.400 9.189 -0.284 440 2HB LYS 63 3HB LYS 63 -21.182 9.309 -2.018 441 1HG LYS 63 2HG LYS 63 -21.905 11.920 -1.287 442 2HG LYS 63 3HG LYS 63 -20.907 11.396 0.054 443 1HD LYS 63 2HD LYS 63 -19.861 10.716 -2.666 444 2HD LYS 63 3HD LYS 63 -19.905 12.426 -2.283 445 1HE LYS 63 2HE LYS 63 -18.867 10.850 -0.025 446 2HE LYS 63 3HE LYS 63 -17.930 10.575 -1.480 447 1HZ LYS 63 1HZ LYS 63 -16.969 12.440 -0.656 448 2HZ LYS 63 2HZ LYS 63 -18.073 13.138 -1.637 449 3HZ LYS 63 3HZ LYS 63 -18.347 13.054 -0.030 450 H VAL 64 HN VAL 64 -23.663 9.528 1.182 451 HA VAL 64 HA VAL 64 -25.028 12.130 1.282 452 HB VAL 64 HB VAL 64 -25.618 9.585 2.807 453 1HG1 VAL 64 1HG1 VAL 64 -27.729 11.312 3.231 454 2HG1 VAL 64 2HG1 VAL 64 -26.413 10.976 4.382 455 3HG1 VAL 64 3HG1 VAL 64 -26.317 12.393 3.310 456 1HG2 VAL 64 1HG2 VAL 64 -26.321 9.842 0.319 457 2HG2 VAL 64 2HG2 VAL 64 -27.538 9.320 1.508 458 3HG2 VAL 64 3HG2 VAL 64 -27.513 11.008 0.943 459 H LEU 65 HN LEU 65 -23.859 13.605 2.387 460 HA LEU 65 HA LEU 65 -21.523 13.230 3.631 461 1HB LEU 65 2HB LEU 65 -23.743 15.188 4.110 462 2HB LEU 65 3HB LEU 65 -22.293 15.242 5.092 463 HG LEU 65 HG LEU 65 -21.364 15.118 2.443 464 1HD1 LEU 65 1HD1 LEU 65 -22.672 17.425 1.833 465 2HD1 LEU 65 2HD1 LEU 65 -23.099 15.817 1.201 466 3HD1 LEU 65 3HD1 LEU 65 -23.973 16.483 2.601 467 1HD2 LEU 65 1HD2 LEU 65 -20.411 17.246 2.908 468 2HD2 LEU 65 2HD2 LEU 65 -21.652 17.613 4.130 469 3HD2 LEU 65 3HD2 LEU 65 -20.444 16.343 4.441 470 H ARG 66 HN ARG 66 -20.793 13.017 5.860 471 HA ARG 66 HA ARG 66 -21.858 10.870 7.111 472 1HB ARG 66 2HB ARG 66 -19.588 11.775 7.563 473 2HB ARG 66 3HB ARG 66 -20.278 13.189 8.333 474 1HG ARG 66 2HG ARG 66 -21.480 11.450 9.914 475 2HG ARG 66 3HG ARG 66 -20.282 10.318 9.319 476 1HD ARG 66 2HD ARG 66 -18.663 12.459 9.925 477 2HD ARG 66 3HD ARG 66 -19.930 12.684 11.115 478 HE ARG 66 HE ARG 66 -19.409 10.011 11.382 479 1HH1 ARG 66 2HH2 ARG 66 -17.283 12.812 11.271 480 2HH1 ARG 66 1HH2 ARG 66 -16.069 12.090 12.273 481 1HH2 ARG 66 2HH1 ARG 66 -17.808 9.058 12.705 482 2HH2 ARG 66 1HH1 ARG 66 -16.369 9.940 13.094 483 H ASP 67 HN ASP 67 -23.960 10.697 7.859 484 HA ASP 67 HA ASP 67 -25.051 13.031 9.202 485 1HB ASP 67 2HB ASP 67 -26.240 11.848 7.219 486 2HB ASP 67 3HB ASP 67 -26.550 10.527 8.328 487 HA PRO 68 HA PRO 68 -24.470 10.493 12.800 488 1HB PRO 68 2HB PRO 68 -25.007 12.411 14.671 489 2HB PRO 68 3HB PRO 68 -23.420 12.178 13.966 490 1HG PRO 68 2HG PRO 68 -25.397 14.305 13.416 491 2HG PRO 68 3HG PRO 68 -23.681 14.283 13.061 492 1HD PRO 68 2HD PRO 68 -25.824 13.871 11.199 493 2HD PRO 68 3HD PRO 68 -24.109 13.734 10.869 494 H SER 69 HN SER 69 -26.274 9.179 12.039 495 HA SER 69 HA SER 69 -28.211 9.137 14.034 496 1HB SER 69 2HB SER 69 -28.843 11.080 12.206 497 2HB SER 69 3HB SER 69 -29.618 9.697 11.460 498 HG SER 69 HG SER 69 -31.192 9.923 12.881 499 H ARG 70 HN ARG 70 -28.408 8.558 10.445 500 HA ARG 70 HA ARG 70 -29.577 6.211 10.423 501 1HB ARG 70 2HB ARG 70 -28.206 7.690 8.562 502 2HB ARG 70 3HB ARG 70 -27.133 6.310 8.682 503 1HG ARG 70 2HG ARG 70 -28.527 5.141 7.334 504 2HG ARG 70 3HG ARG 70 -29.759 5.215 8.578 505 1HD ARG 70 2HD ARG 70 -29.798 7.782 7.359 506 2HD ARG 70 3HD ARG 70 -29.624 6.654 6.029 507 HE ARG 70 HE ARG 70 -31.653 5.790 7.938 508 1HH1 ARG 70 2HH2 ARG 70 -31.056 7.886 5.175 509 2HH1 ARG 70 1HH2 ARG 70 -32.716 7.922 4.681 510 1HH2 ARG 70 2HH1 ARG 70 -33.843 5.837 7.287 511 2HH2 ARG 70 1HH1 ARG 70 -34.312 6.748 5.890 512 HA PRO 71 HA PRO 71 -26.627 3.857 12.805 513 1HB PRO 71 2HB PRO 71 -28.395 2.002 13.752 514 2HB PRO 71 3HB PRO 71 -28.056 3.511 14.577 515 1HG PRO 71 2HG PRO 71 -30.438 2.756 12.997 516 2HG PRO 71 3HG PRO 71 -30.258 4.056 14.159 517 1HD PRO 71 2HD PRO 71 -30.281 4.300 11.301 518 2HD PRO 71 3HD PRO 71 -29.986 5.580 12.460 519 H TRP 72 HN TRP 72 -28.429 3.165 10.085 520 HA TRP 72 HA TRP 72 -28.132 0.523 9.637 521 1HB TRP 72 2HB TRP 72 -28.208 2.942 7.958 522 2HB TRP 72 3HB TRP 72 -27.478 1.545 7.193 523 HD1 TRP 72 HD1 TRP 72 -30.862 2.913 8.208 524 HE1 TRP 72 HE1 TRP 72 -32.838 1.316 7.494 525 HE3 TRP 72 HE3 TRP 72 -27.915 -1.029 6.933 526 HZ2 TRP 72 HZ2 TRP 72 -32.945 -1.356 6.497 527 HZ3 TRP 72 HZ3 TRP 72 -29.034 -3.094 6.098 528 HH2 TRP 72 HH2 TRP 72 -31.460 -3.296 5.872 529 H GLY 73 HN GLY 73 -25.648 3.111 9.034 530 1HA GLY 73 1HA GLY 73 -23.604 1.022 8.742 531 2HA GLY 73 2HA GLY 73 -23.469 2.704 8.271 532 H LYS 74 HN LYS 74 -21.592 3.219 9.447 533 HA LYS 74 HA LYS 74 -22.040 3.600 12.272 534 1HB LYS 74 2HB LYS 74 -20.605 1.311 11.347 535 2HB LYS 74 3HB LYS 74 -19.444 2.411 12.063 536 1HG LYS 74 2HG LYS 74 -21.996 2.095 13.587 537 2HG LYS 74 3HG LYS 74 -20.998 0.657 13.504 538 1HD LYS 74 2HD LYS 74 -19.091 1.816 14.474 539 2HD LYS 74 3HD LYS 74 -19.876 3.375 14.311 540 1HE LYS 74 2HE LYS 74 -21.752 2.000 15.808 541 2HE LYS 74 3HE LYS 74 -20.268 1.264 16.380 542 1HZ LYS 74 1HZ LYS 74 -20.732 3.182 17.663 543 2HZ LYS 74 2HZ LYS 74 -19.422 3.524 16.749 544 3HZ LYS 74 3HZ LYS 74 -20.882 4.136 16.346 545 H ASP 75 HN ASP 75 -21.675 5.111 9.647 546 HA ASP 75 HA ASP 75 -19.954 7.054 10.746 547 1HB ASP 75 2HB ASP 75 -18.467 5.252 9.488 548 2HB ASP 75 3HB ASP 75 -19.076 6.017 8.034 549 H ASN 76 HN ASN 76 -20.935 5.867 7.431 550 HA ASN 76 HA ASN 76 -22.931 7.861 7.237 551 1HB ASN 76 2HB ASN 76 -21.975 9.124 5.358 552 2HB ASN 76 3HB ASN 76 -20.847 9.190 6.698 553 1HD2 ASN 76 1HD2 ASN 76 -19.949 9.732 4.234 554 2HD2 ASN 76 2HD2 ASN 76 -18.927 8.475 3.621 555 H TYR 77 HN TYR 77 -23.886 7.742 4.843 556 HA TYR 77 HA TYR 77 -23.304 5.138 3.634 557 1HB TYR 77 2HB TYR 77 -25.929 5.072 3.411 558 2HB TYR 77 3HB TYR 77 -25.270 4.730 4.999 559 HD1 TYR 77 HD1 TYR 77 -25.088 6.748 6.651 560 HD2 TYR 77 HD2 TYR 77 -27.547 6.747 3.150 561 HE1 TYR 77 HE1 TYR 77 -26.499 8.622 7.632 562 HE2 TYR 77 HE2 TYR 77 -28.949 8.620 4.143 563 HH TYR 77 HH TYR 77 -27.936 10.366 6.892 564 H TRP 78 HN TRP 78 -24.158 4.954 1.388 565 HA TRP 78 HA TRP 78 -24.321 7.620 0.156 566 1HB TRP 78 2HB TRP 78 -23.187 5.066 -0.998 567 2HB TRP 78 3HB TRP 78 -23.316 6.601 -1.833 568 HD1 TRP 78 HD1 TRP 78 -22.284 7.415 1.611 569 HE1 TRP 78 HE1 TRP 78 -19.691 7.830 1.875 570 HE3 TRP 78 HE3 TRP 78 -20.977 5.427 -2.882 571 HZ2 TRP 78 HZ2 TRP 78 -17.435 7.291 0.212 572 HZ3 TRP 78 HZ3 TRP 78 -18.558 5.410 -3.486 573 HH2 TRP 78 HH2 TRP 78 -16.814 6.300 -2.022 574 H MET 79 HN MET 79 -25.596 7.534 -1.995 575 HA MET 79 HA MET 79 -27.767 5.604 -1.706 576 1HB MET 79 2HB MET 79 -28.687 7.731 -1.035 577 2HB MET 79 3HB MET 79 -27.789 8.604 -2.260 578 1HG MET 79 2HG MET 79 -29.250 7.957 -3.997 579 2HG MET 79 3HG MET 79 -29.781 6.513 -3.159 580 1HE MET 79 1HE MET 79 -30.848 6.612 -0.857 581 2HE MET 79 2HE MET 79 -32.260 7.656 -0.566 582 3HE MET 79 3HE MET 79 -32.255 6.531 -1.945 583 H LEU 80 HN LEU 80 -27.619 4.192 -3.398 584 HA LEU 80 HA LEU 80 -26.961 5.356 -6.016 585 1HB LEU 80 2HB LEU 80 -25.882 3.296 -6.605 586 2HB LEU 80 3HB LEU 80 -25.154 3.972 -5.161 587 HG LEU 80 HG LEU 80 -27.284 2.036 -4.577 588 1HD1 LEU 80 1HD1 LEU 80 -26.683 0.777 -6.425 589 2HD1 LEU 80 2HD1 LEU 80 -24.970 1.250 -6.326 590 3HD1 LEU 80 3HD1 LEU 80 -25.646 0.103 -5.145 591 1HD2 LEU 80 1HD2 LEU 80 -25.870 1.370 -2.856 592 2HD2 LEU 80 2HD2 LEU 80 -24.402 1.881 -3.724 593 3HD2 LEU 80 3HD2 LEU 80 -25.502 3.102 -3.039 594 H ASN 81 HN ASN 81 -28.103 4.483 -7.858 595 HA ASN 81 HA ASN 81 -30.133 2.577 -7.439 596 1HB ASN 81 2HB ASN 81 -31.262 4.577 -6.436 597 2HB ASN 81 3HB ASN 81 -30.970 5.489 -7.904 598 1HD2 ASN 81 1HD2 ASN 81 -33.106 3.559 -6.235 599 2HD2 ASN 81 2HD2 ASN 81 -34.210 3.134 -7.501 600 HA PRO 82 HA PRO 82 -29.355 2.593 -11.763 601 1HB PRO 82 2HB PRO 82 -31.225 0.782 -12.594 602 2HB PRO 82 3HB PRO 82 -29.681 0.318 -11.908 603 1HG PRO 82 2HG PRO 82 -32.360 0.241 -10.662 604 2HG PRO 82 3HG PRO 82 -30.898 -0.593 -10.174 605 1HD PRO 82 2HD PRO 82 -32.033 1.739 -8.950 606 2HD PRO 82 3HD PRO 82 -30.512 0.974 -8.537 Start of MODEL 9 1 H TYR 8 HN TYR 8 8.847 -7.980 -12.210 2 HA TYR 8 HA TYR 8 7.677 -10.573 -12.586 3 1HB TYR 8 2HB TYR 8 7.258 -7.695 -13.580 4 2HB TYR 8 3HB TYR 8 6.242 -8.998 -14.165 5 HD1 TYR 8 HD1 TYR 8 7.517 -7.927 -10.790 6 HD2 TYR 8 HD2 TYR 8 4.148 -9.025 -13.187 7 HE1 TYR 8 HE1 TYR 8 5.985 -7.641 -8.781 8 HE2 TYR 8 HE2 TYR 8 2.627 -8.735 -11.170 9 HH TYR 8 HH TYR 8 3.848 -8.448 -8.021 10 H ILE 9 HN ILE 9 9.425 -8.136 -14.615 11 HA ILE 9 HA ILE 9 9.199 -9.666 -16.978 12 HB ILE 9 HB ILE 9 9.515 -7.239 -16.917 13 1HG1 ILE 9 2HG1 ILE 9 11.887 -8.431 -18.345 14 2HG1 ILE 9 3HG1 ILE 9 10.252 -8.823 -18.841 15 1HG2 ILE 9 1HG2 ILE 9 11.042 -7.097 -15.009 16 2HG2 ILE 9 2HG2 ILE 9 12.327 -7.862 -15.973 17 3HG2 ILE 9 3HG2 ILE 9 11.701 -6.262 -16.436 18 1HD1 ILE 9 1HD1 ILE 9 11.663 -6.625 -19.720 19 2HD1 ILE 9 2HD1 ILE 9 9.887 -6.751 -19.738 20 3HD1 ILE 9 3HD1 ILE 9 10.707 -5.921 -18.393 21 H ALA 10 HN ALA 10 11.786 -9.260 -14.482 22 HA ALA 10 HA ALA 10 13.638 -10.929 -15.748 23 1HB ALA 10 1HB ALA 10 13.451 -10.674 -12.751 24 2HB ALA 10 2HB ALA 10 14.887 -10.644 -13.803 25 3HB ALA 10 3HB ALA 10 13.806 -9.232 -13.731 26 H LEU 11 HN LEU 11 10.904 -11.547 -13.503 27 HA LEU 11 HA LEU 11 11.533 -14.191 -12.908 28 1HB LEU 11 2HB LEU 11 9.965 -13.161 -11.552 29 2HB LEU 11 3HB LEU 11 9.036 -12.540 -12.903 30 HG LEU 11 HG LEU 11 8.670 -15.169 -13.336 31 1HD1 LEU 11 1HD1 LEU 11 8.139 -15.785 -10.697 32 2HD1 LEU 11 2HD1 LEU 11 9.493 -16.404 -11.672 33 3HD1 LEU 11 3HD1 LEU 11 9.730 -14.990 -10.618 34 1HD2 LEU 11 1HD2 LEU 11 7.179 -13.072 -11.883 35 2HD2 LEU 11 2HD2 LEU 11 6.692 -14.100 -13.252 36 3HD2 LEU 11 3HD2 LEU 11 6.636 -14.742 -11.593 37 H ILE 12 HN ILE 12 9.390 -12.808 -15.493 38 HA ILE 12 HA ILE 12 8.824 -15.304 -16.638 39 HB ILE 12 HB ILE 12 8.211 -12.541 -17.070 40 1HG1 ILE 12 2HG1 ILE 12 6.230 -13.586 -18.235 41 2HG1 ILE 12 3HG1 ILE 12 6.967 -15.153 -17.969 42 1HG2 ILE 12 1HG2 ILE 12 8.934 -14.098 -19.566 43 2HG2 ILE 12 2HG2 ILE 12 7.974 -12.600 -19.540 44 3HG2 ILE 12 3HG2 ILE 12 9.667 -12.582 -18.990 45 1HD1 ILE 12 1HD1 ILE 12 5.480 -13.490 -16.098 46 2HD1 ILE 12 2HD1 ILE 12 6.017 -15.177 -15.914 47 3HD1 ILE 12 3HD1 ILE 12 7.102 -13.842 -15.455 48 H THR 13 HN THR 13 11.478 -12.943 -17.049 49 HA THR 13 HA THR 13 12.539 -13.991 -19.413 50 HB THR 13 HB THR 13 13.691 -12.462 -17.031 51 HG1 THR 13 HG1 THR 13 13.011 -11.920 -19.837 52 1HG2 THR 13 1HG2 THR 13 15.042 -12.364 -19.697 53 2HG2 THR 13 2HG2 THR 13 15.754 -12.291 -18.067 54 3HG2 THR 13 3HG2 THR 13 15.308 -13.863 -18.773 55 H MET 14 HN MET 14 13.298 -14.776 -15.961 56 HA MET 14 HA MET 14 15.174 -16.724 -16.701 57 1HB MET 14 2HB MET 14 15.034 -17.334 -14.265 58 2HB MET 14 3HB MET 14 15.159 -15.599 -14.479 59 1HG MET 14 2HG MET 14 12.828 -15.254 -14.016 60 2HG MET 14 3HG MET 14 12.438 -16.944 -14.262 61 1HE MET 14 1HE MET 14 11.849 -17.966 -11.065 62 2HE MET 14 2HE MET 14 11.371 -16.251 -11.050 63 3HE MET 14 3HE MET 14 11.202 -17.209 -12.541 64 H ALA 15 HN ALA 15 11.666 -16.687 -16.406 65 HA ALA 15 HA ALA 15 11.352 -19.481 -15.999 66 1HB ALA 15 1HB ALA 15 9.109 -18.161 -17.302 67 2HB ALA 15 2HB ALA 15 9.226 -18.832 -15.657 68 3HB ALA 15 3HB ALA 15 9.752 -17.162 -15.977 69 H ILE 16 HN ILE 16 10.845 -17.318 -18.883 70 HA ILE 16 HA ILE 16 10.549 -19.511 -20.637 71 HB ILE 16 HB ILE 16 9.498 -17.488 -21.198 72 1HG1 ILE 16 2HG1 ILE 16 11.510 -17.032 -23.231 73 2HG1 ILE 16 3HG1 ILE 16 11.314 -18.750 -22.947 74 1HG2 ILE 16 1HG2 ILE 16 11.583 -15.650 -21.769 75 2HG2 ILE 16 2HG2 ILE 16 10.295 -15.526 -20.547 76 3HG2 ILE 16 3HG2 ILE 16 11.854 -16.273 -20.124 77 1HD1 ILE 16 1HD1 ILE 16 9.577 -18.479 -24.437 78 2HD1 ILE 16 2HD1 ILE 16 8.693 -18.030 -22.959 79 3HD1 ILE 16 3HD1 ILE 16 9.352 -16.763 -24.022 80 H ARG 17 HN ARG 17 13.294 -17.818 -19.244 81 HA ARG 17 HA ARG 17 15.151 -18.255 -21.201 82 1HB ARG 17 2HB ARG 17 15.781 -16.866 -19.358 83 2HB ARG 17 3HB ARG 17 15.313 -18.067 -18.171 84 1HG ARG 17 2HG ARG 17 17.492 -18.798 -20.125 85 2HG ARG 17 3HG ARG 17 17.890 -17.668 -18.847 86 1HD ARG 17 2HD ARG 17 17.704 -19.265 -17.181 87 2HD ARG 17 3HD ARG 17 16.365 -20.082 -17.961 88 HE ARG 17 HE ARG 17 17.905 -21.546 -18.912 89 1HH1 ARG 17 2HH2 ARG 17 19.545 -18.511 -18.213 90 2HH1 ARG 17 1HH2 ARG 17 21.096 -19.083 -18.728 91 1HH2 ARG 17 2HH1 ARG 17 19.952 -22.301 -19.593 92 2HH2 ARG 17 1HH1 ARG 17 21.330 -21.253 -19.519 93 H ASP 18 HN ASP 18 13.392 -20.536 -19.315 94 HA ASP 18 HA ASP 18 15.189 -22.491 -18.778 95 1HB ASP 18 2HB ASP 18 12.779 -22.523 -18.142 96 2HB ASP 18 3HB ASP 18 12.330 -22.781 -19.816 97 H SER 19 HN SER 19 14.071 -21.252 -21.850 98 HA SER 19 HA SER 19 14.706 -23.667 -23.268 99 1HB SER 19 2HB SER 19 13.692 -22.672 -25.127 100 2HB SER 19 3HB SER 19 12.810 -21.933 -23.805 101 HG SER 19 HG SER 19 13.587 -20.008 -24.342 102 H ALA 20 HN ALA 20 15.659 -21.858 -25.615 103 HA ALA 20 HA ALA 20 18.064 -20.644 -24.772 104 1HB ALA 20 1HB ALA 20 18.561 -23.122 -24.431 105 2HB ALA 20 2HB ALA 20 18.413 -23.306 -26.195 106 3HB ALA 20 3HB ALA 20 19.676 -22.253 -25.513 107 H GLY 21 HN GLY 21 15.719 -20.010 -26.344 108 1HA GLY 21 1HA GLY 21 15.427 -18.740 -28.211 109 2HA GLY 21 2HA GLY 21 17.046 -19.137 -28.752 110 H GLY 22 HN GLY 22 14.293 -21.321 -27.852 111 1HA GLY 22 1HA GLY 22 14.028 -22.128 -30.655 112 2HA GLY 22 2HA GLY 22 14.523 -23.345 -29.496 113 H ARG 23 HN ARG 23 13.096 -23.387 -27.373 114 HA ARG 23 HA ARG 23 10.438 -22.494 -27.745 115 1HB ARG 23 2HB ARG 23 9.409 -24.799 -27.656 116 2HB ARG 23 3HB ARG 23 10.280 -24.497 -29.146 117 1HG ARG 23 2HG ARG 23 11.379 -26.446 -28.716 118 2HG ARG 23 3HG ARG 23 12.287 -25.532 -27.528 119 1HD ARG 23 2HD ARG 23 11.089 -26.403 -25.724 120 2HD ARG 23 3HD ARG 23 9.614 -26.595 -26.650 121 HE ARG 23 HE ARG 23 11.806 -28.532 -26.430 122 1HH1 ARG 23 2HH2 ARG 23 9.024 -27.516 -28.329 123 2HH1 ARG 23 1HH2 ARG 23 8.798 -29.068 -29.065 124 1HH2 ARG 23 2HH1 ARG 23 11.508 -30.580 -27.399 125 2HH2 ARG 23 1HH1 ARG 23 10.221 -30.823 -28.532 126 H LEU 24 HN LEU 24 9.239 -22.595 -25.738 127 HA LEU 24 HA LEU 24 10.602 -23.904 -23.514 128 1HB LEU 24 2HB LEU 24 11.080 -22.059 -22.378 129 2HB LEU 24 3HB LEU 24 11.014 -21.272 -23.942 130 HG LEU 24 HG LEU 24 9.774 -19.884 -22.532 131 1HD1 LEU 24 1HD1 LEU 24 7.286 -21.123 -23.319 132 2HD1 LEU 24 2HD1 LEU 24 8.064 -19.642 -23.926 133 3HD1 LEU 24 3HD1 LEU 24 8.481 -21.221 -24.635 134 1HD2 LEU 24 1HD2 LEU 24 8.693 -20.484 -20.664 135 2HD2 LEU 24 2HD2 LEU 24 7.825 -21.814 -21.468 136 3HD2 LEU 24 3HD2 LEU 24 9.493 -22.057 -20.897 137 H THR 25 HN THR 25 9.188 -24.497 -21.780 138 HA THR 25 HA THR 25 6.385 -24.566 -22.642 139 HB THR 25 HB THR 25 6.263 -26.599 -21.397 140 HG1 THR 25 HG1 THR 25 8.648 -25.430 -20.158 141 1HG2 THR 25 1HG2 THR 25 9.220 -26.853 -21.799 142 2HG2 THR 25 2HG2 THR 25 7.909 -27.926 -22.346 143 3HG2 THR 25 3HG2 THR 25 8.283 -26.443 -23.256 144 H LEU 26 HN LEU 26 5.011 -23.129 -21.826 145 HA LEU 26 HA LEU 26 5.775 -21.560 -19.572 146 1HB LEU 26 2HB LEU 26 3.781 -21.522 -21.675 147 2HB LEU 26 3HB LEU 26 3.067 -21.137 -20.122 148 HG LEU 26 HG LEU 26 3.734 -19.114 -21.273 149 1HD1 LEU 26 1HD1 LEU 26 3.986 -18.388 -19.184 150 2HD1 LEU 26 2HD1 LEU 26 4.788 -19.892 -18.671 151 3HD1 LEU 26 3HD1 LEU 26 5.738 -18.591 -19.427 152 1HD2 LEU 26 1HD2 LEU 26 5.616 -20.314 -22.549 153 2HD2 LEU 26 2HD2 LEU 26 5.875 -18.621 -22.064 154 3HD2 LEU 26 3HD2 LEU 26 6.629 -19.939 -21.134 155 H ALA 27 HN ALA 27 4.089 -24.580 -20.098 156 HA ALA 27 HA ALA 27 2.415 -24.559 -17.864 157 1HB ALA 27 1HB ALA 27 3.136 -27.203 -18.241 158 2HB ALA 27 2HB ALA 27 1.850 -26.350 -19.129 159 3HB ALA 27 3HB ALA 27 3.480 -26.481 -19.831 160 H GLU 28 HN GLU 28 5.782 -25.845 -18.318 161 HA GLU 28 HA GLU 28 5.993 -26.540 -15.602 162 1HB GLU 28 2HB GLU 28 7.937 -26.322 -17.914 163 2HB GLU 28 3HB GLU 28 8.538 -26.612 -16.294 164 1HG GLU 28 2HG GLU 28 8.232 -28.798 -17.142 165 2HG GLU 28 3HG GLU 28 6.787 -28.545 -16.183 166 H ILE 29 HN ILE 29 6.948 -23.701 -17.591 167 HA ILE 29 HA ILE 29 8.564 -22.432 -15.745 168 HB ILE 29 HB ILE 29 7.087 -21.754 -18.175 169 1HG1 ILE 29 2HG1 ILE 29 9.179 -20.689 -18.765 170 2HG1 ILE 29 3HG1 ILE 29 9.752 -20.778 -17.111 171 1HG2 ILE 29 1HG2 ILE 29 7.487 -19.248 -17.740 172 2HG2 ILE 29 2HG2 ILE 29 6.040 -20.009 -17.036 173 3HG2 ILE 29 3HG2 ILE 29 7.463 -19.688 -16.015 174 1HD1 ILE 29 1HD1 ILE 29 10.783 -22.640 -18.144 175 2HD1 ILE 29 2HD1 ILE 29 9.373 -23.361 -17.331 176 3HD1 ILE 29 3HD1 ILE 29 9.325 -23.043 -19.082 177 H ASN 30 HN ASN 30 4.981 -22.143 -16.250 178 HA ASN 30 HA ASN 30 4.683 -20.393 -14.091 179 1HB ASN 30 2HB ASN 30 2.862 -22.045 -15.842 180 2HB ASN 30 3HB ASN 30 2.186 -21.448 -14.339 181 1HD2 ASN 30 1HD2 ASN 30 0.762 -20.196 -15.628 182 2HD2 ASN 30 2HD2 ASN 30 1.252 -18.682 -16.311 183 H GLU 31 HN GLU 31 4.803 -23.921 -14.517 184 HA GLU 31 HA GLU 31 3.448 -24.716 -12.265 185 1HB GLU 31 2HB GLU 31 4.153 -26.254 -14.059 186 2HB GLU 31 3HB GLU 31 5.839 -26.002 -13.654 187 1HG GLU 31 2HG GLU 31 5.611 -27.108 -11.528 188 2HG GLU 31 3HG GLU 31 3.861 -27.035 -11.585 189 H TYR 32 HN TYR 32 6.960 -23.942 -12.724 190 HA TYR 32 HA TYR 32 7.529 -24.387 -9.951 191 1HB TYR 32 2HB TYR 32 9.747 -24.033 -10.753 192 2HB TYR 32 3HB TYR 32 8.953 -24.507 -12.242 193 HD1 TYR 32 HD1 TYR 32 9.607 -21.391 -10.246 194 HD2 TYR 32 HD2 TYR 32 9.292 -23.183 -14.118 195 HE1 TYR 32 HE1 TYR 32 10.310 -19.199 -11.326 196 HE2 TYR 32 HE2 TYR 32 9.996 -20.986 -15.184 197 HH TYR 32 HH TYR 32 11.550 -18.754 -13.851 198 H LEU 33 HN LEU 33 6.603 -21.655 -12.027 199 HA LEU 33 HA LEU 33 7.544 -19.582 -10.437 200 1HB LEU 33 2HB LEU 33 6.098 -19.891 -12.794 201 2HB LEU 33 3HB LEU 33 5.001 -19.029 -11.733 202 HG LEU 33 HG LEU 33 7.126 -17.504 -11.300 203 1HD1 LEU 33 1HD1 LEU 33 7.934 -19.179 -13.560 204 2HD1 LEU 33 2HD1 LEU 33 8.049 -17.435 -13.897 205 3HD1 LEU 33 3HD1 LEU 33 8.903 -18.130 -12.498 206 1HD2 LEU 33 1HD2 LEU 33 6.386 -16.100 -13.290 207 2HD2 LEU 33 2HD2 LEU 33 5.245 -17.415 -13.661 208 3HD2 LEU 33 3HD2 LEU 33 5.131 -16.550 -12.110 209 H MET 34 HN MET 34 4.326 -21.258 -10.439 210 HA MET 34 HA MET 34 3.423 -19.771 -8.233 211 1HB MET 34 2HB MET 34 1.976 -20.939 -9.967 212 2HB MET 34 3HB MET 34 2.492 -22.486 -9.325 213 1HG MET 34 2HG MET 34 1.617 -21.542 -7.012 214 2HG MET 34 3HG MET 34 0.748 -20.384 -7.999 215 1HE MET 34 1HE MET 34 -0.455 -22.056 -6.066 216 2HE MET 34 2HE MET 34 -1.881 -21.747 -7.086 217 3HE MET 34 3HE MET 34 -1.469 -23.413 -6.612 218 H GLY 35 HN GLY 35 5.388 -22.668 -8.620 219 1HA GLY 35 1HA GLY 35 4.893 -23.717 -5.987 220 2HA GLY 35 2HA GLY 35 6.101 -24.241 -7.144 221 H LYS 36 HN LYS 36 7.110 -21.383 -7.514 222 HA LYS 36 HA LYS 36 8.835 -21.422 -5.176 223 1HB LYS 36 2HB LYS 36 9.020 -20.405 -7.971 224 2HB LYS 36 3HB LYS 36 9.893 -19.509 -6.744 225 1HG LYS 36 2HG LYS 36 10.205 -22.438 -6.457 226 2HG LYS 36 3HG LYS 36 10.778 -21.845 -8.003 227 1HD LYS 36 2HD LYS 36 11.579 -20.208 -5.632 228 2HD LYS 36 3HD LYS 36 12.273 -21.816 -5.700 229 1HE LYS 36 2HE LYS 36 12.395 -20.584 -8.342 230 2HE LYS 36 3HE LYS 36 13.103 -19.506 -7.157 231 1HZ LYS 36 1HZ LYS 36 14.695 -21.022 -6.631 232 2HZ LYS 36 2HZ LYS 36 13.812 -22.323 -7.071 233 3HZ LYS 36 3HZ LYS 36 14.496 -21.377 -8.213 234 H PHE 37 HN PHE 37 6.219 -19.576 -6.692 235 HA PHE 37 HA PHE 37 6.318 -17.783 -4.380 236 1HB PHE 37 2HB PHE 37 5.458 -16.953 -7.196 237 2HB PHE 37 3HB PHE 37 5.931 -15.903 -5.876 238 HD1 PHE 37 HD1 PHE 37 6.999 -17.455 -8.856 239 HD2 PHE 37 HD2 PHE 37 8.416 -16.118 -5.087 240 HE1 PHE 37 HE1 PHE 37 9.335 -17.361 -9.768 241 HE2 PHE 37 HE2 PHE 37 10.753 -16.023 -5.999 242 HZ PHE 37 HZ PHE 37 11.184 -16.646 -8.328 243 HA PRO 38 HA PRO 38 2.208 -19.548 -4.706 244 1HB PRO 38 2HB PRO 38 1.814 -19.942 -2.030 245 2HB PRO 38 3HB PRO 38 2.479 -21.168 -3.092 246 1HG PRO 38 2HG PRO 38 3.874 -19.487 -1.100 247 2HG PRO 38 3HG PRO 38 4.413 -20.977 -1.850 248 1HD PRO 38 2HD PRO 38 5.278 -18.320 -2.496 249 2HD PRO 38 3HD PRO 38 5.728 -19.798 -3.322 250 H PHE 39 HN PHE 39 3.079 -17.406 -2.027 251 HA PHE 39 HA PHE 39 0.584 -16.201 -1.886 252 1HB PHE 39 2HB PHE 39 1.923 -14.444 -0.655 253 2HB PHE 39 3HB PHE 39 2.398 -16.060 -0.170 254 HD1 PHE 39 HD1 PHE 39 3.353 -13.300 -2.474 255 HD2 PHE 39 HD2 PHE 39 4.635 -16.708 -0.295 256 HE1 PHE 39 HE1 PHE 39 5.738 -12.772 -3.052 257 HE2 PHE 39 HE2 PHE 39 7.020 -16.181 -0.873 258 HZ PHE 39 HZ PHE 39 7.543 -14.219 -2.245 259 H PHE 40 HN PHE 40 3.258 -15.770 -4.150 260 HA PHE 40 HA PHE 40 2.546 -13.158 -4.971 261 1HB PHE 40 2HB PHE 40 4.778 -14.417 -5.240 262 2HB PHE 40 3HB PHE 40 3.999 -15.451 -6.421 263 HD1 PHE 40 HD1 PHE 40 2.921 -12.020 -6.482 264 HD2 PHE 40 HD2 PHE 40 5.865 -14.707 -7.936 265 HE1 PHE 40 HE1 PHE 40 3.511 -10.390 -8.298 266 HE2 PHE 40 HE2 PHE 40 6.456 -13.078 -9.752 267 HZ PHE 40 HZ PHE 40 5.271 -10.939 -9.911 268 H ARG 41 HN ARG 41 1.145 -16.283 -5.486 269 HA ARG 41 HA ARG 41 -0.019 -15.416 -7.987 270 1HB ARG 41 2HB ARG 41 0.926 -17.728 -7.849 271 2HB ARG 41 3HB ARG 41 -0.167 -18.106 -6.532 272 1HG ARG 41 2HG ARG 41 -1.813 -18.636 -7.996 273 2HG ARG 41 3HG ARG 41 -1.739 -17.037 -8.708 274 1HD ARG 41 2HD ARG 41 -0.210 -17.700 -10.387 275 2HD ARG 41 3HD ARG 41 0.386 -19.060 -9.456 276 HE ARG 41 HE ARG 41 -2.427 -19.395 -10.054 277 1HH1 ARG 41 2HH2 ARG 41 0.775 -19.635 -11.492 278 2HH1 ARG 41 1HH2 ARG 41 0.296 -20.807 -12.675 279 1HH2 ARG 41 2HH1 ARG 41 -3.060 -20.941 -11.613 280 2HH2 ARG 41 1HH1 ARG 41 -1.900 -21.554 -12.744 281 H GLY 42 HN GLY 42 -0.733 -14.161 -5.383 282 1HA GLY 42 1HA GLY 42 -3.613 -14.548 -5.544 283 2HA GLY 42 2HA GLY 42 -2.870 -14.952 -4.009 284 H SER 43 HN SER 43 -2.566 -12.313 -6.504 285 HA SER 43 HA SER 43 -3.025 -10.432 -4.347 286 1HB SER 43 2HB SER 43 -0.574 -10.623 -6.083 287 2HB SER 43 3HB SER 43 -1.157 -9.021 -5.679 288 HG SER 43 HG SER 43 -0.919 -10.931 -3.567 289 H TYR 44 HN TYR 44 -2.118 -10.462 -7.880 290 HA TYR 44 HA TYR 44 -4.512 -8.816 -8.358 291 1HB TYR 44 2HB TYR 44 -3.009 -8.142 -10.409 292 2HB TYR 44 3HB TYR 44 -2.499 -7.541 -8.843 293 HD1 TYR 44 HD1 TYR 44 -1.592 -9.533 -11.705 294 HD2 TYR 44 HD2 TYR 44 -0.651 -8.791 -7.598 295 HE1 TYR 44 HE1 TYR 44 0.686 -10.616 -12.024 296 HE2 TYR 44 HE2 TYR 44 1.624 -9.876 -7.930 297 HH TYR 44 HH TYR 44 2.737 -10.788 -11.119 298 H THR 45 HN THR 45 -5.801 -9.284 -10.196 299 HA THR 45 HA THR 45 -5.621 -12.047 -11.035 300 HB THR 45 HB THR 45 -7.627 -9.842 -11.743 301 HG1 THR 45 HG1 THR 45 -7.692 -10.127 -9.489 302 1HG2 THR 45 1HG2 THR 45 -7.418 -12.450 -12.745 303 2HG2 THR 45 2HG2 THR 45 -8.513 -12.643 -11.355 304 3HG2 THR 45 3HG2 THR 45 -8.923 -11.504 -12.660 305 H GLY 46 HN GLY 46 -3.322 -10.879 -11.890 306 1HA GLY 46 1HA GLY 46 -3.709 -10.978 -14.783 307 2HA GLY 46 2HA GLY 46 -3.010 -9.511 -14.126 308 H TRP 47 HN TRP 47 -2.648 -13.122 -13.964 309 HA TRP 47 HA TRP 47 0.211 -12.715 -13.477 310 1HB TRP 47 2HB TRP 47 -1.753 -14.589 -12.523 311 2HB TRP 47 3HB TRP 47 -0.469 -15.451 -13.346 312 HD1 TRP 47 HD1 TRP 47 -0.345 -12.426 -10.850 313 HE1 TRP 47 HE1 TRP 47 1.422 -12.884 -8.945 314 HE3 TRP 47 HE3 TRP 47 1.014 -17.040 -12.497 315 HZ2 TRP 47 HZ2 TRP 47 3.151 -15.076 -8.354 316 HZ3 TRP 47 HZ3 TRP 47 2.749 -18.272 -11.198 317 HH2 TRP 47 HH2 TRP 47 3.807 -17.362 -9.192 318 H ARG 48 HN ARG 48 -1.563 -15.421 -15.081 319 HA ARG 48 HA ARG 48 0.331 -15.863 -16.957 320 1HB ARG 48 2HB ARG 48 -1.698 -17.309 -16.383 321 2HB ARG 48 3HB ARG 48 -2.676 -16.244 -17.373 322 1HG ARG 48 2HG ARG 48 -0.831 -16.745 -19.228 323 2HG ARG 48 3HG ARG 48 -0.484 -18.146 -18.234 324 1HD ARG 48 2HD ARG 48 -3.387 -17.709 -18.739 325 2HD ARG 48 3HD ARG 48 -2.453 -18.041 -20.184 326 HE ARG 48 HE ARG 48 -3.140 -19.948 -18.153 327 1HH1 ARG 48 2HH2 ARG 48 -0.444 -19.041 -20.225 328 2HH1 ARG 48 1HH2 ARG 48 0.235 -20.634 -20.254 329 1HH2 ARG 48 2HH1 ARG 48 -2.243 -22.049 -18.190 330 2HH2 ARG 48 1HH1 ARG 48 -0.795 -22.357 -19.089 331 H ASN 49 HN ASN 49 -2.133 -13.343 -16.818 332 HA ASN 49 HA ASN 49 -2.173 -12.796 -19.573 333 1HB ASN 49 2HB ASN 49 -2.909 -11.111 -17.125 334 2HB ASN 49 3HB ASN 49 -3.200 -10.579 -18.769 335 1HD2 ASN 49 1HD2 ASN 49 -5.347 -10.652 -17.353 336 2HD2 ASN 49 2HD2 ASN 49 -6.361 -12.023 -17.660 337 H SER 50 HN SER 50 -0.632 -11.238 -16.661 338 HA SER 50 HA SER 50 0.773 -9.365 -18.217 339 1HB SER 50 2HB SER 50 1.769 -8.667 -16.145 340 2HB SER 50 3HB SER 50 0.115 -9.114 -15.777 341 HG SER 50 HG SER 50 2.547 -10.419 -15.076 342 H VAL 51 HN VAL 51 1.304 -12.698 -17.209 343 HA VAL 51 HA VAL 51 4.123 -12.691 -17.411 344 HB VAL 51 HB VAL 51 2.005 -14.837 -17.489 345 1HG1 VAL 51 1HG1 VAL 51 4.476 -16.024 -16.854 346 2HG1 VAL 51 2HG1 VAL 51 3.502 -16.266 -18.324 347 3HG1 VAL 51 3HG1 VAL 51 4.779 -15.026 -18.296 348 1HG2 VAL 51 1HG2 VAL 51 4.041 -14.630 -15.323 349 2HG2 VAL 51 2HG2 VAL 51 2.790 -13.365 -15.383 350 3HG2 VAL 51 3HG2 VAL 51 2.319 -15.076 -15.245 351 H ARG 52 HN ARG 52 1.503 -13.866 -19.645 352 HA ARG 52 HA ARG 52 3.270 -14.442 -21.693 353 1HB ARG 52 2HB ARG 52 0.828 -15.204 -21.426 354 2HB ARG 52 3HB ARG 52 0.340 -13.622 -22.000 355 1HG ARG 52 2HG ARG 52 2.322 -14.604 -23.836 356 2HG ARG 52 3HG ARG 52 1.200 -15.918 -23.546 357 1HD ARG 52 2HD ARG 52 -0.712 -14.283 -24.007 358 2HD ARG 52 3HD ARG 52 0.489 -13.097 -24.479 359 HE ARG 52 HE ARG 52 1.190 -15.261 -26.021 360 1HH1 ARG 52 2HH2 ARG 52 -1.876 -13.623 -25.478 361 2HH1 ARG 52 1HH2 ARG 52 -2.503 -14.002 -27.048 362 1HH2 ARG 52 2HH1 ARG 52 0.364 -15.762 -28.092 363 2HH2 ARG 52 1HH1 ARG 52 -1.220 -15.227 -28.545 364 H HIS 53 HN HIS 53 1.589 -11.459 -20.684 365 HA HIS 53 HA HIS 53 1.899 -10.030 -23.057 366 1HB HIS 53 2HB HIS 53 1.164 -9.497 -20.267 367 2HB HIS 53 3HB HIS 53 1.978 -8.146 -21.029 368 HD1 HIS 53 HD1 HIS 53 0.725 -6.871 -22.898 369 HD2 HIS 53 HD2 HIS 53 -1.366 -10.191 -21.413 370 HE1 HIS 53 HE1 HIS 53 -1.648 -6.691 -23.818 371 H ASN 54 HN ASN 54 3.899 -10.000 -20.018 372 HA ASN 54 HA ASN 54 5.852 -8.365 -21.130 373 1HB ASN 54 2HB ASN 54 5.315 -9.588 -18.618 374 2HB ASN 54 3HB ASN 54 6.886 -10.211 -19.084 375 1HD2 ASN 54 1HD2 ASN 54 5.409 -7.867 -17.414 376 2HD2 ASN 54 2HD2 ASN 54 6.565 -6.580 -17.496 377 H LEU 55 HN LEU 55 5.238 -11.882 -21.082 378 HA LEU 55 HA LEU 55 7.784 -12.794 -21.728 379 1HB LEU 55 2HB LEU 55 5.025 -13.811 -21.766 380 2HB LEU 55 3HB LEU 55 6.093 -14.577 -22.925 381 HG LEU 55 HG LEU 55 6.804 -14.318 -19.998 382 1HD1 LEU 55 1HD1 LEU 55 4.595 -15.580 -20.551 383 2HD1 LEU 55 2HD1 LEU 55 5.683 -16.848 -21.166 384 3HD1 LEU 55 3HD1 LEU 55 5.793 -16.327 -19.467 385 1HD2 LEU 55 1HD2 LEU 55 8.646 -14.749 -21.595 386 2HD2 LEU 55 2HD2 LEU 55 8.387 -16.085 -20.448 387 3HD2 LEU 55 3HD2 LEU 55 7.808 -16.228 -22.125 388 H SER 56 HN SER 56 4.973 -12.009 -23.894 389 HA SER 56 HA SER 56 6.580 -12.351 -26.190 390 1HB SER 56 2HB SER 56 4.560 -12.400 -27.200 391 2HB SER 56 3HB SER 56 3.831 -12.168 -25.624 392 HG SER 56 HG SER 56 4.568 -10.120 -27.531 393 H LEU 57 HN LEU 57 5.735 -9.687 -24.009 394 HA LEU 57 HA LEU 57 6.600 -7.658 -25.854 395 1HB LEU 57 2HB LEU 57 5.714 -7.646 -22.973 396 2HB LEU 57 3HB LEU 57 6.304 -6.210 -23.786 397 HG LEU 57 HG LEU 57 4.114 -7.704 -25.143 398 1HD1 LEU 57 1HD1 LEU 57 2.738 -5.981 -23.444 399 2HD1 LEU 57 2HD1 LEU 57 2.762 -7.759 -23.377 400 3HD1 LEU 57 3HD1 LEU 57 3.899 -6.816 -22.384 401 1HD2 LEU 57 1HD2 LEU 57 5.114 -4.906 -24.925 402 2HD2 LEU 57 2HD2 LEU 57 4.585 -5.835 -26.349 403 3HD2 LEU 57 3HD2 LEU 57 3.378 -5.147 -25.237 404 H ASN 58 HN ASN 58 8.227 -10.050 -24.279 405 HA ASN 58 HA ASN 58 10.368 -8.349 -23.360 406 1HB ASN 58 2HB ASN 58 9.918 -10.191 -21.874 407 2HB ASN 58 3HB ASN 58 9.776 -11.334 -23.194 408 1HD2 ASN 58 1HD2 ASN 58 11.287 -12.410 -21.600 409 2HD2 ASN 58 2HD2 ASN 58 12.989 -12.201 -21.847 410 H ASP 59 HN ASP 59 10.707 -11.610 -24.848 411 HA ASP 59 HA ASP 59 12.746 -10.609 -26.552 412 1HB ASP 59 2HB ASP 59 11.727 -13.213 -25.635 413 2HB ASP 59 3HB ASP 59 12.104 -13.245 -27.346 414 H CYS 60 HN CYS 60 9.357 -11.803 -26.772 415 HA CYS 60 HA CYS 60 7.827 -11.251 -28.313 416 1HB CYS 60 2HB CYS 60 9.738 -9.502 -29.140 417 2HB CYS 60 3HB CYS 60 9.674 -10.562 -30.535 418 HG CYS 60 HG CYS 60 7.942 -8.186 -29.964 419 H PHE 61 HN PHE 61 7.506 -13.584 -28.200 420 HA PHE 61 HA PHE 61 8.597 -14.959 -30.552 421 1HB PHE 61 2HB PHE 61 8.162 -16.978 -28.762 422 2HB PHE 61 3HB PHE 61 9.690 -16.123 -28.822 423 HD1 PHE 61 HD1 PHE 61 10.473 -14.961 -26.947 424 HD2 PHE 61 HD2 PHE 61 6.398 -16.135 -27.102 425 HE1 PHE 61 HE1 PHE 61 10.185 -14.276 -24.550 426 HE2 PHE 61 HE2 PHE 61 6.110 -15.450 -24.704 427 HZ PHE 61 HZ PHE 61 8.006 -14.529 -23.457 428 H VAL 62 HN VAL 62 7.161 -17.364 -30.277 429 HA VAL 62 HA VAL 62 4.392 -16.394 -30.471 430 HB VAL 62 HB VAL 62 5.550 -16.989 -32.622 431 1HG1 VAL 62 1HG1 VAL 62 5.557 -19.557 -33.030 432 2HG1 VAL 62 2HG1 VAL 62 6.925 -18.816 -32.166 433 3HG1 VAL 62 3HG1 VAL 62 5.658 -19.674 -31.257 434 1HG2 VAL 62 1HG2 VAL 62 3.304 -18.933 -32.278 435 2HG2 VAL 62 2HG2 VAL 62 2.981 -17.213 -31.953 436 3HG2 VAL 62 3HG2 VAL 62 3.585 -17.719 -33.549 437 H LYS 63 HN LYS 63 2.741 -18.167 -30.052 438 HA LYS 63 HA LYS 63 3.794 -19.989 -28.001 439 1HB LYS 63 2HB LYS 63 2.586 -18.615 -26.653 440 2HB LYS 63 3HB LYS 63 1.538 -18.063 -27.944 441 1HG LYS 63 2HG LYS 63 0.671 -20.601 -27.881 442 2HG LYS 63 3HG LYS 63 1.315 -20.555 -26.252 443 1HD LYS 63 2HD LYS 63 -0.451 -18.277 -27.162 444 2HD LYS 63 3HD LYS 63 -1.206 -19.809 -26.767 445 1HE LYS 63 2HE LYS 63 0.807 -18.662 -24.825 446 2HE LYS 63 3HE LYS 63 -0.790 -17.943 -24.887 447 1HZ LYS 63 1HZ LYS 63 -0.531 -19.816 -23.316 448 2HZ LYS 63 2HZ LYS 63 -1.757 -20.009 -24.378 449 3HZ LYS 63 3HZ LYS 63 -0.361 -20.830 -24.585 450 H VAL 64 HN VAL 64 2.902 -22.108 -27.928 451 HA VAL 64 HA VAL 64 1.239 -22.769 -30.257 452 HB VAL 64 HB VAL 64 3.537 -23.391 -30.705 453 1HG1 VAL 64 1HG1 VAL 64 4.496 -23.566 -28.524 454 2HG1 VAL 64 2HG1 VAL 64 3.367 -24.862 -28.059 455 3HG1 VAL 64 3HG1 VAL 64 4.626 -25.173 -29.279 456 1HG2 VAL 64 1HG2 VAL 64 2.750 -25.188 -31.763 457 2HG2 VAL 64 2HG2 VAL 64 2.729 -26.113 -30.242 458 3HG2 VAL 64 3HG2 VAL 64 1.310 -25.148 -30.717 459 H LEU 65 HN LEU 65 -0.291 -22.222 -28.273 460 HA LEU 65 HA LEU 65 -0.428 -24.129 -26.202 461 1HB LEU 65 2HB LEU 65 -2.349 -23.014 -25.523 462 2HB LEU 65 3HB LEU 65 -1.324 -21.776 -26.221 463 HG LEU 65 HG LEU 65 -2.761 -22.294 -28.400 464 1HD1 LEU 65 1HD1 LEU 65 -4.859 -22.806 -26.302 465 2HD1 LEU 65 2HD1 LEU 65 -4.941 -23.037 -28.065 466 3HD1 LEU 65 3HD1 LEU 65 -3.969 -24.144 -27.067 467 1HD2 LEU 65 1HD2 LEU 65 -4.497 -20.580 -27.276 468 2HD2 LEU 65 2HD2 LEU 65 -3.163 -20.457 -26.103 469 3HD2 LEU 65 3HD2 LEU 65 -2.870 -20.110 -27.824 470 H ARG 66 HN ARG 66 -1.826 -23.882 -29.488 471 HA ARG 66 HA ARG 66 -3.340 -26.278 -28.981 472 1HB ARG 66 2HB ARG 66 -3.779 -24.011 -30.575 473 2HB ARG 66 3HB ARG 66 -3.327 -25.227 -31.753 474 1HG ARG 66 2HG ARG 66 -5.044 -26.744 -30.350 475 2HG ARG 66 3HG ARG 66 -5.694 -25.186 -29.880 476 1HD ARG 66 2HD ARG 66 -5.776 -24.589 -32.384 477 2HD ARG 66 3HD ARG 66 -5.387 -26.264 -32.719 478 HE ARG 66 HE ARG 66 -7.550 -26.907 -32.024 479 1HH1 ARG 66 2HH2 ARG 66 -6.961 -23.536 -31.200 480 2HH1 ARG 66 1HH2 ARG 66 -8.613 -23.215 -30.789 481 1HH2 ARG 66 2HH1 ARG 66 -9.729 -26.484 -31.482 482 2HH2 ARG 66 1HH1 ARG 66 -10.198 -24.903 -30.951 483 H ASP 67 HN ASP 67 -2.069 -28.129 -29.077 484 HA ASP 67 HA ASP 67 -0.748 -28.617 -31.570 485 1HB ASP 67 2HB ASP 67 0.747 -27.705 -29.336 486 2HB ASP 67 3HB ASP 67 1.012 -29.436 -29.369 487 HA PRO 68 HA PRO 68 -2.453 -32.462 -30.219 488 1HB PRO 68 2HB PRO 68 -1.954 -33.923 -32.474 489 2HB PRO 68 3HB PRO 68 -3.359 -32.892 -32.291 490 1HG PRO 68 2HG PRO 68 -0.909 -32.423 -33.878 491 2HG PRO 68 3HG PRO 68 -2.469 -31.637 -34.010 492 1HD PRO 68 2HD PRO 68 -0.101 -30.560 -32.800 493 2HD PRO 68 3HD PRO 68 -1.691 -29.823 -32.830 494 H SER 69 HN SER 69 -0.459 -32.129 -28.695 495 HA SER 69 HA SER 69 0.669 -34.657 -28.547 496 1HB SER 69 2HB SER 69 1.994 -33.223 -30.470 497 2HB SER 69 3HB SER 69 2.916 -32.756 -29.055 498 HG SER 69 HG SER 69 2.569 -35.409 -28.849 499 H ARG 70 HN ARG 70 -0.516 -33.838 -26.510 500 HA ARG 70 HA ARG 70 1.482 -33.003 -24.683 501 1HB ARG 70 2HB ARG 70 -0.244 -31.145 -23.810 502 2HB ARG 70 3HB ARG 70 0.945 -30.760 -25.038 503 1HG ARG 70 2HG ARG 70 -0.805 -31.368 -26.802 504 2HG ARG 70 3HG ARG 70 -1.976 -31.514 -25.507 505 1HD ARG 70 2HD ARG 70 -0.434 -28.982 -25.394 506 2HD ARG 70 3HD ARG 70 -1.356 -29.158 -26.874 507 HE ARG 70 HE ARG 70 -2.443 -28.589 -24.289 508 1HH1 ARG 70 2HH2 ARG 70 -3.107 -30.587 -27.109 509 2HH1 ARG 70 1HH2 ARG 70 -4.818 -30.619 -26.842 510 1HH2 ARG 70 2HH1 ARG 70 -4.701 -28.631 -23.936 511 2HH2 ARG 70 1HH1 ARG 70 -5.731 -29.499 -25.025 512 HA PRO 71 HA PRO 71 -1.920 -35.690 -23.185 513 1HB PRO 71 2HB PRO 71 -0.473 -37.959 -22.708 514 2HB PRO 71 3HB PRO 71 -1.367 -37.686 -24.191 515 1HG PRO 71 2HG PRO 71 1.550 -37.544 -23.733 516 2HG PRO 71 3HG PRO 71 0.682 -37.697 -25.248 517 1HD PRO 71 2HD PRO 71 1.906 -35.322 -24.204 518 2HD PRO 71 3HD PRO 71 0.940 -35.450 -25.660 519 H TRP 72 HN TRP 72 -1.138 -33.661 -21.751 520 HA TRP 72 HA TRP 72 -0.167 -34.929 -19.280 521 1HB TRP 72 2HB TRP 72 0.916 -32.782 -20.684 522 2HB TRP 72 3HB TRP 72 0.029 -32.028 -19.374 523 HD1 TRP 72 HD1 TRP 72 2.811 -34.727 -19.823 524 HE1 TRP 72 HE1 TRP 72 4.402 -34.779 -17.719 525 HE3 TRP 72 HE3 TRP 72 0.179 -31.339 -17.093 526 HZ2 TRP 72 HZ2 TRP 72 4.382 -33.428 -15.205 527 HZ3 TRP 72 HZ3 TRP 72 1.033 -30.761 -14.823 528 HH2 TRP 72 HH2 TRP 72 3.059 -31.746 -13.872 529 H GLY 73 HN GLY 73 -2.398 -32.530 -20.811 530 1HA GLY 73 1HA GLY 73 -4.720 -33.092 -19.710 531 2HA GLY 73 2HA GLY 73 -3.941 -32.336 -18.335 532 H LYS 74 HN LYS 74 -2.727 -30.146 -18.939 533 HA LYS 74 HA LYS 74 -4.034 -28.708 -21.071 534 1HB LYS 74 2HB LYS 74 -4.721 -26.887 -19.380 535 2HB LYS 74 3HB LYS 74 -5.751 -28.292 -19.564 536 1HG LYS 74 2HG LYS 74 -4.426 -29.338 -17.594 537 2HG LYS 74 3HG LYS 74 -3.749 -27.742 -17.334 538 1HD LYS 74 2HD LYS 74 -6.712 -27.779 -17.638 539 2HD LYS 74 3HD LYS 74 -6.122 -28.646 -16.234 540 1HE LYS 74 2HE LYS 74 -5.318 -25.781 -16.928 541 2HE LYS 74 3HE LYS 74 -6.602 -26.191 -15.808 542 1HZ LYS 74 1HZ LYS 74 -4.061 -27.472 -15.348 543 2HZ LYS 74 2HZ LYS 74 -4.115 -25.864 -15.064 544 3HZ LYS 74 3HZ LYS 74 -5.133 -26.867 -14.274 545 H ASP 75 HN ASP 75 -1.354 -29.609 -20.675 546 HA ASP 75 HA ASP 75 -0.029 -27.153 -19.866 547 1HB ASP 75 2HB ASP 75 2.012 -28.509 -19.707 548 2HB ASP 75 3HB ASP 75 0.729 -29.265 -18.783 549 H ASN 76 HN ASN 76 1.320 -26.047 -21.402 550 HA ASN 76 HA ASN 76 1.635 -27.314 -23.981 551 1HB ASN 76 2HB ASN 76 0.819 -25.346 -25.195 552 2HB ASN 76 3HB ASN 76 -0.436 -25.854 -24.082 553 1HD2 ASN 76 1HD2 ASN 76 -1.239 -24.450 -22.699 554 2HD2 ASN 76 2HD2 ASN 76 -0.594 -22.889 -22.314 555 H TYR 77 HN TYR 77 2.874 -25.220 -25.363 556 HA TYR 77 HA TYR 77 4.769 -23.934 -23.586 557 1HB TYR 77 2HB TYR 77 6.582 -24.974 -25.223 558 2HB TYR 77 3HB TYR 77 5.951 -26.006 -23.956 559 HD1 TYR 77 HD1 TYR 77 6.268 -25.509 -27.525 560 HD2 TYR 77 HD2 TYR 77 4.142 -27.689 -24.520 561 HE1 TYR 77 HE1 TYR 77 5.539 -27.212 -29.266 562 HE2 TYR 77 HE2 TYR 77 3.420 -29.385 -26.271 563 HH TYR 77 HH TYR 77 3.673 -28.799 -29.557 564 H TRP 78 HN TRP 78 6.283 -22.471 -24.880 565 HA TRP 78 HA TRP 78 4.850 -21.518 -27.267 566 1HB TRP 78 2HB TRP 78 6.446 -19.866 -25.303 567 2HB TRP 78 3HB TRP 78 5.562 -19.279 -26.698 568 HD1 TRP 78 HD1 TRP 78 3.165 -21.638 -25.507 569 HE1 TRP 78 HE1 TRP 78 1.374 -20.694 -23.815 570 HE3 TRP 78 HE3 TRP 78 5.740 -17.417 -24.323 571 HZ2 TRP 78 HZ2 TRP 78 1.238 -18.340 -22.207 572 HZ3 TRP 78 HZ3 TRP 78 4.708 -15.848 -22.684 573 HH2 TRP 78 HH2 TRP 78 2.536 -16.254 -21.637 574 H MET 79 HN MET 79 6.347 -20.426 -28.878 575 HA MET 79 HA MET 79 8.948 -21.750 -28.785 576 1HB MET 79 2HB MET 79 7.482 -22.620 -30.591 577 2HB MET 79 3HB MET 79 7.144 -20.993 -31.148 578 1HG MET 79 2HG MET 79 9.834 -20.885 -31.343 579 2HG MET 79 3HG MET 79 9.661 -22.624 -31.467 580 1HE MET 79 1HE MET 79 10.347 -19.862 -33.500 581 2HE MET 79 2HE MET 79 9.051 -19.613 -34.694 582 3HE MET 79 3HE MET 79 8.794 -19.153 -32.994 583 H LEU 80 HN LEU 80 10.693 -20.407 -28.650 584 HA LEU 80 HA LEU 80 10.382 -17.713 -29.765 585 1HB LEU 80 2HB LEU 80 11.615 -16.809 -27.861 586 2HB LEU 80 3HB LEU 80 10.064 -17.486 -27.409 587 HG LEU 80 HG LEU 80 12.693 -18.949 -27.067 588 1HD1 LEU 80 1HD1 LEU 80 11.206 -17.120 -25.184 589 2HD1 LEU 80 2HD1 LEU 80 12.318 -18.382 -24.603 590 3HD1 LEU 80 3HD1 LEU 80 12.921 -17.084 -25.661 591 1HD2 LEU 80 1HD2 LEU 80 9.934 -19.738 -26.809 592 2HD2 LEU 80 2HD2 LEU 80 11.416 -20.711 -26.641 593 3HD2 LEU 80 3HD2 LEU 80 10.755 -19.844 -25.233 594 H ASN 81 HN ASN 81 12.105 -16.994 -30.979 595 HA ASN 81 HA ASN 81 14.594 -18.400 -30.732 596 1HB ASN 81 2HB ASN 81 13.627 -19.826 -32.409 597 2HB ASN 81 3HB ASN 81 12.832 -18.488 -33.215 598 1HD2 ASN 81 1HD2 ASN 81 16.160 -18.856 -32.024 599 2HD2 ASN 81 2HD2 ASN 81 16.967 -18.621 -33.538 600 HA PRO 82 HA PRO 82 15.303 -14.089 -31.644 601 1HB PRO 82 2HB PRO 82 17.805 -13.928 -30.558 602 2HB PRO 82 3HB PRO 82 16.340 -13.678 -29.630 603 1HG PRO 82 2HG PRO 82 18.143 -16.020 -29.650 604 2HG PRO 82 3HG PRO 82 16.944 -15.568 -28.454 605 1HD PRO 82 2HD PRO 82 16.694 -17.616 -30.447 606 2HD PRO 82 3HD PRO 82 15.454 -17.085 -29.328 Start of MODEL 10 1 H TYR 8 HN TYR 8 -4.372 4.185 0.677 2 HA TYR 8 HA TYR 8 -5.655 6.466 1.744 3 1HB TYR 8 2HB TYR 8 -4.443 3.862 2.856 4 2HB TYR 8 3HB TYR 8 -5.380 4.951 3.861 5 HD1 TYR 8 HD1 TYR 8 -7.469 5.707 1.733 6 HD2 TYR 8 HD2 TYR 8 -5.855 1.946 2.977 7 HE1 TYR 8 HE1 TYR 8 -9.605 4.540 0.999 8 HE2 TYR 8 HE2 TYR 8 -7.996 0.791 2.239 9 HH TYR 8 HH TYR 8 -10.466 2.530 0.475 10 H ILE 9 HN ILE 9 -2.306 5.352 1.632 11 HA ILE 9 HA ILE 9 -1.265 6.490 3.891 12 HB ILE 9 HB ILE 9 0.838 6.626 2.626 13 1HG1 ILE 9 2HG1 ILE 9 0.332 5.448 0.185 14 2HG1 ILE 9 3HG1 ILE 9 -1.004 6.572 0.333 15 1HG2 ILE 9 1HG2 ILE 9 -0.890 4.177 2.566 16 2HG2 ILE 9 2HG2 ILE 9 0.721 4.138 1.809 17 3HG2 ILE 9 3HG2 ILE 9 0.559 4.533 3.537 18 1HD1 ILE 9 1HD1 ILE 9 0.970 8.220 1.166 19 2HD1 ILE 9 2HD1 ILE 9 1.939 7.126 0.149 20 3HD1 ILE 9 3HD1 ILE 9 0.568 8.017 -0.557 21 H ALA 10 HN ALA 10 -2.580 8.027 0.998 22 HA ALA 10 HA ALA 10 -1.332 10.546 1.461 23 1HB ALA 10 1HB ALA 10 -2.283 11.091 -0.535 24 2HB ALA 10 2HB ALA 10 -2.574 9.339 -0.654 25 3HB ALA 10 3HB ALA 10 -3.867 10.418 -0.079 26 H LEU 11 HN LEU 11 -4.580 9.089 2.120 27 HA LEU 11 HA LEU 11 -5.769 11.347 3.172 28 1HB LEU 11 2HB LEU 11 -7.480 9.985 3.618 29 2HB LEU 11 3HB LEU 11 -6.570 8.863 2.625 30 HG LEU 11 HG LEU 11 -5.563 7.936 4.755 31 1HD1 LEU 11 1HD1 LEU 11 -7.397 8.464 6.693 32 2HD1 LEU 11 2HD1 LEU 11 -5.816 9.268 6.546 33 3HD1 LEU 11 3HD1 LEU 11 -7.276 10.050 5.894 34 1HD2 LEU 11 1HD2 LEU 11 -8.493 7.516 4.989 35 2HD2 LEU 11 2HD2 LEU 11 -7.760 7.201 3.398 36 3HD2 LEU 11 3HD2 LEU 11 -7.165 6.341 4.838 37 H ILE 12 HN ILE 12 -3.466 9.022 4.611 38 HA ILE 12 HA ILE 12 -3.802 10.030 7.251 39 HB ILE 12 HB ILE 12 -2.191 8.007 5.859 40 1HG1 ILE 12 2HG1 ILE 12 -2.600 6.994 8.273 41 2HG1 ILE 12 3HG1 ILE 12 -3.790 8.276 8.380 42 1HG2 ILE 12 1HG2 ILE 12 -0.275 9.089 6.636 43 2HG2 ILE 12 2HG2 ILE 12 -1.053 9.589 8.157 44 3HG2 ILE 12 3HG2 ILE 12 -0.625 7.881 7.895 45 1HD1 ILE 12 1HD1 ILE 12 -4.073 7.080 5.783 46 2HD1 ILE 12 2HD1 ILE 12 -3.994 5.767 6.983 47 3HD1 ILE 12 3HD1 ILE 12 -5.224 7.044 7.141 48 H THR 13 HN THR 13 -1.433 10.536 4.568 49 HA THR 13 HA THR 13 0.304 12.208 5.941 50 HB THR 13 HB THR 13 -0.536 11.977 3.010 51 HG1 THR 13 HG1 THR 13 0.593 10.229 4.322 52 1HG2 THR 13 1HG2 THR 13 0.679 13.905 2.679 53 2HG2 THR 13 2HG2 THR 13 1.305 13.891 4.345 54 3HG2 THR 13 3HG2 THR 13 2.092 12.903 3.091 55 H MET 14 HN MET 14 -2.728 13.001 4.154 56 HA MET 14 HA MET 14 -2.411 15.758 4.598 57 1HB MET 14 2HB MET 14 -4.780 15.845 3.766 58 2HB MET 14 3HB MET 14 -3.794 14.809 2.753 59 1HG MET 14 2HG MET 14 -4.655 12.794 3.894 60 2HG MET 14 3HG MET 14 -5.543 13.779 5.039 61 1HE MET 14 1HE MET 14 -8.692 13.522 3.901 62 2HE MET 14 2HE MET 14 -8.015 11.981 3.322 63 3HE MET 14 3HE MET 14 -7.397 12.718 4.820 64 H ALA 15 HN ALA 15 -3.954 13.074 6.376 65 HA ALA 15 HA ALA 15 -5.506 14.676 8.094 66 1HB ALA 15 1HB ALA 15 -6.249 12.533 8.238 67 2HB ALA 15 2HB ALA 15 -4.656 11.849 7.833 68 3HB ALA 15 3HB ALA 15 -5.002 12.374 9.498 69 H ILE 16 HN ILE 16 -2.391 12.892 8.710 70 HA ILE 16 HA ILE 16 -1.925 14.158 11.153 71 HB ILE 16 HB ILE 16 -0.896 12.086 10.667 72 1HG1 ILE 16 2HG1 ILE 16 1.628 12.801 10.826 73 2HG1 ILE 16 3HG1 ILE 16 0.973 14.421 10.964 74 1HG2 ILE 16 1HG2 ILE 16 -0.443 13.227 8.080 75 2HG2 ILE 16 2HG2 ILE 16 1.107 12.659 8.745 76 3HG2 ILE 16 3HG2 ILE 16 -0.269 11.538 8.614 77 1HD1 ILE 16 1HD1 ILE 16 -0.281 12.281 12.667 78 2HD1 ILE 16 2HD1 ILE 16 1.338 12.865 13.120 79 3HD1 ILE 16 3HD1 ILE 16 -0.024 14.006 13.021 80 H ARG 17 HN ARG 17 -1.374 15.132 7.794 81 HA ARG 17 HA ARG 17 0.598 16.972 8.173 82 1HB ARG 17 2HB ARG 17 -1.559 16.483 6.186 83 2HB ARG 17 3HB ARG 17 -1.039 18.155 6.244 84 1HG ARG 17 2HG ARG 17 1.154 16.117 6.254 85 2HG ARG 17 3HG ARG 17 0.227 16.224 4.772 86 1HD ARG 17 2HD ARG 17 1.162 18.230 4.208 87 2HD ARG 17 3HD ARG 17 0.900 18.896 5.807 88 HE ARG 17 HE ARG 17 3.029 16.966 5.924 89 1HH1 ARG 17 2HH2 ARG 17 2.341 20.208 4.741 90 2HH1 ARG 17 1HH2 ARG 17 3.986 20.736 4.855 91 1HH2 ARG 17 2HH1 ARG 17 5.200 17.663 6.074 92 2HH2 ARG 17 1HH1 ARG 17 5.624 19.279 5.618 93 H ASP 18 HN ASP 18 -2.685 16.967 9.327 94 HA ASP 18 HA ASP 18 -3.420 19.553 9.298 95 1HB ASP 18 2HB ASP 18 -4.606 17.483 10.302 96 2HB ASP 18 3HB ASP 18 -3.680 17.775 11.761 97 H SER 19 HN SER 19 -0.965 17.896 11.305 98 HA SER 19 HA SER 19 -0.654 20.168 13.017 99 1HB SER 19 2HB SER 19 0.974 18.820 14.196 100 2HB SER 19 3HB SER 19 -0.392 17.792 13.815 101 HG SER 19 HG SER 19 0.960 16.507 12.783 102 H ALA 20 HN ALA 20 2.405 19.457 13.056 103 HA ALA 20 HA ALA 20 3.423 20.178 10.531 104 1HB ALA 20 1HB ALA 20 2.959 22.396 10.619 105 2HB ALA 20 2HB ALA 20 2.606 22.349 12.363 106 3HB ALA 20 3HB ALA 20 4.290 22.466 11.799 107 H GLY 21 HN GLY 21 3.758 18.194 12.667 108 1HA GLY 21 1HA GLY 21 5.624 17.067 13.358 109 2HA GLY 21 2HA GLY 21 6.625 18.456 12.985 110 H GLY 22 HN GLY 22 3.664 18.235 15.067 111 1HA GLY 22 1HA GLY 22 5.342 18.810 17.418 112 2HA GLY 22 2HA GLY 22 4.006 19.872 17.018 113 H ARG 23 HN ARG 23 1.790 18.760 16.685 114 HA ARG 23 HA ARG 23 1.497 16.223 17.886 115 1HB ARG 23 2HB ARG 23 0.046 17.002 19.791 116 2HB ARG 23 3HB ARG 23 1.714 17.509 19.966 117 1HG ARG 23 2HG ARG 23 -0.196 19.366 18.543 118 2HG ARG 23 3HG ARG 23 -0.314 19.238 20.287 119 1HD ARG 23 2HD ARG 23 1.621 20.413 20.616 120 2HD ARG 23 3HD ARG 23 2.486 19.501 19.396 121 HE ARG 23 HE ARG 23 1.997 21.171 17.825 122 1HH1 ARG 23 2HH2 ARG 23 -0.120 21.544 20.611 123 2HH1 ARG 23 1HH2 ARG 23 -0.768 23.059 20.076 124 1HH2 ARG 23 2HH1 ARG 23 1.142 23.168 17.119 125 2HH2 ARG 23 1HH1 ARG 23 -0.046 23.988 18.076 126 H LEU 24 HN LEU 24 -0.803 15.473 17.753 127 HA LEU 24 HA LEU 24 -2.745 17.215 16.609 128 1HB LEU 24 2HB LEU 24 -2.184 16.989 14.485 129 2HB LEU 24 3HB LEU 24 -0.988 15.759 14.844 130 HG LEU 24 HG LEU 24 -3.887 14.990 14.795 131 1HD1 LEU 24 1HD1 LEU 24 -3.883 16.112 12.756 132 2HD1 LEU 24 2HD1 LEU 24 -2.196 15.668 12.398 133 3HD1 LEU 24 3HD1 LEU 24 -3.478 14.437 12.307 134 1HD2 LEU 24 1HD2 LEU 24 -3.134 12.871 14.674 135 2HD2 LEU 24 2HD2 LEU 24 -1.784 13.293 13.592 136 3HD2 LEU 24 3HD2 LEU 24 -1.644 13.579 15.344 137 H THR 25 HN THR 25 -4.859 16.149 16.450 138 HA THR 25 HA THR 25 -4.943 13.807 18.221 139 HB THR 25 HB THR 25 -7.033 14.665 18.962 140 HG1 THR 25 HG1 THR 25 -6.902 16.300 16.527 141 1HG2 THR 25 1HG2 THR 25 -5.517 17.148 17.997 142 2HG2 THR 25 2HG2 THR 25 -6.826 17.142 19.203 143 3HG2 THR 25 3HG2 THR 25 -5.276 16.346 19.567 144 H LEU 26 HN LEU 26 -4.672 12.039 16.924 145 HA LEU 26 HA LEU 26 -5.528 11.761 14.345 146 1HB LEU 26 2HB LEU 26 -4.467 10.129 16.419 147 2HB LEU 26 3HB LEU 26 -5.811 9.265 15.700 148 HG LEU 26 HG LEU 26 -3.813 8.600 14.580 149 1HD1 LEU 26 1HD1 LEU 26 -5.988 9.845 13.227 150 2HD1 LEU 26 2HD1 LEU 26 -4.499 10.193 12.317 151 3HD1 LEU 26 3HD1 LEU 26 -4.948 8.509 12.679 152 1HD2 LEU 26 1HD2 LEU 26 -3.123 11.265 13.481 153 2HD2 LEU 26 2HD2 LEU 26 -2.767 11.003 15.205 154 3HD2 LEU 26 3HD2 LEU 26 -2.078 9.913 13.978 155 H ALA 27 HN ALA 27 -7.379 11.559 17.381 156 HA ALA 27 HA ALA 27 -9.627 10.251 16.448 157 1HB ALA 27 1HB ALA 27 -10.766 11.575 18.302 158 2HB ALA 27 2HB ALA 27 -9.321 10.658 18.791 159 3HB ALA 27 3HB ALA 27 -9.216 12.417 18.540 160 H GLU 28 HN GLU 28 -8.834 13.793 16.455 161 HA GLU 28 HA GLU 28 -11.222 14.520 15.225 162 1HB GLU 28 2HB GLU 28 -9.474 15.964 16.507 163 2HB GLU 28 3HB GLU 28 -8.619 16.067 14.981 164 1HG GLU 28 2HG GLU 28 -10.708 16.969 13.898 165 2HG GLU 28 3HG GLU 28 -11.517 16.915 15.452 166 H ILE 29 HN ILE 29 -8.081 13.378 13.996 167 HA ILE 29 HA ILE 29 -8.482 14.207 11.327 168 HB ILE 29 HB ILE 29 -6.541 12.708 12.885 169 1HG1 ILE 29 2HG1 ILE 29 -5.000 13.754 11.216 170 2HG1 ILE 29 3HG1 ILE 29 -6.394 14.389 10.366 171 1HG2 ILE 29 1HG2 ILE 29 -5.634 11.345 11.097 172 2HG2 ILE 29 2HG2 ILE 29 -7.307 10.853 11.452 173 3HG2 ILE 29 3HG2 ILE 29 -6.955 11.838 10.011 174 1HD1 ILE 29 1HD1 ILE 29 -5.501 15.036 13.205 175 2HD1 ILE 29 2HD1 ILE 29 -5.644 16.148 11.822 176 3HD1 ILE 29 3HD1 ILE 29 -7.109 15.480 12.582 177 H ASN 30 HN ASN 30 -9.419 11.346 13.251 178 HA ASN 30 HA ASN 30 -10.147 9.804 11.034 179 1HB ASN 30 2HB ASN 30 -9.774 8.672 13.139 180 2HB ASN 30 3HB ASN 30 -10.868 9.739 13.998 181 1HD2 ASN 30 1HD2 ASN 30 -12.067 8.036 14.791 182 2HD2 ASN 30 2HD2 ASN 30 -13.175 7.117 13.827 183 H GLU 31 HN GLU 31 -11.807 12.135 13.225 184 HA GLU 31 HA GLU 31 -14.383 11.596 12.254 185 1HB GLU 31 2HB GLU 31 -14.081 12.599 14.448 186 2HB GLU 31 3HB GLU 31 -13.206 13.959 13.773 187 1HG GLU 31 2HG GLU 31 -15.170 14.858 12.730 188 2HG GLU 31 3HG GLU 31 -16.054 13.354 12.895 189 H TYR 32 HN TYR 32 -11.695 13.657 11.209 190 HA TYR 32 HA TYR 32 -13.332 15.261 9.476 191 1HB TYR 32 2HB TYR 32 -11.381 16.460 9.912 192 2HB TYR 32 3HB TYR 32 -10.591 15.027 10.541 193 HD1 TYR 32 HD1 TYR 32 -8.797 14.081 9.374 194 HD2 TYR 32 HD2 TYR 32 -11.499 16.670 7.300 195 HE1 TYR 32 HE1 TYR 32 -7.296 14.017 7.323 196 HE2 TYR 32 HE2 TYR 32 -9.989 16.597 5.256 197 HH TYR 32 HH TYR 32 -7.118 16.014 5.159 198 H LEU 33 HN LEU 33 -10.755 12.734 9.015 199 HA LEU 33 HA LEU 33 -10.919 12.616 6.268 200 1HB LEU 33 2HB LEU 33 -9.128 11.469 6.942 201 2HB LEU 33 3HB LEU 33 -9.867 10.976 8.453 202 HG LEU 33 HG LEU 33 -9.268 9.071 7.016 203 1HD1 LEU 33 1HD1 LEU 33 -11.007 7.839 7.737 204 2HD1 LEU 33 2HD1 LEU 33 -11.499 9.357 8.526 205 3HD1 LEU 33 3HD1 LEU 33 -12.218 8.892 6.966 206 1HD2 LEU 33 1HD2 LEU 33 -11.181 8.901 5.056 207 2HD2 LEU 33 2HD2 LEU 33 -10.741 10.625 5.009 208 3HD2 LEU 33 3HD2 LEU 33 -9.485 9.380 4.812 209 H MET 34 HN MET 34 -12.838 10.879 8.785 210 HA MET 34 HA MET 34 -14.252 9.357 6.905 211 1HB MET 34 2HB MET 34 -14.019 8.781 9.337 212 2HB MET 34 3HB MET 34 -14.934 10.210 9.775 213 1HG MET 34 2HG MET 34 -16.963 9.340 8.782 214 2HG MET 34 3HG MET 34 -16.098 8.067 7.945 215 1HE MET 34 1HE MET 34 -17.847 9.391 10.617 216 2HE MET 34 2HE MET 34 -18.559 7.832 11.098 217 3HE MET 34 3HE MET 34 -17.362 8.627 12.149 218 H GLY 35 HN GLY 35 -14.896 12.483 8.591 219 1HA GLY 35 1HA GLY 35 -17.538 12.851 7.771 220 2HA GLY 35 2HA GLY 35 -16.396 14.108 8.201 221 H LYS 36 HN LYS 36 -14.447 13.187 6.034 222 HA LYS 36 HA LYS 36 -15.718 14.685 3.905 223 1HB LYS 36 2HB LYS 36 -13.145 14.607 4.958 224 2HB LYS 36 3HB LYS 36 -12.987 13.743 3.443 225 1HG LYS 36 2HG LYS 36 -13.686 15.594 2.150 226 2HG LYS 36 3HG LYS 36 -14.545 16.336 3.484 227 1HD LYS 36 2HD LYS 36 -11.882 16.208 4.396 228 2HD LYS 36 3HD LYS 36 -11.720 16.616 2.700 229 1HE LYS 36 2HE LYS 36 -11.912 18.699 3.934 230 2HE LYS 36 3HE LYS 36 -13.399 18.484 3.033 231 1HZ LYS 36 1HZ LYS 36 -13.174 17.528 5.786 232 2HZ LYS 36 2HZ LYS 36 -13.558 19.083 5.467 233 3HZ LYS 36 3HZ LYS 36 -14.525 17.878 4.938 234 H PHE 37 HN PHE 37 -13.952 11.532 4.302 235 HA PHE 37 HA PHE 37 -14.716 10.630 1.740 236 1HB PHE 37 2HB PHE 37 -13.610 9.457 4.338 237 2HB PHE 37 3HB PHE 37 -14.023 8.376 3.022 238 HD1 PHE 37 HD1 PHE 37 -12.317 7.776 1.602 239 HD2 PHE 37 HD2 PHE 37 -12.117 11.555 3.522 240 HE1 PHE 37 HE1 PHE 37 -10.071 8.187 0.559 241 HE2 PHE 37 HE2 PHE 37 -9.871 11.966 2.480 242 HZ PHE 37 HZ PHE 37 -8.875 10.277 1.010 243 HA PRO 38 HA PRO 38 -18.767 9.442 2.963 244 1HB PRO 38 2HB PRO 38 -19.729 8.938 0.455 245 2HB PRO 38 3HB PRO 38 -19.749 10.530 1.188 246 1HG PRO 38 2HG PRO 38 -17.967 9.486 -0.927 247 2HG PRO 38 3HG PRO 38 -18.291 11.151 -0.488 248 1HD PRO 38 2HD PRO 38 -15.949 9.628 0.163 249 2HD PRO 38 3HD PRO 38 -16.325 11.253 0.700 250 H PHE 39 HN PHE 39 -16.758 7.608 0.764 251 HA PHE 39 HA PHE 39 -18.187 5.224 0.999 252 1HB PHE 39 2HB PHE 39 -15.296 6.053 0.419 253 2HB PHE 39 3HB PHE 39 -15.736 4.357 0.411 254 HD1 PHE 39 HD1 PHE 39 -15.850 7.474 -1.406 255 HD2 PHE 39 HD2 PHE 39 -17.400 3.527 -1.257 256 HE1 PHE 39 HE1 PHE 39 -16.608 7.681 -3.790 257 HE2 PHE 39 HE2 PHE 39 -18.157 3.733 -3.641 258 HZ PHE 39 HZ PHE 39 -17.752 5.808 -4.879 259 H PHE 40 HN PHE 40 -15.786 6.808 3.095 260 HA PHE 40 HA PHE 40 -15.241 4.444 4.597 261 1HB PHE 40 2HB PHE 40 -14.679 7.427 4.654 262 2HB PHE 40 3HB PHE 40 -14.451 6.557 6.158 263 HD1 PHE 40 HD1 PHE 40 -13.595 6.044 2.551 264 HD2 PHE 40 HD2 PHE 40 -12.296 5.895 6.588 265 HE1 PHE 40 HE1 PHE 40 -11.313 5.327 1.790 266 HE2 PHE 40 HE2 PHE 40 -10.014 5.178 5.827 267 HZ PHE 40 HZ PHE 40 -9.549 4.903 3.437 268 H ARG 41 HN ARG 41 -17.757 6.872 4.547 269 HA ARG 41 HA ARG 41 -18.428 6.374 7.295 270 1HB ARG 41 2HB ARG 41 -18.620 8.652 5.974 271 2HB ARG 41 3HB ARG 41 -20.106 7.983 5.332 272 1HG ARG 41 2HG ARG 41 -20.957 7.632 7.658 273 2HG ARG 41 3HG ARG 41 -19.467 8.291 8.305 274 1HD ARG 41 2HD ARG 41 -19.962 10.488 7.593 275 2HD ARG 41 3HD ARG 41 -21.031 9.948 6.314 276 HE ARG 41 HE ARG 41 -21.759 10.425 9.093 277 1HH1 ARG 41 2HH2 ARG 41 -22.577 8.543 6.235 278 2HH1 ARG 41 1HH2 ARG 41 -24.224 8.296 6.712 279 1HH2 ARG 41 2HH1 ARG 41 -23.931 10.100 9.723 280 2HH2 ARG 41 1HH1 ARG 41 -24.999 9.188 8.710 281 H GLY 42 HN GLY 42 -18.527 4.156 5.305 282 1HA GLY 42 1HA GLY 42 -21.436 3.609 5.348 283 2HA GLY 42 2HA GLY 42 -20.365 3.101 4.057 284 H SER 43 HN SER 43 -18.263 1.861 4.968 285 HA SER 43 HA SER 43 -19.137 0.139 7.140 286 1HB SER 43 2HB SER 43 -17.721 -1.031 4.734 287 2HB SER 43 3HB SER 43 -18.669 -1.859 5.953 288 HG SER 43 HG SER 43 -20.587 -1.056 5.057 289 H TYR 44 HN TYR 44 -16.369 0.558 4.801 290 HA TYR 44 HA TYR 44 -14.306 -0.291 6.253 291 1HB TYR 44 2HB TYR 44 -14.590 1.027 3.948 292 2HB TYR 44 3HB TYR 44 -14.336 2.469 4.911 293 HD1 TYR 44 HD1 TYR 44 -12.657 -0.863 5.209 294 HD2 TYR 44 HD2 TYR 44 -12.250 3.278 4.211 295 HE1 TYR 44 HE1 TYR 44 -10.140 -1.155 4.992 296 HE2 TYR 44 HE2 TYR 44 -9.736 2.972 3.998 297 HH TYR 44 HH TYR 44 -8.033 1.578 4.645 298 H THR 45 HN THR 45 -14.340 -0.094 8.504 299 HA THR 45 HA THR 45 -13.825 2.627 9.470 300 HB THR 45 HB THR 45 -15.909 0.623 10.448 301 HG1 THR 45 HG1 THR 45 -17.082 2.234 9.491 302 1HG2 THR 45 1HG2 THR 45 -15.585 1.341 12.593 303 2HG2 THR 45 2HG2 THR 45 -14.249 2.394 12.070 304 3HG2 THR 45 3HG2 THR 45 -15.923 2.998 12.037 305 H GLY 46 HN GLY 46 -13.660 -0.926 10.019 306 1HA GLY 46 1HA GLY 46 -11.802 -0.695 12.179 307 2HA GLY 46 2HA GLY 46 -12.254 -2.145 11.305 308 H TRP 47 HN TRP 47 -10.612 0.997 10.460 309 HA TRP 47 HA TRP 47 -8.444 -0.624 9.313 310 1HB TRP 47 2HB TRP 47 -8.219 1.331 7.673 311 2HB TRP 47 3HB TRP 47 -9.470 0.135 7.399 312 HD1 TRP 47 HD1 TRP 47 -11.851 1.138 6.984 313 HE1 TRP 47 HE1 TRP 47 -13.111 3.432 7.324 314 HE3 TRP 47 HE3 TRP 47 -8.076 3.442 9.494 315 HZ2 TRP 47 HZ2 TRP 47 -12.404 5.897 8.575 316 HZ3 TRP 47 HZ3 TRP 47 -8.442 5.792 10.240 317 HH2 TRP 47 HH2 TRP 47 -10.516 7.016 9.818 318 H ARG 48 HN ARG 48 -9.363 1.212 11.859 319 HA ARG 48 HA ARG 48 -7.580 3.302 11.919 320 1HB ARG 48 2HB ARG 48 -9.489 2.993 13.510 321 2HB ARG 48 3HB ARG 48 -8.665 1.632 14.245 322 1HG ARG 48 2HG ARG 48 -6.682 3.441 14.514 323 2HG ARG 48 3HG ARG 48 -8.018 4.571 14.429 324 1HD ARG 48 2HD ARG 48 -8.535 2.264 16.229 325 2HD ARG 48 3HD ARG 48 -7.179 3.252 16.733 326 HE ARG 48 HE ARG 48 -9.534 4.828 15.985 327 1HH1 ARG 48 2HH2 ARG 48 -7.935 3.098 18.599 328 2HH1 ARG 48 1HH2 ARG 48 -8.741 3.984 19.850 329 1HH2 ARG 48 2HH1 ARG 48 -10.598 5.997 17.635 330 2HH2 ARG 48 1HH1 ARG 48 -10.266 5.644 19.298 331 H ASN 49 HN ASN 49 -7.182 -0.176 12.500 332 HA ASN 49 HA ASN 49 -4.788 0.041 13.947 333 1HB ASN 49 2HB ASN 49 -6.223 -2.177 12.446 334 2HB ASN 49 3HB ASN 49 -4.587 -2.456 13.009 335 1HD2 ASN 49 1HD2 ASN 49 -4.235 -1.567 15.342 336 2HD2 ASN 49 2HD2 ASN 49 -5.401 -2.072 16.519 337 H SER 50 HN SER 50 -5.667 -0.698 10.494 338 HA SER 50 HA SER 50 -3.004 -0.944 9.662 339 1HB SER 50 2HB SER 50 -5.183 -1.811 8.541 340 2HB SER 50 3HB SER 50 -5.349 -0.198 7.877 341 HG SER 50 HG SER 50 -3.111 -1.997 7.489 342 H VAL 51 HN VAL 51 -5.376 1.745 9.823 343 HA VAL 51 HA VAL 51 -3.831 3.553 8.292 344 HB VAL 51 HB VAL 51 -6.205 3.681 10.106 345 1HG1 VAL 51 1HG1 VAL 51 -6.315 6.167 9.651 346 2HG1 VAL 51 2HG1 VAL 51 -5.063 5.657 10.809 347 3HG1 VAL 51 3HG1 VAL 51 -4.613 6.073 9.138 348 1HG2 VAL 51 1HG2 VAL 51 -6.790 3.094 7.918 349 2HG2 VAL 51 2HG2 VAL 51 -7.090 4.848 7.969 350 3HG2 VAL 51 3HG2 VAL 51 -5.615 4.219 7.195 351 H ARG 52 HN ARG 52 -4.491 3.386 11.869 352 HA ARG 52 HA ARG 52 -2.710 5.296 12.580 353 1HB ARG 52 2HB ARG 52 -2.878 4.411 14.818 354 2HB ARG 52 3HB ARG 52 -4.410 4.051 14.048 355 1HG ARG 52 2HG ARG 52 -3.987 1.938 14.867 356 2HG ARG 52 3HG ARG 52 -3.090 1.783 13.369 357 1HD ARG 52 2HD ARG 52 -1.132 2.891 14.893 358 2HD ARG 52 3HD ARG 52 -2.060 2.137 16.174 359 HE ARG 52 HE ARG 52 -1.707 0.256 14.027 360 1HH1 ARG 52 2HH2 ARG 52 0.092 1.824 16.613 361 2HH1 ARG 52 1HH2 ARG 52 1.239 0.535 16.769 362 1HH2 ARG 52 2HH1 ARG 52 -0.194 -1.444 14.232 363 2HH2 ARG 52 1HH1 ARG 52 1.075 -1.336 15.406 364 H HIS 53 HN HIS 53 -2.164 1.898 11.666 365 HA HIS 53 HA HIS 53 0.453 1.735 12.716 366 1HB HIS 53 2HB HIS 53 -0.630 -0.308 12.417 367 2HB HIS 53 3HB HIS 53 -1.209 0.106 10.815 368 HD1 HIS 53 HD1 HIS 53 1.195 -1.998 12.374 369 HD2 HIS 53 HD2 HIS 53 1.247 0.447 8.965 370 HE1 HIS 53 HE1 HIS 53 3.116 -2.839 10.920 371 H ASN 54 HN ASN 54 -0.927 2.416 9.438 372 HA ASN 54 HA ASN 54 1.622 2.745 8.299 373 1HB ASN 54 2HB ASN 54 -0.515 2.167 7.037 374 2HB ASN 54 3HB ASN 54 -1.082 3.801 7.319 375 1HD2 ASN 54 1HD2 ASN 54 0.898 1.737 5.456 376 2HD2 ASN 54 2HD2 ASN 54 1.575 2.902 4.366 377 H LEU 55 HN LEU 55 -0.252 4.602 10.466 378 HA LEU 55 HA LEU 55 0.447 7.187 9.408 379 1HB LEU 55 2HB LEU 55 -1.541 6.176 11.062 380 2HB LEU 55 3HB LEU 55 -0.519 7.091 12.153 381 HG LEU 55 HG LEU 55 -1.718 8.199 9.599 382 1HD1 LEU 55 1HD1 LEU 55 -2.652 8.956 12.350 383 2HD1 LEU 55 2HD1 LEU 55 -3.486 9.093 10.784 384 3HD1 LEU 55 3HD1 LEU 55 -3.296 7.500 11.554 385 1HD2 LEU 55 1HD2 LEU 55 -0.765 9.953 11.804 386 2HD2 LEU 55 2HD2 LEU 55 0.471 9.145 10.811 387 3HD2 LEU 55 3HD2 LEU 55 -0.740 10.197 10.041 388 H SER 56 HN SER 56 1.276 5.202 12.334 389 HA SER 56 HA SER 56 3.366 7.029 12.973 390 1HB SER 56 2HB SER 56 2.934 6.155 15.008 391 2HB SER 56 3HB SER 56 1.907 4.925 14.300 392 HG SER 56 HG SER 56 3.453 3.463 14.557 393 H LEU 57 HN LEU 57 2.958 4.384 10.829 394 HA LEU 57 HA LEU 57 5.642 3.377 11.061 395 1HB LEU 57 2HB LEU 57 3.938 1.820 10.533 396 2HB LEU 57 3HB LEU 57 3.319 2.813 9.229 397 HG LEU 57 HG LEU 57 5.884 2.387 8.379 398 1HD1 LEU 57 1HD1 LEU 57 5.294 0.330 10.365 399 2HD1 LEU 57 2HD1 LEU 57 5.691 -0.345 8.767 400 3HD1 LEU 57 3HD1 LEU 57 6.829 0.761 9.575 401 1HD2 LEU 57 1HD2 LEU 57 4.365 0.225 7.371 402 2HD2 LEU 57 2HD2 LEU 57 3.228 1.561 7.674 403 3HD2 LEU 57 3HD2 LEU 57 4.647 1.819 6.631 404 H ASN 58 HN ASN 58 3.849 5.813 9.216 405 HA ASN 58 HA ASN 58 5.999 6.063 7.334 406 1HB ASN 58 2HB ASN 58 3.201 6.845 7.485 407 2HB ASN 58 3HB ASN 58 4.159 8.279 7.171 408 1HD2 ASN 58 1HD2 ASN 58 2.291 6.657 5.513 409 2HD2 ASN 58 2HD2 ASN 58 3.146 6.266 4.058 410 H ASP 59 HN ASP 59 4.125 8.592 9.160 411 HA ASP 59 HA ASP 59 5.965 10.508 9.197 412 1HB ASP 59 2HB ASP 59 3.537 10.099 10.419 413 2HB ASP 59 3HB ASP 59 4.588 10.092 11.821 414 H CYS 60 HN CYS 60 5.652 7.704 11.464 415 HA CYS 60 HA CYS 60 7.096 6.720 12.795 416 1HB CYS 60 2HB CYS 60 8.973 8.254 11.064 417 2HB CYS 60 3HB CYS 60 9.616 7.674 12.588 418 HG CYS 60 HG CYS 60 10.277 5.854 10.972 419 H PHE 61 HN PHE 61 5.501 8.453 14.029 420 HA PHE 61 HA PHE 61 7.288 10.099 15.680 421 1HB PHE 61 2HB PHE 61 5.013 11.353 16.063 422 2HB PHE 61 3HB PHE 61 5.763 11.554 14.492 423 HD1 PHE 61 HD1 PHE 61 3.928 8.546 15.635 424 HD2 PHE 61 HD2 PHE 61 3.854 12.013 13.189 425 HE1 PHE 61 HE1 PHE 61 1.832 7.720 14.528 426 HE2 PHE 61 HE2 PHE 61 1.758 11.187 12.081 427 HZ PHE 61 HZ PHE 61 0.773 9.050 12.764 428 H VAL 62 HN VAL 62 5.423 10.705 17.721 429 HA VAL 62 HA VAL 62 4.902 8.026 18.815 430 HB VAL 62 HB VAL 62 5.811 10.519 20.267 431 1HG1 VAL 62 1HG1 VAL 62 6.193 8.726 22.116 432 2HG1 VAL 62 2HG1 VAL 62 4.548 9.348 21.839 433 3HG1 VAL 62 3HG1 VAL 62 5.021 7.760 21.188 434 1HG2 VAL 62 1HG2 VAL 62 7.660 9.692 18.996 435 2HG2 VAL 62 2HG2 VAL 62 7.897 9.158 20.677 436 3HG2 VAL 62 3HG2 VAL 62 7.305 8.009 19.453 437 H LYS 63 HN LYS 63 3.098 7.957 20.417 438 HA LYS 63 HA LYS 63 1.184 10.134 19.984 439 1HB LYS 63 2HB LYS 63 -0.595 8.621 19.550 440 2HB LYS 63 3HB LYS 63 0.714 8.191 18.467 441 1HG LYS 63 2HG LYS 63 1.096 6.164 19.501 442 2HG LYS 63 3HG LYS 63 0.773 6.795 21.103 443 1HD LYS 63 2HD LYS 63 -1.178 5.609 20.939 444 2HD LYS 63 3HD LYS 63 -1.737 6.981 20.002 445 1HE LYS 63 2HE LYS 63 -0.939 5.838 17.900 446 2HE LYS 63 3HE LYS 63 -0.453 4.453 18.857 447 1HZ LYS 63 1HZ LYS 63 -2.592 3.879 19.234 448 2HZ LYS 63 2HZ LYS 63 -3.173 5.404 19.161 449 3HZ LYS 63 3HZ LYS 63 -2.801 4.605 17.786 450 H VAL 64 HN VAL 64 -0.755 9.760 21.647 451 HA VAL 64 HA VAL 64 0.501 9.010 24.197 452 HB VAL 64 HB VAL 64 -0.254 10.897 25.195 453 1HG1 VAL 64 1HG1 VAL 64 0.555 12.655 23.994 454 2HG1 VAL 64 2HG1 VAL 64 1.074 11.351 22.899 455 3HG1 VAL 64 3HG1 VAL 64 -0.415 12.264 22.554 456 1HG2 VAL 64 1HG2 VAL 64 -2.523 10.858 23.198 457 2HG2 VAL 64 2HG2 VAL 64 -2.587 10.685 24.969 458 3HG2 VAL 64 3HG2 VAL 64 -2.210 12.266 24.242 459 H LEU 65 HN LEU 65 -0.527 7.426 25.316 460 HA LEU 65 HA LEU 65 -3.005 6.435 24.209 461 1HB LEU 65 2HB LEU 65 -0.819 5.195 25.144 462 2HB LEU 65 3HB LEU 65 -1.760 5.234 26.622 463 HG LEU 65 HG LEU 65 -3.647 4.133 25.368 464 1HD1 LEU 65 1HD1 LEU 65 -3.553 3.579 23.196 465 2HD1 LEU 65 2HD1 LEU 65 -2.292 4.833 23.111 466 3HD1 LEU 65 3HD1 LEU 65 -1.835 3.120 23.276 467 1HD2 LEU 65 1HD2 LEU 65 -2.904 2.257 26.289 468 2HD2 LEU 65 2HD2 LEU 65 -1.645 2.085 25.042 469 3HD2 LEU 65 3HD2 LEU 65 -1.320 3.039 26.510 470 H ARG 66 HN ARG 66 -4.741 7.709 24.730 471 HA ARG 66 HA ARG 66 -6.102 8.924 25.925 472 1HB ARG 66 2HB ARG 66 -6.754 6.601 26.579 473 2HB ARG 66 3HB ARG 66 -5.643 6.659 27.933 474 1HG ARG 66 2HG ARG 66 -6.940 8.287 29.096 475 2HG ARG 66 3HG ARG 66 -7.797 8.777 27.649 476 1HD ARG 66 2HD ARG 66 -9.387 7.160 27.917 477 2HD ARG 66 3HD ARG 66 -8.188 5.913 28.197 478 HE ARG 66 HE ARG 66 -8.513 7.752 30.461 479 1HH1 ARG 66 2HH2 ARG 66 -9.659 4.786 28.953 480 2HH1 ARG 66 1HH2 ARG 66 -10.309 4.139 30.423 481 1HH2 ARG 66 2HH1 ARG 66 -9.370 6.899 32.400 482 2HH2 ARG 66 1HH1 ARG 66 -10.143 5.349 32.397 483 H ASP 67 HN ASP 67 -4.494 10.706 26.222 484 HA ASP 67 HA ASP 67 -2.974 10.737 28.608 485 1HB ASP 67 2HB ASP 67 -3.176 12.259 26.166 486 2HB ASP 67 3HB ASP 67 -3.342 13.384 27.499 487 HA PRO 68 HA PRO 68 -5.891 12.842 31.119 488 1HB PRO 68 2HB PRO 68 -4.364 14.515 32.648 489 2HB PRO 68 3HB PRO 68 -4.517 12.799 32.966 490 1HG PRO 68 2HG PRO 68 -2.243 14.269 31.780 491 2HG PRO 68 3HG PRO 68 -2.264 12.666 32.488 492 1HD PRO 68 2HD PRO 68 -2.208 13.306 29.693 493 2HD PRO 68 3HD PRO 68 -2.346 11.709 30.400 494 H SER 69 HN SER 69 -6.522 13.745 28.844 495 HA SER 69 HA SER 69 -6.617 16.614 29.317 496 1HB SER 69 2HB SER 69 -6.090 15.239 26.645 497 2HB SER 69 3HB SER 69 -6.432 16.949 26.820 498 HG SER 69 HG SER 69 -4.185 15.520 27.961 499 H ARG 70 HN ARG 70 -7.940 13.741 27.554 500 HA ARG 70 HA ARG 70 -10.556 14.962 27.887 501 1HB ARG 70 2HB ARG 70 -9.435 13.562 25.417 502 2HB ARG 70 3HB ARG 70 -11.157 13.777 25.655 503 1HG ARG 70 2HG ARG 70 -10.985 15.869 24.803 504 2HG ARG 70 3HG ARG 70 -10.002 16.326 26.180 505 1HD ARG 70 2HD ARG 70 -7.944 15.674 25.016 506 2HD ARG 70 3HD ARG 70 -8.855 14.970 23.694 507 HE ARG 70 HE ARG 70 -9.124 17.106 22.786 508 1HH1 ARG 70 2HH2 ARG 70 -8.293 17.416 26.191 509 2HH1 ARG 70 1HH2 ARG 70 -8.145 19.140 26.129 510 1HH2 ARG 70 2HH1 ARG 70 -8.929 19.381 22.704 511 2HH2 ARG 70 1HH1 ARG 70 -8.509 20.266 24.132 512 HA PRO 71 HA PRO 71 -10.347 10.691 29.515 513 1HB PRO 71 2HB PRO 71 -11.068 11.216 32.098 514 2HB PRO 71 3HB PRO 71 -9.400 11.087 31.576 515 1HG PRO 71 2HG PRO 71 -10.951 13.513 32.243 516 2HG PRO 71 3HG PRO 71 -9.213 13.316 32.138 517 1HD PRO 71 2HD PRO 71 -10.918 14.566 30.200 518 2HD PRO 71 3HD PRO 71 -9.199 14.264 30.044 519 H TRP 72 HN TRP 72 -12.206 11.340 27.794 520 HA TRP 72 HA TRP 72 -14.689 10.880 29.303 521 1HB TRP 72 2HB TRP 72 -14.289 13.048 27.889 522 2HB TRP 72 3HB TRP 72 -14.632 12.002 26.526 523 HD1 TRP 72 HD1 TRP 72 -17.173 11.818 25.935 524 HE1 TRP 72 HE1 TRP 72 -19.505 12.298 27.074 525 HE3 TRP 72 HE3 TRP 72 -15.289 12.994 30.509 526 HZ2 TRP 72 HZ2 TRP 72 -20.282 13.097 29.700 527 HZ3 TRP 72 HZ3 TRP 72 -16.903 13.614 32.306 528 HH2 TRP 72 HH2 TRP 72 -19.322 13.676 31.959 529 H GLY 73 HN GLY 73 -12.663 10.093 26.424 530 1HA GLY 73 1HA GLY 73 -12.366 7.843 25.761 531 2HA GLY 73 2HA GLY 73 -13.976 7.457 26.334 532 H LYS 74 HN LYS 74 -12.344 9.703 23.981 533 HA LYS 74 HA LYS 74 -13.507 8.734 21.724 534 1HB LYS 74 2HB LYS 74 -15.482 10.073 23.322 535 2HB LYS 74 3HB LYS 74 -15.206 11.012 21.868 536 1HG LYS 74 2HG LYS 74 -15.531 8.960 20.476 537 2HG LYS 74 3HG LYS 74 -15.796 8.014 21.927 538 1HD LYS 74 2HD LYS 74 -17.997 8.541 21.793 539 2HD LYS 74 3HD LYS 74 -17.575 10.195 22.188 540 1HE LYS 74 2HE LYS 74 -16.946 10.008 19.455 541 2HE LYS 74 3HE LYS 74 -18.403 9.044 19.599 542 1HZ LYS 74 1HZ LYS 74 -19.181 11.165 19.319 543 2HZ LYS 74 2HZ LYS 74 -19.244 11.024 20.945 544 3HZ LYS 74 3HZ LYS 74 -18.030 11.862 20.244 545 H ASP 75 HN ASP 75 -11.026 9.666 22.403 546 HA ASP 75 HA ASP 75 -10.579 11.516 20.403 547 1HB ASP 75 2HB ASP 75 -11.438 12.758 22.779 548 2HB ASP 75 3HB ASP 75 -9.693 12.901 22.853 549 H ASN 76 HN ASN 76 -8.251 11.682 20.038 550 HA ASN 76 HA ASN 76 -6.601 10.466 22.087 551 1HB ASN 76 2HB ASN 76 -7.379 9.031 19.835 552 2HB ASN 76 3HB ASN 76 -5.875 9.741 19.281 553 1HD2 ASN 76 1HD2 ASN 76 -6.289 7.008 19.648 554 2HD2 ASN 76 2HD2 ASN 76 -5.262 6.422 20.914 555 H TYR 77 HN TYR 77 -4.366 11.252 21.996 556 HA TYR 77 HA TYR 77 -3.986 13.472 20.099 557 1HB TYR 77 2HB TYR 77 -3.964 13.217 23.009 558 2HB TYR 77 3HB TYR 77 -2.321 13.555 22.500 559 HD1 TYR 77 HD1 TYR 77 -5.319 15.031 23.509 560 HD2 TYR 77 HD2 TYR 77 -2.160 15.541 20.669 561 HE1 TYR 77 HE1 TYR 77 -5.878 17.504 23.321 562 HE2 TYR 77 HE2 TYR 77 -2.731 18.012 20.490 563 HH TYR 77 HH TYR 77 -4.650 19.583 22.710 564 H TRP 78 HN TRP 78 -2.163 13.437 18.845 565 HA TRP 78 HA TRP 78 -0.197 11.350 19.504 566 1HB TRP 78 2HB TRP 78 -1.216 12.308 16.831 567 2HB TRP 78 3HB TRP 78 0.259 11.380 17.012 568 HD1 TRP 78 HD1 TRP 78 -2.885 10.530 19.098 569 HE1 TRP 78 HE1 TRP 78 -3.824 8.145 18.469 570 HE3 TRP 78 HE3 TRP 78 0.242 9.758 15.163 571 HZ2 TRP 78 HZ2 TRP 78 -3.169 6.246 16.442 572 HZ3 TRP 78 HZ3 TRP 78 0.026 7.612 13.913 573 HH2 TRP 78 HH2 TRP 78 -1.606 5.889 14.495 574 H MET 79 HN MET 79 2.005 11.968 19.436 575 HA MET 79 HA MET 79 2.399 14.830 19.013 576 1HB MET 79 2HB MET 79 4.259 14.583 20.739 577 2HB MET 79 3HB MET 79 2.663 14.268 21.392 578 1HG MET 79 2HG MET 79 3.188 12.104 21.886 579 2HG MET 79 3HG MET 79 3.828 11.815 20.280 580 1HE MET 79 1HE MET 79 6.532 12.249 19.644 581 2HE MET 79 2HE MET 79 5.847 13.882 19.819 582 3HE MET 79 3HE MET 79 7.391 13.476 20.606 583 H LEU 80 HN LEU 80 3.445 15.107 17.084 584 HA LEU 80 HA LEU 80 5.653 13.250 16.526 585 1HB LEU 80 2HB LEU 80 5.167 13.588 14.138 586 2HB LEU 80 3HB LEU 80 3.899 12.750 15.010 587 HG LEU 80 HG LEU 80 3.650 15.712 14.648 588 1HD1 LEU 80 1HD1 LEU 80 2.609 15.420 12.449 589 2HD1 LEU 80 2HD1 LEU 80 4.325 14.950 12.432 590 3HD1 LEU 80 3HD1 LEU 80 3.060 13.698 12.461 591 1HD2 LEU 80 1HD2 LEU 80 1.804 13.368 15.001 592 2HD2 LEU 80 2HD2 LEU 80 1.911 14.883 15.930 593 3HD2 LEU 80 3HD2 LEU 80 1.209 14.889 14.294 594 H ASN 81 HN ASN 81 7.499 14.195 15.383 595 HA ASN 81 HA ASN 81 7.617 16.947 14.942 596 1HB ASN 81 2HB ASN 81 7.758 17.293 17.319 597 2HB ASN 81 3HB ASN 81 8.764 15.878 17.554 598 1HD2 ASN 81 1HD2 ASN 81 10.923 15.888 16.617 599 2HD2 ASN 81 2HD2 ASN 81 11.822 17.366 16.536 600 HA PRO 82 HA PRO 82 11.075 15.244 12.840 601 1HB PRO 82 2HB PRO 82 12.296 17.519 11.945 602 2HB PRO 82 3HB PRO 82 10.912 16.797 11.148 603 1HG PRO 82 2HG PRO 82 11.020 19.215 12.844 604 2HG PRO 82 3HG PRO 82 9.775 18.722 11.713 605 1HD PRO 82 2HD PRO 82 9.668 18.534 14.574 606 2HD PRO 82 3HD PRO 82 8.475 17.936 13.438 Start of MODEL 11 1 H TYR 8 HN TYR 8 -3.367 -12.404 4.884 2 HA TYR 8 HA TYR 8 -1.365 -13.687 6.414 3 1HB TYR 8 2HB TYR 8 -3.764 -11.838 6.780 4 2HB TYR 8 3HB TYR 8 -3.025 -12.506 8.222 5 HD1 TYR 8 HD1 TYR 8 -2.188 -10.579 5.125 6 HD2 TYR 8 HD2 TYR 8 -1.167 -11.449 9.188 7 HE1 TYR 8 HE1 TYR 8 -0.435 -8.738 5.087 8 HE2 TYR 8 HE2 TYR 8 0.582 -9.605 9.135 9 HH TYR 8 HH TYR 8 1.540 -8.112 6.201 10 H ILE 9 HN ILE 9 -4.984 -13.944 6.319 11 HA ILE 9 HA ILE 9 -5.201 -15.796 8.373 12 HB ILE 9 HB ILE 9 -7.383 -16.349 7.257 13 1HG1 ILE 9 2HG1 ILE 9 -6.853 -14.083 5.359 14 2HG1 ILE 9 3HG1 ILE 9 -6.333 -15.701 4.932 15 1HG2 ILE 9 1HG2 ILE 9 -6.466 -13.781 8.335 16 2HG2 ILE 9 2HG2 ILE 9 -7.952 -13.663 7.361 17 3HG2 ILE 9 3HG2 ILE 9 -7.886 -14.768 8.755 18 1HD1 ILE 9 1HD1 ILE 9 -8.476 -15.833 4.094 19 2HD1 ILE 9 2HD1 ILE 9 -8.853 -16.283 5.774 20 3HD1 ILE 9 3HD1 ILE 9 -9.103 -14.609 5.223 21 H ALA 10 HN ALA 10 -4.443 -16.170 4.892 22 HA ALA 10 HA ALA 10 -4.718 -18.973 4.850 23 1HB ALA 10 1HB ALA 10 -2.881 -17.310 3.099 24 2HB ALA 10 2HB ALA 10 -3.750 -18.807 2.685 25 3HB ALA 10 3HB ALA 10 -4.650 -17.287 2.908 26 H LEU 11 HN LEU 11 -1.794 -16.819 5.083 27 HA LEU 11 HA LEU 11 0.095 -18.762 5.354 28 1HB LEU 11 2HB LEU 11 1.472 -17.063 5.759 29 2HB LEU 11 3HB LEU 11 0.077 -16.077 5.368 30 HG LEU 11 HG LEU 11 -0.442 -16.057 7.872 31 1HD1 LEU 11 1HD1 LEU 11 2.003 -16.296 9.044 32 2HD1 LEU 11 2HD1 LEU 11 0.744 -17.554 9.052 33 3HD1 LEU 11 3HD1 LEU 11 2.058 -17.619 7.854 34 1HD2 LEU 11 1HD2 LEU 11 2.127 -14.657 7.654 35 2HD2 LEU 11 2HD2 LEU 11 1.035 -14.381 6.277 36 3HD2 LEU 11 3HD2 LEU 11 0.487 -14.024 7.932 37 H ILE 12 HN ILE 12 -2.195 -17.490 7.805 38 HA ILE 12 HA ILE 12 -0.987 -18.837 9.974 39 HB ILE 12 HB ILE 12 -3.661 -17.553 9.493 40 1HG1 ILE 12 2HG1 ILE 12 -1.865 -15.993 9.731 41 2HG1 ILE 12 3HG1 ILE 12 -2.803 -15.967 11.211 42 1HG2 ILE 12 1HG2 ILE 12 -2.869 -19.386 11.685 43 2HG2 ILE 12 2HG2 ILE 12 -3.670 -17.871 12.166 44 3HG2 ILE 12 3HG2 ILE 12 -4.477 -18.985 11.037 45 1HD1 ILE 12 1HD1 ILE 12 0.004 -16.756 10.791 46 2HD1 ILE 12 2HD1 ILE 12 -0.825 -16.274 12.290 47 3HD1 ILE 12 3HD1 ILE 12 -0.914 -17.960 11.726 48 H THR 13 HN THR 13 -3.745 -19.603 7.761 49 HA THR 13 HA THR 13 -4.530 -21.969 8.964 50 HB THR 13 HB THR 13 -4.562 -20.928 6.092 51 HG1 THR 13 HG1 THR 13 -5.971 -19.833 7.522 52 1HG2 THR 13 1HG2 THR 13 -4.968 -23.632 6.827 53 2HG2 THR 13 2HG2 THR 13 -6.601 -22.924 6.809 54 3HG2 THR 13 3HG2 THR 13 -5.579 -22.842 5.353 55 H MET 14 HN MET 14 -2.046 -21.467 6.377 56 HA MET 14 HA MET 14 -1.412 -24.219 6.372 57 1HB MET 14 2HB MET 14 0.474 -23.439 4.882 58 2HB MET 14 3HB MET 14 -1.071 -22.780 4.382 59 1HG MET 14 2HG MET 14 -0.575 -20.614 5.241 60 2HG MET 14 3HG MET 14 0.679 -21.216 6.307 61 1HE MET 14 1HE MET 14 2.394 -19.117 5.113 62 2HE MET 14 2HE MET 14 2.755 -20.613 6.008 63 3HE MET 14 3HE MET 14 3.649 -20.230 4.518 64 H ALA 15 HN ALA 15 -0.521 -21.490 8.351 65 HA ALA 15 HA ALA 15 2.069 -22.367 9.079 66 1HB ALA 15 1HB ALA 15 1.655 -20.739 10.999 67 2HB ALA 15 2HB ALA 15 1.490 -20.060 9.362 68 3HB ALA 15 3HB ALA 15 0.038 -20.470 10.306 69 H ILE 16 HN ILE 16 -1.188 -22.588 10.676 70 HA ILE 16 HA ILE 16 -0.162 -24.253 12.746 71 HB ILE 16 HB ILE 16 -3.026 -23.745 11.939 72 1HG1 ILE 16 2HG1 ILE 16 -1.586 -21.668 12.313 73 2HG1 ILE 16 3HG1 ILE 16 -3.062 -21.807 13.246 74 1HG2 ILE 16 1HG2 ILE 16 -1.769 -25.288 14.051 75 2HG2 ILE 16 2HG2 ILE 16 -2.819 -24.010 14.707 76 3HG2 ILE 16 3HG2 ILE 16 -3.477 -25.199 13.558 77 1HD1 ILE 16 1HD1 ILE 16 -1.886 -21.688 15.173 78 2HD1 ILE 16 2HD1 ILE 16 -0.945 -23.126 14.708 79 3HD1 ILE 16 3HD1 ILE 16 -0.391 -21.505 14.225 80 H ARG 17 HN ARG 17 -1.520 -24.711 9.508 81 HA ARG 17 HA ARG 17 -2.479 -27.214 9.665 82 1HB ARG 17 2HB ARG 17 -2.436 -25.751 7.612 83 2HB ARG 17 3HB ARG 17 -0.728 -26.092 7.418 84 1HG ARG 17 2HG ARG 17 -2.505 -28.488 7.683 85 2HG ARG 17 3HG ARG 17 -2.713 -27.549 6.217 86 1HD ARG 17 2HD ARG 17 0.095 -27.741 6.534 87 2HD ARG 17 3HD ARG 17 -0.501 -29.327 6.982 88 HE ARG 17 HE ARG 17 -1.280 -29.665 4.771 89 1HH1 ARG 17 2HH2 ARG 17 -0.186 -26.348 5.204 90 2HH1 ARG 17 1HH2 ARG 17 -0.204 -25.986 3.511 91 1HH2 ARG 17 2HH1 ARG 17 -1.304 -29.188 2.537 92 2HH2 ARG 17 1HH1 ARG 17 -0.844 -27.612 1.983 93 H ASP 18 HN ASP 18 0.816 -26.140 10.121 94 HA ASP 18 HA ASP 18 2.281 -28.248 9.270 95 1HB ASP 18 2HB ASP 18 3.213 -26.166 10.255 96 2HB ASP 18 3HB ASP 18 2.603 -26.619 11.834 97 H SER 19 HN SER 19 0.107 -27.919 12.073 98 HA SER 19 HA SER 19 1.062 -30.392 13.203 99 1HB SER 19 2HB SER 19 -0.270 -29.858 15.116 100 2HB SER 19 3HB SER 19 0.442 -28.343 14.597 101 HG SER 19 HG SER 19 -1.525 -27.558 14.348 102 H ALA 20 HN ALA 20 -1.832 -30.809 14.275 103 HA ALA 20 HA ALA 20 -3.466 -31.338 12.042 104 1HB ALA 20 1HB ALA 20 -2.870 -33.417 11.419 105 2HB ALA 20 2HB ALA 20 -1.399 -33.213 12.400 106 3HB ALA 20 3HB ALA 20 -2.842 -33.978 13.108 107 H GLY 21 HN GLY 21 -3.515 -30.047 14.677 108 1HA GLY 21 1HA GLY 21 -5.245 -29.798 16.157 109 2HA GLY 21 2HA GLY 21 -5.888 -31.363 15.700 110 H GLY 22 HN GLY 22 -2.545 -30.501 16.802 111 1HA GLY 22 1HA GLY 22 -3.026 -32.002 19.287 112 2HA GLY 22 2HA GLY 22 -1.720 -32.486 18.223 113 H ARG 23 HN ARG 23 -0.198 -30.585 17.495 114 HA ARG 23 HA ARG 23 -0.084 -28.411 19.300 115 1HB ARG 23 2HB ARG 23 2.067 -28.942 20.351 116 2HB ARG 23 3HB ARG 23 0.952 -30.255 20.674 117 1HG ARG 23 2HG ARG 23 2.288 -30.800 18.165 118 2HG ARG 23 3HG ARG 23 3.506 -30.378 19.352 119 1HD ARG 23 2HD ARG 23 3.342 -32.578 19.978 120 2HD ARG 23 3HD ARG 23 1.921 -32.050 20.858 121 HE ARG 23 HE ARG 23 0.543 -33.094 19.258 122 1HH1 ARG 23 2HH2 ARG 23 3.859 -32.971 18.088 123 2HH1 ARG 23 1HH2 ARG 23 3.560 -34.025 16.746 124 1HH2 ARG 23 2HH1 ARG 23 0.148 -34.486 17.489 125 2HH2 ARG 23 1HH1 ARG 23 1.435 -34.893 16.404 126 H LEU 24 HN LEU 24 1.821 -26.934 18.729 127 HA LEU 24 HA LEU 24 3.241 -27.574 16.317 128 1HB LEU 24 2HB LEU 24 2.192 -26.289 14.815 129 2HB LEU 24 3HB LEU 24 0.802 -26.653 15.818 130 HG LEU 24 HG LEU 24 2.243 -24.255 16.700 131 1HD1 LEU 24 1HD1 LEU 24 1.020 -23.030 14.649 132 2HD1 LEU 24 2HD1 LEU 24 2.729 -23.524 14.615 133 3HD1 LEU 24 3HD1 LEU 24 1.492 -24.545 13.842 134 1HD2 LEU 24 1HD2 LEU 24 0.022 -24.972 17.519 135 2HD2 LEU 24 2HD2 LEU 24 0.013 -23.331 16.828 136 3HD2 LEU 24 3HD2 LEU 24 -0.644 -24.694 15.891 137 H THR 25 HN THR 25 4.884 -25.889 15.821 138 HA THR 25 HA THR 25 5.530 -24.379 18.267 139 HB THR 25 HB THR 25 7.350 -25.805 18.100 140 HG1 THR 25 HG1 THR 25 8.925 -24.528 17.088 141 1HG2 THR 25 1HG2 THR 25 8.146 -26.794 15.947 142 2HG2 THR 25 2HG2 THR 25 6.426 -27.164 16.212 143 3HG2 THR 25 3HG2 THR 25 6.895 -25.882 15.070 144 H LEU 26 HN LEU 26 4.622 -22.397 17.930 145 HA LEU 26 HA LEU 26 4.349 -21.133 15.512 146 1HB LEU 26 2HB LEU 26 4.352 -20.364 18.358 147 2HB LEU 26 3HB LEU 26 4.682 -19.058 17.238 148 HG LEU 26 HG LEU 26 2.335 -19.095 17.721 149 1HD1 LEU 26 1HD1 LEU 26 2.139 -20.299 15.035 150 2HD1 LEU 26 2HD1 LEU 26 1.662 -18.686 15.617 151 3HD1 LEU 26 3HD1 LEU 26 3.362 -19.017 15.204 152 1HD2 LEU 26 1HD2 LEU 26 1.902 -21.806 16.542 153 2HD2 LEU 26 2HD2 LEU 26 2.486 -21.687 18.220 154 3HD2 LEU 26 3HD2 LEU 26 0.952 -20.913 17.754 155 H ALA 27 HN ALA 27 7.214 -21.541 17.564 156 HA ALA 27 HA ALA 27 8.754 -19.482 16.449 157 1HB ALA 27 1HB ALA 27 9.094 -21.821 18.203 158 2HB ALA 27 2HB ALA 27 10.532 -21.470 17.214 159 3HB ALA 27 3HB ALA 27 9.858 -20.215 18.281 160 H GLU 28 HN GLU 28 8.562 -23.033 15.698 161 HA GLU 28 HA GLU 28 10.286 -22.735 13.486 162 1HB GLU 28 2HB GLU 28 9.673 -24.845 14.987 163 2HB GLU 28 3HB GLU 28 8.405 -25.078 13.800 164 1HG GLU 28 2HG GLU 28 10.164 -24.966 11.974 165 2HG GLU 28 3HG GLU 28 11.397 -24.875 13.217 166 H ILE 29 HN ILE 29 6.736 -22.828 13.995 167 HA ILE 29 HA ILE 29 6.002 -23.102 11.318 168 HB ILE 29 HB ILE 29 4.753 -22.416 13.871 169 1HG1 ILE 29 2HG1 ILE 29 2.886 -23.771 12.648 170 2HG1 ILE 29 3HG1 ILE 29 4.127 -24.100 11.455 171 1HG2 ILE 29 1HG2 ILE 29 2.657 -21.578 12.602 172 2HG2 ILE 29 2HG2 ILE 29 3.965 -20.427 12.967 173 3HG2 ILE 29 3HG2 ILE 29 3.811 -21.109 11.330 174 1HD1 ILE 29 1HD1 ILE 29 4.702 -25.832 12.825 175 2HD1 ILE 29 2HD1 ILE 29 5.497 -24.584 13.814 176 3HD1 ILE 29 3HD1 ILE 29 3.851 -25.126 14.220 177 H ASN 30 HN ASN 30 6.902 -20.257 13.313 178 HA ASN 30 HA ASN 30 6.144 -18.411 11.335 179 1HB ASN 30 2HB ASN 30 7.779 -18.336 13.884 180 2HB ASN 30 3HB ASN 30 7.896 -16.969 12.794 181 1HD2 ASN 30 1HD2 ASN 30 6.861 -16.865 15.392 182 2HD2 ASN 30 2HD2 ASN 30 5.182 -16.443 15.334 183 H GLU 31 HN GLU 31 9.125 -20.195 12.257 184 HA GLU 31 HA GLU 31 10.947 -18.733 10.811 185 1HB GLU 31 2HB GLU 31 11.348 -20.617 12.514 186 2HB GLU 31 3HB GLU 31 11.050 -21.749 11.211 187 1HG GLU 31 2HG GLU 31 13.057 -21.301 10.173 188 2HG GLU 31 3HG GLU 31 12.985 -19.588 10.534 189 H TYR 32 HN TYR 32 8.792 -21.451 9.833 190 HA TYR 32 HA TYR 32 9.890 -21.524 7.179 191 1HB TYR 32 2HB TYR 32 8.788 -23.565 7.343 192 2HB TYR 32 3HB TYR 32 8.340 -23.118 8.977 193 HD1 TYR 32 HD1 TYR 32 7.196 -22.118 5.533 194 HD2 TYR 32 HD2 TYR 32 6.105 -23.482 9.439 195 HE1 TYR 32 HE1 TYR 32 4.743 -22.101 4.862 196 HE2 TYR 32 HE2 TYR 32 3.656 -23.461 8.755 197 HH TYR 32 HH TYR 32 2.715 -22.957 5.443 198 H LEU 33 HN LEU 33 6.929 -20.266 8.813 199 HA LEU 33 HA LEU 33 5.442 -19.616 6.620 200 1HB LEU 33 2HB LEU 33 4.225 -19.185 8.429 201 2HB LEU 33 3HB LEU 33 5.624 -18.809 9.415 202 HG LEU 33 HG LEU 33 3.951 -16.954 9.136 203 1HD1 LEU 33 1HD1 LEU 33 5.579 -15.494 9.594 204 2HD1 LEU 33 2HD1 LEU 33 6.690 -16.866 9.366 205 3HD1 LEU 33 3HD1 LEU 33 6.376 -15.743 8.022 206 1HD2 LEU 33 1HD2 LEU 33 4.968 -16.034 6.577 207 2HD2 LEU 33 2HD2 LEU 33 4.128 -17.596 6.430 208 3HD2 LEU 33 3HD2 LEU 33 3.292 -16.200 7.152 209 H MET 34 HN MET 34 8.205 -17.827 8.085 210 HA MET 34 HA MET 34 7.918 -15.690 6.242 211 1HB MET 34 2HB MET 34 8.973 -15.705 8.643 212 2HB MET 34 3HB MET 34 10.392 -16.410 7.894 213 1HG MET 34 2HG MET 34 10.763 -14.463 6.513 214 2HG MET 34 3HG MET 34 9.167 -13.822 6.850 215 1HE MET 34 1HE MET 34 12.577 -14.274 7.531 216 2HE MET 34 2HE MET 34 12.977 -12.999 8.706 217 3HE MET 34 3HE MET 34 12.650 -14.656 9.268 218 H GLY 35 HN GLY 35 10.136 -18.524 6.624 219 1HA GLY 35 1HA GLY 35 11.869 -17.952 4.514 220 2HA GLY 35 2HA GLY 35 11.521 -19.537 5.175 221 H LYS 36 HN LYS 36 8.495 -18.908 4.507 222 HA LYS 36 HA LYS 36 8.725 -19.879 1.761 223 1HB LYS 36 2HB LYS 36 7.262 -20.781 3.952 224 2HB LYS 36 3HB LYS 36 6.069 -19.945 2.980 225 1HG LYS 36 2HG LYS 36 7.576 -21.365 1.078 226 2HG LYS 36 3HG LYS 36 7.486 -22.473 2.434 227 1HD LYS 36 2HD LYS 36 4.904 -21.747 2.435 228 2HD LYS 36 3HD LYS 36 5.242 -21.324 0.769 229 1HE LYS 36 2HE LYS 36 6.440 -23.862 1.080 230 2HE LYS 36 3HE LYS 36 4.947 -23.985 1.989 231 1HZ LYS 36 1HZ LYS 36 3.847 -24.076 0.102 232 2HZ LYS 36 2HZ LYS 36 4.459 -22.654 -0.416 233 3HZ LYS 36 3HZ LYS 36 5.245 -24.048 -0.740 234 H PHE 37 HN PHE 37 7.640 -17.177 3.764 235 HA PHE 37 HA PHE 37 6.387 -15.983 1.403 236 1HB PHE 37 2HB PHE 37 6.262 -15.624 4.438 237 2HB PHE 37 3HB PHE 37 5.708 -14.325 3.399 238 HD1 PHE 37 HD1 PHE 37 5.304 -18.022 3.083 239 HD2 PHE 37 HD2 PHE 37 3.403 -14.260 3.575 240 HE1 PHE 37 HE1 PHE 37 3.061 -19.131 2.893 241 HE2 PHE 37 HE2 PHE 37 1.160 -15.369 3.384 242 HZ PHE 37 HZ PHE 37 1.015 -17.791 3.045 243 HA PRO 38 HA PRO 38 10.087 -13.578 1.364 244 1HB PRO 38 2HB PRO 38 9.834 -12.657 -1.196 245 2HB PRO 38 3HB PRO 38 10.623 -14.170 -0.795 246 1HG PRO 38 2HG PRO 38 7.951 -13.731 -1.981 247 2HG PRO 38 3HG PRO 38 8.918 -15.192 -1.965 248 1HD PRO 38 2HD PRO 38 6.639 -14.624 -0.318 249 2HD PRO 38 3HD PRO 38 7.676 -16.034 -0.223 250 H PHE 39 HN PHE 39 6.938 -12.478 0.314 251 HA PHE 39 HA PHE 39 7.466 -9.769 0.373 252 1HB PHE 39 2HB PHE 39 4.969 -11.365 1.207 253 2HB PHE 39 3HB PHE 39 4.950 -9.674 0.749 254 HD1 PHE 39 HD1 PHE 39 5.725 -9.092 -1.635 255 HD2 PHE 39 HD2 PHE 39 4.708 -13.026 -0.414 256 HE1 PHE 39 HE1 PHE 39 5.374 -9.745 -4.033 257 HE2 PHE 39 HE2 PHE 39 4.357 -13.680 -2.812 258 HZ PHE 39 HZ PHE 39 4.694 -12.032 -4.593 259 H PHE 40 HN PHE 40 6.763 -12.077 3.019 260 HA PHE 40 HA PHE 40 6.411 -9.981 4.940 261 1HB PHE 40 2HB PHE 40 5.913 -12.784 4.624 262 2HB PHE 40 3HB PHE 40 7.101 -12.695 5.909 263 HD1 PHE 40 HD1 PHE 40 4.445 -10.202 5.220 264 HD2 PHE 40 HD2 PHE 40 5.785 -13.333 7.751 265 HE1 PHE 40 HE1 PHE 40 2.627 -9.653 6.861 266 HE2 PHE 40 HE2 PHE 40 3.967 -12.784 9.393 267 HZ PHE 40 HZ PHE 40 2.410 -10.950 8.928 268 H ARG 41 HN ARG 41 9.079 -11.822 3.574 269 HA ARG 41 HA ARG 41 10.749 -11.258 5.835 270 1HB ARG 41 2HB ARG 41 10.810 -13.400 4.335 271 2HB ARG 41 3HB ARG 41 11.646 -12.407 3.157 272 1HG ARG 41 2HG ARG 41 13.442 -11.912 4.770 273 2HG ARG 41 3HG ARG 41 12.576 -12.744 6.047 274 1HD ARG 41 2HD ARG 41 12.675 -14.855 4.545 275 2HD ARG 41 3HD ARG 41 13.814 -13.975 3.546 276 HE ARG 41 HE ARG 41 14.767 -13.717 6.183 277 1HH1 ARG 41 2HH2 ARG 41 14.129 -16.342 3.928 278 2HH1 ARG 41 1HH2 ARG 41 15.350 -17.377 4.588 279 1HH2 ARG 41 2HH1 ARG 41 16.379 -15.083 7.055 280 2HH2 ARG 41 1HH1 ARG 41 16.639 -16.657 6.379 281 H GLY 42 HN GLY 42 9.510 -9.301 3.594 282 1HA GLY 42 1HA GLY 42 11.977 -7.713 3.350 283 2HA GLY 42 2HA GLY 42 11.016 -8.051 1.924 284 H SER 43 HN SER 43 10.156 -7.215 5.361 285 HA SER 43 HA SER 43 9.140 -4.698 4.489 286 1HB SER 43 2HB SER 43 7.271 -6.911 5.426 287 2HB SER 43 3HB SER 43 6.828 -5.218 5.516 288 HG SER 43 HG SER 43 6.665 -6.868 3.383 289 H TYR 44 HN TYR 44 8.074 -6.810 7.229 290 HA TYR 44 HA TYR 44 9.930 -5.592 9.048 291 1HB TYR 44 2HB TYR 44 8.229 -4.362 10.288 292 2HB TYR 44 3HB TYR 44 7.922 -3.963 8.610 293 HD1 TYR 44 HD1 TYR 44 6.337 -4.747 11.559 294 HD2 TYR 44 HD2 TYR 44 6.304 -5.881 7.433 295 HE1 TYR 44 HE1 TYR 44 3.942 -5.566 11.795 296 HE2 TYR 44 HE2 TYR 44 3.909 -6.696 7.684 297 HH TYR 44 HH TYR 44 1.924 -5.828 9.803 298 H THR 45 HN THR 45 10.512 -7.225 10.382 299 HA THR 45 HA THR 45 8.721 -9.495 10.645 300 HB THR 45 HB THR 45 11.608 -8.901 11.470 301 HG1 THR 45 HG1 THR 45 11.926 -10.294 9.640 302 1HG2 THR 45 1HG2 THR 45 9.795 -11.275 11.981 303 2HG2 THR 45 2HG2 THR 45 11.502 -11.571 11.570 304 3HG2 THR 45 3HG2 THR 45 11.087 -10.612 13.010 305 H GLY 46 HN GLY 46 7.255 -7.649 11.740 306 1HA GLY 46 1HA GLY 46 7.610 -8.097 14.632 307 2HA GLY 46 2HA GLY 46 7.314 -6.484 14.016 308 H TRP 47 HN TRP 47 5.975 -9.743 13.110 309 HA TRP 47 HA TRP 47 3.314 -8.664 13.746 310 1HB TRP 47 2HB TRP 47 2.664 -10.337 11.805 311 2HB TRP 47 3HB TRP 47 3.064 -8.657 11.508 312 HD1 TRP 47 HD1 TRP 47 4.792 -8.356 9.579 313 HE1 TRP 47 HE1 TRP 47 6.689 -9.745 8.380 314 HE3 TRP 47 HE3 TRP 47 4.447 -12.429 12.603 315 HZ2 TRP 47 HZ2 TRP 47 7.807 -12.334 8.821 316 HZ3 TRP 47 HZ3 TRP 47 5.978 -14.344 12.150 317 HH2 TRP 47 HH2 TRP 47 7.615 -14.341 10.335 318 H ARG 48 HN ARG 48 5.666 -10.552 14.879 319 HA ARG 48 HA ARG 48 4.660 -13.099 14.960 320 1HB ARG 48 2HB ARG 48 6.813 -11.637 16.140 321 2HB ARG 48 3HB ARG 48 5.974 -12.396 17.478 322 1HG ARG 48 2HG ARG 48 6.308 -14.594 16.609 323 2HG ARG 48 3HG ARG 48 6.645 -14.006 14.993 324 1HD ARG 48 2HD ARG 48 8.774 -12.961 15.830 325 2HD ARG 48 3HD ARG 48 8.440 -13.584 17.434 326 HE ARG 48 HE ARG 48 9.149 -15.699 16.732 327 1HH1 ARG 48 2HH2 ARG 48 8.414 -13.742 13.901 328 2HH1 ARG 48 1HH2 ARG 48 9.015 -14.914 12.777 329 1HH2 ARG 48 2HH1 ARG 48 9.942 -17.246 15.249 330 2HH2 ARG 48 1HH1 ARG 48 9.889 -16.921 13.548 331 H ASN 49 HN ASN 49 4.044 -10.226 17.044 332 HA ASN 49 HA ASN 49 2.549 -11.657 18.940 333 1HB ASN 49 2HB ASN 49 3.168 -8.795 18.315 334 2HB ASN 49 3HB ASN 49 1.651 -9.045 19.157 335 1HD2 ASN 49 1HD2 ASN 49 3.974 -7.736 20.147 336 2HD2 ASN 49 2HD2 ASN 49 4.547 -8.594 21.538 337 H SER 50 HN SER 50 1.754 -9.426 16.174 338 HA SER 50 HA SER 50 -0.980 -9.541 16.458 339 1HB SER 50 2HB SER 50 0.069 -7.861 15.056 340 2HB SER 50 3HB SER 50 0.785 -9.080 14.020 341 HG SER 50 HG SER 50 -2.045 -8.529 14.313 342 H VAL 51 HN VAL 51 1.212 -11.427 14.246 343 HA VAL 51 HA VAL 51 -0.733 -13.006 13.096 344 HB VAL 51 HB VAL 51 2.182 -13.477 13.717 345 1HG1 VAL 51 1HG1 VAL 51 0.685 -15.595 13.398 346 2HG1 VAL 51 2HG1 VAL 51 0.668 -15.104 11.687 347 3HG1 VAL 51 3HG1 VAL 51 2.214 -15.454 12.497 348 1HG2 VAL 51 1HG2 VAL 51 1.240 -13.174 10.931 349 2HG2 VAL 51 2HG2 VAL 51 1.031 -11.735 11.957 350 3HG2 VAL 51 3HG2 VAL 51 2.645 -12.458 11.756 351 H ARG 52 HN ARG 52 1.172 -13.508 16.131 352 HA ARG 52 HA ARG 52 0.220 -16.008 16.684 353 1HB ARG 52 2HB ARG 52 1.366 -13.737 18.287 354 2HB ARG 52 3HB ARG 52 0.560 -14.996 19.201 355 1HG ARG 52 2HG ARG 52 2.014 -16.719 18.248 356 2HG ARG 52 3HG ARG 52 2.711 -15.578 17.116 357 1HD ARG 52 2HD ARG 52 3.613 -14.242 19.062 358 2HD ARG 52 3HD ARG 52 2.973 -15.449 20.160 359 HE ARG 52 HE ARG 52 4.717 -16.539 18.054 360 1HH1 ARG 52 2HH2 ARG 52 4.549 -15.245 21.322 361 2HH1 ARG 52 1HH2 ARG 52 6.033 -15.982 21.827 362 1HH2 ARG 52 2HH1 ARG 52 6.675 -17.512 18.720 363 2HH2 ARG 52 1HH1 ARG 52 7.250 -17.280 20.337 364 H HIS 53 HN HIS 53 -1.128 -12.748 17.448 365 HA HIS 53 HA HIS 53 -3.150 -13.558 19.143 366 1HB HIS 53 2HB HIS 53 -2.428 -11.184 17.604 367 2HB HIS 53 3HB HIS 53 -4.165 -11.380 17.725 368 HD1 HIS 53 HD1 HIS 53 -4.083 -9.184 19.263 369 HD2 HIS 53 HD2 HIS 53 -2.264 -12.606 20.870 370 HE1 HIS 53 HE1 HIS 53 -3.781 -8.730 21.756 371 H ASN 54 HN ASN 54 -3.317 -12.925 15.563 372 HA ASN 54 HA ASN 54 -5.916 -13.784 15.302 373 1HB ASN 54 2HB ASN 54 -4.127 -12.638 13.622 374 2HB ASN 54 3HB ASN 54 -3.935 -14.291 13.073 375 1HD2 ASN 54 1HD2 ASN 54 -6.162 -11.625 13.508 376 2HD2 ASN 54 2HD2 ASN 54 -7.387 -12.143 12.398 377 H LEU 55 HN LEU 55 -2.748 -15.490 15.239 378 HA LEU 55 HA LEU 55 -3.435 -17.886 14.141 379 1HB LEU 55 2HB LEU 55 -1.194 -16.976 15.002 380 2HB LEU 55 3HB LEU 55 -1.656 -17.643 16.555 381 HG LEU 55 HG LEU 55 -2.065 -19.765 14.803 382 1HD1 LEU 55 1HD1 LEU 55 -0.841 -19.484 12.975 383 2HD1 LEU 55 2HD1 LEU 55 -0.207 -17.934 13.579 384 3HD1 LEU 55 3HD1 LEU 55 0.614 -19.456 14.000 385 1HD2 LEU 55 1HD2 LEU 55 0.083 -19.026 16.768 386 2HD2 LEU 55 2HD2 LEU 55 -1.200 -20.253 16.891 387 3HD2 LEU 55 3HD2 LEU 55 0.200 -20.533 15.829 388 H SER 56 HN SER 56 -3.810 -16.849 17.594 389 HA SER 56 HA SER 56 -5.144 -19.294 18.192 390 1HB SER 56 2HB SER 56 -4.057 -18.592 20.096 391 2HB SER 56 3HB SER 56 -4.194 -16.895 19.683 392 HG SER 56 HG SER 56 -5.499 -17.567 21.559 393 H LEU 57 HN LEU 57 -5.963 -15.992 17.214 394 HA LEU 57 HA LEU 57 -8.709 -16.226 18.033 395 1HB LEU 57 2HB LEU 57 -6.916 -14.165 16.969 396 2HB LEU 57 3HB LEU 57 -8.542 -14.082 16.322 397 HG LEU 57 HG LEU 57 -9.380 -14.115 18.724 398 1HD1 LEU 57 1HD1 LEU 57 -6.838 -14.819 19.378 399 2HD1 LEU 57 2HD1 LEU 57 -6.799 -13.069 19.698 400 3HD1 LEU 57 3HD1 LEU 57 -8.010 -14.094 20.505 401 1HD2 LEU 57 1HD2 LEU 57 -9.693 -11.996 18.126 402 2HD2 LEU 57 2HD2 LEU 57 -8.147 -11.627 18.927 403 3HD2 LEU 57 3HD2 LEU 57 -8.186 -11.962 17.179 404 H ASN 58 HN ASN 58 -6.992 -17.853 15.777 405 HA ASN 58 HA ASN 58 -9.055 -17.590 13.748 406 1HB ASN 58 2HB ASN 58 -6.574 -17.390 13.118 407 2HB ASN 58 3HB ASN 58 -6.378 -19.070 13.576 408 1HD2 ASN 58 1HD2 ASN 58 -6.619 -17.179 11.024 409 2HD2 ASN 58 2HD2 ASN 58 -7.451 -18.179 9.880 410 H ASP 59 HN ASP 59 -6.857 -20.200 15.056 411 HA ASP 59 HA ASP 59 -8.774 -22.189 14.503 412 1HB ASP 59 2HB ASP 59 -6.007 -22.032 15.253 413 2HB ASP 59 3HB ASP 59 -6.793 -23.035 16.455 414 H CYS 60 HN CYS 60 -7.419 -20.594 17.475 415 HA CYS 60 HA CYS 60 -8.473 -20.098 19.380 416 1HB CYS 60 2HB CYS 60 -10.697 -20.788 17.900 417 2HB CYS 60 3HB CYS 60 -10.767 -21.941 19.217 418 HG CYS 60 HG CYS 60 -10.139 -18.713 19.584 419 H PHE 61 HN PHE 61 -6.375 -21.551 19.621 420 HA PHE 61 HA PHE 61 -7.173 -24.012 21.013 421 1HB PHE 61 2HB PHE 61 -4.563 -24.427 20.398 422 2HB PHE 61 3HB PHE 61 -5.822 -24.780 19.231 423 HD1 PHE 61 HD1 PHE 61 -4.122 -21.628 20.315 424 HD2 PHE 61 HD2 PHE 61 -5.163 -24.204 17.107 425 HE1 PHE 61 HE1 PHE 61 -3.064 -20.033 18.691 426 HE2 PHE 61 HE2 PHE 61 -4.104 -22.609 15.483 427 HZ PHE 61 HZ PHE 61 -3.068 -20.543 16.295 428 H VAL 62 HN VAL 62 -4.597 -24.531 22.153 429 HA VAL 62 HA VAL 62 -4.397 -22.250 23.996 430 HB VAL 62 HB VAL 62 -4.072 -25.215 24.495 431 1HG1 VAL 62 1HG1 VAL 62 -3.747 -24.590 26.866 432 2HG1 VAL 62 2HG1 VAL 62 -2.451 -23.963 25.820 433 3HG1 VAL 62 3HG1 VAL 62 -3.733 -22.873 26.400 434 1HG2 VAL 62 1HG2 VAL 62 -6.331 -25.030 24.617 435 2HG2 VAL 62 2HG2 VAL 62 -5.970 -24.390 26.238 436 3HG2 VAL 62 3HG2 VAL 62 -6.284 -23.272 24.889 437 H LYS 63 HN LYS 63 -2.269 -21.697 24.772 438 HA LYS 63 HA LYS 63 -0.147 -22.774 23.047 439 1HB LYS 63 2HB LYS 63 0.885 -20.584 23.057 440 2HB LYS 63 3HB LYS 63 -0.755 -20.466 22.454 441 1HG LYS 63 2HG LYS 63 -1.052 -20.110 25.229 442 2HG LYS 63 3HG LYS 63 0.439 -19.264 24.866 443 1HD LYS 63 2HD LYS 63 -1.863 -18.811 22.986 444 2HD LYS 63 3HD LYS 63 -2.006 -18.114 24.588 445 1HE LYS 63 2HE LYS 63 0.674 -17.646 23.487 446 2HE LYS 63 3HE LYS 63 -0.560 -17.050 22.394 447 1HZ LYS 63 1HZ LYS 63 -1.399 -15.661 24.021 448 2HZ LYS 63 2HZ LYS 63 -0.676 -16.451 25.254 449 3HZ LYS 63 3HZ LYS 63 0.215 -15.536 24.236 450 H VAL 64 HN VAL 64 1.958 -23.034 24.021 451 HA VAL 64 HA VAL 64 1.817 -23.117 26.956 452 HB VAL 64 HB VAL 64 1.952 -25.267 25.286 453 1HG1 VAL 64 1HG1 VAL 64 4.105 -26.071 24.984 454 2HG1 VAL 64 2HG1 VAL 64 4.333 -24.327 24.711 455 3HG1 VAL 64 3HG1 VAL 64 4.784 -25.050 26.274 456 1HG2 VAL 64 1HG2 VAL 64 2.950 -24.871 28.115 457 2HG2 VAL 64 2HG2 VAL 64 1.393 -25.536 27.566 458 3HG2 VAL 64 3HG2 VAL 64 2.890 -26.473 27.341 459 H LEU 65 HN LEU 65 3.641 -22.384 28.102 460 HA LEU 65 HA LEU 65 5.970 -21.587 26.602 461 1HB LEU 65 2HB LEU 65 5.890 -19.268 27.210 462 2HB LEU 65 3HB LEU 65 4.488 -19.694 26.249 463 HG LEU 65 HG LEU 65 4.111 -19.816 29.190 464 1HD1 LEU 65 1HD1 LEU 65 3.624 -17.174 28.847 465 2HD1 LEU 65 2HD1 LEU 65 5.125 -17.836 29.538 466 3HD1 LEU 65 3HD1 LEU 65 5.064 -17.375 27.820 467 1HD2 LEU 65 1HD2 LEU 65 2.117 -18.276 28.027 468 2HD2 LEU 65 2HD2 LEU 65 2.532 -19.462 26.767 469 3HD2 LEU 65 3HD2 LEU 65 2.044 -20.018 28.386 470 H ARG 66 HN ARG 66 5.084 -23.508 28.762 471 HA ARG 66 HA ARG 66 7.036 -22.585 30.700 472 1HB ARG 66 2HB ARG 66 4.559 -22.364 31.483 473 2HB ARG 66 3HB ARG 66 4.524 -24.115 31.511 474 1HG ARG 66 2HG ARG 66 5.486 -24.089 33.561 475 2HG ARG 66 3HG ARG 66 6.921 -23.361 32.868 476 1HD ARG 66 2HD ARG 66 6.277 -21.179 33.453 477 2HD ARG 66 3HD ARG 66 4.566 -21.557 33.422 478 HE ARG 66 HE ARG 66 5.435 -23.108 35.509 479 1HH1 ARG 66 2HH2 ARG 66 5.934 -19.714 34.727 480 2HH1 ARG 66 1HH2 ARG 66 6.081 -19.222 36.381 481 1HH2 ARG 66 2HH1 ARG 66 5.628 -22.460 37.692 482 2HH2 ARG 66 1HH1 ARG 66 5.906 -20.795 38.079 483 H ASP 67 HN ASP 67 8.519 -24.025 29.511 484 HA ASP 67 HA ASP 67 8.291 -26.707 30.475 485 1HB ASP 67 2HB ASP 67 7.602 -26.017 27.744 486 2HB ASP 67 3HB ASP 67 9.079 -26.959 27.720 487 HA PRO 68 HA PRO 68 12.647 -26.229 30.272 488 1HB PRO 68 2HB PRO 68 13.583 -28.772 29.915 489 2HB PRO 68 3HB PRO 68 13.040 -28.159 31.465 490 1HG PRO 68 2HG PRO 68 11.670 -30.024 29.626 491 2HG PRO 68 3HG PRO 68 11.362 -29.736 31.327 492 1HD PRO 68 2HD PRO 68 9.814 -28.768 29.115 493 2HD PRO 68 3HD PRO 68 9.575 -28.385 30.808 494 H SER 69 HN SER 69 12.090 -24.970 28.209 495 HA SER 69 HA SER 69 14.126 -25.540 26.444 496 1HB SER 69 2HB SER 69 12.168 -27.349 25.954 497 2HB SER 69 3HB SER 69 11.552 -26.031 24.977 498 HG SER 69 HG SER 69 13.424 -26.036 23.717 499 H ARG 70 HN ARG 70 13.641 -23.235 27.646 500 HA ARG 70 HA ARG 70 12.494 -21.627 25.527 501 1HB ARG 70 2HB ARG 70 11.898 -21.373 28.514 502 2HB ARG 70 3HB ARG 70 11.560 -20.085 27.374 503 1HG ARG 70 2HG ARG 70 10.046 -21.550 26.092 504 2HG ARG 70 3HG ARG 70 10.465 -22.923 27.097 505 1HD ARG 70 2HD ARG 70 8.748 -20.535 27.763 506 2HD ARG 70 3HD ARG 70 8.464 -22.229 28.105 507 HE ARG 70 HE ARG 70 9.782 -22.060 30.064 508 1HH1 ARG 70 2HH2 ARG 70 10.019 -19.113 28.157 509 2HH1 ARG 70 1HH2 ARG 70 10.789 -18.208 29.416 510 1HH2 ARG 70 2HH1 ARG 70 10.798 -20.866 31.727 511 2HH2 ARG 70 1HH1 ARG 70 11.235 -19.211 31.461 512 HA PRO 71 HA PRO 71 16.543 -20.042 26.673 513 1HB PRO 71 2HB PRO 71 17.357 -19.383 24.149 514 2HB PRO 71 3HB PRO 71 17.673 -20.943 24.881 515 1HG PRO 71 2HG PRO 71 15.698 -20.240 22.797 516 2HG PRO 71 3HG PRO 71 16.321 -21.819 23.231 517 1HD PRO 71 2HD PRO 71 13.756 -20.737 23.923 518 2HD PRO 71 3HD PRO 71 14.425 -22.267 24.452 519 H TRP 72 HN TRP 72 15.421 -18.420 27.886 520 HA TRP 72 HA TRP 72 15.009 -16.284 28.304 521 1HB TRP 72 2HB TRP 72 16.959 -16.175 26.172 522 2HB TRP 72 3HB TRP 72 15.849 -14.824 26.060 523 HD1 TRP 72 HD1 TRP 72 18.557 -16.258 28.388 524 HE1 TRP 72 HE1 TRP 72 19.328 -14.478 30.177 525 HE3 TRP 72 HE3 TRP 72 14.975 -12.823 27.284 526 HZ2 TRP 72 HZ2 TRP 72 18.375 -11.891 30.912 527 HZ3 TRP 72 HZ3 TRP 72 14.966 -10.696 28.584 528 HH2 TRP 72 HH2 TRP 72 16.588 -10.204 30.345 529 H GLY 73 HN GLY 73 13.424 -18.207 26.330 530 1HA GLY 73 1HA GLY 73 11.292 -18.101 25.564 531 2HA GLY 73 2HA GLY 73 11.230 -16.393 25.954 532 H LYS 74 HN LYS 74 11.153 -18.584 23.422 533 HA LYS 74 HA LYS 74 11.039 -16.723 21.434 534 1HB LYS 74 2HB LYS 74 13.256 -16.032 21.588 535 2HB LYS 74 3HB LYS 74 13.853 -17.638 21.954 536 1HG LYS 74 2HG LYS 74 12.495 -17.213 19.293 537 2HG LYS 74 3HG LYS 74 14.107 -16.559 19.501 538 1HD LYS 74 2HD LYS 74 13.650 -19.397 20.397 539 2HD LYS 74 3HD LYS 74 13.672 -19.098 18.671 540 1HE LYS 74 2HE LYS 74 15.874 -17.733 20.115 541 2HE LYS 74 3HE LYS 74 15.923 -19.477 20.276 542 1HZ LYS 74 1HZ LYS 74 16.192 -17.862 17.896 543 2HZ LYS 74 2HZ LYS 74 16.976 -19.231 18.319 544 3HZ LYS 74 3HZ LYS 74 15.458 -19.310 17.721 545 H ASP 75 HN ASP 75 12.260 -19.984 22.353 546 HA ASP 75 HA ASP 75 10.956 -20.994 19.959 547 1HB ASP 75 2HB ASP 75 13.429 -21.601 21.256 548 2HB ASP 75 3HB ASP 75 12.404 -23.000 21.507 549 H ASN 76 HN ASN 76 8.801 -21.469 20.501 550 HA ASN 76 HA ASN 76 8.441 -23.278 22.720 551 1HB ASN 76 2HB ASN 76 6.246 -21.847 23.213 552 2HB ASN 76 3HB ASN 76 7.775 -21.365 23.920 553 1HD2 ASN 76 1HD2 ASN 76 5.408 -20.749 21.432 554 2HD2 ASN 76 2HD2 ASN 76 5.914 -19.151 20.994 555 H TYR 77 HN TYR 77 5.738 -23.701 22.655 556 HA TYR 77 HA TYR 77 4.805 -23.694 19.911 557 1HB TYR 77 2HB TYR 77 4.344 -26.280 20.391 558 2HB TYR 77 3HB TYR 77 5.949 -25.807 19.870 559 HD1 TYR 77 HD1 TYR 77 7.779 -25.535 21.608 560 HD2 TYR 77 HD2 TYR 77 3.984 -27.289 22.518 561 HE1 TYR 77 HE1 TYR 77 8.761 -26.592 23.701 562 HE2 TYR 77 HE2 TYR 77 4.979 -28.340 24.607 563 HH TYR 77 HH TYR 77 8.379 -27.762 25.472 564 H TRP 78 HN TRP 78 2.506 -24.425 19.759 565 HA TRP 78 HA TRP 78 1.154 -23.999 22.337 566 1HB TRP 78 2HB TRP 78 0.118 -23.319 19.582 567 2HB TRP 78 3HB TRP 78 -0.668 -22.995 21.114 568 HD1 TRP 78 HD1 TRP 78 2.760 -22.136 21.878 569 HE1 TRP 78 HE1 TRP 78 3.359 -19.584 21.578 570 HE3 TRP 78 HE3 TRP 78 -1.326 -20.966 19.087 571 HZ2 TRP 78 HZ2 TRP 78 2.085 -17.411 20.237 572 HZ3 TRP 78 HZ3 TRP 78 -1.573 -18.606 18.322 573 HH2 TRP 78 HH2 TRP 78 0.050 -16.857 18.854 574 H MET 79 HN MET 79 -1.071 -25.122 22.384 575 HA MET 79 HA MET 79 -0.847 -27.646 20.932 576 1HB MET 79 2HB MET 79 -0.463 -28.148 23.256 577 2HB MET 79 3HB MET 79 -1.658 -26.985 23.796 578 1HG MET 79 2HG MET 79 -3.470 -28.406 23.323 579 2HG MET 79 3HG MET 79 -2.606 -29.272 22.068 580 1HE MET 79 1HE MET 79 -1.603 -32.323 23.559 581 2HE MET 79 2HE MET 79 -3.328 -31.908 23.414 582 3HE MET 79 3HE MET 79 -2.164 -31.313 22.205 583 H LEU 80 HN LEU 80 -2.409 -27.763 19.379 584 HA LEU 80 HA LEU 80 -5.029 -26.623 20.068 585 1HB LEU 80 2HB LEU 80 -5.329 -26.098 17.722 586 2HB LEU 80 3HB LEU 80 -3.941 -25.269 18.401 587 HG LEU 80 HG LEU 80 -3.427 -27.858 17.012 588 1HD1 LEU 80 1HD1 LEU 80 -3.393 -26.760 14.803 589 2HD1 LEU 80 2HD1 LEU 80 -5.029 -26.850 15.498 590 3HD1 LEU 80 3HD1 LEU 80 -4.134 -25.312 15.527 591 1HD2 LEU 80 1HD2 LEU 80 -1.536 -26.781 17.952 592 2HD2 LEU 80 2HD2 LEU 80 -1.448 -26.519 16.193 593 3HD2 LEU 80 3HD2 LEU 80 -1.997 -25.206 17.262 594 H ASN 81 HN ASN 81 -6.902 -27.791 19.290 595 HA ASN 81 HA ASN 81 -6.417 -30.352 18.120 596 1HB ASN 81 2HB ASN 81 -7.437 -31.668 19.912 597 2HB ASN 81 3HB ASN 81 -6.135 -30.733 20.619 598 1HD2 ASN 81 1HD2 ASN 81 -9.016 -31.820 21.306 599 2HD2 ASN 81 2HD2 ASN 81 -9.710 -30.544 22.250 600 HA PRO 82 HA PRO 82 -10.495 -29.475 16.768 601 1HB PRO 82 2HB PRO 82 -11.484 -31.946 16.151 602 2HB PRO 82 3HB PRO 82 -10.397 -31.060 15.101 603 1HG PRO 82 2HG PRO 82 -9.818 -33.388 16.828 604 2HG PRO 82 3HG PRO 82 -8.889 -32.763 15.480 605 1HD PRO 82 2HD PRO 82 -8.301 -32.433 18.267 606 2HD PRO 82 3HD PRO 82 -7.440 -31.712 16.922 Start of MODEL 12 1 H TYR 8 HN TYR 8 0.342 -11.805 6.072 2 HA TYR 8 HA TYR 8 -2.363 -11.945 5.384 3 1HB TYR 8 2HB TYR 8 0.072 -13.044 4.631 4 2HB TYR 8 3HB TYR 8 -0.599 -14.403 5.509 5 HD1 TYR 8 HD1 TYR 8 -0.212 -13.136 2.339 6 HD2 TYR 8 HD2 TYR 8 -3.271 -14.758 4.852 7 HE1 TYR 8 HE1 TYR 8 -1.551 -13.810 0.286 8 HE2 TYR 8 HE2 TYR 8 -4.600 -15.426 2.790 9 HH TYR 8 HH TYR 8 -3.223 -15.132 -0.415 10 H ILE 9 HN ILE 9 -0.402 -13.924 7.719 11 HA ILE 9 HA ILE 9 -2.556 -15.503 8.542 12 HB ILE 9 HB ILE 9 0.000 -14.773 9.976 13 1HG1 ILE 9 2HG1 ILE 9 -0.630 -17.138 8.184 14 2HG1 ILE 9 3HG1 ILE 9 0.329 -15.747 7.718 15 1HG2 ILE 9 1HG2 ILE 9 -2.172 -16.757 10.563 16 2HG2 ILE 9 2HG2 ILE 9 -0.485 -17.137 10.984 17 3HG2 ILE 9 3HG2 ILE 9 -1.268 -15.692 11.666 18 1HD1 ILE 9 1HD1 ILE 9 1.800 -16.276 9.799 19 2HD1 ILE 9 2HD1 ILE 9 0.971 -17.851 9.813 20 3HD1 ILE 9 3HD1 ILE 9 1.934 -17.365 8.398 21 H ALA 10 HN ALA 10 -1.053 -12.555 10.040 22 HA ALA 10 HA ALA 10 -2.870 -12.388 12.146 23 1HB ALA 10 1HB ALA 10 -1.689 -9.910 10.942 24 2HB ALA 10 2HB ALA 10 -1.753 -10.433 12.642 25 3HB ALA 10 3HB ALA 10 -0.570 -11.163 11.530 26 H LEU 11 HN LEU 11 -3.029 -11.387 8.730 27 HA LEU 11 HA LEU 11 -5.152 -9.598 8.951 28 1HB LEU 11 2HB LEU 11 -3.990 -9.520 6.968 29 2HB LEU 11 3HB LEU 11 -3.962 -11.262 6.776 30 HG LEU 11 HG LEU 11 -6.544 -9.718 6.565 31 1HD1 LEU 11 1HD1 LEU 11 -4.849 -10.372 4.160 32 2HD1 LEU 11 2HD1 LEU 11 -6.248 -9.279 4.292 33 3HD1 LEU 11 3HD1 LEU 11 -4.691 -8.822 5.021 34 1HD2 LEU 11 1HD2 LEU 11 -6.497 -11.880 4.792 35 2HD2 LEU 11 2HD2 LEU 11 -5.731 -12.483 6.281 36 3HD2 LEU 11 3HD2 LEU 11 -7.361 -11.771 6.344 37 H ILE 12 HN ILE 12 -5.106 -13.168 8.316 38 HA ILE 12 HA ILE 12 -7.891 -13.406 8.166 39 HB ILE 12 HB ILE 12 -5.575 -15.078 8.049 40 1HG1 ILE 12 2HG1 ILE 12 -7.488 -16.589 6.984 41 2HG1 ILE 12 3HG1 ILE 12 -8.403 -15.097 7.070 42 1HG2 ILE 12 1HG2 ILE 12 -6.070 -15.962 10.203 43 2HG2 ILE 12 2HG2 ILE 12 -7.804 -16.094 9.824 44 3HG2 ILE 12 3HG2 ILE 12 -6.631 -17.151 9.003 45 1HD1 ILE 12 1HD1 ILE 12 -6.417 -15.833 5.142 46 2HD1 ILE 12 2HD1 ILE 12 -7.327 -14.306 5.246 47 3HD1 ILE 12 3HD1 ILE 12 -5.763 -14.468 6.080 48 H THR 13 HN THR 13 -5.555 -13.544 10.895 49 HA THR 13 HA THR 13 -7.307 -14.483 12.840 50 HB THR 13 HB THR 13 -4.903 -12.589 12.976 51 HG1 THR 13 HG1 THR 13 -5.351 -15.456 13.425 52 1HG2 THR 13 1HG2 THR 13 -4.890 -14.115 15.274 53 2HG2 THR 13 2HG2 THR 13 -5.516 -12.450 15.205 54 3HG2 THR 13 3HG2 THR 13 -6.636 -13.827 15.076 55 H MET 14 HN MET 14 -6.525 -11.054 11.954 56 HA MET 14 HA MET 14 -8.366 -10.016 13.768 57 1HB MET 14 2HB MET 14 -8.003 -7.899 12.465 58 2HB MET 14 3HB MET 14 -6.483 -8.714 12.780 59 1HG MET 14 2HG MET 14 -6.326 -9.543 10.530 60 2HG MET 14 3HG MET 14 -8.017 -9.221 10.201 61 1HE MET 14 1HE MET 14 -8.209 -7.062 8.282 62 2HE MET 14 2HE MET 14 -6.519 -6.784 7.796 63 3HE MET 14 3HE MET 14 -7.092 -8.438 8.117 64 H ALA 15 HN ALA 15 -8.685 -11.364 10.524 65 HA ALA 15 HA ALA 15 -11.085 -10.065 9.818 66 1HB ALA 15 1HB ALA 15 -10.820 -11.250 7.902 67 2HB ALA 15 2HB ALA 15 -9.237 -11.694 8.585 68 3HB ALA 15 3HB ALA 15 -10.626 -12.792 8.770 69 H ILE 16 HN ILE 16 -10.368 -13.329 11.244 70 HA ILE 16 HA ILE 16 -13.153 -13.839 11.641 71 HB ILE 16 HB ILE 16 -11.538 -15.596 11.111 72 1HG1 ILE 16 2HG1 ILE 16 -12.192 -16.856 13.514 73 2HG1 ILE 16 3HG1 ILE 16 -13.436 -15.635 13.327 74 1HG2 ILE 16 1HG2 ILE 16 -10.376 -14.994 13.844 75 2HG2 ILE 16 2HG2 ILE 16 -9.970 -16.404 12.837 76 3HG2 ILE 16 3HG2 ILE 16 -9.580 -14.763 12.269 77 1HD1 ILE 16 1HD1 ILE 16 -12.996 -16.820 10.740 78 2HD1 ILE 16 2HD1 ILE 16 -13.177 -18.132 11.929 79 3HD1 ILE 16 3HD1 ILE 16 -14.454 -16.904 11.757 80 H ARG 17 HN ARG 17 -10.634 -12.124 13.319 81 HA ARG 17 HA ARG 17 -11.502 -12.549 15.913 82 1HB ARG 17 2HB ARG 17 -9.301 -11.535 15.319 83 2HB ARG 17 3HB ARG 17 -10.109 -10.117 14.682 84 1HG ARG 17 2HG ARG 17 -10.315 -9.200 16.752 85 2HG ARG 17 3HG ARG 17 -11.039 -10.660 17.399 86 1HD ARG 17 2HD ARG 17 -9.089 -11.286 18.395 87 2HD ARG 17 3HD ARG 17 -8.184 -11.083 16.908 88 HE ARG 17 HE ARG 17 -8.466 -9.116 19.068 89 1HH1 ARG 17 2HH2 ARG 17 -7.670 -9.593 15.674 90 2HH1 ARG 17 1HH2 ARG 17 -6.742 -8.135 15.555 91 1HH2 ARG 17 2HH1 ARG 17 -7.242 -7.193 18.911 92 2HH2 ARG 17 1HH1 ARG 17 -6.497 -6.761 17.409 93 H ASP 18 HN ASP 18 -13.064 -11.038 13.294 94 HA ASP 18 HA ASP 18 -14.251 -8.895 14.690 95 1HB ASP 18 2HB ASP 18 -14.014 -9.641 12.041 96 2HB ASP 18 3HB ASP 18 -15.685 -10.069 12.350 97 H SER 19 HN SER 19 -14.555 -12.245 14.943 98 HA SER 19 HA SER 19 -17.344 -12.522 15.005 99 1HB SER 19 2HB SER 19 -16.906 -14.738 15.440 100 2HB SER 19 3HB SER 19 -15.309 -14.279 14.884 101 HG SER 19 HG SER 19 -14.610 -14.050 17.060 102 H ALA 20 HN ALA 20 -14.793 -12.174 17.569 103 HA ALA 20 HA ALA 20 -14.978 -11.021 19.507 104 1HB ALA 20 1HB ALA 20 -17.992 -11.161 19.465 105 2HB ALA 20 2HB ALA 20 -16.929 -9.921 20.172 106 3HB ALA 20 3HB ALA 20 -17.142 -10.009 18.408 107 H GLY 21 HN GLY 21 -14.548 -13.772 19.151 108 1HA GLY 21 1HA GLY 21 -14.580 -15.731 20.252 109 2HA GLY 21 2HA GLY 21 -14.936 -14.792 21.688 110 H GLY 22 HN GLY 22 -16.764 -15.623 18.647 111 1HA GLY 22 1HA GLY 22 -18.697 -17.161 20.125 112 2HA GLY 22 2HA GLY 22 -19.300 -15.594 19.621 113 H ARG 23 HN ARG 23 -19.071 -15.008 17.245 114 HA ARG 23 HA ARG 23 -18.553 -17.137 15.463 115 1HB ARG 23 2HB ARG 23 -20.826 -17.308 14.492 116 2HB ARG 23 3HB ARG 23 -20.859 -17.758 16.186 117 1HG ARG 23 2HG ARG 23 -22.418 -16.163 16.575 118 2HG ARG 23 3HG ARG 23 -21.267 -14.927 16.107 119 1HD ARG 23 2HD ARG 23 -22.119 -14.741 13.947 120 2HD ARG 23 3HD ARG 23 -22.584 -16.428 13.864 121 HE ARG 23 HE ARG 23 -24.193 -14.218 14.946 122 1HH1 ARG 23 2HH2 ARG 23 -23.751 -17.707 14.826 123 2HH1 ARG 23 1HH2 ARG 23 -25.389 -18.058 15.266 124 1HH2 ARG 23 2HH1 ARG 23 -26.354 -14.681 15.526 125 2HH2 ARG 23 1HH1 ARG 23 -26.880 -16.325 15.666 126 H LEU 24 HN LEU 24 -18.883 -16.377 13.120 127 HA LEU 24 HA LEU 24 -19.449 -13.611 12.714 128 1HB LEU 24 2HB LEU 24 -17.441 -12.773 13.040 129 2HB LEU 24 3HB LEU 24 -16.768 -14.358 13.362 130 HG LEU 24 HG LEU 24 -17.178 -13.407 10.532 131 1HD1 LEU 24 1HD1 LEU 24 -14.614 -12.835 10.782 132 2HD1 LEU 24 2HD1 LEU 24 -15.873 -11.639 11.170 133 3HD1 LEU 24 3HD1 LEU 24 -15.076 -12.547 12.477 134 1HD2 LEU 24 1HD2 LEU 24 -16.345 -15.819 11.620 135 2HD2 LEU 24 2HD2 LEU 24 -16.120 -15.275 9.940 136 3HD2 LEU 24 3HD2 LEU 24 -14.829 -15.020 11.138 137 H THR 25 HN THR 25 -19.316 -13.058 10.358 138 HA THR 25 HA THR 25 -19.757 -15.505 8.787 139 HB THR 25 HB THR 25 -21.376 -14.248 7.587 140 HG1 THR 25 HG1 THR 25 -20.875 -12.120 7.163 141 1HG2 THR 25 1HG2 THR 25 -22.840 -13.370 9.188 142 2HG2 THR 25 2HG2 THR 25 -21.750 -14.272 10.267 143 3HG2 THR 25 3HG2 THR 25 -21.539 -12.518 10.053 144 H LEU 26 HN LEU 26 -17.929 -16.139 7.799 145 HA LEU 26 HA LEU 26 -15.748 -14.620 7.251 146 1HB LEU 26 2HB LEU 26 -16.784 -17.199 6.533 147 2HB LEU 26 3HB LEU 26 -16.011 -16.477 5.136 148 HG LEU 26 HG LEU 26 -14.464 -17.882 6.396 149 1HD1 LEU 26 1HD1 LEU 26 -12.732 -15.976 6.931 150 2HD1 LEU 26 2HD1 LEU 26 -13.251 -16.302 5.259 151 3HD1 LEU 26 3HD1 LEU 26 -13.959 -14.941 6.161 152 1HD2 LEU 26 1HD2 LEU 26 -13.931 -17.655 8.628 153 2HD2 LEU 26 2HD2 LEU 26 -14.481 -15.964 8.704 154 3HD2 LEU 26 3HD2 LEU 26 -15.672 -17.285 8.633 155 H ALA 27 HN ALA 27 -18.865 -14.687 5.577 156 HA ALA 27 HA ALA 27 -18.157 -13.665 3.126 157 1HB ALA 27 1HB ALA 27 -20.379 -14.178 3.165 158 2HB ALA 27 2HB ALA 27 -20.562 -13.715 4.874 159 3HB ALA 27 3HB ALA 27 -20.556 -12.463 3.609 160 H GLU 28 HN GLU 28 -18.765 -11.955 6.254 161 HA GLU 28 HA GLU 28 -18.381 -9.418 5.106 162 1HB GLU 28 2HB GLU 28 -19.028 -10.545 7.715 163 2HB GLU 28 3HB GLU 28 -17.844 -9.265 7.894 164 1HG GLU 28 2HG GLU 28 -19.351 -7.640 7.348 165 2HG GLU 28 3HG GLU 28 -19.954 -8.538 5.970 166 H ILE 29 HN ILE 29 -16.259 -11.929 6.392 167 HA ILE 29 HA ILE 29 -14.060 -10.322 7.033 168 HB ILE 29 HB ILE 29 -14.673 -13.159 6.682 169 1HG1 ILE 29 2HG1 ILE 29 -12.702 -11.781 8.522 170 2HG1 ILE 29 3HG1 ILE 29 -14.424 -11.852 8.839 171 1HG2 ILE 29 1HG2 ILE 29 -12.989 -13.404 5.130 172 2HG2 ILE 29 2HG2 ILE 29 -12.018 -12.074 5.806 173 3HG2 ILE 29 3HG2 ILE 29 -12.102 -13.636 6.655 174 1HD1 ILE 29 1HD1 ILE 29 -12.691 -13.744 9.719 175 2HD1 ILE 29 2HD1 ILE 29 -14.391 -14.107 9.333 176 3HD1 ILE 29 3HD1 ILE 29 -13.114 -14.454 8.143 177 H ASN 30 HN ASN 30 -14.736 -12.279 4.041 178 HA ASN 30 HA ASN 30 -12.556 -11.229 2.680 179 1HB ASN 30 2HB ASN 30 -15.103 -12.675 1.885 180 2HB ASN 30 3HB ASN 30 -14.096 -11.999 0.621 181 1HD2 ASN 30 1HD2 ASN 30 -14.544 -14.679 0.776 182 2HD2 ASN 30 2HD2 ASN 30 -13.101 -15.531 1.216 183 H GLU 31 HN GLU 31 -15.898 -10.156 3.244 184 HA GLU 31 HA GLU 31 -16.229 -8.477 1.098 185 1HB GLU 31 2HB GLU 31 -18.048 -9.094 2.636 186 2HB GLU 31 3HB GLU 31 -17.276 -8.231 3.951 187 1HG GLU 31 2HG GLU 31 -17.578 -6.084 2.821 188 2HG GLU 31 3HG GLU 31 -18.123 -6.873 1.353 189 H TYR 32 HN TYR 32 -14.847 -7.804 4.384 190 HA TYR 32 HA TYR 32 -14.191 -5.107 3.647 191 1HB TYR 32 2HB TYR 32 -13.797 -4.999 5.972 192 2HB TYR 32 3HB TYR 32 -14.746 -6.472 5.963 193 HD1 TYR 32 HD1 TYR 32 -11.178 -5.367 5.583 194 HD2 TYR 32 HD2 TYR 32 -13.882 -8.353 7.023 195 HE1 TYR 32 HE1 TYR 32 -9.236 -6.632 6.628 196 HE2 TYR 32 HE2 TYR 32 -11.932 -9.608 8.063 197 HH TYR 32 HH TYR 32 -9.492 -8.738 8.936 198 H LEU 33 HN LEU 33 -12.674 -8.284 3.503 199 HA LEU 33 HA LEU 33 -10.000 -7.435 3.591 200 1HB LEU 33 2HB LEU 33 -11.389 -9.831 3.462 201 2HB LEU 33 3HB LEU 33 -10.529 -9.776 1.936 202 HG LEU 33 HG LEU 33 -8.399 -9.442 3.149 203 1HD1 LEU 33 1HD1 LEU 33 -10.128 -9.726 5.619 204 2HD1 LEU 33 2HD1 LEU 33 -8.353 -9.853 5.609 205 3HD1 LEU 33 3HD1 LEU 33 -9.138 -8.327 5.139 206 1HD2 LEU 33 1HD2 LEU 33 -9.849 -11.780 2.821 207 2HD2 LEU 33 2HD2 LEU 33 -8.115 -11.651 3.198 208 3HD2 LEU 33 3HD2 LEU 33 -9.298 -11.859 4.512 209 H MET 34 HN MET 34 -12.244 -8.111 0.819 210 HA MET 34 HA MET 34 -10.323 -7.224 -1.050 211 1HB MET 34 2HB MET 34 -13.289 -7.927 -1.103 212 2HB MET 34 3HB MET 34 -12.541 -7.235 -2.528 213 1HG MET 34 2HG MET 34 -11.393 -9.163 -3.019 214 2HG MET 34 3HG MET 34 -10.960 -9.450 -1.346 215 1HE MET 34 1HE MET 34 -13.294 -9.499 -4.069 216 2HE MET 34 2HE MET 34 -14.010 -11.124 -3.956 217 3HE MET 34 3HE MET 34 -14.875 -9.722 -3.282 218 H GLY 35 HN GLY 35 -12.933 -5.720 0.827 219 1HA GLY 35 1HA GLY 35 -13.070 -3.344 -0.799 220 2HA GLY 35 2HA GLY 35 -13.851 -3.640 0.742 221 H LYS 36 HN LYS 36 -10.983 -4.590 1.717 222 HA LYS 36 HA LYS 36 -10.126 -1.870 2.387 223 1HB LYS 36 2HB LYS 36 -10.825 -3.402 4.236 224 2HB LYS 36 3HB LYS 36 -9.508 -4.475 3.810 225 1HG LYS 36 2HG LYS 36 -8.096 -2.164 3.985 226 2HG LYS 36 3HG LYS 36 -9.407 -1.747 5.071 227 1HD LYS 36 2HD LYS 36 -8.866 -4.257 5.992 228 2HD LYS 36 3HD LYS 36 -7.280 -3.844 5.370 229 1HE LYS 36 2HE LYS 36 -6.930 -2.733 7.324 230 2HE LYS 36 3HE LYS 36 -8.039 -1.514 6.730 231 1HZ LYS 36 1HZ LYS 36 -8.522 -3.647 8.619 232 2HZ LYS 36 2HZ LYS 36 -9.073 -2.110 8.622 233 3HZ LYS 36 3HZ LYS 36 -9.767 -3.224 7.650 234 H PHE 37 HN PHE 37 -8.902 -5.138 1.411 235 HA PHE 37 HA PHE 37 -6.392 -3.862 0.651 236 1HB PHE 37 2HB PHE 37 -7.359 -6.781 0.797 237 2HB PHE 37 3HB PHE 37 -5.709 -6.311 0.439 238 HD1 PHE 37 HD1 PHE 37 -7.853 -7.376 2.967 239 HD2 PHE 37 HD2 PHE 37 -4.635 -4.696 2.280 240 HE1 PHE 37 HE1 PHE 37 -7.315 -7.392 5.419 241 HE2 PHE 37 HE2 PHE 37 -4.097 -4.713 4.732 242 HZ PHE 37 HZ PHE 37 -5.444 -6.060 6.272 243 HA PRO 38 HA PRO 38 -8.003 -4.030 -3.450 244 1HB PRO 38 2HB PRO 38 -6.202 -2.303 -4.566 245 2HB PRO 38 3HB PRO 38 -7.694 -1.777 -3.813 246 1HG PRO 38 2HG PRO 38 -4.932 -1.603 -2.774 247 2HG PRO 38 3HG PRO 38 -6.357 -0.725 -2.255 248 1HD PRO 38 2HD PRO 38 -5.131 -2.948 -0.921 249 2HD PRO 38 3HD PRO 38 -6.620 -2.144 -0.466 250 H PHE 39 HN PHE 39 -4.607 -4.332 -2.635 251 HA PHE 39 HA PHE 39 -3.728 -5.461 -4.967 252 1HB PHE 39 2HB PHE 39 -2.222 -4.867 -3.136 253 2HB PHE 39 3HB PHE 39 -3.116 -5.847 -1.991 254 HD1 PHE 39 HD1 PHE 39 -1.284 -6.324 -5.218 255 HD2 PHE 39 HD2 PHE 39 -2.126 -7.814 -1.335 256 HE1 PHE 39 HE1 PHE 39 0.307 -8.227 -5.603 257 HE2 PHE 39 HE2 PHE 39 -0.535 -9.717 -1.719 258 HZ PHE 39 HZ PHE 39 0.663 -9.900 -3.849 259 H PHE 40 HN PHE 40 -5.568 -6.943 -2.270 260 HA PHE 40 HA PHE 40 -5.190 -9.599 -3.203 261 1HB PHE 40 2HB PHE 40 -6.083 -8.275 -0.907 262 2HB PHE 40 3HB PHE 40 -7.604 -8.820 -1.585 263 HD1 PHE 40 HD1 PHE 40 -8.256 -10.500 -0.098 264 HD2 PHE 40 HD2 PHE 40 -4.323 -10.564 -1.690 265 HE1 PHE 40 HE1 PHE 40 -7.888 -12.773 0.903 266 HE2 PHE 40 HE2 PHE 40 -3.955 -12.836 -0.689 267 HZ PHE 40 HZ PHE 40 -5.742 -13.913 0.595 268 H ARG 41 HN ARG 41 -7.636 -7.019 -3.678 269 HA ARG 41 HA ARG 41 -9.414 -8.811 -4.977 270 1HB ARG 41 2HB ARG 41 -9.948 -6.587 -3.672 271 2HB ARG 41 3HB ARG 41 -9.520 -5.773 -5.164 272 1HG ARG 41 2HG ARG 41 -11.214 -7.282 -6.361 273 2HG ARG 41 3HG ARG 41 -11.727 -7.846 -4.783 274 1HD ARG 41 2HD ARG 41 -11.846 -5.144 -4.355 275 2HD ARG 41 3HD ARG 41 -12.159 -5.177 -6.079 276 HE ARG 41 HE ARG 41 -13.977 -6.019 -4.007 277 1HH1 ARG 41 2HH2 ARG 41 -12.950 -6.845 -7.270 278 2HH1 ARG 41 1HH2 ARG 41 -14.460 -7.578 -7.697 279 1HH2 ARG 41 2HH1 ARG 41 -15.970 -6.986 -4.571 280 2HH2 ARG 41 1HH1 ARG 41 -16.189 -7.659 -6.152 281 H GLY 42 HN GLY 42 -6.457 -7.688 -5.874 282 1HA GLY 42 1HA GLY 42 -7.227 -7.433 -8.721 283 2HA GLY 42 2HA GLY 42 -5.966 -6.466 -7.982 284 H SER 43 HN SER 43 -6.753 -9.972 -7.503 285 HA SER 43 HA SER 43 -4.412 -10.689 -8.990 286 1HB SER 43 2HB SER 43 -4.643 -11.252 -6.001 287 2HB SER 43 3HB SER 43 -3.485 -12.042 -7.053 288 HG SER 43 HG SER 43 -3.283 -9.619 -5.842 289 H TYR 44 HN TYR 44 -6.315 -12.270 -6.323 290 HA TYR 44 HA TYR 44 -8.020 -13.683 -8.055 291 1HB TYR 44 2HB TYR 44 -6.902 -15.865 -7.964 292 2HB TYR 44 3HB TYR 44 -5.669 -14.724 -8.461 293 HD1 TYR 44 HD1 TYR 44 -4.546 -13.516 -6.205 294 HD2 TYR 44 HD2 TYR 44 -6.149 -17.473 -6.485 295 HE1 TYR 44 HE1 TYR 44 -3.088 -14.252 -4.256 296 HE2 TYR 44 HE2 TYR 44 -4.686 -18.196 -4.535 297 HH TYR 44 HH TYR 44 -3.280 -16.108 -2.468 298 H THR 45 HN THR 45 -9.787 -13.799 -6.768 299 HA THR 45 HA THR 45 -9.410 -13.970 -3.893 300 HB THR 45 HB THR 45 -11.874 -13.500 -3.914 301 HG1 THR 45 HG1 THR 45 -12.740 -14.316 -5.791 302 1HG2 THR 45 1HG2 THR 45 -11.485 -11.288 -4.341 303 2HG2 THR 45 2HG2 THR 45 -9.864 -11.748 -4.915 304 3HG2 THR 45 3HG2 THR 45 -11.216 -11.629 -6.067 305 H GLY 46 HN GLY 46 -8.353 -16.241 -4.873 306 1HA GLY 46 1HA GLY 46 -10.462 -18.235 -4.299 307 2HA GLY 46 2HA GLY 46 -9.246 -18.470 -5.538 308 H TRP 47 HN TRP 47 -8.800 -16.937 -2.297 309 HA TRP 47 HA TRP 47 -6.880 -19.081 -1.705 310 1HB TRP 47 2HB TRP 47 -6.261 -17.103 0.039 311 2HB TRP 47 3HB TRP 47 -5.482 -17.365 -1.509 312 HD1 TRP 47 HD1 TRP 47 -5.251 -15.103 -2.775 313 HE1 TRP 47 HE1 TRP 47 -6.602 -12.860 -3.101 314 HE3 TRP 47 HE3 TRP 47 -9.144 -16.396 0.230 315 HZ2 TRP 47 HZ2 TRP 47 -9.092 -11.900 -2.089 316 HZ3 TRP 47 HZ3 TRP 47 -10.994 -14.748 0.507 317 HH2 TRP 47 HH2 TRP 47 -11.010 -12.566 -0.594 318 H ARG 48 HN ARG 48 -10.023 -18.498 -1.309 319 HA ARG 48 HA ARG 48 -10.482 -18.225 1.363 320 1HB ARG 48 2HB ARG 48 -12.137 -18.332 -0.663 321 2HB ARG 48 3HB ARG 48 -12.129 -20.068 -0.423 322 1HG ARG 48 2HG ARG 48 -12.631 -18.287 1.967 323 2HG ARG 48 3HG ARG 48 -13.925 -18.513 0.808 324 1HD ARG 48 2HD ARG 48 -12.890 -21.119 1.247 325 2HD ARG 48 3HD ARG 48 -12.915 -20.376 2.834 326 HE ARG 48 HE ARG 48 -15.238 -20.539 2.800 327 1HH1 ARG 48 2HH2 ARG 48 -14.079 -20.474 -0.522 328 2HH1 ARG 48 1HH2 ARG 48 -15.654 -20.695 -1.210 329 1HH2 ARG 48 2HH1 ARG 48 -17.315 -20.830 1.893 330 2HH2 ARG 48 1HH1 ARG 48 -17.506 -20.899 0.173 331 H ASN 49 HN ASN 49 -9.183 -20.937 -0.456 332 HA ASN 49 HA ASN 49 -9.906 -22.910 1.432 333 1HB ASN 49 2HB ASN 49 -7.782 -22.876 -0.777 334 2HB ASN 49 3HB ASN 49 -8.211 -24.309 0.136 335 1HD2 ASN 49 1HD2 ASN 49 -8.502 -24.691 -2.365 336 2HD2 ASN 49 2HD2 ASN 49 -10.133 -24.586 -2.937 337 H SER 50 HN SER 50 -6.835 -21.193 0.479 338 HA SER 50 HA SER 50 -5.328 -22.353 2.530 339 1HB SER 50 2HB SER 50 -3.596 -20.750 1.882 340 2HB SER 50 3HB SER 50 -4.359 -21.397 0.443 341 HG SER 50 HG SER 50 -5.833 -19.342 0.791 342 H VAL 51 HN VAL 51 -7.325 -19.403 2.225 343 HA VAL 51 HA VAL 51 -6.362 -18.122 4.540 344 HB VAL 51 HB VAL 51 -8.704 -17.892 2.710 345 1HG1 VAL 51 1HG1 VAL 51 -10.076 -17.314 4.401 346 2HG1 VAL 51 2HG1 VAL 51 -8.733 -17.104 5.552 347 3HG1 VAL 51 3HG1 VAL 51 -9.148 -15.795 4.419 348 1HG2 VAL 51 1HG2 VAL 51 -6.183 -16.603 3.100 349 2HG2 VAL 51 2HG2 VAL 51 -7.409 -16.298 1.846 350 3HG2 VAL 51 3HG2 VAL 51 -7.470 -15.407 3.386 351 H ARG 52 HN ARG 52 -9.331 -20.125 3.918 352 HA ARG 52 HA ARG 52 -10.253 -20.070 6.479 353 1HB ARG 52 2HB ARG 52 -11.607 -20.959 4.650 354 2HB ARG 52 3HB ARG 52 -10.448 -22.234 4.332 355 1HG ARG 52 2HG ARG 52 -11.418 -22.211 7.134 356 2HG ARG 52 3HG ARG 52 -12.697 -22.463 5.964 357 1HD ARG 52 2HD ARG 52 -10.111 -24.086 6.134 358 2HD ARG 52 3HD ARG 52 -11.685 -24.624 6.685 359 HE ARG 52 HE ARG 52 -11.645 -23.781 3.871 360 1HH1 ARG 52 2HH2 ARG 52 -11.200 -26.466 6.102 361 2HH1 ARG 52 1HH2 ARG 52 -11.496 -27.679 4.902 362 1HH2 ARG 52 2HH1 ARG 52 -12.036 -25.381 2.287 363 2HH2 ARG 52 1HH1 ARG 52 -11.974 -27.057 2.717 364 H HIS 53 HN HIS 53 -7.819 -22.214 4.917 365 HA HIS 53 HA HIS 53 -7.612 -24.067 6.978 366 1HB HIS 53 2HB HIS 53 -6.411 -23.567 4.474 367 2HB HIS 53 3HB HIS 53 -5.091 -23.623 5.626 368 HD1 HIS 53 HD1 HIS 53 -5.336 -25.869 7.362 369 HD2 HIS 53 HD2 HIS 53 -7.066 -26.042 3.544 370 HE1 HIS 53 HE1 HIS 53 -5.665 -28.344 6.837 371 H ASN 54 HN ASN 54 -5.585 -21.137 6.250 372 HA ASN 54 HA ASN 54 -4.058 -21.389 8.547 373 1HB ASN 54 2HB ASN 54 -4.535 -19.355 6.434 374 2HB ASN 54 3HB ASN 54 -4.104 -18.641 7.975 375 1HD2 ASN 54 1HD2 ASN 54 -2.293 -19.921 9.146 376 2HD2 ASN 54 2HD2 ASN 54 -0.890 -20.287 8.199 377 H LEU 55 HN LEU 55 -7.346 -20.419 8.003 378 HA LEU 55 HA LEU 55 -7.576 -18.524 10.103 379 1HB LEU 55 2HB LEU 55 -9.114 -19.401 7.961 380 2HB LEU 55 3HB LEU 55 -10.016 -19.930 9.367 381 HG LEU 55 HG LEU 55 -9.147 -17.095 8.744 382 1HD1 LEU 55 1HD1 LEU 55 -12.003 -17.760 9.112 383 2HD1 LEU 55 2HD1 LEU 55 -11.207 -16.686 7.937 384 3HD1 LEU 55 3HD1 LEU 55 -11.234 -18.445 7.660 385 1HD2 LEU 55 1HD2 LEU 55 -9.427 -18.135 11.268 386 2HD2 LEU 55 2HD2 LEU 55 -9.634 -16.425 10.822 387 3HD2 LEU 55 3HD2 LEU 55 -11.054 -17.492 10.941 388 H SER 56 HN SER 56 -8.516 -22.017 9.758 389 HA SER 56 HA SER 56 -9.102 -22.126 12.542 390 1HB SER 56 2HB SER 56 -10.452 -23.475 11.062 391 2HB SER 56 3HB SER 56 -9.041 -24.200 10.318 392 HG SER 56 HG SER 56 -9.775 -25.728 11.773 393 H LEU 57 HN LEU 57 -6.331 -22.574 10.459 394 HA LEU 57 HA LEU 57 -4.956 -24.347 12.253 395 1HB LEU 57 2HB LEU 57 -4.758 -24.243 9.716 396 2HB LEU 57 3HB LEU 57 -3.804 -22.791 9.945 397 HG LEU 57 HG LEU 57 -2.445 -24.416 11.594 398 1HD1 LEU 57 1HD1 LEU 57 -3.251 -26.353 9.430 399 2HD1 LEU 57 2HD1 LEU 57 -2.367 -26.659 10.944 400 3HD1 LEU 57 3HD1 LEU 57 -4.106 -26.279 10.990 401 1HD2 LEU 57 1HD2 LEU 57 -1.214 -23.297 9.996 402 2HD2 LEU 57 2HD2 LEU 57 -1.040 -24.988 9.469 403 3HD2 LEU 57 3HD2 LEU 57 -2.196 -23.914 8.646 404 H ASN 58 HN ASN 58 -5.911 -21.206 12.553 405 HA ASN 58 HA ASN 58 -3.464 -20.551 13.999 406 1HB ASN 58 2HB ASN 58 -3.856 -19.053 12.015 407 2HB ASN 58 3HB ASN 58 -5.437 -18.635 12.645 408 1HD2 ASN 58 1HD2 ASN 58 -3.488 -16.759 12.080 409 2HD2 ASN 58 2HD2 ASN 58 -2.951 -15.990 13.536 410 H ASP 59 HN ASP 59 -7.030 -19.855 13.672 411 HA ASP 59 HA ASP 59 -7.196 -19.038 16.382 412 1HB ASP 59 2HB ASP 59 -8.805 -18.886 14.015 413 2HB ASP 59 3HB ASP 59 -9.768 -19.732 15.210 414 H CYS 60 HN CYS 60 -8.377 -21.815 14.347 415 HA CYS 60 HA CYS 60 -8.716 -23.937 14.855 416 1HB CYS 60 2HB CYS 60 -7.891 -23.374 17.720 417 2HB CYS 60 3HB CYS 60 -8.019 -24.942 16.949 418 HG CYS 60 HG CYS 60 -6.129 -22.425 15.915 419 H PHE 61 HN PHE 61 -10.946 -22.896 14.409 420 HA PHE 61 HA PHE 61 -12.603 -23.235 16.806 421 1HB PHE 61 2HB PHE 61 -14.068 -21.461 15.527 422 2HB PHE 61 3HB PHE 61 -12.621 -20.871 16.318 423 HD1 PHE 61 HD1 PHE 61 -11.656 -19.189 15.083 424 HD2 PHE 61 HD2 PHE 61 -13.235 -22.554 13.035 425 HE1 PHE 61 HE1 PHE 61 -10.852 -18.240 12.903 426 HE2 PHE 61 HE2 PHE 61 -12.431 -21.604 10.855 427 HZ PHE 61 HZ PHE 61 -11.249 -19.459 10.815 428 H VAL 62 HN VAL 62 -15.111 -22.945 15.513 429 HA VAL 62 HA VAL 62 -15.033 -25.217 13.648 430 HB VAL 62 HB VAL 62 -17.046 -24.519 15.793 431 1HG1 VAL 62 1HG1 VAL 62 -17.129 -26.715 13.696 432 2HG1 VAL 62 2HG1 VAL 62 -18.231 -26.582 15.088 433 3HG1 VAL 62 3HG1 VAL 62 -18.232 -25.324 13.829 434 1HG2 VAL 62 1HG2 VAL 62 -16.218 -26.238 17.047 435 2HG2 VAL 62 2HG2 VAL 62 -15.700 -27.177 15.627 436 3HG2 VAL 62 3HG2 VAL 62 -14.725 -25.796 16.184 437 H LYS 63 HN LYS 63 -16.662 -25.198 11.944 438 HA LYS 63 HA LYS 63 -17.688 -22.489 11.450 439 1HB LYS 63 2HB LYS 63 -16.086 -22.570 9.827 440 2HB LYS 63 3HB LYS 63 -16.093 -24.319 9.731 441 1HG LYS 63 2HG LYS 63 -18.241 -24.290 8.512 442 2HG LYS 63 3HG LYS 63 -18.365 -22.553 8.706 443 1HD LYS 63 2HD LYS 63 -17.526 -23.003 6.465 444 2HD LYS 63 3HD LYS 63 -16.229 -22.280 7.394 445 1HE LYS 63 2HE LYS 63 -14.920 -24.134 7.191 446 2HE LYS 63 3HE LYS 63 -16.217 -25.197 7.698 447 1HZ LYS 63 1HZ LYS 63 -16.936 -25.445 5.559 448 2HZ LYS 63 2HZ LYS 63 -16.289 -24.043 5.026 449 3HZ LYS 63 3HZ LYS 63 -15.325 -25.329 5.317 450 H VAL 64 HN VAL 64 -19.765 -22.340 10.439 451 HA VAL 64 HA VAL 64 -21.236 -24.882 10.434 452 HB VAL 64 HB VAL 64 -23.184 -23.549 11.267 453 1HG1 VAL 64 1HG1 VAL 64 -21.545 -23.201 13.578 454 2HG1 VAL 64 2HG1 VAL 64 -22.662 -24.533 13.196 455 3HG1 VAL 64 3HG1 VAL 64 -20.957 -24.630 12.695 456 1HG2 VAL 64 1HG2 VAL 64 -21.081 -21.477 11.976 457 2HG2 VAL 64 2HG2 VAL 64 -22.272 -21.310 10.664 458 3HG2 VAL 64 3HG2 VAL 64 -22.820 -21.416 12.354 459 H LEU 65 HN LEU 65 -20.387 -24.628 8.091 460 HA LEU 65 HA LEU 65 -21.775 -22.602 6.575 461 1HB LEU 65 2HB LEU 65 -20.227 -22.950 5.021 462 2HB LEU 65 3HB LEU 65 -19.363 -23.769 6.306 463 HG LEU 65 HG LEU 65 -19.271 -25.105 4.312 464 1HD1 LEU 65 1HD1 LEU 65 -20.532 -26.041 6.754 465 2HD1 LEU 65 2HD1 LEU 65 -21.006 -27.026 5.349 466 3HD1 LEU 65 3HD1 LEU 65 -19.284 -26.807 5.743 467 1HD2 LEU 65 1HD2 LEU 65 -21.737 -24.080 3.697 468 2HD2 LEU 65 2HD2 LEU 65 -20.931 -25.418 2.845 469 3HD2 LEU 65 3HD2 LEU 65 -22.127 -25.765 4.117 470 H ARG 66 HN ARG 66 -22.248 -25.892 7.659 471 HA ARG 66 HA ARG 66 -24.248 -26.284 5.606 472 1HB ARG 66 2HB ARG 66 -24.312 -28.643 6.455 473 2HB ARG 66 3HB ARG 66 -22.696 -28.163 5.975 474 1HG ARG 66 2HG ARG 66 -22.896 -27.401 8.701 475 2HG ARG 66 3HG ARG 66 -23.679 -28.967 8.617 476 1HD ARG 66 2HD ARG 66 -21.494 -29.528 7.099 477 2HD ARG 66 3HD ARG 66 -20.809 -28.245 8.077 478 HE ARG 66 HE ARG 66 -22.131 -29.907 9.905 479 1HH1 ARG 66 2HH2 ARG 66 -19.559 -30.297 7.535 480 2HH1 ARG 66 1HH2 ARG 66 -18.775 -31.572 8.407 481 1HH2 ARG 66 2HH1 ARG 66 -21.096 -31.589 11.056 482 2HH2 ARG 66 1HH1 ARG 66 -19.654 -32.311 10.423 483 H ASP 67 HN ASP 67 -25.414 -24.407 6.870 484 HA ASP 67 HA ASP 67 -27.554 -25.504 8.200 485 1HB ASP 67 2HB ASP 67 -25.592 -25.585 9.986 486 2HB ASP 67 3HB ASP 67 -25.886 -23.864 10.129 487 HA PRO 68 HA PRO 68 -27.846 -21.231 6.655 488 1HB PRO 68 2HB PRO 68 -29.977 -21.604 4.986 489 2HB PRO 68 3HB PRO 68 -28.311 -21.723 4.455 490 1HG PRO 68 2HG PRO 68 -30.255 -23.892 4.957 491 2HG PRO 68 3HG PRO 68 -28.763 -23.947 4.040 492 1HD PRO 68 2HD PRO 68 -29.191 -24.973 6.684 493 2HD PRO 68 3HD PRO 68 -27.671 -24.922 5.813 494 H SER 69 HN SER 69 -28.401 -21.479 9.143 495 HA SER 69 HA SER 69 -31.168 -21.468 9.636 496 1HB SER 69 2HB SER 69 -28.729 -20.721 11.286 497 2HB SER 69 3HB SER 69 -30.350 -20.538 11.926 498 HG SER 69 HG SER 69 -28.877 -22.896 11.365 499 H ARG 70 HN ARG 70 -28.595 -18.911 9.512 500 HA ARG 70 HA ARG 70 -30.552 -17.056 8.617 501 1HB ARG 70 2HB ARG 70 -30.052 -15.371 10.437 502 2HB ARG 70 3HB ARG 70 -30.913 -16.782 11.019 503 1HG ARG 70 2HG ARG 70 -27.918 -16.946 11.079 504 2HG ARG 70 3HG ARG 70 -28.650 -15.816 12.200 505 1HD ARG 70 2HD ARG 70 -29.433 -18.762 11.956 506 2HD ARG 70 3HD ARG 70 -28.354 -18.119 13.179 507 HE ARG 70 HE ARG 70 -30.889 -16.688 13.123 508 1HH1 ARG 70 2HH2 ARG 70 -29.308 -19.601 14.308 509 2HH1 ARG 70 1HH2 ARG 70 -30.407 -19.812 15.631 510 1HH2 ARG 70 2HH1 ARG 70 -32.338 -16.967 14.868 511 2HH2 ARG 70 1HH1 ARG 70 -32.142 -18.304 15.951 512 HA PRO 71 HA PRO 71 -26.195 -16.504 7.279 513 1HB PRO 71 2HB PRO 71 -26.492 -17.110 4.630 514 2HB PRO 71 3HB PRO 71 -25.955 -18.274 5.825 515 1HG PRO 71 2HG PRO 71 -28.595 -18.047 4.515 516 2HG PRO 71 3HG PRO 71 -27.906 -19.415 5.366 517 1HD PRO 71 2HD PRO 71 -29.902 -17.608 6.355 518 2HD PRO 71 3HD PRO 71 -29.128 -18.905 7.245 519 H TRP 72 HN TRP 72 -25.507 -15.277 4.972 520 HA TRP 72 HA TRP 72 -26.949 -12.774 5.349 521 1HB TRP 72 2HB TRP 72 -24.237 -13.567 4.564 522 2HB TRP 72 3HB TRP 72 -24.910 -12.294 3.566 523 HD1 TRP 72 HD1 TRP 72 -22.814 -12.479 6.454 524 HE1 TRP 72 HE1 TRP 72 -22.922 -10.399 8.075 525 HE3 TRP 72 HE3 TRP 72 -27.179 -10.617 4.627 526 HZ2 TRP 72 HZ2 TRP 72 -24.779 -8.257 8.404 527 HZ3 TRP 72 HZ3 TRP 72 -28.071 -8.528 5.654 528 HH2 TRP 72 HH2 TRP 72 -26.945 -7.355 7.480 529 H GLY 73 HN GLY 73 -28.166 -15.162 4.013 530 1HA GLY 73 1HA GLY 73 -29.775 -15.005 2.309 531 2HA GLY 73 2HA GLY 73 -28.765 -13.863 1.445 532 H LYS 74 HN LYS 74 -26.231 -15.253 1.637 533 HA LYS 74 HA LYS 74 -26.597 -17.911 0.663 534 1HB LYS 74 2HB LYS 74 -26.895 -15.890 -1.243 535 2HB LYS 74 3HB LYS 74 -25.241 -16.429 -1.451 536 1HG LYS 74 2HG LYS 74 -26.185 -18.848 -1.399 537 2HG LYS 74 3HG LYS 74 -27.771 -18.122 -1.564 538 1HD LYS 74 2HD LYS 74 -27.185 -17.111 -3.697 539 2HD LYS 74 3HD LYS 74 -25.490 -17.503 -3.490 540 1HE LYS 74 2HE LYS 74 -27.657 -19.646 -3.624 541 2HE LYS 74 3HE LYS 74 -26.835 -19.050 -5.053 542 1HZ LYS 74 1HZ LYS 74 -24.788 -19.585 -3.463 543 2HZ LYS 74 2HZ LYS 74 -25.836 -20.731 -2.958 544 3HZ LYS 74 3HZ LYS 74 -25.403 -20.656 -4.531 545 H ASP 75 HN ASP 75 -25.300 -17.012 2.916 546 HA ASP 75 HA ASP 75 -22.550 -17.472 2.113 547 1HB ASP 75 2HB ASP 75 -23.175 -15.626 4.430 548 2HB ASP 75 3HB ASP 75 -21.694 -15.747 3.501 549 H ASN 76 HN ASN 76 -21.468 -17.401 4.789 550 HA ASN 76 HA ASN 76 -23.195 -19.088 6.356 551 1HB ASN 76 2HB ASN 76 -21.152 -20.687 6.691 552 2HB ASN 76 3HB ASN 76 -22.068 -20.851 5.206 553 1HD2 ASN 76 1HD2 ASN 76 -21.214 -20.238 3.263 554 2HD2 ASN 76 2HD2 ASN 76 -19.547 -19.833 3.019 555 H TYR 77 HN TYR 77 -22.009 -19.538 8.583 556 HA TYR 77 HA TYR 77 -20.142 -17.345 9.170 557 1HB TYR 77 2HB TYR 77 -21.510 -17.504 11.467 558 2HB TYR 77 3HB TYR 77 -22.216 -16.618 10.130 559 HD1 TYR 77 HD1 TYR 77 -22.814 -19.092 12.552 560 HD2 TYR 77 HD2 TYR 77 -23.717 -18.105 8.489 561 HE1 TYR 77 HE1 TYR 77 -24.868 -20.588 12.637 562 HE2 TYR 77 HE2 TYR 77 -25.768 -19.604 8.587 563 HH TYR 77 HH TYR 77 -26.745 -21.124 11.616 564 H TRP 78 HN TRP 78 -18.693 -17.739 10.979 565 HA TRP 78 HA TRP 78 -18.389 -20.617 11.503 566 1HB TRP 78 2HB TRP 78 -16.249 -18.481 11.479 567 2HB TRP 78 3HB TRP 78 -16.013 -20.194 11.766 568 HD1 TRP 78 HD1 TRP 78 -18.463 -19.760 8.984 569 HE1 TRP 78 HE1 TRP 78 -17.398 -20.138 6.600 570 HE3 TRP 78 HE3 TRP 78 -13.626 -19.645 10.548 571 HZ2 TRP 78 HZ2 TRP 78 -14.712 -20.343 5.657 572 HZ3 TRP 78 HZ3 TRP 78 -11.843 -19.942 8.831 573 HH2 TRP 78 HH2 TRP 78 -12.322 -20.282 6.459 574 H MET 79 HN MET 79 -17.690 -21.183 13.710 575 HA MET 79 HA MET 79 -18.409 -19.078 15.603 576 1HB MET 79 2HB MET 79 -19.099 -21.108 17.079 577 2HB MET 79 3HB MET 79 -20.138 -20.759 15.712 578 1HG MET 79 2HG MET 79 -19.452 -22.645 14.520 579 2HG MET 79 3HG MET 79 -17.841 -22.634 15.209 580 1HE MET 79 1HE MET 79 -18.671 -23.316 18.883 581 2HE MET 79 2HE MET 79 -17.492 -24.276 17.957 582 3HE MET 79 3HE MET 79 -17.622 -22.522 17.684 583 H LEU 80 HN LEU 80 -16.547 -18.351 16.551 584 HA LEU 80 HA LEU 80 -14.604 -20.410 17.342 585 1HB LEU 80 2HB LEU 80 -12.894 -18.596 17.106 586 2HB LEU 80 3HB LEU 80 -13.577 -19.218 15.616 587 HG LEU 80 HG LEU 80 -14.809 -16.765 16.805 588 1HD1 LEU 80 1HD1 LEU 80 -12.024 -16.946 15.753 589 2HD1 LEU 80 2HD1 LEU 80 -13.013 -15.546 15.274 590 3HD1 LEU 80 3HD1 LEU 80 -12.719 -15.880 16.997 591 1HD2 LEU 80 1HD2 LEU 80 -15.028 -16.176 14.390 592 2HD2 LEU 80 2HD2 LEU 80 -14.304 -17.752 13.987 593 3HD2 LEU 80 3HD2 LEU 80 -15.857 -17.682 14.854 594 H ASN 81 HN ASN 81 -13.930 -20.416 19.468 595 HA ASN 81 HA ASN 81 -14.686 -18.140 21.075 596 1HB ASN 81 2HB ASN 81 -16.608 -19.555 21.445 597 2HB ASN 81 3HB ASN 81 -15.630 -21.008 21.505 598 1HD2 ASN 81 1HD2 ASN 81 -15.278 -21.815 23.417 599 2HD2 ASN 81 2HD2 ASN 81 -15.245 -20.972 24.930 600 HA PRO 82 HA PRO 82 -10.622 -19.667 22.221 601 1HB PRO 82 2HB PRO 82 -9.568 -17.257 22.962 602 2HB PRO 82 3HB PRO 82 -9.481 -17.878 21.326 603 1HG PRO 82 2HG PRO 82 -11.217 -15.745 22.409 604 2HG PRO 82 3HG PRO 82 -10.808 -16.086 20.739 605 1HD PRO 82 2HD PRO 82 -13.274 -16.709 22.064 606 2HD PRO 82 3HD PRO 82 -12.821 -17.152 20.430 Start of MODEL 13 1 H TYR 8 HN TYR 8 8.878 -7.876 -3.791 2 HA TYR 8 HA TYR 8 7.782 -10.260 -2.638 3 1HB TYR 8 2HB TYR 8 6.959 -8.035 -4.156 4 2HB TYR 8 3HB TYR 8 7.002 -9.293 -5.375 5 HD1 TYR 8 HD1 TYR 8 4.778 -9.815 -5.851 6 HD2 TYR 8 HD2 TYR 8 6.002 -9.476 -1.766 7 HE1 TYR 8 HE1 TYR 8 2.490 -10.623 -5.091 8 HE2 TYR 8 HE2 TYR 8 3.710 -10.285 -1.020 9 HH TYR 8 HH TYR 8 1.299 -10.172 -2.173 10 H ILE 9 HN ILE 9 8.888 -9.442 -6.009 11 HA ILE 9 HA ILE 9 8.881 -11.987 -6.988 12 HB ILE 9 HB ILE 9 10.587 -11.151 -8.595 13 1HG1 ILE 9 2HG1 ILE 9 10.557 -8.385 -7.878 14 2HG1 ILE 9 3HG1 ILE 9 11.126 -9.291 -6.490 15 1HG2 ILE 9 1HG2 ILE 9 8.834 -8.897 -8.748 16 2HG2 ILE 9 2HG2 ILE 9 8.820 -10.401 -9.700 17 3HG2 ILE 9 3HG2 ILE 9 7.912 -10.306 -8.172 18 1HD1 ILE 9 1HD1 ILE 9 13.027 -8.719 -7.936 19 2HD1 ILE 9 2HD1 ILE 9 12.777 -10.481 -7.961 20 3HD1 ILE 9 3HD1 ILE 9 12.229 -9.485 -9.331 21 H ALA 10 HN ALA 10 11.194 -10.436 -4.783 22 HA ALA 10 HA ALA 10 13.215 -12.403 -5.110 23 1HB ALA 10 1HB ALA 10 12.936 -9.894 -3.897 24 2HB ALA 10 2HB ALA 10 13.179 -11.015 -2.536 25 3HB ALA 10 3HB ALA 10 14.376 -10.939 -3.851 26 H LEU 11 HN LEU 11 10.666 -11.776 -2.598 27 HA LEU 11 HA LEU 11 11.256 -13.965 -1.013 28 1HB LEU 11 2HB LEU 11 9.452 -13.354 0.170 29 2HB LEU 11 3HB LEU 11 9.629 -11.894 -0.783 30 HG LEU 11 HG LEU 11 7.958 -13.051 -2.425 31 1HD1 LEU 11 1HD1 LEU 11 6.304 -14.379 -0.792 32 2HD1 LEU 11 2HD1 LEU 11 7.567 -15.181 -1.757 33 3HD1 LEU 11 3HD1 LEU 11 7.856 -14.820 -0.038 34 1HD2 LEU 11 1HD2 LEU 11 6.652 -12.218 0.134 35 2HD2 LEU 11 2HD2 LEU 11 7.689 -11.055 -0.726 36 3HD2 LEU 11 3HD2 LEU 11 6.278 -11.765 -1.546 37 H ILE 12 HN ILE 12 9.391 -13.682 -4.049 38 HA ILE 12 HA ILE 12 8.339 -16.325 -3.860 39 HB ILE 12 HB ILE 12 8.261 -14.058 -5.744 40 1HG1 ILE 12 2HG1 ILE 12 5.848 -15.135 -5.889 41 2HG1 ILE 12 3HG1 ILE 12 6.355 -15.960 -4.428 42 1HG2 ILE 12 1HG2 ILE 12 7.470 -15.388 -7.626 43 2HG2 ILE 12 2HG2 ILE 12 9.149 -15.812 -7.212 44 3HG2 ILE 12 3HG2 ILE 12 7.815 -16.888 -6.732 45 1HD1 ILE 12 1HD1 ILE 12 5.251 -13.450 -4.463 46 2HD1 ILE 12 2HD1 ILE 12 6.317 -14.044 -3.168 47 3HD1 ILE 12 3HD1 ILE 12 6.985 -13.049 -4.484 48 H THR 13 HN THR 13 11.220 -14.753 -5.288 49 HA THR 13 HA THR 13 12.038 -16.927 -6.863 50 HB THR 13 HB THR 13 13.418 -14.529 -5.573 51 HG1 THR 13 HG1 THR 13 11.879 -14.323 -7.399 52 1HG2 THR 13 1HG2 THR 13 15.072 -15.223 -7.620 53 2HG2 THR 13 2HG2 THR 13 15.372 -15.748 -5.946 54 3HG2 THR 13 3HG2 THR 13 14.579 -16.851 -7.096 55 H MET 14 HN MET 14 12.767 -16.036 -3.441 56 HA MET 14 HA MET 14 14.458 -18.285 -3.146 57 1HB MET 14 2HB MET 14 14.494 -17.564 -0.758 58 2HB MET 14 3HB MET 14 14.685 -16.173 -1.807 59 1HG MET 14 2HG MET 14 12.329 -15.555 -1.538 60 2HG MET 14 3HG MET 14 11.981 -17.048 -0.688 61 1HE MET 14 1HE MET 14 10.825 -15.682 0.740 62 2HE MET 14 2HE MET 14 11.559 -16.165 2.288 63 3HE MET 14 3HE MET 14 11.434 -14.441 1.862 64 H ALA 15 HN ALA 15 11.005 -17.602 -2.724 65 HA ALA 15 HA ALA 15 10.457 -19.794 -1.019 66 1HB ALA 15 1HB ALA 15 8.774 -18.234 -0.923 67 2HB ALA 15 2HB ALA 15 8.938 -17.790 -2.639 68 3HB ALA 15 3HB ALA 15 8.083 -19.283 -2.183 69 H ILE 16 HN ILE 16 9.876 -19.245 -4.571 70 HA ILE 16 HA ILE 16 9.133 -21.909 -5.039 71 HB ILE 16 HB ILE 16 10.214 -19.848 -6.965 72 1HG1 ILE 16 2HG1 ILE 16 8.311 -19.014 -5.608 73 2HG1 ILE 16 3HG1 ILE 16 7.951 -19.134 -7.319 74 1HG2 ILE 16 1HG2 ILE 16 9.618 -21.179 -8.684 75 2HG2 ILE 16 2HG2 ILE 16 9.855 -22.474 -7.486 76 3HG2 ILE 16 3HG2 ILE 16 8.218 -21.860 -7.821 77 1HD1 ILE 16 1HD1 ILE 16 6.242 -20.562 -6.917 78 2HD1 ILE 16 2HD1 ILE 16 7.317 -21.659 -6.018 79 3HD1 ILE 16 3HD1 ILE 16 6.511 -20.314 -5.175 80 H ARG 17 HN ARG 17 12.258 -20.214 -4.885 81 HA ARG 17 HA ARG 17 13.826 -21.893 -6.280 82 1HB ARG 17 2HB ARG 17 14.163 -20.001 -4.051 83 2HB ARG 17 3HB ARG 17 15.328 -21.306 -3.948 84 1HG ARG 17 2HG ARG 17 15.142 -20.453 -6.713 85 2HG ARG 17 3HG ARG 17 15.369 -19.036 -5.707 86 1HD ARG 17 2HD ARG 17 17.337 -20.161 -4.604 87 2HD ARG 17 3HD ARG 17 17.124 -21.541 -5.663 88 HE ARG 17 HE ARG 17 17.292 -19.141 -7.244 89 1HH1 ARG 17 2HH2 ARG 17 19.294 -21.297 -5.315 90 2HH1 ARG 17 1HH2 ARG 17 20.747 -20.937 -6.187 91 1HH2 ARG 17 2HH1 ARG 17 19.208 -18.664 -8.395 92 2HH2 ARG 17 1HH1 ARG 17 20.697 -19.429 -7.950 93 H ASP 18 HN ASP 18 12.044 -22.541 -3.340 94 HA ASP 18 HA ASP 18 13.521 -24.354 -2.034 95 1HB ASP 18 2HB ASP 18 11.230 -23.599 -1.390 96 2HB ASP 18 3HB ASP 18 10.545 -24.541 -2.699 97 H SER 19 HN SER 19 11.865 -24.636 -5.179 98 HA SER 19 HA SER 19 12.314 -27.482 -5.245 99 1HB SER 19 2HB SER 19 11.004 -27.465 -7.283 100 2HB SER 19 3HB SER 19 10.181 -26.459 -6.106 101 HG SER 19 HG SER 19 10.326 -24.831 -7.475 102 H ALA 20 HN ALA 20 12.577 -27.138 -8.345 103 HA ALA 20 HA ALA 20 14.976 -25.777 -8.844 104 1HB ALA 20 1HB ALA 20 16.530 -27.224 -8.111 105 2HB ALA 20 2HB ALA 20 15.263 -28.347 -7.562 106 3HB ALA 20 3HB ALA 20 15.882 -28.449 -9.228 107 H GLY 21 HN GLY 21 12.283 -26.121 -9.910 108 1HA GLY 21 1HA GLY 21 11.536 -26.039 -12.074 109 2HA GLY 21 2HA GLY 21 13.019 -26.782 -12.637 110 H GLY 22 HN GLY 22 10.735 -27.914 -10.063 111 1HA GLY 22 1HA GLY 22 9.940 -30.151 -11.797 112 2HA GLY 22 2HA GLY 22 10.700 -30.498 -10.256 113 H ARG 23 HN ARG 23 9.695 -29.256 -8.283 114 HA ARG 23 HA ARG 23 6.986 -28.515 -8.611 115 1HB ARG 23 2HB ARG 23 6.001 -30.286 -7.191 116 2HB ARG 23 3HB ARG 23 6.757 -31.003 -8.599 117 1HG ARG 23 2HG ARG 23 7.648 -32.379 -6.952 118 2HG ARG 23 3HG ARG 23 8.893 -31.147 -6.997 119 1HD ARG 23 2HD ARG 23 7.023 -30.074 -5.203 120 2HD ARG 23 3HD ARG 23 6.968 -31.789 -4.844 121 HE ARG 23 HE ARG 23 9.712 -30.985 -5.085 122 1HH1 ARG 23 2HH2 ARG 23 6.956 -30.618 -2.929 123 2HH1 ARG 23 1HH2 ARG 23 7.930 -30.394 -1.514 124 1HH2 ARG 23 2HH1 ARG 23 10.998 -30.689 -3.220 125 2HH2 ARG 23 1HH1 ARG 23 10.245 -30.434 -1.681 126 H LEU 24 HN LEU 24 6.034 -27.789 -6.457 127 HA LEU 24 HA LEU 24 7.839 -27.663 -4.231 128 1HB LEU 24 2HB LEU 24 8.715 -25.667 -4.512 129 2HB LEU 24 3HB LEU 24 8.083 -25.669 -6.147 130 HG LEU 24 HG LEU 24 6.093 -24.827 -4.165 131 1HD1 LEU 24 1HD1 LEU 24 8.793 -23.616 -4.112 132 2HD1 LEU 24 2HD1 LEU 24 7.427 -22.478 -4.201 133 3HD1 LEU 24 3HD1 LEU 24 7.518 -23.656 -2.870 134 1HD2 LEU 24 1HD2 LEU 24 5.767 -23.000 -5.776 135 2HD2 LEU 24 2HD2 LEU 24 7.193 -23.555 -6.686 136 3HD2 LEU 24 3HD2 LEU 24 5.755 -24.597 -6.563 137 H THR 25 HN THR 25 6.748 -26.486 -2.354 138 HA THR 25 HA THR 25 3.832 -26.820 -2.618 139 HB THR 25 HB THR 25 3.844 -27.787 -0.438 140 HG1 THR 25 HG1 THR 25 5.953 -27.494 0.808 141 1HG2 THR 25 1HG2 THR 25 5.596 -28.913 -2.307 142 2HG2 THR 25 2HG2 THR 25 6.629 -28.709 -0.872 143 3HG2 THR 25 3HG2 THR 25 5.131 -29.665 -0.762 144 H LEU 26 HN LEU 26 2.816 -24.923 -2.739 145 HA LEU 26 HA LEU 26 4.028 -22.519 -1.958 146 1HB LEU 26 2HB LEU 26 1.463 -23.427 -3.059 147 2HB LEU 26 3HB LEU 26 1.337 -21.991 -2.062 148 HG LEU 26 HG LEU 26 1.597 -21.301 -4.330 149 1HD1 LEU 26 1HD1 LEU 26 4.389 -20.813 -3.423 150 2HD1 LEU 26 2HD1 LEU 26 3.152 -19.677 -4.012 151 3HD1 LEU 26 3HD1 LEU 26 3.072 -20.294 -2.345 152 1HD2 LEU 26 1HD2 LEU 26 4.186 -22.857 -4.514 153 2HD2 LEU 26 2HD2 LEU 26 2.621 -23.458 -5.112 154 3HD2 LEU 26 3HD2 LEU 26 3.334 -21.984 -5.810 155 H ALA 27 HN ALA 27 2.199 -24.980 -0.227 156 HA ALA 27 HA ALA 27 1.271 -23.380 1.878 157 1HB ALA 27 1HB ALA 27 0.517 -25.371 2.716 158 2HB ALA 27 2HB ALA 27 0.911 -25.945 1.078 159 3HB ALA 27 3HB ALA 27 2.060 -26.205 2.412 160 H GLU 28 HN GLU 28 4.244 -25.443 1.544 161 HA GLU 28 HA GLU 28 5.249 -24.662 4.027 162 1HB GLU 28 2HB GLU 28 5.879 -26.721 2.643 163 2HB GLU 28 3HB GLU 28 6.857 -25.666 1.642 164 1HG GLU 28 2HG GLU 28 7.286 -25.418 4.597 165 2HG GLU 28 3HG GLU 28 7.798 -26.933 3.880 166 H ILE 29 HN ILE 29 5.725 -23.463 0.662 167 HA ILE 29 HA ILE 29 7.793 -21.676 1.271 168 HB ILE 29 HB ILE 29 6.108 -22.376 -0.971 169 1HG1 ILE 29 2HG1 ILE 29 8.131 -21.861 -2.230 170 2HG1 ILE 29 3HG1 ILE 29 8.836 -21.058 -0.840 171 1HG2 ILE 29 1HG2 ILE 29 6.266 -20.204 -2.154 172 2HG2 ILE 29 2HG2 ILE 29 5.156 -20.169 -0.763 173 3HG2 ILE 29 3HG2 ILE 29 6.775 -19.440 -0.629 174 1HD1 ILE 29 1HD1 ILE 29 7.939 -23.706 -0.051 175 2HD1 ILE 29 2HD1 ILE 29 8.976 -23.825 -1.493 176 3HD1 ILE 29 3HD1 ILE 29 9.585 -23.030 -0.021 177 H ASN 30 HN ASN 30 4.270 -21.555 1.671 178 HA ASN 30 HA ASN 30 4.085 -18.789 1.909 179 1HB ASN 30 2HB ASN 30 2.058 -20.068 1.558 180 2HB ASN 30 3HB ASN 30 2.386 -21.111 2.927 181 1HD2 ASN 30 1HD2 ASN 30 1.521 -20.655 4.815 182 2HD2 ASN 30 2HD2 ASN 30 0.756 -19.171 5.275 183 H GLU 31 HN GLU 31 4.291 -21.503 4.331 184 HA GLU 31 HA GLU 31 4.350 -19.785 6.539 185 1HB GLU 31 2HB GLU 31 3.673 -22.208 6.583 186 2HB GLU 31 3HB GLU 31 5.345 -22.661 6.322 187 1HG GLU 31 2HG GLU 31 6.026 -21.942 8.458 188 2HG GLU 31 3HG GLU 31 4.712 -20.792 8.609 189 H TYR 32 HN TYR 32 6.751 -20.830 4.213 190 HA TYR 32 HA TYR 32 8.998 -20.344 5.936 191 1HB TYR 32 2HB TYR 32 9.517 -21.871 4.212 192 2HB TYR 32 3HB TYR 32 8.293 -21.212 3.146 193 HD1 TYR 32 HD1 TYR 32 8.815 -19.426 1.578 194 HD2 TYR 32 HD2 TYR 32 11.788 -20.905 4.276 195 HE1 TYR 32 HE1 TYR 32 10.626 -18.250 0.237 196 HE2 TYR 32 HE2 TYR 32 13.590 -19.724 2.925 197 HH TYR 32 HH TYR 32 14.003 -18.323 1.318 198 H LEU 33 HN LEU 33 7.195 -18.617 3.342 199 HA LEU 33 HA LEU 33 9.062 -16.498 3.165 200 1HB LEU 33 2HB LEU 33 7.881 -16.479 1.279 201 2HB LEU 33 3HB LEU 33 6.492 -17.259 2.010 202 HG LEU 33 HG LEU 33 6.027 -14.998 1.087 203 1HD1 LEU 33 1HD1 LEU 33 5.497 -14.529 3.934 204 2HD1 LEU 33 2HD1 LEU 33 4.374 -14.732 2.568 205 3HD1 LEU 33 3HD1 LEU 33 5.060 -16.162 3.376 206 1HD2 LEU 33 1HD2 LEU 33 7.592 -13.438 1.398 207 2HD2 LEU 33 2HD2 LEU 33 6.892 -13.233 3.021 208 3HD2 LEU 33 3HD2 LEU 33 8.301 -14.295 2.787 209 H MET 34 HN MET 34 5.949 -16.995 4.936 210 HA MET 34 HA MET 34 6.063 -14.411 6.070 211 1HB MET 34 2HB MET 34 4.053 -16.138 5.671 212 2HB MET 34 3HB MET 34 4.511 -16.750 7.248 213 1HG MET 34 2HG MET 34 4.329 -14.337 8.122 214 2HG MET 34 3HG MET 34 3.633 -13.904 6.573 215 1HE MET 34 1HE MET 34 3.553 -15.881 9.682 216 2HE MET 34 2HE MET 34 2.353 -14.636 10.106 217 3HE MET 34 3HE MET 34 1.855 -16.339 9.955 218 H GLY 35 HN GLY 35 7.256 -17.640 6.947 219 1HA GLY 35 1HA GLY 35 7.740 -16.990 9.709 220 2HA GLY 35 2HA GLY 35 8.242 -18.425 8.838 221 H LYS 36 HN LYS 36 9.091 -15.739 6.949 222 HA LYS 36 HA LYS 36 11.776 -15.710 8.144 223 1HB LYS 36 2HB LYS 36 10.850 -15.903 5.299 224 2HB LYS 36 3HB LYS 36 12.348 -15.060 5.640 225 1HG LYS 36 2HG LYS 36 11.965 -17.712 6.999 226 2HG LYS 36 3HG LYS 36 12.218 -17.752 5.265 227 1HD LYS 36 2HD LYS 36 14.245 -16.163 5.709 228 2HD LYS 36 3HD LYS 36 14.066 -16.609 7.394 229 1HE LYS 36 2HE LYS 36 15.308 -18.459 6.961 230 2HE LYS 36 3HE LYS 36 13.962 -19.075 6.024 231 1HZ LYS 36 1HZ LYS 36 15.264 -18.897 4.276 232 2HZ LYS 36 2HZ LYS 36 15.234 -17.269 4.411 233 3HZ LYS 36 3HZ LYS 36 16.435 -18.125 5.113 234 H PHE 37 HN PHE 37 9.095 -13.876 6.643 235 HA PHE 37 HA PHE 37 10.535 -11.400 7.188 236 1HB PHE 37 2HB PHE 37 7.921 -12.156 5.752 237 2HB PHE 37 3HB PHE 37 8.470 -10.499 5.905 238 HD1 PHE 37 HD1 PHE 37 11.351 -12.402 5.575 239 HD2 PHE 37 HD2 PHE 37 8.061 -10.997 3.292 240 HE1 PHE 37 HE1 PHE 37 12.701 -12.656 3.474 241 HE2 PHE 37 HE2 PHE 37 9.411 -11.251 1.191 242 HZ PHE 37 HZ PHE 37 11.715 -12.078 1.307 243 HA PRO 38 HA PRO 38 8.066 -11.193 10.832 244 1HB PRO 38 2HB PRO 38 9.497 -9.223 12.072 245 2HB PRO 38 3HB PRO 38 9.889 -10.925 12.213 246 1HG PRO 38 2HG PRO 38 11.254 -8.833 10.632 247 2HG PRO 38 3HG PRO 38 11.854 -10.404 11.123 248 1HD PRO 38 2HD PRO 38 10.914 -9.664 8.516 249 2HD PRO 38 3HD PRO 38 11.405 -11.263 9.039 250 H PHE 39 HN PHE 39 8.888 -8.638 8.666 251 HA PHE 39 HA PHE 39 7.006 -6.816 9.770 252 1HB PHE 39 2HB PHE 39 8.640 -7.149 7.205 253 2HB PHE 39 3HB PHE 39 7.471 -5.848 7.314 254 HD1 PHE 39 HD1 PHE 39 10.744 -7.004 8.304 255 HD2 PHE 39 HD2 PHE 39 7.765 -4.076 9.053 256 HE1 PHE 39 HE1 PHE 39 12.444 -5.573 9.471 257 HE2 PHE 39 HE2 PHE 39 9.465 -2.645 10.219 258 HZ PHE 39 HZ PHE 39 11.784 -3.410 10.415 259 H PHE 40 HN PHE 40 6.846 -9.561 7.591 260 HA PHE 40 HA PHE 40 4.463 -8.671 6.274 261 1HB PHE 40 2HB PHE 40 6.503 -10.739 6.113 262 2HB PHE 40 3HB PHE 40 4.953 -11.551 6.216 263 HD1 PHE 40 HD1 PHE 40 4.392 -12.309 4.111 264 HD2 PHE 40 HD2 PHE 40 5.986 -8.396 4.504 265 HE1 PHE 40 HE1 PHE 40 4.021 -11.912 1.660 266 HE2 PHE 40 HE2 PHE 40 5.615 -7.999 2.053 267 HZ PHE 40 HZ PHE 40 4.637 -9.761 0.661 268 H ARG 41 HN ARG 41 5.348 -10.836 9.005 269 HA ARG 41 HA ARG 41 2.682 -11.764 9.258 270 1HB ARG 41 2HB ARG 41 3.523 -12.965 11.231 271 2HB ARG 41 3HB ARG 41 4.692 -13.118 9.935 272 1HG ARG 41 2HG ARG 41 6.298 -12.051 11.140 273 2HG ARG 41 3HG ARG 41 5.233 -10.706 11.496 274 1HD ARG 41 2HD ARG 41 5.346 -11.465 13.656 275 2HD ARG 41 3HD ARG 41 4.152 -12.637 13.137 276 HE ARG 41 HE ARG 41 5.808 -14.323 13.119 277 1HH1 ARG 41 2HH2 ARG 41 7.286 -11.161 13.565 278 2HH1 ARG 41 1HH2 ARG 41 8.837 -11.804 13.990 279 1HH2 ARG 41 2HH1 ARG 41 7.854 -15.172 13.681 280 2HH2 ARG 41 1HH1 ARG 41 9.162 -14.101 14.057 281 H GLY 42 HN GLY 42 3.926 -8.770 9.736 282 1HA GLY 42 1HA GLY 42 2.285 -8.266 12.148 283 2HA GLY 42 2HA GLY 42 3.803 -7.452 11.824 284 H SER 43 HN SER 43 1.823 -8.216 9.028 285 HA SER 43 HA SER 43 0.848 -5.469 9.043 286 1HB SER 43 2HB SER 43 2.144 -7.018 6.767 287 2HB SER 43 3HB SER 43 1.168 -5.592 6.481 288 HG SER 43 HG SER 43 2.830 -4.374 7.034 289 H TYR 44 HN TYR 44 0.504 -8.052 6.549 290 HA TYR 44 HA TYR 44 -2.112 -8.791 7.469 291 1HB TYR 44 2HB TYR 44 -3.309 -7.716 5.672 292 2HB TYR 44 3HB TYR 44 -2.154 -6.486 6.144 293 HD1 TYR 44 HD1 TYR 44 0.257 -6.827 4.865 294 HD2 TYR 44 HD2 TYR 44 -3.580 -8.021 3.396 295 HE1 TYR 44 HE1 TYR 44 1.137 -6.749 2.481 296 HE2 TYR 44 HE2 TYR 44 -2.686 -7.939 1.017 297 HH TYR 44 HH TYR 44 -0.856 -6.719 -0.175 298 H THR 45 HN THR 45 -2.289 -10.930 7.038 299 HA THR 45 HA THR 45 -0.533 -12.047 4.995 300 HB THR 45 HB THR 45 -2.215 -13.191 7.279 301 HG1 THR 45 HG1 THR 45 -0.001 -13.583 8.012 302 1HG2 THR 45 1HG2 THR 45 -1.321 -14.548 4.896 303 2HG2 THR 45 2HG2 THR 45 -0.234 -15.019 6.225 304 3HG2 THR 45 3HG2 THR 45 -1.989 -15.275 6.377 305 H GLY 46 HN GLY 46 -2.254 -10.541 3.639 306 1HA GLY 46 1HA GLY 46 -4.261 -12.482 2.654 307 2HA GLY 46 2HA GLY 46 -4.550 -10.756 2.755 308 H TRP 47 HN TRP 47 -1.523 -12.458 1.740 309 HA TRP 47 HA TRP 47 -1.882 -11.218 -0.905 310 1HB TRP 47 2HB TRP 47 0.777 -11.539 -0.769 311 2HB TRP 47 3HB TRP 47 -0.060 -10.066 -0.321 312 HD1 TRP 47 HD1 TRP 47 0.779 -9.161 1.971 313 HE1 TRP 47 HE1 TRP 47 1.759 -10.091 4.237 314 HE3 TRP 47 HE3 TRP 47 0.533 -14.070 0.671 315 HZ2 TRP 47 HZ2 TRP 47 2.309 -12.717 5.210 316 HZ3 TRP 47 HZ3 TRP 47 1.312 -15.753 2.337 317 HH2 TRP 47 HH2 TRP 47 2.177 -15.144 4.540 318 H ARG 48 HN ARG 48 -2.345 -14.006 0.689 319 HA ARG 48 HA ARG 48 -0.716 -15.878 -0.396 320 1HB ARG 48 2HB ARG 48 -3.502 -15.821 0.685 321 2HB ARG 48 3HB ARG 48 -3.143 -17.205 -0.328 322 1HG ARG 48 2HG ARG 48 -1.222 -16.381 1.876 323 2HG ARG 48 3HG ARG 48 -2.638 -17.343 2.252 324 1HD ARG 48 2HD ARG 48 -1.516 -18.611 -0.017 325 2HD ARG 48 3HD ARG 48 -0.130 -18.162 0.957 326 HE ARG 48 HE ARG 48 -0.846 -19.637 2.664 327 1HH1 ARG 48 2HH2 ARG 48 -3.313 -19.344 0.173 328 2HH1 ARG 48 1HH2 ARG 48 -4.244 -20.684 0.757 329 1HH2 ARG 48 2HH1 ARG 48 -2.073 -21.404 3.435 330 2HH2 ARG 48 1HH1 ARG 48 -3.533 -21.863 2.625 331 H ASN 49 HN ASN 49 -3.703 -14.370 -1.757 332 HA ASN 49 HA ASN 49 -3.639 -16.022 -4.058 333 1HB ASN 49 2HB ASN 49 -5.242 -13.623 -3.128 334 2HB ASN 49 3HB ASN 49 -5.307 -14.051 -4.826 335 1HD2 ASN 49 1HD2 ASN 49 -6.618 -14.552 -1.821 336 2HD2 ASN 49 2HD2 ASN 49 -7.481 -16.030 -2.084 337 H SER 50 HN SER 50 -3.024 -12.513 -3.292 338 HA SER 50 HA SER 50 -2.344 -11.678 -5.783 339 1HB SER 50 2HB SER 50 -1.838 -10.792 -3.003 340 2HB SER 50 3HB SER 50 -0.624 -10.233 -4.136 341 HG SER 50 HG SER 50 -2.081 -8.686 -4.501 342 H VAL 51 HN VAL 51 -0.254 -13.174 -3.231 343 HA VAL 51 HA VAL 51 2.129 -12.969 -4.716 344 HB VAL 51 HB VAL 51 1.677 -13.356 -2.193 345 1HG1 VAL 51 1HG1 VAL 51 1.717 -16.221 -3.202 346 2HG1 VAL 51 2HG1 VAL 51 1.879 -15.728 -1.500 347 3HG1 VAL 51 3HG1 VAL 51 0.368 -15.399 -2.381 348 1HG2 VAL 51 1HG2 VAL 51 3.897 -14.726 -3.740 349 2HG2 VAL 51 2HG2 VAL 51 3.906 -13.094 -3.030 350 3HG2 VAL 51 3HG2 VAL 51 3.900 -14.525 -1.971 351 H ARG 52 HN ARG 52 -0.282 -15.632 -4.241 352 HA ARG 52 HA ARG 52 0.979 -17.576 -5.599 353 1HB ARG 52 2HB ARG 52 -0.998 -18.488 -4.904 354 2HB ARG 52 3HB ARG 52 -1.787 -16.923 -4.872 355 1HG ARG 52 2HG ARG 52 -2.331 -17.043 -7.234 356 2HG ARG 52 3HG ARG 52 -1.281 -18.425 -7.476 357 1HD ARG 52 2HD ARG 52 -2.940 -19.868 -6.895 358 2HD ARG 52 3HD ARG 52 -3.194 -19.042 -5.370 359 HE ARG 52 HE ARG 52 -4.374 -17.373 -7.283 360 1HH1 ARG 52 2HH2 ARG 52 -4.776 -20.717 -6.264 361 2HH1 ARG 52 1HH2 ARG 52 -6.457 -20.776 -6.680 362 1HH2 ARG 52 2HH1 ARG 52 -6.591 -17.450 -7.833 363 2HH2 ARG 52 1HH1 ARG 52 -7.496 -18.905 -7.578 364 H HIS 53 HN HIS 53 -0.889 -14.788 -6.897 365 HA HIS 53 HA HIS 53 -0.899 -15.696 -9.560 366 1HB HIS 53 2HB HIS 53 -1.860 -13.446 -8.049 367 2HB HIS 53 3HB HIS 53 -1.040 -12.857 -9.481 368 HD1 HIS 53 HD1 HIS 53 -4.299 -13.336 -8.603 369 HD2 HIS 53 HD2 HIS 53 -2.039 -14.987 -11.727 370 HE1 HIS 53 HE1 HIS 53 -5.973 -14.089 -10.375 371 H ASN 54 HN ASN 54 1.089 -13.173 -7.853 372 HA ASN 54 HA ASN 54 2.734 -12.706 -10.020 373 1HB ASN 54 2HB ASN 54 3.227 -12.418 -7.012 374 2HB ASN 54 3HB ASN 54 4.337 -11.802 -8.220 375 1HD2 ASN 54 1HD2 ASN 54 4.153 -9.710 -8.391 376 2HD2 ASN 54 2HD2 ASN 54 2.692 -8.780 -8.444 377 H LEU 55 HN LEU 55 2.427 -15.424 -7.905 378 HA LEU 55 HA LEU 55 5.191 -16.216 -8.005 379 1HB LEU 55 2HB LEU 55 3.607 -16.627 -6.094 380 2HB LEU 55 3HB LEU 55 2.783 -17.797 -7.105 381 HG LEU 55 HG LEU 55 5.529 -18.488 -7.181 382 1HD1 LEU 55 1HD1 LEU 55 5.311 -18.902 -4.435 383 2HD1 LEU 55 2HD1 LEU 55 6.404 -17.770 -5.267 384 3HD1 LEU 55 3HD1 LEU 55 4.824 -17.206 -4.672 385 1HD2 LEU 55 1HD2 LEU 55 4.620 -20.460 -5.773 386 2HD2 LEU 55 2HD2 LEU 55 3.037 -19.674 -5.984 387 3HD2 LEU 55 3HD2 LEU 55 3.970 -20.193 -7.408 388 H SER 56 HN SER 56 2.072 -17.080 -9.594 389 HA SER 56 HA SER 56 3.316 -19.126 -11.111 390 1HB SER 56 2HB SER 56 1.173 -19.563 -11.961 391 2HB SER 56 3HB SER 56 0.816 -18.887 -10.384 392 HG SER 56 HG SER 56 -0.506 -17.928 -12.047 393 H LEU 57 HN LEU 57 2.679 -15.654 -11.431 394 HA LEU 57 HA LEU 57 3.150 -15.650 -14.270 395 1HB LEU 57 2HB LEU 57 2.764 -13.449 -12.239 396 2HB LEU 57 3HB LEU 57 3.012 -13.172 -13.952 397 HG LEU 57 HG LEU 57 0.783 -14.993 -13.139 398 1HD1 LEU 57 1HD1 LEU 57 -0.443 -13.493 -12.053 399 2HD1 LEU 57 2HD1 LEU 57 1.013 -12.474 -11.952 400 3HD1 LEU 57 3HD1 LEU 57 -0.139 -12.250 -13.291 401 1HD2 LEU 57 1HD2 LEU 57 0.770 -12.844 -15.252 402 2HD2 LEU 57 2HD2 LEU 57 1.518 -14.433 -15.536 403 3HD2 LEU 57 3HD2 LEU 57 -0.214 -14.323 -15.143 404 H ASN 58 HN ASN 58 4.960 -15.257 -11.248 405 HA ASN 58 HA ASN 58 7.113 -13.871 -12.232 406 1HB ASN 58 2HB ASN 58 6.505 -15.597 -9.901 407 2HB ASN 58 3HB ASN 58 8.194 -15.679 -10.361 408 1HD2 ASN 58 1HD2 ASN 58 6.076 -12.926 -10.912 409 2HD2 ASN 58 2HD2 ASN 58 6.841 -11.815 -9.826 410 H ASP 59 HN ASP 59 7.526 -17.297 -11.177 411 HA ASP 59 HA ASP 59 9.557 -17.832 -12.909 412 1HB ASP 59 2HB ASP 59 8.080 -19.210 -10.935 413 2HB ASP 59 3HB ASP 59 7.880 -20.192 -12.373 414 H CYS 60 HN CYS 60 6.037 -18.770 -13.118 415 HA CYS 60 HA CYS 60 4.776 -18.629 -15.014 416 1HB CYS 60 2HB CYS 60 6.802 -17.543 -16.218 417 2HB CYS 60 3HB CYS 60 7.162 -19.161 -16.786 418 HG CYS 60 HG CYS 60 4.926 -19.653 -17.939 419 H PHE 61 HN PHE 61 4.807 -20.692 -13.338 420 HA PHE 61 HA PHE 61 5.253 -23.049 -15.034 421 1HB PHE 61 2HB PHE 61 5.300 -24.110 -12.584 422 2HB PHE 61 3HB PHE 61 6.728 -23.280 -13.170 423 HD1 PHE 61 HD1 PHE 61 3.514 -22.090 -11.672 424 HD2 PHE 61 HD2 PHE 61 7.752 -22.137 -11.458 425 HE1 PHE 61 HE1 PHE 61 3.431 -20.550 -9.691 426 HE2 PHE 61 HE2 PHE 61 7.669 -20.597 -9.478 427 HZ PHE 61 HZ PHE 61 5.510 -19.822 -8.618 428 H VAL 62 HN VAL 62 3.896 -24.925 -13.417 429 HA VAL 62 HA VAL 62 1.152 -23.874 -13.537 430 HB VAL 62 HB VAL 62 0.417 -25.971 -14.330 431 1HG1 VAL 62 1HG1 VAL 62 1.338 -26.016 -16.475 432 2HG1 VAL 62 2HG1 VAL 62 1.720 -24.372 -15.910 433 3HG1 VAL 62 3HG1 VAL 62 2.975 -25.634 -15.891 434 1HG2 VAL 62 1HG2 VAL 62 1.893 -27.363 -12.880 435 2HG2 VAL 62 2HG2 VAL 62 1.794 -27.946 -14.559 436 3HG2 VAL 62 3HG2 VAL 62 3.234 -27.056 -14.009 437 H LYS 63 HN LYS 63 -0.376 -25.312 -12.113 438 HA LYS 63 HA LYS 63 1.057 -25.874 -9.609 439 1HB LYS 63 2HB LYS 63 -1.795 -24.920 -9.682 440 2HB LYS 63 3HB LYS 63 -0.643 -24.868 -8.364 441 1HG LYS 63 2HG LYS 63 0.684 -23.144 -9.518 442 2HG LYS 63 3HG LYS 63 -0.323 -23.270 -10.947 443 1HD LYS 63 2HD LYS 63 -2.278 -22.739 -9.157 444 2HD LYS 63 3HD LYS 63 -0.947 -22.003 -8.287 445 1HE LYS 63 2HE LYS 63 -0.516 -20.423 -10.011 446 2HE LYS 63 3HE LYS 63 -1.333 -21.380 -11.230 447 1HZ LYS 63 1HZ LYS 63 -2.408 -19.385 -9.675 448 2HZ LYS 63 2HZ LYS 63 -3.188 -20.326 -10.758 449 3HZ LYS 63 3HZ LYS 63 -3.130 -20.766 -9.186 450 H VAL 64 HN VAL 64 -0.152 -27.466 -8.174 451 HA VAL 64 HA VAL 64 -1.501 -29.446 -9.878 452 HB VAL 64 HB VAL 64 0.400 -29.897 -7.569 453 1HG1 VAL 64 1HG1 VAL 64 0.223 -32.321 -8.475 454 2HG1 VAL 64 2HG1 VAL 64 -1.092 -31.692 -7.453 455 3HG1 VAL 64 3HG1 VAL 64 -1.296 -31.767 -9.220 456 1HG2 VAL 64 1HG2 VAL 64 1.434 -29.109 -9.729 457 2HG2 VAL 64 2HG2 VAL 64 1.982 -30.709 -9.173 458 3HG2 VAL 64 3HG2 VAL 64 0.797 -30.584 -10.496 459 H LEU 65 HN LEU 65 -3.563 -28.490 -9.331 460 HA LEU 65 HA LEU 65 -4.261 -28.359 -6.539 461 1HB LEU 65 2HB LEU 65 -4.969 -26.796 -8.484 462 2HB LEU 65 3HB LEU 65 -6.151 -28.036 -8.849 463 HG LEU 65 HG LEU 65 -6.730 -27.765 -6.266 464 1HD1 LEU 65 1HD1 LEU 65 -6.617 -25.164 -5.890 465 2HD1 LEU 65 2HD1 LEU 65 -5.253 -26.216 -5.443 466 3HD1 LEU 65 3HD1 LEU 65 -5.201 -25.288 -6.961 467 1HD2 LEU 65 1HD2 LEU 65 -8.363 -27.488 -7.988 468 2HD2 LEU 65 2HD2 LEU 65 -8.444 -26.062 -6.925 469 3HD2 LEU 65 3HD2 LEU 65 -7.639 -25.947 -8.509 470 H ARG 66 HN ARG 66 -5.138 -29.975 -5.356 471 HA ARG 66 HA ARG 66 -5.808 -31.973 -4.846 472 1HB ARG 66 2HB ARG 66 -7.976 -31.039 -5.601 473 2HB ARG 66 3HB ARG 66 -7.646 -31.528 -7.251 474 1HG ARG 66 2HG ARG 66 -7.984 -33.810 -6.800 475 2HG ARG 66 3HG ARG 66 -7.564 -33.649 -5.106 476 1HD ARG 66 2HD ARG 66 -9.707 -33.062 -4.488 477 2HD ARG 66 3HD ARG 66 -9.964 -32.079 -5.916 478 HE ARG 66 HE ARG 66 -10.690 -34.869 -5.596 479 1HH1 ARG 66 2HH2 ARG 66 -9.648 -32.504 -7.984 480 2HH1 ARG 66 1HH2 ARG 66 -10.370 -33.342 -9.317 481 1HH2 ARG 66 2HH1 ARG 66 -11.643 -35.975 -7.354 482 2HH2 ARG 66 1HH1 ARG 66 -11.512 -35.330 -8.956 483 H ASP 67 HN ASP 67 -4.006 -33.332 -5.225 484 HA ASP 67 HA ASP 67 -4.236 -34.912 -7.635 485 1HB ASP 67 2HB ASP 67 -2.525 -33.321 -8.258 486 2HB ASP 67 3HB ASP 67 -1.751 -33.431 -6.690 487 HA PRO 68 HA PRO 68 -3.494 -37.782 -4.348 488 1HB PRO 68 2HB PRO 68 -3.955 -40.081 -5.752 489 2HB PRO 68 3HB PRO 68 -5.232 -39.140 -5.008 490 1HG PRO 68 2HG PRO 68 -4.496 -39.334 -7.864 491 2HG PRO 68 3HG PRO 68 -5.991 -38.760 -7.153 492 1HD PRO 68 2HD PRO 68 -3.886 -37.153 -8.255 493 2HD PRO 68 3HD PRO 68 -5.326 -36.578 -7.440 494 H SER 69 HN SER 69 -1.263 -36.940 -4.326 495 HA SER 69 HA SER 69 0.412 -39.126 -5.243 496 1HB SER 69 2HB SER 69 0.574 -36.255 -6.040 497 2HB SER 69 3HB SER 69 2.101 -36.992 -5.597 498 HG SER 69 HG SER 69 2.022 -37.595 -7.679 499 H ARG 70 HN ARG 70 0.223 -36.029 -3.352 500 HA ARG 70 HA ARG 70 1.619 -37.435 -1.235 501 1HB ARG 70 2HB ARG 70 2.888 -35.291 -0.737 502 2HB ARG 70 3HB ARG 70 3.345 -36.049 -2.250 503 1HG ARG 70 2HG ARG 70 1.283 -34.416 -3.093 504 2HG ARG 70 3HG ARG 70 1.935 -33.464 -1.774 505 1HD ARG 70 2HD ARG 70 3.068 -32.874 -3.891 506 2HD ARG 70 3HD ARG 70 4.212 -33.597 -2.777 507 HE ARG 70 HE ARG 70 2.913 -35.503 -4.613 508 1HH1 ARG 70 2HH2 ARG 70 5.681 -33.406 -4.042 509 2HH1 ARG 70 1HH2 ARG 70 6.706 -34.241 -5.161 510 1HH2 ARG 70 2HH1 ARG 70 4.266 -36.605 -6.090 511 2HH2 ARG 70 1HH1 ARG 70 5.896 -36.073 -6.334 512 HA PRO 71 HA PRO 71 -2.132 -35.142 0.096 513 1HB PRO 71 2HB PRO 71 -3.645 -37.259 0.933 514 2HB PRO 71 3HB PRO 71 -3.800 -36.540 -0.658 515 1HG PRO 71 2HG PRO 71 -2.523 -39.095 0.105 516 2HG PRO 71 3HG PRO 71 -3.061 -38.566 -1.477 517 1HD PRO 71 2HD PRO 71 -0.357 -38.647 -0.522 518 2HD PRO 71 3HD PRO 71 -0.908 -38.010 -2.059 519 H TRP 72 HN TRP 72 0.139 -34.959 1.408 520 HA TRP 72 HA TRP 72 -0.719 -34.894 4.064 521 1HB TRP 72 2HB TRP 72 -0.464 -37.400 3.736 522 2HB TRP 72 3HB TRP 72 1.259 -37.120 3.586 523 HD1 TRP 72 HD1 TRP 72 -1.343 -35.839 6.230 524 HE1 TRP 72 HE1 TRP 72 -0.429 -36.226 8.674 525 HE3 TRP 72 HE3 TRP 72 3.021 -38.032 4.814 526 HZ2 TRP 72 HZ2 TRP 72 1.963 -37.381 9.719 527 HZ3 TRP 72 HZ3 TRP 72 4.590 -38.760 6.609 528 HH2 TRP 72 HH2 TRP 72 4.120 -38.466 8.989 529 H GLY 73 HN GLY 73 0.440 -33.177 2.075 530 1HA GLY 73 1HA GLY 73 3.266 -32.940 2.809 531 2HA GLY 73 2HA GLY 73 2.427 -32.099 1.520 532 H LYS 74 HN LYS 74 0.322 -30.806 2.556 533 HA LYS 74 HA LYS 74 0.535 -29.745 5.094 534 1HB LYS 74 2HB LYS 74 2.454 -28.593 3.202 535 2HB LYS 74 3HB LYS 74 1.395 -27.389 3.907 536 1HG LYS 74 2HG LYS 74 2.398 -27.557 5.943 537 2HG LYS 74 3HG LYS 74 2.277 -29.306 5.942 538 1HD LYS 74 2HD LYS 74 4.265 -29.200 4.204 539 2HD LYS 74 3HD LYS 74 4.491 -27.569 4.805 540 1HE LYS 74 2HE LYS 74 5.410 -28.302 6.760 541 2HE LYS 74 3HE LYS 74 4.139 -29.481 7.013 542 1HZ LYS 74 1HZ LYS 74 5.683 -30.346 4.886 543 2HZ LYS 74 2HZ LYS 74 6.713 -29.918 6.078 544 3HZ LYS 74 3HZ LYS 74 5.545 -31.023 6.365 545 H ASP 75 HN ASP 75 0.001 -28.728 1.650 546 HA ASP 75 HA ASP 75 -2.780 -28.451 2.277 547 1HB ASP 75 2HB ASP 75 -1.055 -26.117 1.335 548 2HB ASP 75 3HB ASP 75 -2.801 -26.123 1.184 549 H ASN 76 HN ASN 76 -0.329 -27.318 -0.187 550 HA ASN 76 HA ASN 76 -1.182 -29.269 -2.041 551 1HB ASN 76 2HB ASN 76 -3.002 -27.483 -2.239 552 2HB ASN 76 3HB ASN 76 -1.765 -26.339 -2.720 553 1HD2 ASN 76 1HD2 ASN 76 -1.207 -26.189 -4.770 554 2HD2 ASN 76 2HD2 ASN 76 -1.643 -27.281 -6.043 555 H TYR 77 HN TYR 77 0.042 -28.796 -4.258 556 HA TYR 77 HA TYR 77 2.374 -27.086 -3.840 557 1HB TYR 77 2HB TYR 77 3.676 -29.138 -4.815 558 2HB TYR 77 3HB TYR 77 3.140 -29.299 -3.154 559 HD1 TYR 77 HD1 TYR 77 0.741 -30.412 -2.854 560 HD2 TYR 77 HD2 TYR 77 3.219 -30.860 -6.313 561 HE1 TYR 77 HE1 TYR 77 -0.487 -32.553 -3.465 562 HE2 TYR 77 HE2 TYR 77 1.983 -32.999 -6.912 563 HH TYR 77 HH TYR 77 0.338 -34.318 -6.435 564 H TRP 78 HN TRP 78 3.550 -26.625 -5.872 565 HA TRP 78 HA TRP 78 1.754 -26.920 -8.182 566 1HB TRP 78 2HB TRP 78 3.732 -24.700 -7.640 567 2HB TRP 78 3HB TRP 78 2.644 -24.825 -9.009 568 HD1 TRP 78 HD1 TRP 78 0.625 -25.890 -6.142 569 HE1 TRP 78 HE1 TRP 78 -0.893 -23.986 -5.126 570 HE3 TRP 78 HE3 TRP 78 2.988 -22.038 -8.473 571 HZ2 TRP 78 HZ2 TRP 78 -0.934 -21.146 -5.404 572 HZ3 TRP 78 HZ3 TRP 78 2.145 -19.731 -8.047 573 HH2 TRP 78 HH2 TRP 78 0.255 -19.254 -6.573 574 H MET 79 HN MET 79 2.995 -26.975 -10.321 575 HA MET 79 HA MET 79 5.532 -28.357 -9.892 576 1HB MET 79 2HB MET 79 3.984 -30.014 -10.691 577 2HB MET 79 3HB MET 79 3.190 -28.883 -11.770 578 1HG MET 79 2HG MET 79 4.906 -29.004 -13.390 579 2HG MET 79 3HG MET 79 6.116 -29.506 -12.227 580 1HE MET 79 1HE MET 79 4.881 -32.841 -11.073 581 2HE MET 79 2HE MET 79 6.443 -32.677 -11.912 582 3HE MET 79 3HE MET 79 5.879 -31.389 -10.820 583 H LEU 80 HN LEU 80 7.229 -27.162 -10.630 584 HA LEU 80 HA LEU 80 6.740 -25.523 -13.019 585 1HB LEU 80 2HB LEU 80 8.324 -23.908 -12.145 586 2HB LEU 80 3HB LEU 80 6.941 -24.106 -11.087 587 HG LEU 80 HG LEU 80 9.434 -25.671 -10.511 588 1HD1 LEU 80 1HD1 LEU 80 10.316 -23.797 -9.168 589 2HD1 LEU 80 2HD1 LEU 80 10.296 -23.443 -10.913 590 3HD1 LEU 80 3HD1 LEU 80 9.057 -22.738 -9.847 591 1HD2 LEU 80 1HD2 LEU 80 7.719 -24.318 -8.467 592 2HD2 LEU 80 2HD2 LEU 80 7.094 -25.761 -9.302 593 3HD2 LEU 80 3HD2 LEU 80 8.614 -25.854 -8.380 594 H ASN 81 HN ASN 81 8.662 -25.221 -14.422 595 HA ASN 81 HA ASN 81 10.912 -26.843 -13.981 596 1HB ASN 81 2HB ASN 81 10.594 -28.569 -15.601 597 2HB ASN 81 3HB ASN 81 9.052 -28.501 -14.772 598 1HD2 ASN 81 1HD2 ASN 81 9.666 -29.442 -17.435 599 2HD2 ASN 81 2HD2 ASN 81 8.724 -28.518 -18.557 600 HA PRO 82 HA PRO 82 12.267 -24.097 -17.120 601 1HB PRO 82 2HB PRO 82 14.401 -25.393 -18.231 602 2HB PRO 82 3HB PRO 82 14.489 -24.536 -16.706 603 1HG PRO 82 2HG PRO 82 14.395 -27.450 -17.191 604 2HG PRO 82 3HG PRO 82 14.902 -26.594 -15.749 605 1HD PRO 82 2HD PRO 82 12.407 -27.951 -16.150 606 2HD PRO 82 3HD PRO 82 12.869 -26.997 -14.754 Start of MODEL 14 1 H TYR 8 HN TYR 8 -6.177 -7.623 1.959 2 HA TYR 8 HA TYR 8 -5.681 -6.709 4.606 3 1HB TYR 8 2HB TYR 8 -5.139 -5.933 2.006 4 2HB TYR 8 3HB TYR 8 -6.536 -4.920 2.310 5 HD1 TYR 8 HD1 TYR 8 -3.797 -5.911 4.664 6 HD2 TYR 8 HD2 TYR 8 -5.674 -2.749 2.476 7 HE1 TYR 8 HE1 TYR 8 -2.316 -4.210 5.836 8 HE2 TYR 8 HE2 TYR 8 -4.186 -1.059 3.656 9 HH TYR 8 HH TYR 8 -2.203 -1.974 6.348 10 H ILE 9 HN ILE 9 -8.265 -5.797 2.207 11 HA ILE 9 HA ILE 9 -9.839 -4.591 4.223 12 HB ILE 9 HB ILE 9 -11.355 -4.110 2.521 13 1HG1 ILE 9 2HG1 ILE 9 -11.755 -6.384 1.721 14 2HG1 ILE 9 3HG1 ILE 9 -11.507 -5.274 0.388 15 1HG2 ILE 9 1HG2 ILE 9 -8.683 -4.310 1.109 16 2HG2 ILE 9 2HG2 ILE 9 -10.013 -3.182 0.757 17 3HG2 ILE 9 3HG2 ILE 9 -9.115 -3.049 2.288 18 1HD1 ILE 9 1HD1 ILE 9 -10.250 -7.343 -0.021 19 2HD1 ILE 9 2HD1 ILE 9 -9.108 -6.004 0.247 20 3HD1 ILE 9 3HD1 ILE 9 -9.421 -7.179 1.546 21 H ALA 10 HN ALA 10 -9.237 -7.861 3.329 22 HA ALA 10 HA ALA 10 -11.831 -8.854 4.026 23 1HB ALA 10 1HB ALA 10 -10.633 -10.142 2.447 24 2HB ALA 10 2HB ALA 10 -9.127 -10.063 3.391 25 3HB ALA 10 3HB ALA 10 -10.483 -11.066 3.961 26 H LEU 11 HN LEU 11 -8.533 -8.840 5.545 27 HA LEU 11 HA LEU 11 -9.365 -10.076 7.912 28 1HB LEU 11 2HB LEU 11 -7.233 -9.702 8.669 29 2HB LEU 11 3HB LEU 11 -7.024 -9.747 6.930 30 HG LEU 11 HG LEU 11 -7.260 -7.130 7.120 31 1HD1 LEU 11 1HD1 LEU 11 -5.921 -6.621 9.393 32 2HD1 LEU 11 2HD1 LEU 11 -7.695 -6.551 9.262 33 3HD1 LEU 11 3HD1 LEU 11 -6.909 -7.999 9.936 34 1HD2 LEU 11 1HD2 LEU 11 -5.296 -8.238 6.259 35 2HD2 LEU 11 2HD2 LEU 11 -4.803 -6.963 7.398 36 3HD2 LEU 11 3HD2 LEU 11 -4.770 -8.669 7.904 37 H ILE 12 HN ILE 12 -9.314 -6.664 6.816 38 HA ILE 12 HA ILE 12 -9.916 -5.597 9.365 39 HB ILE 12 HB ILE 12 -9.561 -4.661 6.623 40 1HG1 ILE 12 2HG1 ILE 12 -8.828 -2.608 8.164 41 2HG1 ILE 12 3HG1 ILE 12 -8.839 -3.844 9.405 42 1HG2 ILE 12 1HG2 ILE 12 -10.784 -2.493 7.081 43 2HG2 ILE 12 2HG2 ILE 12 -11.800 -3.903 6.696 44 3HG2 ILE 12 3HG2 ILE 12 -11.642 -3.353 8.382 45 1HD1 ILE 12 1HD1 ILE 12 -6.746 -4.364 8.678 46 2HD1 ILE 12 2HD1 ILE 12 -7.554 -5.135 7.293 47 3HD1 ILE 12 3HD1 ILE 12 -6.965 -3.461 7.160 48 H THR 13 HN THR 13 -11.858 -6.695 6.542 49 HA THR 13 HA THR 13 -14.329 -5.773 7.517 50 HB THR 13 HB THR 13 -13.457 -7.951 5.557 51 HG1 THR 13 HG1 THR 13 -14.620 -5.256 5.505 52 1HG2 THR 13 1HG2 THR 13 -16.142 -7.337 6.641 53 2HG2 THR 13 2HG2 THR 13 -16.041 -7.094 4.881 54 3HG2 THR 13 3HG2 THR 13 -15.636 -8.677 5.585 55 H MET 14 HN MET 14 -12.704 -8.997 7.791 56 HA MET 14 HA MET 14 -14.817 -9.985 9.387 57 1HB MET 14 2HB MET 14 -13.297 -11.958 9.632 58 2HB MET 14 3HB MET 14 -13.362 -11.437 7.959 59 1HG MET 14 2HG MET 14 -11.142 -10.891 7.929 60 2HG MET 14 3HG MET 14 -11.246 -10.029 9.451 61 1HE MET 14 1HE MET 14 -8.638 -11.314 9.261 62 2HE MET 14 2HE MET 14 -9.305 -10.716 10.799 63 3HE MET 14 3HE MET 14 -8.538 -12.320 10.727 64 H ALA 15 HN ALA 15 -12.125 -7.920 9.986 65 HA ALA 15 HA ALA 15 -11.680 -8.776 12.692 66 1HB ALA 15 1HB ALA 15 -10.327 -6.560 12.656 67 2HB ALA 15 2HB ALA 15 -9.782 -7.891 11.608 68 3HB ALA 15 3HB ALA 15 -10.697 -6.530 10.916 69 H ILE 16 HN ILE 16 -13.085 -5.841 11.067 70 HA ILE 16 HA ILE 16 -14.081 -4.836 13.532 71 HB ILE 16 HB ILE 16 -13.458 -3.307 11.835 72 1HG1 ILE 16 2HG1 ILE 16 -16.208 -2.679 11.366 73 2HG1 ILE 16 3HG1 ILE 16 -16.078 -3.357 12.977 74 1HG2 ILE 16 1HG2 ILE 16 -15.429 -3.649 9.804 75 2HG2 ILE 16 2HG2 ILE 16 -13.657 -3.757 9.675 76 3HG2 ILE 16 3HG2 ILE 16 -14.612 -5.210 10.059 77 1HD1 ILE 16 1HD1 ILE 16 -14.768 -1.621 13.763 78 2HD1 ILE 16 2HD1 ILE 16 -13.965 -1.377 12.194 79 3HD1 ILE 16 3HD1 ILE 16 -15.607 -0.744 12.461 80 H ARG 17 HN ARG 17 -15.157 -7.172 11.157 81 HA ARG 17 HA ARG 17 -17.876 -6.900 11.481 82 1HB ARG 17 2HB ARG 17 -15.994 -9.020 10.533 83 2HB ARG 17 3HB ARG 17 -17.559 -9.614 11.050 84 1HG ARG 17 2HG ARG 17 -18.731 -8.255 9.449 85 2HG ARG 17 3HG ARG 17 -17.330 -7.245 9.154 86 1HD ARG 17 2HD ARG 17 -16.230 -8.910 7.866 87 2HD ARG 17 3HD ARG 17 -17.165 -10.216 8.568 88 HE ARG 17 HE ARG 17 -17.933 -8.563 6.297 89 1HH1 ARG 17 2HH2 ARG 17 -19.201 -10.467 8.971 90 2HH1 ARG 17 1HH2 ARG 17 -20.717 -10.782 8.196 91 1HH2 ARG 17 2HH1 ARG 17 -19.934 -8.978 5.274 92 2HH2 ARG 17 1HH1 ARG 17 -21.137 -9.929 6.079 93 H ASP 18 HN ASP 18 -15.504 -7.729 13.780 94 HA ASP 18 HA ASP 18 -17.032 -9.660 15.192 95 1HB ASP 18 2HB ASP 18 -14.486 -9.430 15.214 96 2HB ASP 18 3HB ASP 18 -14.681 -7.973 16.169 97 H SER 19 HN SER 19 -17.669 -6.519 14.587 98 HA SER 19 HA SER 19 -18.044 -5.581 17.258 99 1HB SER 19 2HB SER 19 -18.501 -3.509 16.296 100 2HB SER 19 3HB SER 19 -17.484 -4.225 15.062 101 HG SER 19 HG SER 19 -19.700 -5.038 14.181 102 H ALA 20 HN ALA 20 -19.988 -6.898 14.538 103 HA ALA 20 HA ALA 20 -21.955 -7.967 14.626 104 1HB ALA 20 1HB ALA 20 -22.751 -7.075 17.347 105 2HB ALA 20 2HB ALA 20 -22.799 -8.696 16.614 106 3HB ALA 20 3HB ALA 20 -21.270 -8.058 17.264 107 H GLY 21 HN GLY 21 -21.508 -5.388 13.559 108 1HA GLY 21 1HA GLY 21 -22.563 -3.507 12.911 109 2HA GLY 21 2HA GLY 21 -24.025 -4.464 13.038 110 H GLY 22 HN GLY 22 -21.727 -3.322 15.606 111 1HA GLY 22 1HA GLY 22 -23.769 -1.503 16.634 112 2HA GLY 22 2HA GLY 22 -23.307 -2.846 17.660 113 H ARG 23 HN ARG 23 -20.837 -3.153 17.993 114 HA ARG 23 HA ARG 23 -19.271 -0.833 17.582 115 1HB ARG 23 2HB ARG 23 -18.880 -0.265 19.939 116 2HB ARG 23 3HB ARG 23 -20.600 -0.175 19.617 117 1HG ARG 23 2HG ARG 23 -20.608 -2.709 20.411 118 2HG ARG 23 3HG ARG 23 -19.072 -2.298 21.147 119 1HD ARG 23 2HD ARG 23 -20.519 -0.170 22.023 120 2HD ARG 23 3HD ARG 23 -21.831 -1.315 21.831 121 HE ARG 23 HE ARG 23 -19.799 -2.715 23.189 122 1HH1 ARG 23 2HH2 ARG 23 -21.779 0.137 23.763 123 2HH1 ARG 23 1HH2 ARG 23 -21.747 -0.031 25.486 124 1HH2 ARG 23 2HH1 ARG 23 -19.758 -2.937 25.463 125 2HH2 ARG 23 1HH1 ARG 23 -20.590 -1.791 26.460 126 H LEU 24 HN LEU 24 -16.977 -1.198 18.411 127 HA LEU 24 HA LEU 24 -16.332 -3.788 19.418 128 1HB LEU 24 2HB LEU 24 -16.219 -4.864 17.495 129 2HB LEU 24 3HB LEU 24 -16.468 -3.400 16.565 130 HG LEU 24 HG LEU 24 -13.760 -4.080 17.709 131 1HD1 LEU 24 1HD1 LEU 24 -15.057 -5.166 15.217 132 2HD1 LEU 24 2HD1 LEU 24 -13.292 -4.972 15.340 133 3HD1 LEU 24 3HD1 LEU 24 -14.154 -6.026 16.486 134 1HD2 LEU 24 1HD2 LEU 24 -14.761 -1.848 16.370 135 2HD2 LEU 24 2HD2 LEU 24 -13.052 -2.258 16.651 136 3HD2 LEU 24 3HD2 LEU 24 -13.847 -2.744 15.134 137 H THR 25 HN THR 25 -13.937 -3.982 19.773 138 HA THR 25 HA THR 25 -12.836 -1.291 20.194 139 HB THR 25 HB THR 25 -12.864 -2.314 22.297 140 HG1 THR 25 HG1 THR 25 -10.641 -2.126 22.131 141 1HG2 THR 25 1HG2 THR 25 -12.226 -4.828 22.514 142 2HG2 THR 25 2HG2 THR 25 -13.835 -4.474 21.840 143 3HG2 THR 25 3HG2 THR 25 -12.496 -4.925 20.758 144 H LEU 26 HN LEU 26 -11.732 -0.678 18.407 145 HA LEU 26 HA LEU 26 -10.493 -2.354 16.623 146 1HB LEU 26 2HB LEU 26 -10.715 0.436 17.122 147 2HB LEU 26 3HB LEU 26 -9.021 0.086 16.837 148 HG LEU 26 HG LEU 26 -10.080 0.711 14.766 149 1HD1 LEU 26 1HD1 LEU 26 -8.633 -0.689 13.835 150 2HD1 LEU 26 2HD1 LEU 26 -8.800 -1.843 15.181 151 3HD1 LEU 26 3HD1 LEU 26 -9.918 -1.920 13.798 152 1HD2 LEU 26 1HD2 LEU 26 -12.348 -0.476 15.755 153 2HD2 LEU 26 2HD2 LEU 26 -12.120 0.101 14.087 154 3HD2 LEU 26 3HD2 LEU 26 -11.847 -1.613 14.481 155 H ALA 27 HN ALA 27 -9.369 -1.119 19.780 156 HA ALA 27 HA ALA 27 -6.683 -1.654 19.566 157 1HB ALA 27 1HB ALA 27 -8.700 -1.318 21.692 158 2HB ALA 27 2HB ALA 27 -7.310 -2.319 22.176 159 3HB ALA 27 3HB ALA 27 -7.049 -0.665 21.570 160 H GLU 28 HN GLU 28 -9.387 -3.865 20.541 161 HA GLU 28 HA GLU 28 -7.701 -6.046 20.952 162 1HB GLU 28 2HB GLU 28 -10.396 -5.466 21.353 163 2HB GLU 28 3HB GLU 28 -10.459 -6.691 20.101 164 1HG GLU 28 2HG GLU 28 -9.550 -8.345 21.464 165 2HG GLU 28 3HG GLU 28 -8.580 -7.212 22.385 166 H ILE 29 HN ILE 29 -9.231 -4.639 18.075 167 HA ILE 29 HA ILE 29 -8.970 -6.926 16.436 168 HB ILE 29 HB ILE 29 -9.811 -4.146 16.203 169 1HG1 ILE 29 2HG1 ILE 29 -11.441 -5.149 14.653 170 2HG1 ILE 29 3HG1 ILE 29 -10.582 -6.675 14.716 171 1HG2 ILE 29 1HG2 ILE 29 -8.074 -3.778 14.668 172 2HG2 ILE 29 2HG2 ILE 29 -8.237 -5.401 13.955 173 3HG2 ILE 29 3HG2 ILE 29 -9.493 -4.173 13.668 174 1HD1 ILE 29 1HD1 ILE 29 -10.903 -6.570 17.290 175 2HD1 ILE 29 2HD1 ILE 29 -12.081 -5.277 16.960 176 3HD1 ILE 29 3HD1 ILE 29 -12.345 -6.910 16.303 177 H ASN 30 HN ASN 30 -6.869 -4.131 17.247 178 HA ASN 30 HA ASN 30 -4.989 -4.593 15.276 179 1HB ASN 30 2HB ASN 30 -4.917 -2.499 16.476 180 2HB ASN 30 3HB ASN 30 -4.867 -3.299 18.035 181 1HD2 ASN 30 1HD2 ASN 30 -3.097 -1.788 15.669 182 2HD2 ASN 30 2HD2 ASN 30 -1.495 -2.294 16.088 183 H GLU 31 HN GLU 31 -5.127 -5.551 18.790 184 HA GLU 31 HA GLU 31 -2.757 -6.986 18.756 185 1HB GLU 31 2HB GLU 31 -3.961 -6.166 20.803 186 2HB GLU 31 3HB GLU 31 -5.189 -7.390 20.553 187 1HG GLU 31 2HG GLU 31 -2.374 -8.397 20.563 188 2HG GLU 31 3HG GLU 31 -2.941 -7.757 22.093 189 H TYR 32 HN TYR 32 -6.055 -7.777 17.734 190 HA TYR 32 HA TYR 32 -5.631 -10.606 17.718 191 1HB TYR 32 2HB TYR 32 -7.909 -9.913 17.889 192 2HB TYR 32 3HB TYR 32 -7.651 -8.507 16.876 193 HD1 TYR 32 HD1 TYR 32 -8.960 -8.548 14.970 194 HD2 TYR 32 HD2 TYR 32 -7.261 -12.216 16.374 195 HE1 TYR 32 HE1 TYR 32 -9.987 -9.786 13.001 196 HE2 TYR 32 HE2 TYR 32 -8.294 -13.441 14.400 197 HH TYR 32 HH TYR 32 -9.669 -13.304 12.720 198 H LEU 33 HN LEU 33 -5.176 -7.890 15.462 199 HA LEU 33 HA LEU 33 -4.997 -9.550 13.156 200 1HB LEU 33 2HB LEU 33 -4.910 -6.723 13.822 201 2HB LEU 33 3HB LEU 33 -3.694 -7.144 12.632 202 HG LEU 33 HG LEU 33 -5.263 -7.783 11.038 203 1HD1 LEU 33 1HD1 LEU 33 -7.028 -8.353 13.375 204 2HD1 LEU 33 2HD1 LEU 33 -7.793 -7.936 11.823 205 3HD1 LEU 33 3HD1 LEU 33 -6.687 -9.327 11.925 206 1HD2 LEU 33 1HD2 LEU 33 -5.474 -5.504 10.979 207 2HD2 LEU 33 2HD2 LEU 33 -7.165 -5.973 11.278 208 3HD2 LEU 33 3HD2 LEU 33 -6.147 -5.407 12.624 209 H MET 34 HN MET 34 -2.593 -7.814 15.250 210 HA MET 34 HA MET 34 -0.420 -8.946 13.869 211 1HB MET 34 2HB MET 34 0.909 -7.887 15.670 212 2HB MET 34 3HB MET 34 -0.369 -6.789 15.190 213 1HG MET 34 2HG MET 34 -1.657 -7.222 17.149 214 2HG MET 34 3HG MET 34 -0.834 -8.735 17.474 215 1HE MET 34 1HE MET 34 0.897 -7.804 20.304 216 2HE MET 34 2HE MET 34 0.198 -8.993 19.179 217 3HE MET 34 3HE MET 34 1.914 -8.540 19.042 218 H GLY 35 HN GLY 35 -2.560 -10.074 16.390 219 1HA GLY 35 1HA GLY 35 -0.709 -11.940 17.568 220 2HA GLY 35 2HA GLY 35 -2.430 -11.799 17.866 221 H LYS 36 HN LYS 36 -2.861 -11.834 14.774 222 HA LYS 36 HA LYS 36 -2.741 -14.753 14.577 223 1HB LYS 36 2HB LYS 36 -4.873 -13.017 14.294 224 2HB LYS 36 3HB LYS 36 -4.401 -13.308 12.632 225 1HG LYS 36 2HG LYS 36 -5.564 -15.257 12.773 226 2HG LYS 36 3HG LYS 36 -4.245 -15.862 13.755 227 1HD LYS 36 2HD LYS 36 -6.095 -14.207 15.337 228 2HD LYS 36 3HD LYS 36 -6.929 -15.540 14.563 229 1HE LYS 36 2HE LYS 36 -5.226 -17.133 15.501 230 2HE LYS 36 3HE LYS 36 -4.423 -15.794 16.297 231 1HZ LYS 36 1HZ LYS 36 -7.265 -16.165 16.762 232 2HZ LYS 36 2HZ LYS 36 -6.219 -17.170 17.514 233 3HZ LYS 36 3HZ LYS 36 -6.123 -15.558 17.760 234 H PHE 37 HN PHE 37 -2.479 -11.798 12.471 235 HA PHE 37 HA PHE 37 -1.104 -13.218 10.456 236 1HB PHE 37 2HB PHE 37 -1.476 -10.268 11.229 237 2HB PHE 37 3HB PHE 37 -0.642 -10.733 9.760 238 HD1 PHE 37 HD1 PHE 37 -1.904 -11.981 7.982 239 HD2 PHE 37 HD2 PHE 37 -3.843 -10.249 11.336 240 HE1 PHE 37 HE1 PHE 37 -4.099 -12.095 6.771 241 HE2 PHE 37 HE2 PHE 37 -6.039 -10.363 10.125 242 HZ PHE 37 HZ PHE 37 -6.141 -11.284 7.857 243 HA PRO 38 HA PRO 38 2.790 -13.012 12.491 244 1HB PRO 38 2HB PRO 38 4.103 -14.761 10.854 245 2HB PRO 38 3HB PRO 38 3.174 -15.269 12.250 246 1HG PRO 38 2HG PRO 38 2.472 -15.466 9.385 247 2HG PRO 38 3HG PRO 38 1.781 -16.327 10.746 248 1HD PRO 38 2HD PRO 38 0.616 -14.111 9.348 249 2HD PRO 38 3HD PRO 38 -0.018 -14.897 10.780 250 H PHE 39 HN PHE 39 2.235 -12.564 9.088 251 HA PHE 39 HA PHE 39 4.743 -11.439 8.540 252 1HB PHE 39 2HB PHE 39 2.444 -12.222 7.183 253 2HB PHE 39 3HB PHE 39 2.254 -10.481 7.130 254 HD1 PHE 39 HD1 PHE 39 3.110 -9.395 5.293 255 HD2 PHE 39 HD2 PHE 39 4.938 -13.017 6.537 256 HE1 PHE 39 HE1 PHE 39 4.669 -9.283 3.329 257 HE2 PHE 39 HE2 PHE 39 6.496 -12.905 4.573 258 HZ PHE 39 HZ PHE 39 6.343 -11.040 2.992 259 H PHE 40 HN PHE 40 1.723 -10.137 9.916 260 HA PHE 40 HA PHE 40 2.430 -7.419 9.501 261 1HB PHE 40 2HB PHE 40 0.367 -9.121 10.870 262 2HB PHE 40 3HB PHE 40 0.618 -7.564 11.635 263 HD1 PHE 40 HD1 PHE 40 0.957 -8.109 8.005 264 HD2 PHE 40 HD2 PHE 40 -1.532 -6.667 11.125 265 HE1 PHE 40 HE1 PHE 40 -0.547 -7.032 6.308 266 HE2 PHE 40 HE2 PHE 40 -3.036 -5.590 9.428 267 HZ PHE 40 HZ PHE 40 -2.525 -5.786 7.039 268 H ARG 41 HN ARG 41 2.825 -9.812 12.153 269 HA ARG 41 HA ARG 41 3.912 -7.758 13.836 270 1HB ARG 41 2HB ARG 41 4.048 -9.558 15.543 271 2HB ARG 41 3HB ARG 41 2.452 -9.516 14.821 272 1HG ARG 41 2HG ARG 41 2.682 -11.594 13.892 273 2HG ARG 41 3HG ARG 41 4.312 -11.269 13.337 274 1HD ARG 41 2HD ARG 41 5.293 -11.944 15.388 275 2HD ARG 41 3HD ARG 41 3.821 -11.677 16.300 276 HE ARG 41 HE ARG 41 3.594 -13.766 14.241 277 1HH1 ARG 41 2HH2 ARG 41 4.377 -13.056 17.598 278 2HH1 ARG 41 1HH2 ARG 41 4.089 -14.676 18.141 279 1HH2 ARG 41 2HH1 ARG 41 3.214 -15.903 14.957 280 2HH2 ARG 41 1HH1 ARG 41 3.424 -16.306 16.628 281 H GLY 42 HN GLY 42 5.244 -8.619 11.248 282 1HA GLY 42 1HA GLY 42 7.882 -9.203 12.402 283 2HA GLY 42 2HA GLY 42 7.269 -10.237 11.127 284 H SER 43 HN SER 43 5.901 -8.386 9.473 285 HA SER 43 HA SER 43 8.095 -7.309 8.103 286 1HB SER 43 2HB SER 43 5.084 -7.116 7.753 287 2HB SER 43 3HB SER 43 6.172 -6.233 6.701 288 HG SER 43 HG SER 43 6.751 -8.053 5.696 289 H TYR 44 HN TYR 44 5.093 -5.518 9.097 290 HA TYR 44 HA TYR 44 6.509 -3.626 10.659 291 1HB TYR 44 2HB TYR 44 6.692 -1.877 9.058 292 2HB TYR 44 3HB TYR 44 6.943 -3.257 8.008 293 HD1 TYR 44 HD1 TYR 44 4.949 -0.359 8.631 294 HD2 TYR 44 HD2 TYR 44 4.859 -4.223 6.797 295 HE1 TYR 44 HE1 TYR 44 2.965 0.354 7.210 296 HE2 TYR 44 HE2 TYR 44 2.875 -3.497 5.382 297 HH TYR 44 HH TYR 44 1.033 -1.809 5.600 298 H THR 45 HN THR 45 5.056 -2.875 12.122 299 HA THR 45 HA THR 45 2.225 -3.206 11.470 300 HB THR 45 HB THR 45 3.615 -2.597 14.130 301 HG1 THR 45 HG1 THR 45 4.171 -4.647 12.870 302 1HG2 THR 45 1HG2 THR 45 0.858 -3.664 13.343 303 2HG2 THR 45 2HG2 THR 45 1.531 -3.831 14.982 304 3HG2 THR 45 3HG2 THR 45 1.213 -2.214 14.311 305 H GLY 46 HN GLY 46 3.536 -1.139 10.048 306 1HA GLY 46 1HA GLY 46 2.698 1.301 11.467 307 2HA GLY 46 2HA GLY 46 3.777 1.209 10.090 308 H TRP 47 HN TRP 47 0.530 -0.313 10.672 309 HA TRP 47 HA TRP 47 -0.463 1.239 8.385 310 1HB TRP 47 2HB TRP 47 -1.876 -0.960 8.032 311 2HB TRP 47 3HB TRP 47 -0.310 -0.721 7.282 312 HD1 TRP 47 HD1 TRP 47 1.288 -2.758 7.595 313 HE1 TRP 47 HE1 TRP 47 1.610 -4.791 9.246 314 HE3 TRP 47 HE3 TRP 47 -2.430 -1.424 10.797 315 HZ2 TRP 47 HZ2 TRP 47 0.302 -5.595 11.652 316 HZ3 TRP 47 HZ3 TRP 47 -2.842 -2.887 12.772 317 HH2 TRP 47 HH2 TRP 47 -1.547 -4.910 13.224 318 H ARG 48 HN ARG 48 -0.493 1.308 11.511 319 HA ARG 48 HA ARG 48 -2.930 0.535 12.434 320 1HB ARG 48 2HB ARG 48 -1.279 1.292 14.009 321 2HB ARG 48 3HB ARG 48 -1.078 2.830 13.193 322 1HG ARG 48 2HG ARG 48 -2.973 3.757 14.158 323 2HG ARG 48 3HG ARG 48 -3.844 2.237 14.178 324 1HD ARG 48 2HD ARG 48 -3.392 2.193 16.416 325 2HD ARG 48 3HD ARG 48 -1.770 1.714 15.956 326 HE ARG 48 HE ARG 48 -2.596 4.335 16.960 327 1HH1 ARG 48 2HH2 ARG 48 -0.164 2.616 15.086 328 2HH1 ARG 48 1HH2 ARG 48 1.066 3.806 15.350 329 1HH2 ARG 48 2HH1 ARG 48 -0.973 5.906 17.309 330 2HH2 ARG 48 1HH1 ARG 48 0.603 5.691 16.623 331 H ASN 49 HN ASN 49 -1.926 3.669 10.911 332 HA ASN 49 HA ASN 49 -4.537 4.740 11.145 333 1HB ASN 49 2HB ASN 49 -2.045 5.838 10.790 334 2HB ASN 49 3HB ASN 49 -2.608 5.866 9.131 335 1HD2 ASN 49 1HD2 ASN 49 -2.546 8.150 9.276 336 2HD2 ASN 49 2HD2 ASN 49 -3.833 9.051 10.006 337 H SER 50 HN SER 50 -2.464 3.216 8.611 338 HA SER 50 HA SER 50 -4.072 3.739 6.443 339 1HB SER 50 2HB SER 50 -1.844 1.928 7.114 340 2HB SER 50 3HB SER 50 -2.925 1.236 5.921 341 HG SER 50 HG SER 50 -1.789 3.894 5.722 342 H VAL 51 HN VAL 51 -3.970 0.866 8.663 343 HA VAL 51 HA VAL 51 -6.082 -0.482 7.381 344 HB VAL 51 HB VAL 51 -4.701 -0.671 10.042 345 1HG1 VAL 51 1HG1 VAL 51 -6.082 -2.942 10.114 346 2HG1 VAL 51 2HG1 VAL 51 -6.719 -1.438 10.820 347 3HG1 VAL 51 3HG1 VAL 51 -7.267 -1.968 9.212 348 1HG2 VAL 51 1HG2 VAL 51 -4.707 -3.096 8.541 349 2HG2 VAL 51 2HG2 VAL 51 -4.306 -1.767 7.428 350 3HG2 VAL 51 3HG2 VAL 51 -3.339 -2.016 8.901 351 H ARG 52 HN ARG 52 -5.907 1.685 10.277 352 HA ARG 52 HA ARG 52 -8.498 1.455 11.045 353 1HB ARG 52 2HB ARG 52 -6.381 3.576 11.272 354 2HB ARG 52 3HB ARG 52 -8.017 4.082 11.642 355 1HG ARG 52 2HG ARG 52 -8.170 2.027 13.195 356 2HG ARG 52 3HG ARG 52 -6.445 1.828 12.963 357 1HD ARG 52 2HD ARG 52 -5.992 4.046 13.910 358 2HD ARG 52 3HD ARG 52 -7.702 4.427 13.962 359 HE ARG 52 HE ARG 52 -7.247 2.008 15.440 360 1HH1 ARG 52 2HH2 ARG 52 -6.659 5.472 15.647 361 2HH1 ARG 52 1HH2 ARG 52 -6.646 5.495 17.379 362 1HH2 ARG 52 2HH1 ARG 52 -7.231 2.039 17.725 363 2HH2 ARG 52 1HH1 ARG 52 -6.974 3.530 18.568 364 H HIS 53 HN HIS 53 -7.020 3.517 8.489 365 HA HIS 53 HA HIS 53 -9.347 5.012 7.980 366 1HB HIS 53 2HB HIS 53 -6.776 5.314 7.331 367 2HB HIS 53 3HB HIS 53 -7.304 4.540 5.851 368 HD1 HIS 53 HD1 HIS 53 -6.494 7.706 6.574 369 HD2 HIS 53 HD2 HIS 53 -10.209 6.095 5.479 370 HE1 HIS 53 HE1 HIS 53 -7.854 9.637 5.609 371 H ASN 54 HN ASN 54 -7.795 2.264 6.167 372 HA ASN 54 HA ASN 54 -9.805 1.986 4.335 373 1HB ASN 54 2HB ASN 54 -7.826 0.007 5.550 374 2HB ASN 54 3HB ASN 54 -8.955 -0.506 4.312 375 1HD2 ASN 54 1HD2 ASN 54 -5.980 -0.159 4.421 376 2HD2 ASN 54 2HD2 ASN 54 -5.560 0.798 3.040 377 H LEU 55 HN LEU 55 -9.668 1.222 7.751 378 HA LEU 55 HA LEU 55 -11.677 -0.823 7.673 379 1HB LEU 55 2HB LEU 55 -9.820 -0.713 9.326 380 2HB LEU 55 3HB LEU 55 -10.555 0.721 10.015 381 HG LEU 55 HG LEU 55 -12.598 -1.226 9.964 382 1HD1 LEU 55 1HD1 LEU 55 -10.343 -2.683 9.730 383 2HD1 LEU 55 2HD1 LEU 55 -10.418 -2.518 11.501 384 3HD1 LEU 55 3HD1 LEU 55 -11.788 -3.230 10.615 385 1HD2 LEU 55 1HD2 LEU 55 -12.715 0.241 11.713 386 2HD2 LEU 55 2HD2 LEU 55 -12.004 -1.165 12.541 387 3HD2 LEU 55 3HD2 LEU 55 -10.965 0.187 12.029 388 H SER 56 HN SER 56 -11.471 2.705 8.321 389 HA SER 56 HA SER 56 -14.147 2.874 9.170 390 1HB SER 56 2HB SER 56 -13.458 4.936 9.777 391 2HB SER 56 3HB SER 56 -11.893 4.573 9.076 392 HG SER 56 HG SER 56 -14.149 5.726 7.667 393 H LEU 57 HN LEU 57 -12.394 3.469 6.063 394 HA LEU 57 HA LEU 57 -14.817 4.226 4.724 395 1HB LEU 57 2HB LEU 57 -13.470 4.640 2.863 396 2HB LEU 57 3HB LEU 57 -12.537 5.153 4.255 397 HG LEU 57 HG LEU 57 -11.677 2.557 3.925 398 1HD1 LEU 57 1HD1 LEU 57 -11.100 2.391 1.493 399 2HD1 LEU 57 2HD1 LEU 57 -12.828 2.185 1.865 400 3HD1 LEU 57 3HD1 LEU 57 -12.241 3.723 1.189 401 1HD2 LEU 57 1HD2 LEU 57 -10.135 4.249 4.418 402 2HD2 LEU 57 2HD2 LEU 57 -9.671 3.680 2.796 403 3HD2 LEU 57 3HD2 LEU 57 -10.577 5.201 2.981 404 H ASN 58 HN ASN 58 -13.800 1.345 5.961 405 HA ASN 58 HA ASN 58 -14.197 -0.305 3.705 406 1HB ASN 58 2HB ASN 58 -13.246 -0.607 6.370 407 2HB ASN 58 3HB ASN 58 -14.676 -1.617 6.295 408 1HD2 ASN 58 1HD2 ASN 58 -14.854 -3.184 4.582 409 2HD2 ASN 58 2HD2 ASN 58 -13.438 -3.934 3.925 410 H ASP 59 HN ASP 59 -15.965 -0.340 6.889 411 HA ASP 59 HA ASP 59 -18.324 -1.209 5.559 412 1HB ASP 59 2HB ASP 59 -17.272 -1.104 8.276 413 2HB ASP 59 3HB ASP 59 -18.898 -0.451 8.257 414 H CYS 60 HN CYS 60 -16.943 1.761 6.990 415 HA CYS 60 HA CYS 60 -17.526 3.877 6.595 416 1HB CYS 60 2HB CYS 60 -19.132 2.684 4.694 417 2HB CYS 60 3HB CYS 60 -20.308 3.512 5.696 418 HG CYS 60 HG CYS 60 -19.739 5.804 5.230 419 H PHE 61 HN PHE 61 -17.478 3.104 9.074 420 HA PHE 61 HA PHE 61 -20.109 3.759 10.204 421 1HB PHE 61 2HB PHE 61 -18.945 2.443 12.218 422 2HB PHE 61 3HB PHE 61 -19.635 1.524 10.895 423 HD1 PHE 61 HD1 PHE 61 -16.388 3.291 11.487 424 HD2 PHE 61 HD2 PHE 61 -18.349 -0.275 10.285 425 HE1 PHE 61 HE1 PHE 61 -14.162 2.204 11.082 426 HE2 PHE 61 HE2 PHE 61 -16.123 -1.363 9.880 427 HZ PHE 61 HZ PHE 61 -14.056 -0.110 10.284 428 H VAL 62 HN VAL 62 -19.252 4.089 12.887 429 HA VAL 62 HA VAL 62 -17.480 6.418 12.608 430 HB VAL 62 HB VAL 62 -19.976 6.770 13.074 431 1HG1 VAL 62 1HG1 VAL 62 -19.667 6.532 15.941 432 2HG1 VAL 62 2HG1 VAL 62 -20.932 5.869 14.878 433 3HG1 VAL 62 3HG1 VAL 62 -19.432 4.952 15.156 434 1HG2 VAL 62 1HG2 VAL 62 -19.476 8.768 14.058 435 2HG2 VAL 62 2HG2 VAL 62 -18.401 8.032 15.271 436 3HG2 VAL 62 3HG2 VAL 62 -17.826 8.276 13.604 437 H LYS 63 HN LYS 63 -16.089 6.873 14.476 438 HA LYS 63 HA LYS 63 -15.604 4.442 16.054 439 1HB LYS 63 2HB LYS 63 -13.262 4.804 15.901 440 2HB LYS 63 3HB LYS 63 -13.897 4.898 14.271 441 1HG LYS 63 2HG LYS 63 -14.101 7.541 15.090 442 2HG LYS 63 3HG LYS 63 -12.661 7.024 15.946 443 1HD LYS 63 2HD LYS 63 -11.868 7.817 13.835 444 2HD LYS 63 3HD LYS 63 -11.813 6.070 13.709 445 1HE LYS 63 2HE LYS 63 -12.828 6.815 11.669 446 2HE LYS 63 3HE LYS 63 -14.148 6.182 12.633 447 1HZ LYS 63 1HZ LYS 63 -14.425 8.443 11.575 448 2HZ LYS 63 2HZ LYS 63 -14.860 8.303 13.143 449 3HZ LYS 63 3HZ LYS 63 -13.445 9.017 12.749 450 H VAL 64 HN VAL 64 -14.672 4.839 18.229 451 HA VAL 64 HA VAL 64 -15.271 7.533 19.212 452 HB VAL 64 HB VAL 64 -16.235 4.896 20.324 453 1HG1 VAL 64 1HG1 VAL 64 -15.493 6.051 22.246 454 2HG1 VAL 64 2HG1 VAL 64 -16.069 7.619 21.632 455 3HG1 VAL 64 3HG1 VAL 64 -17.239 6.383 22.152 456 1HG2 VAL 64 1HG2 VAL 64 -17.576 7.336 19.161 457 2HG2 VAL 64 2HG2 VAL 64 -17.794 5.621 18.737 458 3HG2 VAL 64 3HG2 VAL 64 -18.444 6.249 20.271 459 H LEU 65 HN LEU 65 -13.285 8.286 19.774 460 HA LEU 65 HA LEU 65 -11.839 6.840 21.781 461 1HB LEU 65 2HB LEU 65 -9.804 6.532 20.615 462 2HB LEU 65 3HB LEU 65 -11.078 5.748 19.703 463 HG LEU 65 HG LEU 65 -10.903 8.325 18.605 464 1HD1 LEU 65 1HD1 LEU 65 -8.790 9.048 18.557 465 2HD1 LEU 65 2HD1 LEU 65 -8.528 7.966 19.946 466 3HD1 LEU 65 3HD1 LEU 65 -8.136 7.412 18.300 467 1HD2 LEU 65 1HD2 LEU 65 -11.105 5.790 17.701 468 2HD2 LEU 65 2HD2 LEU 65 -10.736 7.189 16.663 469 3HD2 LEU 65 3HD2 LEU 65 -9.419 6.146 17.253 470 H ARG 66 HN ARG 66 -13.003 9.006 22.475 471 HA ARG 66 HA ARG 66 -11.015 10.770 23.078 472 1HB ARG 66 2HB ARG 66 -11.647 11.200 20.439 473 2HB ARG 66 3HB ARG 66 -12.805 12.274 21.198 474 1HG ARG 66 2HG ARG 66 -11.188 13.747 21.881 475 2HG ARG 66 3HG ARG 66 -10.099 12.470 22.386 476 1HD ARG 66 2HD ARG 66 -8.983 12.448 20.377 477 2HD ARG 66 3HD ARG 66 -10.456 12.606 19.442 478 HE ARG 66 HE ARG 66 -9.896 15.073 20.838 479 1HH1 ARG 66 2HH2 ARG 66 -8.863 13.158 18.073 480 2HH1 ARG 66 1HH2 ARG 66 -8.273 14.524 17.186 481 1HH2 ARG 66 2HH1 ARG 66 -9.118 16.875 19.668 482 2HH2 ARG 66 1HH1 ARG 66 -8.419 16.652 18.099 483 H ASP 67 HN ASP 67 -11.963 10.901 25.127 484 HA ASP 67 HA ASP 67 -13.953 12.691 25.581 485 1HB ASP 67 2HB ASP 67 -15.113 10.376 24.554 486 2HB ASP 67 3HB ASP 67 -15.232 10.101 26.281 487 HA PRO 68 HA PRO 68 -12.446 11.683 29.574 488 1HB PRO 68 2HB PRO 68 -14.281 12.866 31.218 489 2HB PRO 68 3HB PRO 68 -13.002 13.754 30.415 490 1HG PRO 68 2HG PRO 68 -15.884 13.664 29.765 491 2HG PRO 68 3HG PRO 68 -14.683 14.839 29.269 492 1HD PRO 68 2HD PRO 68 -15.778 12.724 27.670 493 2HD PRO 68 3HD PRO 68 -14.495 13.827 27.213 494 H SER 69 HN SER 69 -13.318 9.429 28.555 495 HA SER 69 HA SER 69 -13.910 7.953 30.753 496 1HB SER 69 2HB SER 69 -16.210 9.354 30.088 497 2HB SER 69 3HB SER 69 -16.464 7.838 29.247 498 HG SER 69 HG SER 69 -17.155 7.174 31.172 499 H ARG 70 HN ARG 70 -12.168 6.989 29.360 500 HA ARG 70 HA ARG 70 -12.952 4.732 28.148 501 1HB ARG 70 2HB ARG 70 -13.360 6.996 26.363 502 2HB ARG 70 3HB ARG 70 -12.110 5.967 25.694 503 1HG ARG 70 2HG ARG 70 -13.556 4.203 25.325 504 2HG ARG 70 3HG ARG 70 -14.485 4.516 26.778 505 1HD ARG 70 2HD ARG 70 -14.698 6.625 24.671 506 2HD ARG 70 3HD ARG 70 -15.373 5.070 24.230 507 HE ARG 70 HE ARG 70 -16.420 5.424 26.735 508 1HH1 ARG 70 2HH2 ARG 70 -16.264 7.550 23.936 509 2HH1 ARG 70 1HH2 ARG 70 -17.723 8.395 24.336 510 1HH2 ARG 70 2HH1 ARG 70 -18.344 6.537 27.264 511 2HH2 ARG 70 1HH1 ARG 70 -18.914 7.815 26.242 512 HA PRO 71 HA PRO 71 -8.472 5.901 27.043 513 1HB PRO 71 2HB PRO 71 -7.608 8.473 27.364 514 2HB PRO 71 3HB PRO 71 -8.173 7.836 25.832 515 1HG PRO 71 2HG PRO 71 -9.552 9.666 27.700 516 2HG PRO 71 3HG PRO 71 -9.896 9.359 26.010 517 1HD PRO 71 2HD PRO 71 -11.352 8.353 28.267 518 2HD PRO 71 3HD PRO 71 -11.624 7.955 26.582 519 H TRP 72 HN TRP 72 -9.281 4.820 29.285 520 HA TRP 72 HA TRP 72 -7.891 6.219 31.428 521 1HB TRP 72 2HB TRP 72 -10.220 4.673 31.291 522 2HB TRP 72 3HB TRP 72 -9.058 3.662 32.127 523 HD1 TRP 72 HD1 TRP 72 -10.359 7.341 32.454 524 HE1 TRP 72 HE1 TRP 72 -10.484 8.049 34.993 525 HE3 TRP 72 HE3 TRP 72 -8.436 3.011 34.300 526 HZ2 TRP 72 HZ2 TRP 72 -9.781 6.748 37.434 527 HZ3 TRP 72 HZ3 TRP 72 -8.188 2.811 36.773 528 HH2 TRP 72 HH2 TRP 72 -8.825 4.591 38.323 529 H GLY 73 HN GLY 73 -7.711 3.415 29.237 530 1HA GLY 73 1HA GLY 73 -5.284 2.473 30.617 531 2HA GLY 73 2HA GLY 73 -6.280 1.547 29.512 532 H LYS 74 HN LYS 74 -6.220 2.028 27.190 533 HA LYS 74 HA LYS 74 -4.730 3.995 26.008 534 1HB LYS 74 2HB LYS 74 -2.993 2.224 27.341 535 2HB LYS 74 3HB LYS 74 -2.880 1.792 25.647 536 1HG LYS 74 2HG LYS 74 -2.880 4.578 25.538 537 2HG LYS 74 3HG LYS 74 -2.002 4.269 27.023 538 1HD LYS 74 2HD LYS 74 -1.180 2.472 24.822 539 2HD LYS 74 3HD LYS 74 -0.937 4.164 24.436 540 1HE LYS 74 2HE LYS 74 1.026 3.931 25.591 541 2HE LYS 74 3HE LYS 74 0.023 4.105 27.017 542 1HZ LYS 74 1HZ LYS 74 1.359 2.145 27.158 543 2HZ LYS 74 2HZ LYS 74 -0.209 1.700 27.053 544 3HZ LYS 74 3HZ LYS 74 0.769 1.559 25.753 545 H ASP 75 HN ASP 75 -7.178 2.647 25.639 546 HA ASP 75 HA ASP 75 -6.773 1.819 22.943 547 1HB ASP 75 2HB ASP 75 -8.260 -0.281 23.391 548 2HB ASP 75 3HB ASP 75 -6.551 -0.378 23.768 549 H ASN 76 HN ASN 76 -9.048 1.456 21.887 550 HA ASN 76 HA ASN 76 -11.203 2.527 23.459 551 1HB ASN 76 2HB ASN 76 -11.631 3.997 21.192 552 2HB ASN 76 3HB ASN 76 -10.789 4.635 22.591 553 1HD2 ASN 76 1HD2 ASN 76 -10.409 3.081 19.458 554 2HD2 ASN 76 2HD2 ASN 76 -8.798 3.619 19.118 555 H TYR 77 HN TYR 77 -13.141 2.821 21.479 556 HA TYR 77 HA TYR 77 -12.931 0.493 19.729 557 1HB TYR 77 2HB TYR 77 -15.466 0.198 20.624 558 2HB TYR 77 3HB TYR 77 -14.137 -0.504 21.525 559 HD1 TYR 77 HD1 TYR 77 -16.424 2.424 21.368 560 HD2 TYR 77 HD2 TYR 77 -13.632 0.215 23.740 561 HE1 TYR 77 HE1 TYR 77 -17.107 3.754 23.424 562 HE2 TYR 77 HE2 TYR 77 -14.324 1.552 25.788 563 HH TYR 77 HH TYR 77 -17.042 3.755 25.668 564 H TRP 78 HN TRP 78 -14.762 0.448 18.104 565 HA TRP 78 HA TRP 78 -15.581 3.211 17.516 566 1HB TRP 78 2HB TRP 78 -15.082 0.973 15.548 567 2HB TRP 78 3HB TRP 78 -15.508 2.630 15.171 568 HD1 TRP 78 HD1 TRP 78 -13.032 2.797 17.906 569 HE1 TRP 78 HE1 TRP 78 -10.576 3.302 17.083 570 HE3 TRP 78 HE3 TRP 78 -13.922 1.844 12.992 571 HZ2 TRP 78 HZ2 TRP 78 -9.310 3.247 14.526 572 HZ3 TRP 78 HZ3 TRP 78 -12.022 2.093 11.398 573 HH2 TRP 78 HH2 TRP 78 -9.779 2.768 12.095 574 H MET 79 HN MET 79 -17.683 3.207 16.112 575 HA MET 79 HA MET 79 -19.404 1.049 17.058 576 1HB MET 79 2HB MET 79 -19.899 3.061 18.378 577 2HB MET 79 3HB MET 79 -19.906 4.070 16.945 578 1HG MET 79 2HG MET 79 -21.818 2.031 16.418 579 2HG MET 79 3HG MET 79 -22.085 2.483 18.090 580 1HE MET 79 1HE MET 79 -23.208 2.740 14.992 581 2HE MET 79 2HE MET 79 -23.930 4.347 14.733 582 3HE MET 79 3HE MET 79 -22.242 4.043 14.259 583 H LEU 80 HN LEU 80 -19.986 -0.125 15.279 584 HA LEU 80 HA LEU 80 -20.660 1.412 12.866 585 1HB LEU 80 2HB LEU 80 -19.934 -0.551 11.574 586 2HB LEU 80 3HB LEU 80 -18.638 0.244 12.448 587 HG LEU 80 HG LEU 80 -19.967 -2.091 13.759 588 1HD1 LEU 80 1HD1 LEU 80 -18.214 -3.541 12.516 589 2HD1 LEU 80 2HD1 LEU 80 -19.746 -3.142 11.703 590 3HD1 LEU 80 3HD1 LEU 80 -18.261 -2.254 11.288 591 1HD2 LEU 80 1HD2 LEU 80 -18.342 -1.305 15.150 592 2HD2 LEU 80 2HD2 LEU 80 -17.373 -2.452 14.193 593 3HD2 LEU 80 3HD2 LEU 80 -17.321 -0.712 13.817 594 H ASN 81 HN ASN 81 -22.501 0.699 11.658 595 HA ASN 81 HA ASN 81 -24.026 -1.444 12.793 596 1HB ASN 81 2HB ASN 81 -26.087 -0.017 13.042 597 2HB ASN 81 3HB ASN 81 -24.819 0.453 14.157 598 1HD2 ASN 81 1HD2 ASN 81 -25.292 2.545 14.424 599 2HD2 ASN 81 2HD2 ASN 81 -25.259 3.754 13.184 600 HA PRO 82 HA PRO 82 -25.249 -1.563 8.584 601 1HB PRO 82 2HB PRO 82 -27.584 -2.979 8.689 602 2HB PRO 82 3HB PRO 82 -26.003 -3.731 8.763 603 1HG PRO 82 2HG PRO 82 -27.943 -3.276 10.947 604 2HG PRO 82 3HG PRO 82 -26.580 -4.377 10.901 605 1HD PRO 82 2HD PRO 82 -26.708 -1.860 12.271 606 2HD PRO 82 3HD PRO 82 -25.309 -2.905 12.128 Start of MODEL 15 1 H TYR 8 HN TYR 8 5.099 -8.937 3.887 2 HA TYR 8 HA TYR 8 4.001 -9.522 6.474 3 1HB TYR 8 2HB TYR 8 3.223 -8.568 3.726 4 2HB TYR 8 3HB TYR 8 1.953 -9.444 4.556 5 HD1 TYR 8 HD1 TYR 8 0.550 -8.316 6.049 6 HD2 TYR 8 HD2 TYR 8 4.347 -6.608 5.066 7 HE1 TYR 8 HE1 TYR 8 -0.059 -6.206 7.331 8 HE2 TYR 8 HE2 TYR 8 3.726 -4.505 6.351 9 HH TYR 8 HH TYR 8 2.231 -3.491 7.524 10 H ILE 9 HN ILE 9 4.008 -11.062 3.193 11 HA ILE 9 HA ILE 9 2.344 -13.181 3.830 12 HB ILE 9 HB ILE 9 2.946 -12.543 1.572 13 1HG1 ILE 9 2HG1 ILE 9 3.999 -15.182 1.264 14 2HG1 ILE 9 3HG1 ILE 9 2.866 -15.212 2.601 15 1HG2 ILE 9 1HG2 ILE 9 5.290 -11.924 1.982 16 2HG2 ILE 9 2HG2 ILE 9 5.704 -13.645 2.176 17 3HG2 ILE 9 3HG2 ILE 9 5.120 -13.042 0.606 18 1HD1 ILE 9 1HD1 ILE 9 1.052 -14.531 1.273 19 2HD1 ILE 9 2HD1 ILE 9 2.101 -13.751 0.065 20 3HD1 ILE 9 3HD1 ILE 9 1.985 -15.526 0.129 21 H ALA 10 HN ALA 10 5.954 -12.910 4.023 22 HA ALA 10 HA ALA 10 6.308 -15.510 5.026 23 1HB ALA 10 1HB ALA 10 8.064 -13.049 5.383 24 2HB ALA 10 2HB ALA 10 8.574 -14.752 5.485 25 3HB ALA 10 3HB ALA 10 8.045 -14.073 3.927 26 H LEU 11 HN LEU 11 5.452 -12.384 6.491 27 HA LEU 11 HA LEU 11 6.101 -13.044 9.134 28 1HB LEU 11 2HB LEU 11 5.815 -10.807 8.805 29 2HB LEU 11 3HB LEU 11 4.434 -11.011 7.745 30 HG LEU 11 HG LEU 11 3.721 -11.931 10.374 31 1HD1 LEU 11 1HD1 LEU 11 4.982 -10.620 11.677 32 2HD1 LEU 11 2HD1 LEU 11 5.462 -9.565 10.325 33 3HD1 LEU 11 3HD1 LEU 11 3.903 -9.309 11.144 34 1HD2 LEU 11 1HD2 LEU 11 2.672 -9.371 9.268 35 2HD2 LEU 11 2HD2 LEU 11 2.427 -10.851 8.311 36 3HD2 LEU 11 3HD2 LEU 11 1.813 -10.758 9.979 37 H ILE 12 HN ILE 12 3.146 -13.534 7.132 38 HA ILE 12 HA ILE 12 1.615 -14.558 9.275 39 HB ILE 12 HB ILE 12 1.311 -14.841 6.283 40 1HG1 ILE 12 2HG1 ILE 12 1.104 -12.584 6.557 41 2HG1 ILE 12 3HG1 ILE 12 -0.548 -13.070 6.880 42 1HG2 ILE 12 1HG2 ILE 12 -1.042 -15.033 8.073 43 2HG2 ILE 12 2HG2 ILE 12 -0.671 -15.886 6.556 44 3HG2 ILE 12 3HG2 ILE 12 0.073 -16.421 8.082 45 1HD1 ILE 12 1HD1 ILE 12 1.591 -12.593 9.007 46 2HD1 ILE 12 2HD1 ILE 12 0.266 -11.478 8.599 47 3HD1 ILE 12 3HD1 ILE 12 -0.097 -13.062 9.325 48 H THR 13 HN THR 13 3.058 -16.252 6.395 49 HA THR 13 HA THR 13 2.634 -18.812 7.152 50 HB THR 13 HB THR 13 4.728 -17.329 5.578 51 HG1 THR 13 HG1 THR 13 3.046 -19.704 5.201 52 1HG2 THR 13 1HG2 THR 13 5.676 -19.636 4.943 53 2HG2 THR 13 2HG2 THR 13 6.192 -19.024 6.532 54 3HG2 THR 13 3HG2 THR 13 4.918 -20.262 6.427 55 H MET 14 HN MET 14 5.074 -16.570 8.494 56 HA MET 14 HA MET 14 6.357 -18.627 9.948 57 1HB MET 14 2HB MET 14 7.544 -16.554 9.313 58 2HB MET 14 3HB MET 14 6.358 -15.567 10.143 59 1HG MET 14 2HG MET 14 7.046 -16.885 12.299 60 2HG MET 14 3HG MET 14 8.435 -17.421 11.375 61 1HE MET 14 1HE MET 14 7.350 -13.036 12.211 62 2HE MET 14 2HE MET 14 6.246 -14.345 11.725 63 3HE MET 14 3HE MET 14 6.909 -14.307 13.376 64 H ALA 15 HN ALA 15 3.742 -16.261 10.579 65 HA ALA 15 HA ALA 15 3.677 -16.674 13.376 66 1HB ALA 15 1HB ALA 15 1.642 -15.380 13.270 67 2HB ALA 15 2HB ALA 15 2.782 -14.687 12.092 68 3HB ALA 15 3HB ALA 15 1.449 -15.726 11.535 69 H ILE 16 HN ILE 16 2.122 -18.210 10.531 70 HA ILE 16 HA ILE 16 0.405 -19.811 12.173 71 HB ILE 16 HB ILE 16 1.050 -20.186 9.255 72 1HG1 ILE 16 2HG1 ILE 16 0.522 -17.862 9.463 73 2HG1 ILE 16 3HG1 ILE 16 -0.878 -18.680 8.797 74 1HG2 ILE 16 1HG2 ILE 16 -0.497 -21.684 10.970 75 2HG2 ILE 16 2HG2 ILE 16 -1.688 -20.604 10.206 76 3HG2 ILE 16 3HG2 ILE 16 -0.646 -21.636 9.197 77 1HD1 ILE 16 1HD1 ILE 16 -0.614 -18.220 11.790 78 2HD1 ILE 16 2HD1 ILE 16 -1.289 -16.977 10.711 79 3HD1 ILE 16 3HD1 ILE 16 -2.086 -18.562 10.849 80 H ARG 17 HN ARG 17 3.665 -19.991 10.823 81 HA ARG 17 HA ARG 17 3.993 -22.691 10.747 82 1HB ARG 17 2HB ARG 17 5.648 -20.352 10.648 83 2HB ARG 17 3HB ARG 17 6.388 -21.420 11.823 84 1HG ARG 17 2HG ARG 17 5.489 -22.907 9.452 85 2HG ARG 17 3HG ARG 17 6.584 -21.611 9.012 86 1HD ARG 17 2HD ARG 17 7.359 -23.291 11.385 87 2HD ARG 17 3HD ARG 17 7.459 -24.055 9.811 88 HE ARG 17 HE ARG 17 8.671 -21.471 9.627 89 1HH1 ARG 17 2HH2 ARG 17 9.236 -24.606 11.121 90 2HH1 ARG 17 1HH2 ARG 17 10.960 -24.434 11.132 91 1HH2 ARG 17 2HH1 ARG 17 10.945 -21.242 9.641 92 2HH2 ARG 17 1HH1 ARG 17 11.938 -22.507 10.285 93 H ASP 18 HN ASP 18 3.364 -20.652 13.466 94 HA ASP 18 HA ASP 18 4.806 -22.093 15.393 95 1HB ASP 18 2HB ASP 18 3.766 -19.704 15.512 96 2HB ASP 18 3HB ASP 18 2.252 -20.507 15.879 97 H SER 19 HN SER 19 1.700 -22.437 13.730 98 HA SER 19 HA SER 19 0.439 -24.018 15.666 99 1HB SER 19 2HB SER 19 -1.319 -23.953 14.217 100 2HB SER 19 3HB SER 19 -0.350 -22.774 13.356 101 HG SER 19 HG SER 19 0.267 -24.293 11.852 102 H ALA 20 HN ALA 20 2.000 -24.852 12.479 103 HA ALA 20 HA ALA 20 3.397 -26.592 12.073 104 1HB ALA 20 1HB ALA 20 4.009 -28.157 13.686 105 2HB ALA 20 2HB ALA 20 3.517 -26.781 14.702 106 3HB ALA 20 3HB ALA 20 2.404 -28.148 14.455 107 H GLY 21 HN GLY 21 0.918 -26.085 10.922 108 1HA GLY 21 1HA GLY 21 -0.775 -27.036 9.786 109 2HA GLY 21 2HA GLY 21 0.280 -28.429 9.651 110 H GLY 22 HN GLY 22 -1.617 -26.847 12.331 111 1HA GLY 22 1HA GLY 22 -3.215 -29.243 12.658 112 2HA GLY 22 2HA GLY 22 -2.084 -28.930 13.959 113 H ARG 23 HN ARG 23 -2.123 -26.636 14.926 114 HA ARG 23 HA ARG 23 -4.498 -25.165 14.488 115 1HB ARG 23 2HB ARG 23 -5.456 -25.414 16.748 116 2HB ARG 23 3HB ARG 23 -5.359 -26.985 15.979 117 1HG ARG 23 2HG ARG 23 -4.306 -27.641 17.898 118 2HG ARG 23 3HG ARG 23 -2.892 -26.871 17.206 119 1HD ARG 23 2HD ARG 23 -3.938 -24.667 18.312 120 2HD ARG 23 3HD ARG 23 -4.770 -25.823 19.332 121 HE ARG 23 HE ARG 23 -2.011 -26.562 19.221 122 1HH1 ARG 23 2HH2 ARG 23 -4.058 -24.010 20.517 123 2HH1 ARG 23 1HH2 ARG 23 -2.986 -23.641 21.827 124 1HH2 ARG 23 2HH1 ARG 23 -0.597 -26.076 20.949 125 2HH2 ARG 23 1HH1 ARG 23 -1.005 -24.824 22.074 126 H LEU 24 HN LEU 24 -4.491 -23.113 15.809 127 HA LEU 24 HA LEU 24 -2.234 -22.583 17.467 128 1HB LEU 24 2HB LEU 24 -1.349 -20.753 16.009 129 2HB LEU 24 3HB LEU 24 -0.985 -22.390 15.502 130 HG LEU 24 HG LEU 24 -2.360 -22.280 13.636 131 1HD1 LEU 24 1HD1 LEU 24 -4.439 -21.651 14.588 132 2HD1 LEU 24 2HD1 LEU 24 -3.836 -20.033 15.021 133 3HD1 LEU 24 3HD1 LEU 24 -4.083 -20.463 13.312 134 1HD2 LEU 24 1HD2 LEU 24 -0.416 -20.442 13.876 135 2HD2 LEU 24 2HD2 LEU 24 -1.398 -20.645 12.406 136 3HD2 LEU 24 3HD2 LEU 24 -1.802 -19.366 13.575 137 H THR 25 HN THR 25 -2.264 -20.106 18.043 138 HA THR 25 HA THR 25 -5.099 -19.307 18.151 139 HB THR 25 HB THR 25 -4.700 -18.592 20.397 140 HG1 THR 25 HG1 THR 25 -2.281 -18.588 21.021 141 1HG2 THR 25 1HG2 THR 25 -3.727 -20.454 21.562 142 2HG2 THR 25 2HG2 THR 25 -4.392 -21.168 20.074 143 3HG2 THR 25 3HG2 THR 25 -2.648 -20.840 20.201 144 H LEU 26 HN LEU 26 -5.566 -17.656 16.852 145 HA LEU 26 HA LEU 26 -3.581 -16.077 15.668 146 1HB LEU 26 2HB LEU 26 -6.516 -16.243 15.710 147 2HB LEU 26 3HB LEU 26 -5.891 -14.633 15.413 148 HG LEU 26 HG LEU 26 -6.339 -15.806 13.328 149 1HD1 LEU 26 1HD1 LEU 26 -3.511 -15.875 12.911 150 2HD1 LEU 26 2HD1 LEU 26 -4.688 -14.625 12.441 151 3HD1 LEU 26 3HD1 LEU 26 -3.893 -14.547 14.032 152 1HD2 LEU 26 1HD2 LEU 26 -5.179 -17.799 12.644 153 2HD2 LEU 26 2HD2 LEU 26 -4.227 -17.816 14.148 154 3HD2 LEU 26 3HD2 LEU 26 -5.982 -18.106 14.203 155 H ALA 27 HN ALA 27 -5.329 -15.875 18.731 156 HA ALA 27 HA ALA 27 -4.990 -13.139 19.203 157 1HB ALA 27 1HB ALA 27 -5.524 -15.609 20.825 158 2HB ALA 27 2HB ALA 27 -5.064 -14.118 21.682 159 3HB ALA 27 3HB ALA 27 -6.505 -14.136 20.637 160 H GLU 28 HN GLU 28 -2.982 -16.017 20.135 161 HA GLU 28 HA GLU 28 -0.997 -14.359 21.269 162 1HB GLU 28 2HB GLU 28 -1.575 -16.835 21.815 163 2HB GLU 28 3HB GLU 28 -0.619 -17.248 20.405 164 1HG GLU 28 2HG GLU 28 1.379 -16.679 21.413 165 2HG GLU 28 3HG GLU 28 0.683 -15.323 22.278 166 H ILE 29 HN ILE 29 -1.562 -15.923 18.100 167 HA ILE 29 HA ILE 29 0.984 -15.668 17.044 168 HB ILE 29 HB ILE 29 -1.680 -16.273 16.144 169 1HG1 ILE 29 2HG1 ILE 29 -0.100 -17.402 14.316 170 2HG1 ILE 29 3HG1 ILE 29 1.141 -17.019 15.492 171 1HG2 ILE 29 1HG2 ILE 29 -0.009 -14.567 14.280 172 2HG2 ILE 29 2HG2 ILE 29 -1.391 -15.570 13.776 173 3HG2 ILE 29 3HG2 ILE 29 -1.639 -14.214 14.901 174 1HD1 ILE 29 1HD1 ILE 29 -1.363 -18.699 15.936 175 2HD1 ILE 29 2HD1 ILE 29 0.333 -19.231 16.024 176 3HD1 ILE 29 3HD1 ILE 29 -0.322 -18.139 17.268 177 H ASN 30 HN ASN 30 -1.820 -13.367 16.902 178 HA ASN 30 HA ASN 30 -0.325 -11.423 15.561 179 1HB ASN 30 2HB ASN 30 -2.822 -11.492 15.552 180 2HB ASN 30 3HB ASN 30 -2.853 -11.175 17.276 181 1HD2 ASN 30 1HD2 ASN 30 -4.266 -9.519 15.849 182 2HD2 ASN 30 2HD2 ASN 30 -3.527 -7.966 15.648 183 H GLU 31 HN GLU 31 -0.902 -12.317 18.966 184 HA GLU 31 HA GLU 31 -0.266 -9.971 20.210 185 1HB GLU 31 2HB GLU 31 -1.168 -11.960 21.365 186 2HB GLU 31 3HB GLU 31 0.326 -12.832 21.088 187 1HG GLU 31 2HG GLU 31 1.499 -11.638 22.704 188 2HG GLU 31 3HG GLU 31 0.576 -10.169 22.451 189 H TYR 32 HN TYR 32 1.898 -12.613 19.023 190 HA TYR 32 HA TYR 32 4.250 -11.253 19.951 191 1HB TYR 32 2HB TYR 32 5.185 -13.336 19.361 192 2HB TYR 32 3HB TYR 32 3.507 -13.841 19.379 193 HD1 TYR 32 HD1 TYR 32 5.937 -12.241 16.998 194 HD2 TYR 32 HD2 TYR 32 2.735 -15.026 17.543 195 HE1 TYR 32 HE1 TYR 32 6.111 -12.930 14.557 196 HE2 TYR 32 HE2 TYR 32 2.919 -15.705 15.100 197 HH TYR 32 HH TYR 32 5.274 -15.455 13.335 198 H LEU 33 HN LEU 33 2.390 -11.568 16.911 199 HA LEU 33 HA LEU 33 4.292 -10.723 15.118 200 1HB LEU 33 2HB LEU 33 1.600 -11.337 15.100 201 2HB LEU 33 3HB LEU 33 1.618 -9.647 14.634 202 HG LEU 33 HG LEU 33 3.281 -10.226 12.837 203 1HD1 LEU 33 1HD1 LEU 33 2.749 -13.002 13.877 204 2HD1 LEU 33 2HD1 LEU 33 3.218 -12.721 12.183 205 3HD1 LEU 33 3HD1 LEU 33 4.300 -12.212 13.502 206 1HD2 LEU 33 1HD2 LEU 33 0.436 -10.952 12.951 207 2HD2 LEU 33 2HD2 LEU 33 1.336 -9.987 11.756 208 3HD2 LEU 33 3HD2 LEU 33 1.347 -11.764 11.656 209 H MET 34 HN MET 34 2.059 -8.756 17.178 210 HA MET 34 HA MET 34 3.233 -6.351 16.202 211 1HB MET 34 2HB MET 34 0.787 -6.945 17.205 212 2HB MET 34 3HB MET 34 1.548 -6.501 18.720 213 1HG MET 34 2HG MET 34 2.341 -4.454 16.947 214 2HG MET 34 3HG MET 34 0.678 -4.774 16.497 215 1HE MET 34 1HE MET 34 2.217 -3.633 20.659 216 2HE MET 34 2HE MET 34 1.941 -5.365 20.357 217 3HE MET 34 3HE MET 34 3.098 -4.460 19.353 218 H GLY 35 HN GLY 35 3.572 -8.509 19.020 219 1HA GLY 35 1HA GLY 35 5.091 -6.654 20.594 220 2HA GLY 35 2HA GLY 35 4.849 -8.365 20.887 221 H LYS 36 HN LYS 36 5.794 -8.185 17.682 222 HA LYS 36 HA LYS 36 8.616 -8.499 18.435 223 1HB LYS 36 2HB LYS 36 7.453 -10.588 17.719 224 2HB LYS 36 3HB LYS 36 7.130 -9.850 16.164 225 1HG LYS 36 2HG LYS 36 9.847 -9.383 16.423 226 2HG LYS 36 3HG LYS 36 9.686 -10.913 17.261 227 1HD LYS 36 2HD LYS 36 8.380 -11.776 15.227 228 2HD LYS 36 3HD LYS 36 8.824 -10.297 14.399 229 1HE LYS 36 2HE LYS 36 11.047 -10.917 14.174 230 2HE LYS 36 3HE LYS 36 11.082 -11.768 15.705 231 1HZ LYS 36 1HZ LYS 36 10.119 -13.618 14.762 232 2HZ LYS 36 2HZ LYS 36 9.520 -12.816 13.471 233 3HZ LYS 36 3HZ LYS 36 11.122 -13.113 13.576 234 H PHE 37 HN PHE 37 6.352 -7.476 15.793 235 HA PHE 37 HA PHE 37 8.477 -6.014 14.521 236 1HB PHE 37 2HB PHE 37 5.484 -6.519 14.132 237 2HB PHE 37 3HB PHE 37 6.290 -5.312 13.150 238 HD1 PHE 37 HD1 PHE 37 6.368 -8.911 14.048 239 HD2 PHE 37 HD2 PHE 37 7.500 -5.938 11.239 240 HE1 PHE 37 HE1 PHE 37 7.103 -10.701 12.449 241 HE2 PHE 37 HE2 PHE 37 8.235 -7.729 9.641 242 HZ PHE 37 HZ PHE 37 8.027 -10.089 10.265 243 HA PRO 38 HA PRO 38 7.516 -2.440 16.884 244 1HB PRO 38 2HB PRO 38 9.658 -0.937 16.095 245 2HB PRO 38 3HB PRO 38 9.722 -2.070 17.430 246 1HG PRO 38 2HG PRO 38 10.836 -2.351 14.707 247 2HG PRO 38 3HG PRO 38 11.240 -3.250 16.156 248 1HD PRO 38 2HD PRO 38 9.614 -4.154 13.973 249 2HD PRO 38 3HD PRO 38 9.923 -5.006 15.473 250 H PHE 39 HN PHE 39 8.292 -2.395 13.478 251 HA PHE 39 HA PHE 39 7.290 0.156 12.978 252 1HB PHE 39 2HB PHE 39 8.706 -1.447 11.516 253 2HB PHE 39 3HB PHE 39 7.246 -2.372 11.224 254 HD1 PHE 39 HD1 PHE 39 6.005 -1.899 9.335 255 HD2 PHE 39 HD2 PHE 39 8.510 1.130 10.934 256 HE1 PHE 39 HE1 PHE 39 5.453 -0.415 7.387 257 HE2 PHE 39 HE2 PHE 39 7.959 2.614 8.986 258 HZ PHE 39 HZ PHE 39 6.437 1.823 7.236 259 H PHE 40 HN PHE 40 5.705 -3.015 13.367 260 HA PHE 40 HA PHE 40 3.258 -2.236 12.186 261 1HB PHE 40 2HB PHE 40 4.459 -4.445 13.841 262 2HB PHE 40 3HB PHE 40 2.723 -4.281 14.010 263 HD1 PHE 40 HD1 PHE 40 2.089 -6.313 12.968 264 HD2 PHE 40 HD2 PHE 40 4.594 -3.583 10.901 265 HE1 PHE 40 HE1 PHE 40 1.759 -7.615 10.848 266 HE2 PHE 40 HE2 PHE 40 4.264 -4.885 8.781 267 HZ PHE 40 HZ PHE 40 2.850 -6.886 8.780 268 H ARG 41 HN ARG 41 4.496 -2.382 15.584 269 HA ARG 41 HA ARG 41 2.003 -1.400 16.551 270 1HB ARG 41 2HB ARG 41 3.179 -1.438 18.780 271 2HB ARG 41 3HB ARG 41 3.275 -2.973 17.940 272 1HG ARG 41 2HG ARG 41 5.556 -2.552 17.232 273 2HG ARG 41 3HG ARG 41 5.470 -0.870 17.717 274 1HD ARG 41 2HD ARG 41 4.863 -2.050 20.108 275 2HD ARG 41 3HD ARG 41 5.849 -3.318 19.408 276 HE ARG 41 HE ARG 41 7.732 -1.962 19.684 277 1HH1 ARG 41 2HH2 ARG 41 4.851 0.055 19.794 278 2HH1 ARG 41 1HH2 ARG 41 5.717 1.492 20.223 279 1HH2 ARG 41 2HH1 ARG 41 8.876 -0.067 20.250 280 2HH2 ARG 41 1HH1 ARG 41 8.022 1.422 20.485 281 H GLY 42 HN GLY 42 4.227 0.092 14.748 282 1HA GLY 42 1HA GLY 42 4.330 2.553 16.385 283 2HA GLY 42 2HA GLY 42 5.500 2.101 15.162 284 H SER 43 HN SER 43 3.938 1.258 13.010 285 HA SER 43 HA SER 43 3.102 3.741 12.015 286 1HB SER 43 2HB SER 43 2.949 0.893 10.965 287 2HB SER 43 3HB SER 43 2.279 2.234 10.057 288 HG SER 43 HG SER 43 4.427 3.250 10.148 289 H TYR 44 HN TYR 44 1.172 0.662 12.011 290 HA TYR 44 HA TYR 44 -0.991 1.934 13.418 291 1HB TYR 44 2HB TYR 44 -2.488 1.945 11.516 292 2HB TYR 44 3HB TYR 44 -0.992 2.569 10.851 293 HD1 TYR 44 HD1 TYR 44 0.674 0.503 10.071 294 HD2 TYR 44 HD2 TYR 44 -3.603 0.431 10.171 295 HE1 TYR 44 HE1 TYR 44 0.657 -1.339 8.319 296 HE2 TYR 44 HE2 TYR 44 -3.606 -1.411 8.418 297 HH TYR 44 HH TYR 44 -0.968 -3.218 7.701 298 H THR 45 HN THR 45 -1.850 0.396 14.719 299 HA THR 45 HA THR 45 -1.287 -2.388 14.079 300 HB THR 45 HB THR 45 -0.768 -1.514 16.342 301 HG1 THR 45 HG1 THR 45 -1.517 -3.680 16.321 302 1HG2 THR 45 1HG2 THR 45 -3.688 -0.689 16.216 303 2HG2 THR 45 2HG2 THR 45 -2.973 -1.155 17.778 304 3HG2 THR 45 3HG2 THR 45 -2.301 0.218 16.866 305 H GLY 46 HN GLY 46 -3.085 -1.097 12.273 306 1HA GLY 46 1HA GLY 46 -5.647 -2.359 13.045 307 2HA GLY 46 2HA GLY 46 -5.487 -0.961 12.000 308 H TRP 47 HN TRP 47 -3.956 -4.262 12.206 309 HA TRP 47 HA TRP 47 -4.734 -4.641 9.401 310 1HB TRP 47 2HB TRP 47 -2.466 -5.967 9.338 311 2HB TRP 47 3HB TRP 47 -2.549 -4.254 8.976 312 HD1 TRP 47 HD1 TRP 47 -0.794 -2.824 10.277 313 HE1 TRP 47 HE1 TRP 47 0.701 -3.017 12.443 314 HE3 TRP 47 HE3 TRP 47 -2.705 -7.271 11.837 315 HZ2 TRP 47 HZ2 TRP 47 0.911 -4.964 14.520 316 HZ3 TRP 47 HZ3 TRP 47 -1.799 -8.249 13.944 317 HH2 TRP 47 HH2 TRP 47 -0.054 -7.169 15.271 318 H ARG 48 HN ARG 48 -5.772 -5.400 12.204 319 HA ARG 48 HA ARG 48 -5.134 -8.049 12.666 320 1HB ARG 48 2HB ARG 48 -6.235 -6.685 14.376 321 2HB ARG 48 3HB ARG 48 -7.620 -6.405 13.341 322 1HG ARG 48 2HG ARG 48 -8.437 -8.608 13.596 323 2HG ARG 48 3HG ARG 48 -6.865 -9.255 14.022 324 1HD ARG 48 2HD ARG 48 -7.557 -9.127 16.191 325 2HD ARG 48 3HD ARG 48 -7.305 -7.398 16.059 326 HE ARG 48 HE ARG 48 -9.858 -7.823 14.993 327 1HH1 ARG 48 2HH2 ARG 48 -8.274 -8.460 18.070 328 2HH1 ARG 48 1HH2 ARG 48 -9.733 -8.326 18.994 329 1HH2 ARG 48 2HH1 ARG 48 -11.783 -7.646 16.212 330 2HH2 ARG 48 1HH1 ARG 48 -11.742 -7.860 17.930 331 H ASN 49 HN ASN 49 -7.836 -6.481 10.827 332 HA ASN 49 HA ASN 49 -9.009 -8.948 10.150 333 1HB ASN 49 2HB ASN 49 -9.307 -6.158 8.919 334 2HB ASN 49 3HB ASN 49 -10.343 -7.516 8.525 335 1HD2 ASN 49 1HD2 ASN 49 -11.606 -5.414 9.399 336 2HD2 ASN 49 2HD2 ASN 49 -12.156 -5.560 11.035 337 H SER 50 HN SER 50 -6.626 -6.682 8.724 338 HA SER 50 HA SER 50 -6.674 -7.784 6.152 339 1HB SER 50 2HB SER 50 -5.747 -5.498 6.952 340 2HB SER 50 3HB SER 50 -4.304 -6.371 7.430 341 HG SER 50 HG SER 50 -5.387 -5.993 4.792 342 H VAL 51 HN VAL 51 -4.392 -8.151 8.962 343 HA VAL 51 HA VAL 51 -2.714 -10.005 7.769 344 HB VAL 51 HB VAL 51 -2.457 -8.655 9.913 345 1HG1 VAL 51 1HG1 VAL 51 -4.548 -9.387 10.995 346 2HG1 VAL 51 2HG1 VAL 51 -3.914 -11.047 11.090 347 3HG1 VAL 51 3HG1 VAL 51 -3.123 -9.739 12.002 348 1HG2 VAL 51 1HG2 VAL 51 -1.565 -11.458 9.410 349 2HG2 VAL 51 2HG2 VAL 51 -0.617 -9.959 9.554 350 3HG2 VAL 51 3HG2 VAL 51 -1.233 -10.766 11.016 351 H ARG 52 HN ARG 52 -5.646 -10.502 9.849 352 HA ARG 52 HA ARG 52 -5.540 -13.228 9.858 353 1HB ARG 52 2HB ARG 52 -7.703 -11.163 10.193 354 2HB ARG 52 3HB ARG 52 -8.234 -12.815 9.950 355 1HG ARG 52 2HG ARG 52 -7.182 -13.590 11.928 356 2HG ARG 52 3HG ARG 52 -6.060 -12.245 11.982 357 1HD ARG 52 2HD ARG 52 -7.513 -11.464 13.593 358 2HD ARG 52 3HD ARG 52 -8.388 -10.850 12.205 359 HE ARG 52 HE ARG 52 -9.171 -13.110 13.907 360 1HH1 ARG 52 2HH2 ARG 52 -9.605 -11.549 10.784 361 2HH1 ARG 52 1HH2 ARG 52 -11.156 -12.264 10.498 362 1HH2 ARG 52 2HH1 ARG 52 -11.217 -14.054 13.532 363 2HH2 ARG 52 1HH1 ARG 52 -12.080 -13.699 12.072 364 H HIS 53 HN HIS 53 -6.921 -10.935 7.453 365 HA HIS 53 HA HIS 53 -8.348 -12.745 5.938 366 1HB HIS 53 2HB HIS 53 -8.419 -10.257 5.779 367 2HB HIS 53 3HB HIS 53 -6.862 -10.285 4.976 368 HD1 HIS 53 HD1 HIS 53 -9.959 -12.467 4.344 369 HD2 HIS 53 HD2 HIS 53 -7.444 -9.758 2.361 370 HE1 HIS 53 HE1 HIS 53 -10.739 -12.413 1.916 371 H ASN 54 HN ASN 54 -4.945 -11.560 5.438 372 HA ASN 54 HA ASN 54 -4.452 -13.303 3.344 373 1HB ASN 54 2HB ASN 54 -2.818 -11.596 5.203 374 2HB ASN 54 3HB ASN 54 -1.945 -12.876 4.384 375 1HD2 ASN 54 1HD2 ASN 54 -0.783 -11.707 2.984 376 2HD2 ASN 54 2HD2 ASN 54 -1.427 -10.730 1.707 377 H LEU 55 HN LEU 55 -4.394 -13.607 6.881 378 HA LEU 55 HA LEU 55 -2.661 -15.735 7.196 379 1HB LEU 55 2HB LEU 55 -4.031 -14.183 8.851 380 2HB LEU 55 3HB LEU 55 -5.135 -15.544 8.851 381 HG LEU 55 HG LEU 55 -2.552 -16.636 9.236 382 1HD1 LEU 55 1HD1 LEU 55 -2.891 -13.984 10.540 383 2HD1 LEU 55 2HD1 LEU 55 -2.215 -15.302 11.527 384 3HD1 LEU 55 3HD1 LEU 55 -1.418 -14.829 10.008 385 1HD2 LEU 55 1HD2 LEU 55 -4.847 -16.168 11.159 386 2HD2 LEU 55 2HD2 LEU 55 -4.594 -17.587 10.115 387 3HD2 LEU 55 3HD2 LEU 55 -3.466 -17.253 11.451 388 H SER 56 HN SER 56 -6.256 -15.773 6.673 389 HA SER 56 HA SER 56 -6.173 -18.603 6.363 390 1HB SER 56 2HB SER 56 -8.244 -18.132 7.199 391 2HB SER 56 3HB SER 56 -8.225 -16.488 6.593 392 HG SER 56 HG SER 56 -8.988 -17.167 4.593 393 H LEU 57 HN LEU 57 -6.074 -15.703 4.330 394 HA LEU 57 HA LEU 57 -6.739 -17.127 1.926 395 1HB LEU 57 2HB LEU 57 -7.085 -14.606 2.622 396 2HB LEU 57 3HB LEU 57 -5.470 -14.423 1.967 397 HG LEU 57 HG LEU 57 -6.578 -15.751 -0.086 398 1HD1 LEU 57 1HD1 LEU 57 -8.900 -14.213 1.110 399 2HD1 LEU 57 2HD1 LEU 57 -8.867 -15.008 -0.483 400 3HD1 LEU 57 3HD1 LEU 57 -8.763 -15.985 1.002 401 1HD2 LEU 57 1HD2 LEU 57 -7.360 -13.104 -0.578 402 2HD2 LEU 57 2HD2 LEU 57 -5.991 -12.995 0.555 403 3HD2 LEU 57 3HD2 LEU 57 -5.806 -13.873 -0.982 404 H ASN 58 HN ASN 58 -4.148 -17.314 3.954 405 HA ASN 58 HA ASN 58 -2.221 -17.373 1.785 406 1HB ASN 58 2HB ASN 58 -1.385 -16.123 3.669 407 2HB ASN 58 3HB ASN 58 -1.990 -17.294 4.823 408 1HD2 ASN 58 1HD2 ASN 58 -0.250 -18.011 5.827 409 2HD2 ASN 58 2HD2 ASN 58 1.148 -18.721 5.091 410 H ASP 59 HN ASP 59 -2.371 -19.209 4.910 411 HA ASP 59 HA ASP 59 -1.449 -21.548 3.775 412 1HB ASP 59 2HB ASP 59 -1.877 -20.630 6.323 413 2HB ASP 59 3HB ASP 59 -3.223 -21.744 6.183 414 H CYS 60 HN CYS 60 -4.774 -20.553 4.897 415 HA CYS 60 HA CYS 60 -6.722 -20.972 3.834 416 1HB CYS 60 2HB CYS 60 -5.302 -21.795 1.802 417 2HB CYS 60 3HB CYS 60 -5.637 -23.402 2.416 418 HG CYS 60 HG CYS 60 -7.497 -23.336 0.839 419 H PHE 61 HN PHE 61 -6.661 -21.458 6.323 420 HA PHE 61 HA PHE 61 -7.227 -24.316 6.699 421 1HB PHE 61 2HB PHE 61 -6.665 -23.377 9.204 422 2HB PHE 61 3HB PHE 61 -5.400 -23.954 8.137 423 HD1 PHE 61 HD1 PHE 61 -3.520 -22.641 8.237 424 HD2 PHE 61 HD2 PHE 61 -7.315 -20.752 8.432 425 HE1 PHE 61 HE1 PHE 61 -2.398 -20.399 8.355 426 HE2 PHE 61 HE2 PHE 61 -6.193 -18.510 8.550 427 HZ PHE 61 HZ PHE 61 -3.748 -18.360 8.510 428 H VAL 62 HN VAL 62 -8.315 -24.078 9.319 429 HA VAL 62 HA VAL 62 -10.734 -22.514 8.736 430 HB VAL 62 HB VAL 62 -10.375 -25.154 10.163 431 1HG1 VAL 62 1HG1 VAL 62 -12.796 -23.346 9.947 432 2HG1 VAL 62 2HG1 VAL 62 -12.912 -25.083 10.321 433 3HG1 VAL 62 3HG1 VAL 62 -12.028 -23.993 11.416 434 1HG2 VAL 62 1HG2 VAL 62 -10.443 -24.943 7.562 435 2HG2 VAL 62 2HG2 VAL 62 -11.452 -26.168 8.368 436 3HG2 VAL 62 3HG2 VAL 62 -12.181 -24.644 7.807 437 H LYS 63 HN LYS 63 -11.807 -21.526 10.599 438 HA LYS 63 HA LYS 63 -9.928 -21.108 12.820 439 1HB LYS 63 2HB LYS 63 -11.901 -19.011 11.954 440 2HB LYS 63 3HB LYS 63 -10.420 -18.831 12.873 441 1HG LYS 63 2HG LYS 63 -9.515 -18.170 10.878 442 2HG LYS 63 3HG LYS 63 -9.414 -19.888 10.544 443 1HD LYS 63 2HD LYS 63 -10.629 -19.335 8.675 444 2HD LYS 63 3HD LYS 63 -11.994 -19.445 9.769 445 1HE LYS 63 2HE LYS 63 -12.414 -17.213 9.612 446 2HE LYS 63 3HE LYS 63 -10.747 -16.804 9.968 447 1HZ LYS 63 1HZ LYS 63 -11.744 -16.296 7.667 448 2HZ LYS 63 2HZ LYS 63 -10.204 -16.828 7.772 449 3HZ LYS 63 3HZ LYS 63 -11.396 -17.856 7.335 450 H VAL 64 HN VAL 64 -10.927 -20.718 14.933 451 HA VAL 64 HA VAL 64 -13.622 -21.887 15.057 452 HB VAL 64 HB VAL 64 -11.161 -22.314 16.727 453 1HG1 VAL 64 1HG1 VAL 64 -13.858 -22.019 17.734 454 2HG1 VAL 64 2HG1 VAL 64 -13.282 -23.686 17.976 455 3HG1 VAL 64 3HG1 VAL 64 -12.343 -22.318 18.620 456 1HG2 VAL 64 1HG2 VAL 64 -12.136 -24.729 16.510 457 2HG2 VAL 64 2HG2 VAL 64 -13.086 -24.032 15.175 458 3HG2 VAL 64 3HG2 VAL 64 -11.307 -23.987 15.121 459 H LEU 65 HN LEU 65 -14.536 -19.735 14.875 460 HA LEU 65 HA LEU 65 -13.769 -17.644 16.572 461 1HB LEU 65 2HB LEU 65 -15.966 -18.254 14.702 462 2HB LEU 65 3HB LEU 65 -16.365 -17.108 15.966 463 HG LEU 65 HG LEU 65 -13.799 -16.490 14.720 464 1HD1 LEU 65 1HD1 LEU 65 -14.695 -15.759 12.548 465 2HD1 LEU 65 2HD1 LEU 65 -14.769 -17.526 12.749 466 3HD1 LEU 65 3HD1 LEU 65 -16.244 -16.546 12.931 467 1HD2 LEU 65 1HD2 LEU 65 -16.326 -14.834 14.810 468 2HD2 LEU 65 2HD2 LEU 65 -15.235 -15.029 16.203 469 3HD2 LEU 65 3HD2 LEU 65 -14.639 -14.276 14.704 470 H ARG 66 HN ARG 66 -13.482 -18.620 18.671 471 HA ARG 66 HA ARG 66 -14.128 -19.543 20.563 472 1HB ARG 66 2HB ARG 66 -14.655 -17.030 20.674 473 2HB ARG 66 3HB ARG 66 -16.335 -17.435 20.386 474 1HG ARG 66 2HG ARG 66 -16.632 -17.938 22.575 475 2HG ARG 66 3HG ARG 66 -15.363 -19.144 22.503 476 1HD ARG 66 2HD ARG 66 -14.409 -17.714 24.066 477 2HD ARG 66 3HD ARG 66 -13.765 -16.984 22.608 478 HE ARG 66 HE ARG 66 -16.134 -15.647 22.867 479 1HH1 ARG 66 2HH2 ARG 66 -13.586 -16.347 25.190 480 2HH1 ARG 66 1HH2 ARG 66 -13.878 -14.923 26.132 481 1HH2 ARG 66 2HH1 ARG 66 -16.520 -13.769 24.109 482 2HH2 ARG 66 1HH1 ARG 66 -15.559 -13.447 25.513 483 H ASP 67 HN ASP 67 -14.930 -21.559 19.330 484 HA ASP 67 HA ASP 67 -17.740 -21.757 18.978 485 1HB ASP 67 2HB ASP 67 -15.434 -23.155 18.108 486 2HB ASP 67 3HB ASP 67 -16.294 -24.310 19.107 487 HA PRO 68 HA PRO 68 -17.058 -24.511 22.826 488 1HB PRO 68 2HB PRO 68 -14.631 -24.509 24.083 489 2HB PRO 68 3HB PRO 68 -15.096 -25.713 22.898 490 1HG PRO 68 2HG PRO 68 -13.243 -23.430 22.593 491 2HG PRO 68 3HG PRO 68 -13.395 -24.861 21.593 492 1HD PRO 68 2HD PRO 68 -14.368 -22.232 20.986 493 2HD PRO 68 3HD PRO 68 -14.621 -23.687 20.042 494 H SER 69 HN SER 69 -16.478 -21.341 22.428 495 HA SER 69 HA SER 69 -16.927 -19.587 23.624 496 1HB SER 69 2HB SER 69 -18.692 -21.539 24.655 497 2HB SER 69 3HB SER 69 -18.004 -20.779 26.076 498 HG SER 69 HG SER 69 -19.465 -19.542 23.918 499 H ARG 70 HN ARG 70 -14.342 -20.209 23.750 500 HA ARG 70 HA ARG 70 -13.191 -21.018 26.029 501 1HB ARG 70 2HB ARG 70 -12.401 -18.956 23.952 502 2HB ARG 70 3HB ARG 70 -11.368 -19.180 25.349 503 1HG ARG 70 2HG ARG 70 -10.709 -21.309 24.706 504 2HG ARG 70 3HG ARG 70 -12.257 -21.690 23.978 505 1HD ARG 70 2HD ARG 70 -10.637 -21.497 22.177 506 2HD ARG 70 3HD ARG 70 -11.697 -20.106 22.075 507 HE ARG 70 HE ARG 70 -9.859 -18.738 22.502 508 1HH1 ARG 70 2HH2 ARG 70 -9.165 -21.962 23.731 509 2HH1 ARG 70 1HH2 ARG 70 -7.538 -21.577 24.185 510 1HH2 ARG 70 2HH1 ARG 70 -7.713 -18.230 23.101 511 2HH2 ARG 70 1HH1 ARG 70 -6.707 -19.440 23.824 512 HA PRO 71 HA PRO 71 -14.621 -17.769 28.703 513 1HB PRO 71 2HB PRO 71 -14.217 -19.093 31.060 514 2HB PRO 71 3HB PRO 71 -15.700 -19.214 30.135 515 1HG PRO 71 2HG PRO 71 -13.515 -21.187 30.399 516 2HG PRO 71 3HG PRO 71 -15.159 -21.437 29.848 517 1HD PRO 71 2HD PRO 71 -12.808 -21.274 28.213 518 2HD PRO 71 3HD PRO 71 -14.465 -21.409 27.657 519 H TRP 72 HN TRP 72 -11.630 -18.908 28.037 520 HA TRP 72 HA TRP 72 -9.991 -18.073 30.019 521 1HB TRP 72 2HB TRP 72 -9.667 -17.830 27.028 522 2HB TRP 72 3HB TRP 72 -8.378 -17.490 28.165 523 HD1 TRP 72 HD1 TRP 72 -9.327 -20.218 26.048 524 HE1 TRP 72 HE1 TRP 72 -8.545 -22.606 26.856 525 HE3 TRP 72 HE3 TRP 72 -8.326 -18.846 30.841 526 HZ2 TRP 72 HZ2 TRP 72 -7.616 -23.629 29.353 527 HZ3 TRP 72 HZ3 TRP 72 -7.485 -20.600 32.400 528 HH2 TRP 72 HH2 TRP 72 -7.128 -22.922 31.724 529 H GLY 73 HN GLY 73 -11.291 -16.034 27.296 530 1HA GLY 73 1HA GLY 73 -11.760 -13.799 28.979 531 2HA GLY 73 2HA GLY 73 -10.246 -13.601 28.118 532 H LYS 74 HN LYS 74 -10.245 -13.682 25.724 533 HA LYS 74 HA LYS 74 -12.722 -13.757 24.338 534 1HB LYS 74 2HB LYS 74 -12.939 -11.537 25.399 535 2HB LYS 74 3HB LYS 74 -11.423 -11.037 24.678 536 1HG LYS 74 2HG LYS 74 -12.378 -11.459 22.396 537 2HG LYS 74 3HG LYS 74 -13.898 -11.935 23.126 538 1HD LYS 74 2HD LYS 74 -14.365 -9.734 23.907 539 2HD LYS 74 3HD LYS 74 -12.690 -9.231 23.785 540 1HE LYS 74 2HE LYS 74 -13.984 -10.115 21.227 541 2HE LYS 74 3HE LYS 74 -14.581 -8.616 21.911 542 1HZ LYS 74 1HZ LYS 74 -12.822 -7.871 20.737 543 2HZ LYS 74 2HZ LYS 74 -12.041 -8.163 22.141 544 3HZ LYS 74 3HZ LYS 74 -11.936 -9.232 20.911 545 H ASP 75 HN ASP 75 -10.766 -15.430 23.877 546 HA ASP 75 HA ASP 75 -9.409 -14.266 21.576 547 1HB ASP 75 2HB ASP 75 -8.336 -16.414 23.466 548 2HB ASP 75 3HB ASP 75 -7.514 -15.839 22.029 549 H ASN 76 HN ASN 76 -8.393 -16.531 20.367 550 HA ASN 76 HA ASN 76 -10.090 -18.751 20.543 551 1HB ASN 76 2HB ASN 76 -10.899 -18.433 18.046 552 2HB ASN 76 3HB ASN 76 -11.786 -17.631 19.327 553 1HD2 ASN 76 1HD2 ASN 76 -9.622 -17.285 16.645 554 2HD2 ASN 76 2HD2 ASN 76 -9.653 -15.559 16.504 555 H TYR 77 HN TYR 77 -9.479 -20.368 18.711 556 HA TYR 77 HA TYR 77 -6.844 -19.693 17.590 557 1HB TYR 77 2HB TYR 77 -6.532 -22.284 18.008 558 2HB TYR 77 3HB TYR 77 -6.456 -21.240 19.413 559 HD1 TYR 77 HD1 TYR 77 -9.108 -23.020 17.425 560 HD2 TYR 77 HD2 TYR 77 -7.596 -21.975 21.288 561 HE1 TYR 77 HE1 TYR 77 -10.972 -24.354 18.524 562 HE2 TYR 77 HE2 TYR 77 -9.465 -23.313 22.374 563 HH TYR 77 HH TYR 77 -11.138 -25.574 20.922 564 H TRP 78 HN TRP 78 -6.251 -21.037 15.667 565 HA TRP 78 HA TRP 78 -8.682 -21.773 14.183 566 1HB TRP 78 2HB TRP 78 -6.085 -20.646 13.122 567 2HB TRP 78 3HB TRP 78 -7.457 -21.145 12.154 568 HD1 TRP 78 HD1 TRP 78 -8.874 -19.450 15.105 569 HE1 TRP 78 HE1 TRP 78 -9.541 -16.934 14.669 570 HE3 TRP 78 HE3 TRP 78 -6.339 -18.989 10.721 571 HZ2 TRP 78 HZ2 TRP 78 -8.947 -15.076 12.586 572 HZ3 TRP 78 HZ3 TRP 78 -6.434 -16.791 9.550 573 HH2 TRP 78 HH2 TRP 78 -7.681 -14.875 10.414 574 H MET 79 HN MET 79 -8.337 -23.581 12.597 575 HA MET 79 HA MET 79 -6.219 -25.346 13.559 576 1HB MET 79 2HB MET 79 -8.443 -26.171 14.251 577 2HB MET 79 3HB MET 79 -9.079 -25.952 12.632 578 1HG MET 79 2HG MET 79 -6.976 -27.605 12.060 579 2HG MET 79 3HG MET 79 -7.306 -28.125 13.700 580 1HE MET 79 1HE MET 79 -8.118 -30.026 10.667 581 2HE MET 79 2HE MET 79 -9.404 -29.041 9.929 582 3HE MET 79 3HE MET 79 -7.822 -28.311 10.292 583 H LEU 80 HN LEU 80 -4.666 -25.623 12.021 584 HA LEU 80 HA LEU 80 -5.578 -25.660 9.227 585 1HB LEU 80 2HB LEU 80 -3.536 -24.632 8.571 586 2HB LEU 80 3HB LEU 80 -4.305 -23.643 9.796 587 HG LEU 80 HG LEU 80 -2.229 -25.604 10.684 588 1HD1 LEU 80 1HD1 LEU 80 -0.843 -24.815 9.065 589 2HD1 LEU 80 2HD1 LEU 80 -1.723 -23.276 8.897 590 3HD1 LEU 80 3HD1 LEU 80 -0.616 -23.522 10.268 591 1HD2 LEU 80 1HD2 LEU 80 -3.615 -23.283 11.741 592 2HD2 LEU 80 2HD2 LEU 80 -2.671 -24.536 12.582 593 3HD2 LEU 80 3HD2 LEU 80 -1.849 -23.118 11.889 594 H ASN 81 HN ASN 81 -4.232 -27.045 7.773 595 HA ASN 81 HA ASN 81 -2.432 -28.862 8.854 596 1HB ASN 81 2HB ASN 81 -4.279 -29.987 9.940 597 2HB ASN 81 3HB ASN 81 -5.317 -29.805 8.539 598 1HD2 ASN 81 1HD2 ASN 81 -5.379 -31.328 7.032 599 2HD2 ASN 81 2HD2 ASN 81 -4.365 -32.730 6.951 600 HA PRO 82 HA PRO 82 -2.068 -29.006 4.467 601 1HB PRO 82 2HB PRO 82 0.114 -30.640 4.270 602 2HB PRO 82 3HB PRO 82 0.230 -28.918 4.575 603 1HG PRO 82 2HG PRO 82 0.605 -31.164 6.460 604 2HG PRO 82 3HG PRO 82 1.120 -29.497 6.622 605 1HD PRO 82 2HD PRO 82 -1.119 -30.735 7.919 606 2HD PRO 82 3HD PRO 82 -0.671 -29.042 7.990 Start of MODEL 16 1 H TYR 8 HN TYR 8 9.722 -11.531 0.965 2 HA TYR 8 HA TYR 8 11.474 -13.039 -0.609 3 1HB TYR 8 2HB TYR 8 11.447 -10.082 0.263 4 2HB TYR 8 3HB TYR 8 12.310 -10.682 -1.139 5 HD1 TYR 8 HD1 TYR 8 10.209 -8.479 -1.128 6 HD2 TYR 8 HD2 TYR 8 9.914 -12.692 -1.811 7 HE1 TYR 8 HE1 TYR 8 8.142 -8.109 -2.562 8 HE2 TYR 8 HE2 TYR 8 7.849 -12.308 -3.243 9 HH TYR 8 HH TYR 8 6.280 -9.233 -3.354 10 H ILE 9 HN ILE 9 11.816 -11.521 2.586 11 HA ILE 9 HA ILE 9 14.643 -11.486 2.582 12 HB ILE 9 HB ILE 9 13.504 -10.015 4.021 13 1HG1 ILE 9 2HG1 ILE 9 14.580 -12.184 5.840 14 2HG1 ILE 9 3HG1 ILE 9 15.609 -11.151 4.867 15 1HG2 ILE 9 1HG2 ILE 9 11.886 -12.408 4.719 16 2HG2 ILE 9 2HG2 ILE 9 12.178 -11.220 6.011 17 3HG2 ILE 9 3HG2 ILE 9 11.400 -10.711 4.493 18 1HD1 ILE 9 1HD1 ILE 9 13.808 -9.371 6.131 19 2HD1 ILE 9 2HD1 ILE 9 14.258 -10.553 7.383 20 3HD1 ILE 9 3HD1 ILE 9 15.522 -9.626 6.539 21 H ALA 10 HN ALA 10 12.132 -13.883 3.458 22 HA ALA 10 HA ALA 10 13.972 -15.663 4.694 23 1HB ALA 10 1HB ALA 10 11.377 -16.590 3.509 24 2HB ALA 10 2HB ALA 10 12.100 -16.951 5.095 25 3HB ALA 10 3HB ALA 10 11.316 -15.378 4.811 26 H LEU 11 HN LEU 11 12.207 -15.690 1.511 27 HA LEU 11 HA LEU 11 13.384 -17.928 0.471 28 1HB LEU 11 2HB LEU 11 12.521 -17.277 -1.555 29 2HB LEU 11 3HB LEU 11 11.486 -16.457 -0.404 30 HG LEU 11 HG LEU 11 12.943 -14.391 -0.753 31 1HD1 LEU 11 1HD1 LEU 11 13.846 -14.763 -3.338 32 2HD1 LEU 11 2HD1 LEU 11 14.847 -14.714 -1.868 33 3HD1 LEU 11 3HD1 LEU 11 14.303 -16.277 -2.522 34 1HD2 LEU 11 1HD2 LEU 11 11.686 -13.670 -2.644 35 2HD2 LEU 11 2HD2 LEU 11 11.446 -15.342 -3.205 36 3HD2 LEU 11 3HD2 LEU 11 10.654 -14.782 -1.712 37 H ILE 12 HN ILE 12 14.653 -14.582 0.700 38 HA ILE 12 HA ILE 12 16.884 -15.032 -0.954 39 HB ILE 12 HB ILE 12 16.020 -12.975 1.019 40 1HG1 ILE 12 2HG1 ILE 12 15.191 -12.765 -1.220 41 2HG1 ILE 12 3HG1 ILE 12 16.370 -11.498 -0.947 42 1HG2 ILE 12 1HG2 ILE 12 18.238 -11.775 0.438 43 2HG2 ILE 12 2HG2 ILE 12 18.233 -13.006 1.724 44 3HG2 ILE 12 3HG2 ILE 12 18.853 -13.412 0.105 45 1HD1 ILE 12 1HD1 ILE 12 16.407 -13.638 -2.923 46 2HD1 ILE 12 2HD1 ILE 12 17.459 -12.208 -2.801 47 3HD1 ILE 12 3HD1 ILE 12 17.876 -13.697 -1.919 48 H THR 13 HN THR 13 16.409 -15.152 2.636 49 HA THR 13 HA THR 13 18.976 -15.701 3.396 50 HB THR 13 HB THR 13 16.230 -16.543 4.412 51 HG1 THR 13 HG1 THR 13 17.071 -14.304 4.539 52 1HG2 THR 13 1HG2 THR 13 17.892 -16.765 6.592 53 2HG2 THR 13 2HG2 THR 13 17.333 -18.166 5.647 54 3HG2 THR 13 3HG2 THR 13 18.933 -17.456 5.324 55 H MET 14 HN MET 14 16.512 -18.042 2.175 56 HA MET 14 HA MET 14 18.351 -20.185 2.441 57 1HB MET 14 2HB MET 14 16.523 -21.469 1.287 58 2HB MET 14 3HB MET 14 15.888 -20.511 2.610 59 1HG MET 14 2HG MET 14 15.083 -18.785 1.077 60 2HG MET 14 3HG MET 14 15.918 -19.519 -0.278 61 1HE MET 14 1HE MET 14 14.712 -21.224 -1.883 62 2HE MET 14 2HE MET 14 12.944 -21.034 -1.794 63 3HE MET 14 3HE MET 14 13.997 -19.600 -1.741 64 H ALA 15 HN ALA 15 17.639 -17.748 0.027 65 HA ALA 15 HA ALA 15 18.437 -19.185 -2.257 66 1HB ALA 15 1HB ALA 15 17.103 -17.003 -2.084 67 2HB ALA 15 2HB ALA 15 18.663 -16.190 -1.812 68 3HB ALA 15 3HB ALA 15 18.366 -17.059 -3.337 69 H ILE 16 HN ILE 16 20.175 -17.019 0.064 70 HA ILE 16 HA ILE 16 22.658 -17.436 -1.322 71 HB ILE 16 HB ILE 16 22.371 -16.205 1.396 72 1HG1 ILE 16 2HG1 ILE 16 20.556 -15.179 0.259 73 2HG1 ILE 16 3HG1 ILE 16 21.882 -14.033 0.235 74 1HG2 ILE 16 1HG2 ILE 16 24.026 -14.903 -0.636 75 2HG2 ILE 16 2HG2 ILE 16 24.419 -15.396 1.028 76 3HG2 ILE 16 3HG2 ILE 16 24.514 -16.581 -0.297 77 1HD1 ILE 16 1HD1 ILE 16 20.500 -14.582 -1.983 78 2HD1 ILE 16 2HD1 ILE 16 22.252 -14.278 -2.054 79 3HD1 ILE 16 3HD1 ILE 16 21.637 -15.948 -2.080 80 H ARG 17 HN ARG 17 20.871 -18.788 1.439 81 HA ARG 17 HA ARG 17 22.832 -19.937 2.852 82 1HB ARG 17 2HB ARG 17 20.336 -20.059 3.297 83 2HB ARG 17 3HB ARG 17 20.206 -21.301 2.068 84 1HG ARG 17 2HG ARG 17 22.343 -22.024 3.892 85 2HG ARG 17 3HG ARG 17 20.920 -21.619 4.831 86 1HD ARG 17 2HD ARG 17 19.943 -23.590 4.271 87 2HD ARG 17 3HD ARG 17 20.066 -23.203 2.567 88 HE ARG 17 HE ARG 17 22.648 -24.022 3.503 89 1HH1 ARG 17 2HH2 ARG 17 19.462 -25.360 2.841 90 2HH1 ARG 17 1HH2 ARG 17 20.060 -26.948 2.494 91 1HH2 ARG 17 2HH1 ARG 17 23.438 -26.117 3.045 92 2HH2 ARG 17 1HH1 ARG 17 22.337 -27.381 2.611 93 H ASP 18 HN ASP 18 21.859 -20.647 -0.442 94 HA ASP 18 HA ASP 18 22.448 -23.249 -0.751 95 1HB ASP 18 2HB ASP 18 21.665 -21.639 -2.529 96 2HB ASP 18 3HB ASP 18 23.287 -20.980 -2.618 97 H SER 19 HN SER 19 24.658 -20.424 -0.444 98 HA SER 19 HA SER 19 26.973 -21.897 -1.100 99 1HB SER 19 2HB SER 19 27.125 -19.393 0.559 100 2HB SER 19 3HB SER 19 28.122 -19.888 -0.795 101 HG SER 19 HG SER 19 26.093 -18.180 -0.867 102 H ALA 20 HN ALA 20 28.470 -20.556 1.279 103 HA ALA 20 HA ALA 20 27.492 -21.817 3.620 104 1HB ALA 20 1HB ALA 20 29.702 -23.306 3.665 105 2HB ALA 20 2HB ALA 20 28.201 -23.904 2.917 106 3HB ALA 20 3HB ALA 20 29.500 -23.240 1.897 107 H GLY 21 HN GLY 21 28.403 -19.197 2.581 108 1HA GLY 21 1HA GLY 21 29.437 -17.468 3.665 109 2HA GLY 21 2HA GLY 21 30.273 -18.599 4.712 110 H GLY 22 HN GLY 22 30.157 -18.601 1.098 111 1HA GLY 22 1HA GLY 22 33.016 -17.872 1.066 112 2HA GLY 22 2HA GLY 22 32.452 -19.318 0.250 113 H ARG 23 HN ARG 23 30.517 -18.970 -1.330 114 HA ARG 23 HA ARG 23 30.274 -16.345 -2.356 115 1HB ARG 23 2HB ARG 23 31.185 -16.807 -4.610 116 2HB ARG 23 3HB ARG 23 32.437 -17.024 -3.403 117 1HG ARG 23 2HG ARG 23 32.722 -18.978 -4.646 118 2HG ARG 23 3HG ARG 23 31.619 -19.555 -3.413 119 1HD ARG 23 2HD ARG 23 30.011 -18.411 -5.507 120 2HD ARG 23 3HD ARG 23 31.209 -19.429 -6.280 121 HE ARG 23 HE ARG 23 29.022 -20.315 -4.547 122 1HH1 ARG 23 2HH2 ARG 23 32.189 -21.149 -5.835 123 2HH1 ARG 23 1HH2 ARG 23 31.970 -22.853 -5.619 124 1HH2 ARG 23 2HH1 ARG 23 28.732 -22.564 -4.261 125 2HH2 ARG 23 1HH1 ARG 23 29.990 -23.664 -4.717 126 H LEU 24 HN LEU 24 28.703 -16.336 -4.286 127 HA LEU 24 HA LEU 24 27.272 -18.811 -4.693 128 1HB LEU 24 2HB LEU 24 25.448 -18.407 -3.505 129 2HB LEU 24 3HB LEU 24 26.452 -17.293 -2.599 130 HG LEU 24 HG LEU 24 24.951 -16.330 -5.021 131 1HD1 LEU 24 1HD1 LEU 24 22.936 -16.142 -3.975 132 2HD1 LEU 24 2HD1 LEU 24 23.522 -17.635 -3.202 133 3HD1 LEU 24 3HD1 LEU 24 23.654 -16.079 -2.347 134 1HD2 LEU 24 1HD2 LEU 24 25.051 -14.531 -2.775 135 2HD2 LEU 24 2HD2 LEU 24 26.682 -15.142 -3.143 136 3HD2 LEU 24 3HD2 LEU 24 25.724 -14.342 -4.412 137 H THR 25 HN THR 25 25.610 -18.552 -6.452 138 HA THR 25 HA THR 25 26.436 -16.365 -8.248 139 HB THR 25 HB THR 25 26.043 -17.975 -10.074 140 HG1 THR 25 HG1 THR 25 24.256 -19.060 -8.920 141 1HG2 THR 25 1HG2 THR 25 28.230 -18.513 -9.439 142 2HG2 THR 25 2HG2 THR 25 27.765 -18.839 -7.752 143 3HG2 THR 25 3HG2 THR 25 27.432 -20.047 -9.016 144 H LEU 26 HN LEU 26 24.967 -14.789 -8.323 145 HA LEU 26 HA LEU 26 22.336 -15.121 -7.453 146 1HB LEU 26 2HB LEU 26 23.901 -13.021 -8.868 147 2HB LEU 26 3HB LEU 26 22.153 -12.900 -8.910 148 HG LEU 26 HG LEU 26 23.074 -11.562 -7.105 149 1HD1 LEU 26 1HD1 LEU 26 21.912 -13.483 -5.308 150 2HD1 LEU 26 2HD1 LEU 26 21.231 -11.965 -5.941 151 3HD1 LEU 26 3HD1 LEU 26 21.023 -13.482 -6.850 152 1HD2 LEU 26 1HD2 LEU 26 25.135 -12.772 -6.685 153 2HD2 LEU 26 2HD2 LEU 26 24.206 -12.597 -5.177 154 3HD2 LEU 26 3HD2 LEU 26 24.222 -14.155 -6.036 155 H ALA 27 HN ALA 27 23.931 -15.708 -10.551 156 HA ALA 27 HA ALA 27 21.647 -15.606 -12.175 157 1HB ALA 27 1HB ALA 27 24.453 -16.348 -12.350 158 2HB ALA 27 2HB ALA 27 23.439 -17.512 -13.235 159 3HB ALA 27 3HB ALA 27 23.354 -15.779 -13.629 160 H GLU 28 HN GLU 28 23.336 -18.382 -10.546 161 HA GLU 28 HA GLU 28 21.333 -20.189 -11.346 162 1HB GLU 28 2HB GLU 28 23.883 -20.486 -10.504 163 2HB GLU 28 3HB GLU 28 23.081 -20.778 -8.974 164 1HG GLU 28 2HG GLU 28 21.734 -22.584 -9.953 165 2HG GLU 28 3HG GLU 28 22.332 -22.219 -11.560 166 H ILE 29 HN ILE 29 21.923 -18.141 -8.478 167 HA ILE 29 HA ILE 29 20.133 -19.381 -6.743 168 HB ILE 29 HB ILE 29 21.658 -16.910 -6.908 169 1HG1 ILE 29 2HG1 ILE 29 21.470 -17.423 -4.299 170 2HG1 ILE 29 3HG1 ILE 29 20.920 -18.982 -4.881 171 1HG2 ILE 29 1HG2 ILE 29 19.033 -16.823 -5.394 172 2HG2 ILE 29 2HG2 ILE 29 20.328 -15.602 -5.341 173 3HG2 ILE 29 3HG2 ILE 29 19.430 -15.883 -6.852 174 1HD1 ILE 29 1HD1 ILE 29 23.541 -17.604 -5.624 175 2HD1 ILE 29 2HD1 ILE 29 23.351 -19.044 -4.594 176 3HD1 ILE 29 3HD1 ILE 29 22.973 -19.136 -6.331 177 H ASN 30 HN ASN 30 19.676 -16.645 -9.077 178 HA ASN 30 HA ASN 30 16.973 -16.354 -8.465 179 1HB ASN 30 2HB ASN 30 18.411 -14.633 -9.637 180 2HB ASN 30 3HB ASN 30 18.460 -15.662 -11.055 181 1HD2 ASN 30 1HD2 ASN 30 16.380 -16.295 -12.013 182 2HD2 ASN 30 2HD2 ASN 30 15.077 -15.154 -12.040 183 H GLU 31 HN GLU 31 18.867 -18.409 -10.688 184 HA GLU 31 HA GLU 31 16.909 -19.107 -12.470 185 1HB GLU 31 2HB GLU 31 19.421 -19.658 -12.497 186 2HB GLU 31 3HB GLU 31 19.055 -20.998 -11.428 187 1HG GLU 31 2HG GLU 31 17.243 -21.638 -13.238 188 2HG GLU 31 3HG GLU 31 18.151 -20.575 -14.295 189 H TYR 32 HN TYR 32 17.807 -20.642 -9.310 190 HA TYR 32 HA TYR 32 15.768 -22.614 -9.500 191 1HB TYR 32 2HB TYR 32 16.938 -23.337 -7.605 192 2HB TYR 32 3HB TYR 32 18.091 -22.090 -8.039 193 HD1 TYR 32 HD1 TYR 32 14.883 -22.479 -6.125 194 HD2 TYR 32 HD2 TYR 32 18.671 -20.513 -6.432 195 HE1 TYR 32 HE1 TYR 32 14.466 -21.312 -3.905 196 HE2 TYR 32 HE2 TYR 32 18.241 -19.353 -4.211 197 HH TYR 32 HH TYR 32 16.569 -18.779 -2.777 198 H LEU 33 HN LEU 33 16.038 -19.330 -8.099 199 HA LEU 33 HA LEU 33 13.849 -19.409 -6.417 200 1HB LEU 33 2HB LEU 33 15.653 -17.481 -7.498 201 2HB LEU 33 3HB LEU 33 14.026 -16.847 -7.646 202 HG LEU 33 HG LEU 33 14.441 -18.006 -5.015 203 1HD1 LEU 33 1HD1 LEU 33 16.113 -15.571 -5.275 204 2HD1 LEU 33 2HD1 LEU 33 16.284 -16.982 -4.204 205 3HD1 LEU 33 3HD1 LEU 33 16.810 -17.085 -5.901 206 1HD2 LEU 33 1HD2 LEU 33 12.856 -16.093 -6.131 207 2HD2 LEU 33 2HD2 LEU 33 13.124 -16.302 -4.383 208 3HD2 LEU 33 3HD2 LEU 33 14.067 -15.095 -5.290 209 H MET 34 HN MET 34 14.025 -18.479 -9.920 210 HA MET 34 HA MET 34 11.229 -18.147 -10.062 211 1HB MET 34 2HB MET 34 13.027 -17.065 -11.551 212 2HB MET 34 3HB MET 34 13.249 -18.623 -12.321 213 1HG MET 34 2HG MET 34 10.432 -18.139 -12.340 214 2HG MET 34 3HG MET 34 11.182 -16.625 -12.807 215 1HE MET 34 1HE MET 34 12.322 -20.583 -13.788 216 2HE MET 34 2HE MET 34 10.671 -20.207 -13.239 217 3HE MET 34 3HE MET 34 10.978 -20.565 -14.956 218 H GLY 35 HN GLY 35 13.535 -20.800 -10.786 219 1HA GLY 35 1HA GLY 35 11.688 -22.463 -12.155 220 2HA GLY 35 2HA GLY 35 13.220 -22.932 -11.443 221 H LYS 36 HN LYS 36 12.025 -21.540 -8.817 222 HA LYS 36 HA LYS 36 10.773 -24.016 -7.913 223 1HB LYS 36 2HB LYS 36 12.714 -23.306 -6.655 224 2HB LYS 36 3HB LYS 36 12.041 -21.705 -6.418 225 1HG LYS 36 2HG LYS 36 10.354 -22.489 -4.933 226 2HG LYS 36 3HG LYS 36 10.488 -24.143 -5.496 227 1HD LYS 36 2HD LYS 36 12.680 -24.400 -4.427 228 2HD LYS 36 3HD LYS 36 12.735 -22.697 -4.020 229 1HE LYS 36 2HE LYS 36 12.048 -23.783 -2.004 230 2HE LYS 36 3HE LYS 36 10.581 -23.077 -2.651 231 1HZ LYS 36 1HZ LYS 36 10.392 -25.367 -3.797 232 2HZ LYS 36 2HZ LYS 36 11.386 -25.867 -2.602 233 3HZ LYS 36 3HZ LYS 36 9.941 -25.201 -2.236 234 H PHE 37 HN PHE 37 10.339 -20.417 -7.635 235 HA PHE 37 HA PHE 37 7.696 -20.697 -6.666 236 1HB PHE 37 2HB PHE 37 9.541 -18.532 -7.757 237 2HB PHE 37 3HB PHE 37 7.846 -18.136 -7.559 238 HD1 PHE 37 HD1 PHE 37 10.976 -18.859 -5.839 239 HD2 PHE 37 HD2 PHE 37 6.844 -18.037 -5.325 240 HE1 PHE 37 HE1 PHE 37 11.377 -18.356 -3.413 241 HE2 PHE 37 HE2 PHE 37 7.246 -17.534 -2.899 242 HZ PHE 37 HZ PHE 37 9.507 -17.699 -1.972 243 HA PRO 38 HA PRO 38 5.949 -21.326 -10.649 244 1HB PRO 38 2HB PRO 38 3.446 -22.021 -9.800 245 2HB PRO 38 3HB PRO 38 4.756 -23.173 -9.963 246 1HG PRO 38 2HG PRO 38 3.620 -21.995 -7.501 247 2HG PRO 38 3HG PRO 38 4.610 -23.430 -7.676 248 1HD PRO 38 2HD PRO 38 5.465 -20.861 -6.730 249 2HD PRO 38 3HD PRO 38 6.477 -22.263 -7.014 250 H PHE 39 HN PHE 39 5.126 -19.069 -8.267 251 HA PHE 39 HA PHE 39 3.212 -17.759 -9.998 252 1HB PHE 39 2HB PHE 39 2.857 -17.889 -7.534 253 2HB PHE 39 3HB PHE 39 4.451 -17.228 -7.235 254 HD1 PHE 39 HD1 PHE 39 4.442 -15.066 -6.467 255 HD2 PHE 39 HD2 PHE 39 1.459 -16.231 -9.251 256 HE1 PHE 39 HE1 PHE 39 3.469 -12.754 -6.391 257 HE2 PHE 39 HE2 PHE 39 0.486 -13.918 -9.176 258 HZ PHE 39 HZ PHE 39 1.502 -12.208 -7.746 259 H PHE 40 HN PHE 40 6.631 -17.664 -9.195 260 HA PHE 40 HA PHE 40 6.943 -14.938 -10.067 261 1HB PHE 40 2HB PHE 40 8.687 -17.274 -9.145 262 2HB PHE 40 3HB PHE 40 9.453 -15.864 -9.850 263 HD1 PHE 40 HD1 PHE 40 10.660 -15.455 -7.763 264 HD2 PHE 40 HD2 PHE 40 6.418 -15.429 -7.875 265 HE1 PHE 40 HE1 PHE 40 10.608 -14.311 -5.530 266 HE2 PHE 40 HE2 PHE 40 6.366 -14.285 -5.642 267 HZ PHE 40 HZ PHE 40 8.462 -13.740 -4.496 268 H ARG 41 HN ARG 41 6.816 -18.112 -11.495 269 HA ARG 41 HA ARG 41 8.465 -17.331 -13.706 270 1HB ARG 41 2HB ARG 41 8.031 -19.627 -14.537 271 2HB ARG 41 3HB ARG 41 8.526 -19.675 -12.857 272 1HG ARG 41 2HG ARG 41 6.148 -19.852 -12.141 273 2HG ARG 41 3HG ARG 41 5.624 -19.747 -13.810 274 1HD ARG 41 2HD ARG 41 7.599 -21.901 -12.990 275 2HD ARG 41 3HD ARG 41 5.890 -22.123 -12.669 276 HE ARG 41 HE ARG 41 6.425 -21.290 -15.422 277 1HH1 ARG 41 2HH2 ARG 41 6.223 -24.048 -13.246 278 2HH1 ARG 41 1HH2 ARG 41 5.909 -25.187 -14.513 279 1HH2 ARG 41 2HH1 ARG 41 6.009 -22.791 -17.094 280 2HH2 ARG 41 1HH1 ARG 41 5.786 -24.467 -16.716 281 H GLY 42 HN GLY 42 5.785 -15.994 -12.973 282 1HA GLY 42 1HA GLY 42 4.344 -16.542 -15.499 283 2HA GLY 42 2HA GLY 42 3.590 -16.015 -14.007 284 H SER 43 HN SER 43 4.624 -13.867 -13.048 285 HA SER 43 HA SER 43 5.161 -12.104 -15.308 286 1HB SER 43 2HB SER 43 3.555 -11.308 -12.847 287 2HB SER 43 3HB SER 43 3.763 -10.385 -14.322 288 HG SER 43 HG SER 43 2.523 -12.995 -14.305 289 H TYR 44 HN TYR 44 5.211 -12.341 -11.673 290 HA TYR 44 HA TYR 44 7.136 -10.372 -11.279 291 1HB TYR 44 2HB TYR 44 5.502 -12.092 -9.813 292 2HB TYR 44 3HB TYR 44 7.061 -12.848 -9.549 293 HD1 TYR 44 HD1 TYR 44 7.584 -12.387 -7.314 294 HD2 TYR 44 HD2 TYR 44 6.224 -9.209 -9.835 295 HE1 TYR 44 HE1 TYR 44 8.082 -10.705 -5.474 296 HE2 TYR 44 HE2 TYR 44 6.726 -7.537 -7.986 297 HH TYR 44 HH TYR 44 7.026 -8.264 -4.935 298 H THR 45 HN THR 45 8.738 -10.747 -12.996 299 HA THR 45 HA THR 45 10.689 -12.772 -12.145 300 HB THR 45 HB THR 45 9.640 -12.194 -14.962 301 HG1 THR 45 HG1 THR 45 9.928 -14.559 -13.245 302 1HG2 THR 45 1HG2 THR 45 11.278 -14.410 -15.140 303 2HG2 THR 45 2HG2 THR 45 11.785 -12.770 -15.613 304 3HG2 THR 45 3HG2 THR 45 12.201 -13.400 -14.001 305 H GLY 46 HN GLY 46 10.011 -9.585 -12.279 306 1HA GLY 46 1HA GLY 46 12.772 -8.877 -13.075 307 2HA GLY 46 2HA GLY 46 11.379 -7.837 -13.293 308 H TRP 47 HN TRP 47 12.230 -9.920 -10.455 309 HA TRP 47 HA TRP 47 12.119 -7.492 -8.815 310 1HB TRP 47 2HB TRP 47 11.983 -9.339 -6.970 311 2HB TRP 47 3HB TRP 47 10.567 -8.856 -7.882 312 HD1 TRP 47 HD1 TRP 47 9.226 -10.868 -8.870 313 HE1 TRP 47 HE1 TRP 47 9.623 -13.406 -9.472 314 HE3 TRP 47 HE3 TRP 47 14.200 -10.884 -7.813 315 HZ2 TRP 47 HZ2 TRP 47 11.920 -15.098 -9.439 316 HZ3 TRP 47 HZ3 TRP 47 15.446 -13.021 -8.124 317 HH2 TRP 47 HH2 TRP 47 14.385 -15.079 -8.907 318 H ARG 48 HN ARG 48 14.335 -9.072 -10.577 319 HA ARG 48 HA ARG 48 16.235 -9.988 -8.855 320 1HB ARG 48 2HB ARG 48 16.055 -9.231 -11.652 321 2HB ARG 48 3HB ARG 48 17.570 -8.624 -11.015 322 1HG ARG 48 2HG ARG 48 18.349 -10.786 -10.427 323 2HG ARG 48 3HG ARG 48 16.735 -11.468 -10.388 324 1HD ARG 48 2HD ARG 48 17.403 -12.306 -12.444 325 2HD ARG 48 3HD ARG 48 16.764 -10.771 -12.995 326 HE ARG 48 HE ARG 48 19.579 -10.612 -12.213 327 1HH1 ARG 48 2HH2 ARG 48 17.368 -11.388 -14.838 328 2HH1 ARG 48 1HH2 ARG 48 18.538 -11.095 -16.081 329 1HH2 ARG 48 2HH1 ARG 48 21.124 -10.226 -13.853 330 2HH2 ARG 48 1HH1 ARG 48 20.689 -10.430 -15.517 331 H ASN 49 HN ASN 49 15.126 -6.723 -9.450 332 HA ASN 49 HA ASN 49 17.522 -5.447 -8.670 333 1HB ASN 49 2HB ASN 49 14.985 -4.687 -9.754 334 2HB ASN 49 3HB ASN 49 15.118 -3.831 -8.230 335 1HD2 ASN 49 1HD2 ASN 49 15.123 -2.693 -10.828 336 2HD2 ASN 49 2HD2 ASN 49 16.632 -1.883 -11.085 337 H SER 50 HN SER 50 14.266 -6.083 -7.170 338 HA SER 50 HA SER 50 15.024 -4.975 -4.694 339 1HB SER 50 2HB SER 50 12.704 -6.793 -5.478 340 2HB SER 50 3HB SER 50 12.864 -6.040 -3.903 341 HG SER 50 HG SER 50 12.336 -4.094 -4.715 342 H VAL 51 HN VAL 51 15.070 -8.216 -6.190 343 HA VAL 51 HA VAL 51 15.435 -9.674 -3.811 344 HB VAL 51 HB VAL 51 15.672 -10.112 -6.734 345 1HG1 VAL 51 1HG1 VAL 51 16.541 -12.511 -6.093 346 2HG1 VAL 51 2HG1 VAL 51 17.689 -11.175 -6.353 347 3HG1 VAL 51 3HG1 VAL 51 17.247 -11.660 -4.698 348 1HG2 VAL 51 1HG2 VAL 51 14.245 -11.360 -4.394 349 2HG2 VAL 51 2HG2 VAL 51 13.575 -10.669 -5.892 350 3HG2 VAL 51 3HG2 VAL 51 14.403 -12.244 -5.930 351 H ARG 52 HN ARG 52 17.775 -8.504 -6.335 352 HA ARG 52 HA ARG 52 20.009 -9.409 -5.031 353 1HB ARG 52 2HB ARG 52 19.476 -7.204 -7.042 354 2HB ARG 52 3HB ARG 52 21.082 -7.347 -6.357 355 1HG ARG 52 2HG ARG 52 21.054 -9.817 -7.038 356 2HG ARG 52 3HG ARG 52 19.556 -9.501 -7.890 357 1HD ARG 52 2HD ARG 52 22.074 -7.866 -8.421 358 2HD ARG 52 3HD ARG 52 21.753 -9.366 -9.269 359 HE ARG 52 HE ARG 52 19.452 -7.601 -9.373 360 1HH1 ARG 52 2HH2 ARG 52 22.616 -8.171 -10.804 361 2HH1 ARG 52 1HH2 ARG 52 22.218 -7.401 -12.303 362 1HH2 ARG 52 2HH1 ARG 52 18.926 -6.585 -11.351 363 2HH2 ARG 52 1HH1 ARG 52 20.105 -6.493 -12.617 364 H HIS 53 HN HIS 53 18.227 -6.275 -4.812 365 HA HIS 53 HA HIS 53 20.040 -4.889 -3.275 366 1HB HIS 53 2HB HIS 53 17.202 -4.702 -3.977 367 2HB HIS 53 3HB HIS 53 17.549 -4.038 -2.392 368 HD1 HIS 53 HD1 HIS 53 16.895 -1.699 -3.597 369 HD2 HIS 53 HD2 HIS 53 20.481 -3.491 -4.833 370 HE1 HIS 53 HE1 HIS 53 18.219 0.114 -4.810 371 H ASN 54 HN ASN 54 17.294 -7.020 -2.236 372 HA ASN 54 HA ASN 54 17.862 -6.686 0.479 373 1HB ASN 54 2HB ASN 54 15.783 -7.771 -0.966 374 2HB ASN 54 3HB ASN 54 16.572 -9.241 -0.431 375 1HD2 ASN 54 1HD2 ASN 54 16.023 -10.015 1.455 376 2HD2 ASN 54 2HD2 ASN 54 15.296 -9.157 2.772 377 H LEU 55 HN LEU 55 19.022 -8.812 -2.125 378 HA LEU 55 HA LEU 55 19.985 -10.950 -0.673 379 1HB LEU 55 2HB LEU 55 19.836 -10.406 -3.238 380 2HB LEU 55 3HB LEU 55 21.486 -9.859 -3.018 381 HG LEU 55 HG LEU 55 21.309 -12.406 -1.776 382 1HD1 LEU 55 1HD1 LEU 55 19.328 -12.978 -2.944 383 2HD1 LEU 55 2HD1 LEU 55 19.941 -12.298 -4.470 384 3HD1 LEU 55 3HD1 LEU 55 20.669 -13.778 -3.800 385 1HD2 LEU 55 1HD2 LEU 55 23.294 -11.378 -2.820 386 2HD2 LEU 55 2HD2 LEU 55 22.985 -13.028 -3.411 387 3HD2 LEU 55 3HD2 LEU 55 22.562 -11.626 -4.423 388 H SER 56 HN SER 56 21.731 -7.911 -1.638 389 HA SER 56 HA SER 56 23.885 -8.630 0.086 390 1HB SER 56 2HB SER 56 24.727 -7.474 -1.731 391 2HB SER 56 3HB SER 56 23.298 -6.475 -1.902 392 HG SER 56 HG SER 56 25.642 -6.000 -0.462 393 H LEU 57 HN LEU 57 20.942 -6.669 0.178 394 HA LEU 57 HA LEU 57 21.786 -5.149 2.465 395 1HB LEU 57 2HB LEU 57 20.283 -4.297 0.672 396 2HB LEU 57 3HB LEU 57 19.055 -5.426 1.207 397 HG LEU 57 HG LEU 57 19.686 -4.102 3.546 398 1HD1 LEU 57 1HD1 LEU 57 21.008 -2.549 1.870 399 2HD1 LEU 57 2HD1 LEU 57 19.390 -1.860 1.591 400 3HD1 LEU 57 3HD1 LEU 57 20.082 -1.871 3.231 401 1HD2 LEU 57 1HD2 LEU 57 17.524 -2.998 1.800 402 2HD2 LEU 57 2HD2 LEU 57 17.454 -4.712 2.277 403 3HD2 LEU 57 3HD2 LEU 57 17.495 -3.442 3.524 404 H ASN 58 HN ASN 58 21.169 -8.354 2.078 405 HA ASN 58 HA ASN 58 19.676 -8.520 4.568 406 1HB ASN 58 2HB ASN 58 18.602 -9.816 2.825 407 2HB ASN 58 3HB ASN 58 20.127 -10.480 2.272 408 1HD2 ASN 58 1HD2 ASN 58 17.418 -11.338 3.676 409 2HD2 ASN 58 2HD2 ASN 58 17.923 -12.570 4.785 410 H ASP 59 HN ASP 59 21.940 -10.807 2.880 411 HA ASP 59 HA ASP 59 23.110 -11.675 5.212 412 1HB ASP 59 2HB ASP 59 23.154 -12.563 2.700 413 2HB ASP 59 3HB ASP 59 24.629 -11.624 2.591 414 H CYS 60 HN CYS 60 24.259 -9.335 2.666 415 HA CYS 60 HA CYS 60 25.401 -7.429 2.984 416 1HB CYS 60 2HB CYS 60 26.333 -8.315 5.723 417 2HB CYS 60 3HB CYS 60 26.312 -6.695 5.055 418 HG CYS 60 HG CYS 60 24.260 -8.089 6.834 419 H PHE 61 HN PHE 61 26.400 -9.031 1.284 420 HA PHE 61 HA PHE 61 29.122 -9.679 2.176 421 1HB PHE 61 2HB PHE 61 28.731 -11.334 0.057 422 2HB PHE 61 3HB PHE 61 28.219 -11.802 1.667 423 HD1 PHE 61 HD1 PHE 61 26.715 -9.518 -0.883 424 HD2 PHE 61 HD2 PHE 61 26.247 -12.982 1.523 425 HE1 PHE 61 HE1 PHE 61 24.358 -9.771 -1.707 426 HE2 PHE 61 HE2 PHE 61 23.889 -13.235 0.700 427 HZ PHE 61 HZ PHE 61 22.973 -11.627 -0.905 428 H VAL 62 HN VAL 62 30.142 -10.335 -0.401 429 HA VAL 62 HA VAL 62 29.936 -7.716 -1.720 430 HB VAL 62 HB VAL 62 32.317 -9.570 -1.704 431 1HG1 VAL 62 1HG1 VAL 62 32.516 -6.622 -2.134 432 2HG1 VAL 62 2HG1 VAL 62 33.459 -7.953 -2.847 433 3HG1 VAL 62 3HG1 VAL 62 31.819 -7.603 -3.446 434 1HG2 VAL 62 1HG2 VAL 62 32.770 -7.206 -0.143 435 2HG2 VAL 62 2HG2 VAL 62 31.324 -8.038 0.477 436 3HG2 VAL 62 3HG2 VAL 62 32.870 -8.912 0.352 437 H LYS 63 HN LYS 63 29.999 -7.694 -4.050 438 HA LYS 63 HA LYS 63 29.315 -10.312 -5.197 439 1HB LYS 63 2HB LYS 63 27.808 -9.172 -6.713 440 2HB LYS 63 3HB LYS 63 27.375 -8.811 -5.055 441 1HG LYS 63 2HG LYS 63 27.421 -6.623 -5.691 442 2HG LYS 63 3HG LYS 63 29.166 -6.766 -5.609 443 1HD LYS 63 2HD LYS 63 28.911 -5.966 -7.788 444 2HD LYS 63 3HD LYS 63 28.940 -7.693 -8.086 445 1HE LYS 63 2HE LYS 63 26.557 -7.811 -8.341 446 2HE LYS 63 3HE LYS 63 26.310 -6.251 -7.582 447 1HZ LYS 63 1HZ LYS 63 26.134 -5.838 -9.825 448 2HZ LYS 63 2HZ LYS 63 27.669 -5.374 -9.516 449 3HZ LYS 63 3HZ LYS 63 27.380 -6.809 -10.241 450 H VAL 64 HN VAL 64 30.085 -10.748 -7.356 451 HA VAL 64 HA VAL 64 32.337 -9.010 -8.098 452 HB VAL 64 HB VAL 64 32.183 -11.979 -8.584 453 1HG1 VAL 64 1HG1 VAL 64 33.869 -11.222 -9.940 454 2HG1 VAL 64 2HG1 VAL 64 34.242 -9.831 -8.893 455 3HG1 VAL 64 3HG1 VAL 64 34.791 -11.461 -8.436 456 1HG2 VAL 64 1HG2 VAL 64 33.558 -10.634 -6.235 457 2HG2 VAL 64 2HG2 VAL 64 32.011 -11.510 -6.136 458 3HG2 VAL 64 3HG2 VAL 64 33.497 -12.376 -6.596 459 H LEU 65 HN LEU 65 32.389 -8.282 -10.195 460 HA LEU 65 HA LEU 65 30.084 -8.999 -11.813 461 1HB LEU 65 2HB LEU 65 31.146 -6.611 -11.223 462 2HB LEU 65 3HB LEU 65 32.058 -6.956 -12.679 463 HG LEU 65 HG LEU 65 29.037 -7.080 -12.578 464 1HD1 LEU 65 1HD1 LEU 65 29.160 -4.821 -13.727 465 2HD1 LEU 65 2HD1 LEU 65 29.506 -4.845 -11.981 466 3HD1 LEU 65 3HD1 LEU 65 30.841 -4.726 -13.152 467 1HD2 LEU 65 1HD2 LEU 65 29.064 -7.466 -14.800 468 2HD2 LEU 65 2HD2 LEU 65 30.500 -6.452 -15.075 469 3HD2 LEU 65 3HD2 LEU 65 30.687 -8.108 -14.449 470 H ARG 66 HN ARG 66 33.530 -8.265 -12.673 471 HA ARG 66 HA ARG 66 33.591 -10.828 -14.012 472 1HB ARG 66 2HB ARG 66 33.486 -8.214 -15.328 473 2HB ARG 66 3HB ARG 66 34.989 -9.023 -15.724 474 1HG ARG 66 2HG ARG 66 33.858 -10.931 -16.643 475 2HG ARG 66 3HG ARG 66 32.335 -10.499 -15.890 476 1HD ARG 66 2HD ARG 66 33.351 -8.351 -17.645 477 2HD ARG 66 3HD ARG 66 33.127 -9.858 -18.511 478 HE ARG 66 HE ARG 66 30.802 -9.626 -17.010 479 1HH1 ARG 66 2HH2 ARG 66 32.456 -7.548 -19.318 480 2HH1 ARG 66 1HH2 ARG 66 31.002 -6.786 -19.869 481 1HH2 ARG 66 2HH1 ARG 66 28.882 -8.621 -17.737 482 2HH2 ARG 66 1HH1 ARG 66 28.955 -7.400 -18.963 483 H ASP 67 HN ASP 67 35.039 -11.427 -12.234 484 HA ASP 67 HA ASP 67 37.581 -10.008 -12.334 485 1HB ASP 67 2HB ASP 67 35.992 -11.288 -10.154 486 2HB ASP 67 3HB ASP 67 37.715 -11.600 -10.082 487 HA PRO 68 HA PRO 68 39.416 -13.798 -13.561 488 1HB PRO 68 2HB PRO 68 41.873 -13.763 -12.367 489 2HB PRO 68 3HB PRO 68 41.499 -12.850 -13.815 490 1HG PRO 68 2HG PRO 68 41.811 -11.878 -11.041 491 2HG PRO 68 3HG PRO 68 41.861 -10.965 -12.536 492 1HD PRO 68 2HD PRO 68 39.687 -11.082 -10.669 493 2HD PRO 68 3HD PRO 68 39.695 -10.264 -12.219 494 H SER 69 HN SER 69 37.604 -14.855 -12.321 495 HA SER 69 HA SER 69 38.948 -16.623 -10.452 496 1HB SER 69 2HB SER 69 37.024 -14.652 -9.710 497 2HB SER 69 3HB SER 69 36.191 -16.192 -9.632 498 HG SER 69 HG SER 69 37.176 -16.471 -7.758 499 H ARG 70 HN ARG 70 35.699 -15.987 -11.983 500 HA ARG 70 HA ARG 70 35.874 -18.664 -13.081 501 1HB ARG 70 2HB ARG 70 33.593 -17.486 -11.445 502 2HB ARG 70 3HB ARG 70 33.285 -18.765 -12.603 503 1HG ARG 70 2HG ARG 70 34.010 -20.313 -11.117 504 2HG ARG 70 3HG ARG 70 35.588 -19.552 -11.072 505 1HD ARG 70 2HD ARG 70 34.875 -18.027 -9.284 506 2HD ARG 70 3HD ARG 70 33.215 -18.571 -9.417 507 HE ARG 70 HE ARG 70 34.569 -20.919 -8.907 508 1HH1 ARG 70 2HH2 ARG 70 34.520 -17.779 -7.320 509 2HH1 ARG 70 1HH2 ARG 70 34.862 -18.424 -5.750 510 1HH2 ARG 70 2HH1 ARG 70 35.021 -21.771 -6.836 511 2HH2 ARG 70 1HH1 ARG 70 35.149 -20.711 -5.472 512 HA PRO 71 HA PRO 71 34.515 -15.431 -16.044 513 1HB PRO 71 2HB PRO 71 36.600 -15.574 -17.805 514 2HB PRO 71 3HB PRO 71 36.516 -14.393 -16.513 515 1HG PRO 71 2HG PRO 71 38.175 -16.833 -16.688 516 2HG PRO 71 3HG PRO 71 38.374 -15.444 -15.639 517 1HD PRO 71 2HD PRO 71 37.320 -18.009 -14.906 518 2HD PRO 71 3HD PRO 71 37.412 -16.584 -13.890 519 H TRP 72 HN TRP 72 33.226 -17.705 -15.827 520 HA TRP 72 HA TRP 72 32.517 -18.267 -18.445 521 1HB TRP 72 2HB TRP 72 34.571 -19.339 -18.854 522 2HB TRP 72 3HB TRP 72 34.566 -20.151 -17.301 523 HD1 TRP 72 HD1 TRP 72 33.980 -22.675 -17.553 524 HE1 TRP 72 HE1 TRP 72 32.554 -24.237 -19.133 525 HE3 TRP 72 HE3 TRP 72 32.199 -18.942 -20.511 526 HZ2 TRP 72 HZ2 TRP 72 30.880 -23.746 -21.391 527 HZ3 TRP 72 HZ3 TRP 72 30.675 -19.569 -22.381 528 HH2 TRP 72 HH2 TRP 72 30.011 -21.876 -22.843 529 H GLY 73 HN GLY 73 31.304 -17.584 -15.963 530 1HA GLY 73 1HA GLY 73 30.114 -20.093 -14.997 531 2HA GLY 73 2HA GLY 73 30.070 -18.533 -14.201 532 H LYS 74 HN LYS 74 27.661 -19.531 -14.231 533 HA LYS 74 HA LYS 74 26.137 -19.502 -16.508 534 1HB LYS 74 2HB LYS 74 25.660 -19.259 -13.597 535 2HB LYS 74 3HB LYS 74 24.379 -18.629 -14.613 536 1HG LYS 74 2HG LYS 74 23.791 -20.906 -14.385 537 2HG LYS 74 3HG LYS 74 24.587 -20.867 -15.946 538 1HD LYS 74 2HD LYS 74 26.565 -21.260 -13.834 539 2HD LYS 74 3HD LYS 74 25.290 -22.452 -13.683 540 1HE LYS 74 2HE LYS 74 25.910 -23.540 -15.602 541 2HE LYS 74 3HE LYS 74 26.141 -22.047 -16.489 542 1HZ LYS 74 1HZ LYS 74 28.290 -21.967 -15.916 543 2HZ LYS 74 2HZ LYS 74 28.072 -22.594 -14.424 544 3HZ LYS 74 3HZ LYS 74 28.124 -23.580 -15.724 545 H ASP 75 HN ASP 75 27.206 -16.773 -14.430 546 HA ASP 75 HA ASP 75 26.914 -15.012 -16.597 547 1HB ASP 75 2HB ASP 75 24.516 -15.331 -15.496 548 2HB ASP 75 3HB ASP 75 25.155 -14.298 -14.233 549 H ASN 76 HN ASN 76 26.504 -14.856 -12.968 550 HA ASN 76 HA ASN 76 29.171 -13.893 -12.691 551 1HB ASN 76 2HB ASN 76 28.263 -11.821 -11.361 552 2HB ASN 76 3HB ASN 76 28.288 -11.720 -13.111 553 1HD2 ASN 76 1HD2 ASN 76 26.521 -10.964 -10.549 554 2HD2 ASN 76 2HD2 ASN 76 24.904 -11.079 -11.159 555 H TYR 77 HN TYR 77 29.683 -13.638 -10.265 556 HA TYR 77 HA TYR 77 27.680 -14.911 -8.549 557 1HB TYR 77 2HB TYR 77 29.766 -16.202 -7.635 558 2HB TYR 77 3HB TYR 77 29.182 -16.720 -9.204 559 HD1 TYR 77 HD1 TYR 77 32.033 -15.732 -7.372 560 HD2 TYR 77 HD2 TYR 77 30.312 -15.518 -11.283 561 HE1 TYR 77 HE1 TYR 77 34.336 -15.326 -8.371 562 HE2 TYR 77 HE2 TYR 77 32.620 -15.113 -12.269 563 HH TYR 77 HH TYR 77 35.225 -14.203 -10.441 564 H TRP 78 HN TRP 78 28.090 -14.558 -6.222 565 HA TRP 78 HA TRP 78 29.690 -12.123 -5.816 566 1HB TRP 78 2HB TRP 78 27.205 -13.012 -4.339 567 2HB TRP 78 3HB TRP 78 28.138 -11.563 -4.016 568 HD1 TRP 78 HD1 TRP 78 28.056 -11.787 -7.671 569 HE1 TRP 78 HE1 TRP 78 26.179 -10.316 -8.801 570 HE3 TRP 78 HE3 TRP 78 25.407 -10.957 -3.411 571 HZ2 TRP 78 HZ2 TRP 78 23.850 -9.000 -7.809 572 HZ3 TRP 78 HZ3 TRP 78 23.343 -9.569 -3.579 573 HH2 TRP 78 HH2 TRP 78 22.555 -8.604 -5.682 574 H MET 79 HN MET 79 30.565 -11.977 -3.499 575 HA MET 79 HA MET 79 31.237 -14.672 -2.597 576 1HB MET 79 2HB MET 79 33.266 -13.722 -3.464 577 2HB MET 79 3HB MET 79 32.875 -12.119 -2.873 578 1HG MET 79 2HG MET 79 33.050 -14.101 -0.688 579 2HG MET 79 3HG MET 79 34.542 -13.983 -1.598 580 1HE MET 79 1HE MET 79 35.120 -12.077 1.568 581 2HE MET 79 2HE MET 79 33.354 -12.209 1.744 582 3HE MET 79 3HE MET 79 34.294 -13.593 1.138 583 H LEU 80 HN LEU 80 30.224 -15.109 -0.687 584 HA LEU 80 HA LEU 80 30.010 -12.883 1.220 585 1HB LEU 80 2HB LEU 80 27.948 -13.920 2.030 586 2HB LEU 80 3HB LEU 80 27.837 -13.372 0.369 587 HG LEU 80 HG LEU 80 28.636 -16.173 0.524 588 1HD1 LEU 80 1HD1 LEU 80 26.163 -15.298 2.001 589 2HD1 LEU 80 2HD1 LEU 80 26.257 -16.890 1.210 590 3HD1 LEU 80 3HD1 LEU 80 27.419 -16.461 2.488 591 1HD2 LEU 80 1HD2 LEU 80 26.381 -16.229 -0.869 592 2HD2 LEU 80 2HD2 LEU 80 26.660 -14.472 -0.930 593 3HD2 LEU 80 3HD2 LEU 80 27.895 -15.592 -1.554 594 H ASN 81 HN ASN 81 30.468 -13.343 3.416 595 HA ASN 81 HA ASN 81 31.206 -16.028 4.069 596 1HB ASN 81 2HB ASN 81 33.507 -15.530 4.701 597 2HB ASN 81 3HB ASN 81 33.299 -14.983 3.049 598 1HD2 ASN 81 1HD2 ASN 81 35.210 -14.131 5.047 599 2HD2 ASN 81 2HD2 ASN 81 35.011 -12.426 5.279 600 HA PRO 82 HA PRO 82 30.009 -14.439 7.977 601 1HB PRO 82 2HB PRO 82 31.276 -16.102 9.737 602 2HB PRO 82 3HB PRO 82 29.807 -16.543 8.890 603 1HG PRO 82 2HG PRO 82 32.578 -17.441 8.385 604 2HG PRO 82 3HG PRO 82 31.074 -18.168 7.855 605 1HD PRO 82 2HD PRO 82 32.876 -16.600 6.267 606 2HD PRO 82 3HD PRO 82 31.317 -17.230 5.770 Start of MODEL 17 1 H TYR 8 HN TYR 8 7.109 -1.327 7.492 2 HA TYR 8 HA TYR 8 8.018 1.325 7.989 3 1HB TYR 8 2HB TYR 8 5.681 0.012 7.252 4 2HB TYR 8 3HB TYR 8 5.360 0.251 8.958 5 HD1 TYR 8 HD1 TYR 8 7.174 2.538 6.622 6 HD2 TYR 8 HD2 TYR 8 3.659 1.873 8.969 7 HE1 TYR 8 HE1 TYR 8 6.399 4.913 6.148 8 HE2 TYR 8 HE2 TYR 8 2.897 4.250 8.488 9 HH TYR 8 HH TYR 8 4.979 6.488 6.720 10 H ILE 9 HN ILE 9 7.094 -1.507 9.993 11 HA ILE 9 HA ILE 9 6.953 -0.095 12.419 12 HB ILE 9 HB ILE 9 6.879 -2.223 13.449 13 1HG1 ILE 9 2HG1 ILE 9 8.911 -3.118 12.231 14 2HG1 ILE 9 3HG1 ILE 9 7.620 -4.263 12.537 15 1HG2 ILE 9 1HG2 ILE 9 5.378 -3.463 11.582 16 2HG2 ILE 9 2HG2 ILE 9 4.814 -2.081 12.552 17 3HG2 ILE 9 3HG2 ILE 9 5.424 -1.819 10.900 18 1HD1 ILE 9 1HD1 ILE 9 6.751 -3.585 10.150 19 2HD1 ILE 9 2HD1 ILE 9 8.396 -2.946 9.921 20 3HD1 ILE 9 3HD1 ILE 9 8.154 -4.673 10.276 21 H ALA 10 HN ALA 10 9.619 -1.584 10.557 22 HA ALA 10 HA ALA 10 11.497 -1.278 12.692 23 1HB ALA 10 1HB ALA 10 11.366 -2.864 10.505 24 2HB ALA 10 2HB ALA 10 12.393 -1.561 9.860 25 3HB ALA 10 3HB ALA 10 12.897 -2.455 11.314 26 H LEU 11 HN LEU 11 10.611 0.483 9.667 27 HA LEU 11 HA LEU 11 12.662 2.353 9.765 28 1HB LEU 11 2HB LEU 11 11.551 2.240 7.765 29 2HB LEU 11 3HB LEU 11 9.965 2.183 8.508 30 HG LEU 11 HG LEU 11 11.478 4.712 8.880 31 1HD1 LEU 11 1HD1 LEU 11 10.323 3.967 6.178 32 2HD1 LEU 11 2HD1 LEU 11 10.967 5.557 6.655 33 3HD1 LEU 11 3HD1 LEU 11 12.052 4.149 6.560 34 1HD2 LEU 11 1HD2 LEU 11 8.851 5.070 7.850 35 2HD2 LEU 11 2HD2 LEU 11 8.789 3.777 9.072 36 3HD2 LEU 11 3HD2 LEU 11 9.455 5.372 9.497 37 H ILE 12 HN ILE 12 9.475 2.203 11.408 38 HA ILE 12 HA ILE 12 9.638 4.837 12.431 39 HB ILE 12 HB ILE 12 7.799 2.652 12.406 40 1HG1 ILE 12 2HG1 ILE 12 6.372 4.758 13.314 41 2HG1 ILE 12 3HG1 ILE 12 7.783 5.610 12.718 42 1HG2 ILE 12 1HG2 ILE 12 8.411 3.787 15.136 43 2HG2 ILE 12 2HG2 ILE 12 6.822 3.105 14.714 44 3HG2 ILE 12 3HG2 ILE 12 8.278 2.083 14.639 45 1HD1 ILE 12 1HD1 ILE 12 7.050 3.581 10.784 46 2HD1 ILE 12 2HD1 ILE 12 5.613 4.548 11.195 47 3HD1 ILE 12 3HD1 ILE 12 7.080 5.350 10.584 48 H THR 13 HN THR 13 10.051 1.589 14.018 49 HA THR 13 HA THR 13 10.921 2.482 16.456 50 HB THR 13 HB THR 13 11.553 0.017 14.769 51 HG1 THR 13 HG1 THR 13 9.588 -0.399 15.692 52 1HG2 THR 13 1HG2 THR 13 13.260 -0.370 16.287 53 2HG2 THR 13 2HG2 THR 13 12.656 0.864 17.419 54 3HG2 THR 13 3HG2 THR 13 11.915 -0.754 17.388 55 H MET 14 HN MET 14 12.704 2.365 13.377 56 HA MET 14 HA MET 14 15.202 2.798 14.622 57 1HB MET 14 2HB MET 14 15.090 1.749 12.411 58 2HB MET 14 3HB MET 14 14.144 3.073 11.762 59 1HG MET 14 2HG MET 14 16.223 4.569 12.404 60 2HG MET 14 3HG MET 14 17.093 3.050 12.493 61 1HE MET 14 1HE MET 14 14.368 4.725 10.661 62 2HE MET 14 2HE MET 14 15.477 5.625 9.600 63 3HE MET 14 3HE MET 14 14.538 4.259 8.952 64 H ALA 15 HN ALA 15 12.717 4.875 13.036 65 HA ALA 15 HA ALA 15 14.250 7.233 13.102 66 1HB ALA 15 1HB ALA 15 12.477 7.979 11.935 67 2HB ALA 15 2HB ALA 15 11.755 6.364 12.129 68 3HB ALA 15 3HB ALA 15 11.375 7.655 13.294 69 H ILE 16 HN ILE 16 11.676 5.906 15.293 70 HA ILE 16 HA ILE 16 11.891 8.034 17.128 71 HB ILE 16 HB ILE 16 9.879 6.847 17.066 72 1HG1 ILE 16 2HG1 ILE 16 10.606 5.502 19.533 73 2HG1 ILE 16 3HG1 ILE 16 11.350 7.087 19.449 74 1HG2 ILE 16 1HG2 ILE 16 9.913 4.765 16.275 75 2HG2 ILE 16 2HG2 ILE 16 11.599 4.509 16.784 76 3HG2 ILE 16 3HG2 ILE 16 10.271 4.247 17.939 77 1HD1 ILE 16 1HD1 ILE 16 9.296 7.722 20.295 78 2HD1 ILE 16 2HD1 ILE 16 8.884 7.769 18.564 79 3HD1 ILE 16 3HD1 ILE 16 8.445 6.350 19.546 80 H ARG 17 HN ARG 17 13.648 4.990 16.625 81 HA ARG 17 HA ARG 17 14.704 4.636 19.094 82 1HB ARG 17 2HB ARG 17 15.394 3.889 16.324 83 2HB ARG 17 3HB ARG 17 16.824 4.041 17.325 84 1HG ARG 17 2HG ARG 17 14.682 2.631 18.756 85 2HG ARG 17 3HG ARG 17 15.045 1.843 17.234 86 1HD ARG 17 2HD ARG 17 17.595 2.401 18.198 87 2HD ARG 17 3HD ARG 17 16.717 2.080 19.680 88 HE ARG 17 HE ARG 17 15.965 0.036 17.888 89 1HH1 ARG 17 2HH2 ARG 17 18.930 1.173 19.405 90 2HH1 ARG 17 1HH2 ARG 17 19.682 -0.387 19.400 91 1HH2 ARG 17 2HH1 ARG 17 16.957 -2.022 17.881 92 2HH2 ARG 17 1HH1 ARG 17 18.552 -2.217 18.528 93 H ASP 18 HN ASP 18 15.163 7.285 16.905 94 HA ASP 18 HA ASP 18 17.698 8.054 17.168 95 1HB ASP 18 2HB ASP 18 16.036 9.349 15.919 96 2HB ASP 18 3HB ASP 18 15.167 9.742 17.389 97 H SER 19 HN SER 19 15.202 7.857 19.664 98 HA SER 19 HA SER 19 16.649 9.547 21.471 99 1HB SER 19 2HB SER 19 14.763 9.434 22.850 100 2HB SER 19 3HB SER 19 14.049 9.229 21.263 101 HG SER 19 HG SER 19 13.524 7.178 21.708 102 H ALA 20 HN ALA 20 15.686 7.669 23.764 103 HA ALA 20 HA ALA 20 17.079 5.242 23.501 104 1HB ALA 20 1HB ALA 20 19.070 6.672 23.476 105 2HB ALA 20 2HB ALA 20 18.531 7.484 24.965 106 3HB ALA 20 3HB ALA 20 18.990 5.765 25.006 107 H GLY 21 HN GLY 21 14.502 6.318 24.366 108 1HA GLY 21 1HA GLY 21 13.063 5.555 25.979 109 2HA GLY 21 2HA GLY 21 14.414 5.060 26.980 110 H GLY 22 HN GLY 22 13.709 8.278 25.462 111 1HA GLY 22 1HA GLY 22 13.166 9.408 28.105 112 2HA GLY 22 2HA GLY 22 14.572 10.003 27.245 113 H ARG 23 HN ARG 23 14.096 10.564 24.783 114 HA ARG 23 HA ARG 23 11.432 11.372 24.281 115 1HB ARG 23 2HB ARG 23 12.001 13.829 24.019 116 2HB ARG 23 3HB ARG 23 12.036 13.278 25.682 117 1HG ARG 23 2HG ARG 23 14.316 13.553 25.876 118 2HG ARG 23 3HG ARG 23 14.630 13.001 24.243 119 1HD ARG 23 2HD ARG 23 14.338 15.128 23.308 120 2HD ARG 23 3HD ARG 23 13.213 15.642 24.548 121 HE ARG 23 HE ARG 23 15.020 16.294 25.921 122 1HH1 ARG 23 2HH2 ARG 23 16.194 14.462 23.155 123 2HH1 ARG 23 1HH2 ARG 23 17.857 14.855 23.439 124 1HH2 ARG 23 2HH1 ARG 23 17.214 16.812 26.296 125 2HH2 ARG 23 1HH1 ARG 23 18.441 16.200 25.237 126 H LEU 24 HN LEU 24 11.119 11.754 22.020 127 HA LEU 24 HA LEU 24 13.545 11.849 20.393 128 1HB LEU 24 2HB LEU 24 13.263 9.865 19.476 129 2HB LEU 24 3HB LEU 24 12.148 9.513 20.781 130 HG LEU 24 HG LEU 24 11.143 8.890 18.692 131 1HD1 LEU 24 1HD1 LEU 24 9.973 10.670 20.534 132 2HD1 LEU 24 2HD1 LEU 24 9.446 11.206 18.921 133 3HD1 LEU 24 3HD1 LEU 24 9.155 9.529 19.440 134 1HD2 LEU 24 1HD2 LEU 24 11.544 9.949 16.788 135 2HD2 LEU 24 2HD2 LEU 24 10.723 11.406 17.395 136 3HD2 LEU 24 3HD2 LEU 24 12.466 11.184 17.678 137 H THR 25 HN THR 25 13.329 13.034 18.467 138 HA THR 25 HA THR 25 10.928 14.693 18.403 139 HB THR 25 HB THR 25 12.373 16.112 16.930 140 HG1 THR 25 HG1 THR 25 13.467 13.991 16.189 141 1HG2 THR 25 1HG2 THR 25 13.184 15.258 19.654 142 2HG2 THR 25 2HG2 THR 25 14.540 15.869 18.677 143 3HG2 THR 25 3HG2 THR 25 13.115 16.896 18.962 144 H LEU 26 HN LEU 26 9.247 14.115 17.191 145 HA LEU 26 HA LEU 26 9.566 12.135 15.164 146 1HB LEU 26 2HB LEU 26 7.480 13.217 16.741 147 2HB LEU 26 3HB LEU 26 7.037 13.486 15.067 148 HG LEU 26 HG LEU 26 6.075 11.426 15.630 149 1HD1 LEU 26 1HD1 LEU 26 8.144 9.866 14.496 150 2HD1 LEU 26 2HD1 LEU 26 6.722 10.571 13.690 151 3HD1 LEU 26 3HD1 LEU 26 8.250 11.482 13.759 152 1HD2 LEU 26 1HD2 LEU 26 8.469 9.974 16.538 153 2HD2 LEU 26 2HD2 LEU 26 7.929 11.273 17.628 154 3HD2 LEU 26 3HD2 LEU 26 6.805 9.971 17.171 155 H ALA 27 HN ALA 27 9.636 15.648 15.350 156 HA ALA 27 HA ALA 27 8.930 16.197 12.692 157 1HB ALA 27 1HB ALA 27 8.907 18.145 13.858 158 2HB ALA 27 2HB ALA 27 10.139 17.582 15.012 159 3HB ALA 27 3HB ALA 27 10.633 18.225 13.428 160 H GLU 28 HN GLU 28 12.115 15.630 14.324 161 HA GLU 28 HA GLU 28 13.549 15.959 11.931 162 1HB GLU 28 2HB GLU 28 14.119 15.195 14.743 163 2HB GLU 28 3HB GLU 28 15.210 14.476 13.575 164 1HG GLU 28 2HG GLU 28 14.830 17.230 12.817 165 2HG GLU 28 3HG GLU 28 15.154 17.200 14.539 166 H ILE 29 HN ILE 29 12.032 13.202 13.621 167 HA ILE 29 HA ILE 29 13.326 11.158 12.225 168 HB ILE 29 HB ILE 29 11.042 11.481 14.014 169 1HG1 ILE 29 2HG1 ILE 29 11.947 9.429 14.982 170 2HG1 ILE 29 3HG1 ILE 29 13.015 9.215 13.610 171 1HG2 ILE 29 1HG2 ILE 29 10.945 9.386 11.840 172 2HG2 ILE 29 2HG2 ILE 29 10.113 9.197 13.402 173 3HG2 ILE 29 3HG2 ILE 29 9.686 10.548 12.324 174 1HD1 ILE 29 1HD1 ILE 29 13.145 11.272 15.815 175 2HD1 ILE 29 2HD1 ILE 29 14.447 10.272 15.125 176 3HD1 ILE 29 3HD1 ILE 29 13.827 11.674 14.220 177 H ASN 30 HN ASN 30 10.019 12.578 11.684 178 HA ASN 30 HA ASN 30 9.620 11.243 9.309 179 1HB ASN 30 2HB ASN 30 8.475 13.739 10.589 180 2HB ASN 30 3HB ASN 30 8.051 13.402 8.923 181 1HD2 ASN 30 1HD2 ASN 30 7.101 11.348 8.398 182 2HD2 ASN 30 2HD2 ASN 30 6.118 10.507 9.550 183 H GLU 31 HN GLU 31 11.366 14.224 10.168 184 HA GLU 31 HA GLU 31 11.392 15.480 7.729 185 1HB GLU 31 2HB GLU 31 12.186 16.643 9.675 186 2HB GLU 31 3HB GLU 31 13.388 15.415 10.020 187 1HG GLU 31 2HG GLU 31 14.703 16.034 8.065 188 2HG GLU 31 3HG GLU 31 13.428 17.070 7.458 189 H TYR 32 HN TYR 32 13.735 13.075 9.112 190 HA TYR 32 HA TYR 32 15.200 12.974 6.641 191 1HB TYR 32 2HB TYR 32 16.680 11.735 8.025 192 2HB TYR 32 3HB TYR 32 15.788 12.592 9.267 193 HD1 TYR 32 HD1 TYR 32 14.810 11.380 11.002 194 HD2 TYR 32 HD2 TYR 32 15.660 9.396 7.308 195 HE1 TYR 32 HE1 TYR 32 14.116 9.159 12.027 196 HE2 TYR 32 HE2 TYR 32 14.963 7.182 8.345 197 HH TYR 32 HH TYR 32 13.239 6.639 10.437 198 H LEU 33 HN LEU 33 12.354 11.470 7.955 199 HA LEU 33 HA LEU 33 12.648 8.969 6.644 200 1HB LEU 33 2HB LEU 33 11.051 9.991 8.615 201 2HB LEU 33 3HB LEU 33 9.937 9.919 7.264 202 HG LEU 33 HG LEU 33 10.599 7.491 6.968 203 1HD1 LEU 33 1HD1 LEU 33 12.614 8.132 8.769 204 2HD1 LEU 33 2HD1 LEU 33 11.466 7.167 9.728 205 3HD1 LEU 33 3HD1 LEU 33 12.148 6.503 8.224 206 1HD2 LEU 33 1HD2 LEU 33 8.748 8.713 8.691 207 2HD2 LEU 33 2HD2 LEU 33 8.705 7.057 8.039 208 3HD2 LEU 33 3HD2 LEU 33 9.461 7.372 9.619 209 H MET 34 HN MET 34 10.855 12.033 5.922 210 HA MET 34 HA MET 34 9.885 11.035 3.480 211 1HB MET 34 2HB MET 34 8.908 13.202 3.273 212 2HB MET 34 3HB MET 34 9.059 13.022 5.010 213 1HG MET 34 2HG MET 34 11.317 14.220 4.853 214 2HG MET 34 3HG MET 34 10.965 14.539 3.166 215 1HE MET 34 1HE MET 34 10.125 18.035 4.153 216 2HE MET 34 2HE MET 34 11.464 16.910 3.825 217 3HE MET 34 3HE MET 34 10.109 17.039 2.678 218 H GLY 35 HN GLY 35 12.926 12.425 4.516 219 1HA GLY 35 1HA GLY 35 13.740 13.510 2.007 220 2HA GLY 35 2HA GLY 35 14.745 13.163 3.400 221 H LYS 36 HN LYS 36 14.264 10.373 3.747 222 HA LYS 36 HA LYS 36 15.952 9.371 1.679 223 1HB LYS 36 2HB LYS 36 14.879 8.427 4.282 224 2HB LYS 36 3HB LYS 36 15.250 7.179 3.111 225 1HG LYS 36 2HG LYS 36 17.528 8.396 2.781 226 2HG LYS 36 3HG LYS 36 17.131 9.294 4.233 227 1HD LYS 36 2HD LYS 36 17.048 6.251 4.177 228 2HD LYS 36 3HD LYS 36 18.537 7.117 4.500 229 1HE LYS 36 2HE LYS 36 17.073 8.417 6.298 230 2HE LYS 36 3HE LYS 36 15.999 7.040 6.155 231 1HZ LYS 36 1HZ LYS 36 18.244 5.768 6.433 232 2HZ LYS 36 2HZ LYS 36 18.697 7.142 7.190 233 3HZ LYS 36 3HZ LYS 36 17.407 6.299 7.731 234 H PHE 37 HN PHE 37 12.484 9.115 2.585 235 HA PHE 37 HA PHE 37 12.077 7.738 0.023 236 1HB PHE 37 2HB PHE 37 10.204 7.620 2.429 237 2HB PHE 37 3HB PHE 37 10.374 6.441 1.143 238 HD1 PHE 37 HD1 PHE 37 12.643 5.168 1.043 239 HD2 PHE 37 HD2 PHE 37 11.255 7.253 4.469 240 HE1 PHE 37 HE1 PHE 37 14.175 3.808 2.492 241 HE2 PHE 37 HE2 PHE 37 12.788 5.893 5.918 242 HZ PHE 37 HZ PHE 37 14.230 4.186 4.912 243 HA PRO 38 HA PRO 38 9.822 11.661 -0.081 244 1HB PRO 38 2HB PRO 38 10.716 12.525 -2.515 245 2HB PRO 38 3HB PRO 38 11.462 12.991 -0.999 246 1HG PRO 38 2HG PRO 38 12.424 11.062 -3.021 247 2HG PRO 38 3HG PRO 38 13.324 11.851 -1.741 248 1HD PRO 38 2HD PRO 38 12.393 9.138 -1.765 249 2HD PRO 38 3HD PRO 38 13.191 9.961 -0.439 250 H PHE 39 HN PHE 39 10.072 8.928 -2.087 251 HA PHE 39 HA PHE 39 7.709 9.694 -3.580 252 1HB PHE 39 2HB PHE 39 9.968 8.342 -4.240 253 2HB PHE 39 3HB PHE 39 9.084 6.975 -3.591 254 HD1 PHE 39 HD1 PHE 39 7.556 5.825 -4.929 255 HD2 PHE 39 HD2 PHE 39 8.819 9.701 -6.106 256 HE1 PHE 39 HE1 PHE 39 6.383 5.539 -7.129 257 HE2 PHE 39 HE2 PHE 39 7.646 9.415 -8.307 258 HZ PHE 39 HZ PHE 39 6.442 7.338 -8.792 259 H PHE 40 HN PHE 40 8.615 7.914 -0.709 260 HA PHE 40 HA PHE 40 6.260 6.252 -0.775 261 1HB PHE 40 2HB PHE 40 8.507 5.545 0.163 262 2HB PHE 40 3HB PHE 40 8.432 6.858 1.321 263 HD1 PHE 40 HD1 PHE 40 5.440 4.913 0.491 264 HD2 PHE 40 HD2 PHE 40 8.662 5.371 3.214 265 HE1 PHE 40 HE1 PHE 40 4.273 3.407 2.125 266 HE2 PHE 40 HE2 PHE 40 7.496 3.865 4.848 267 HZ PHE 40 HZ PHE 40 5.315 2.900 4.284 268 H ARG 41 HN ARG 41 7.098 9.463 0.192 269 HA ARG 41 HA ARG 41 5.022 9.477 2.202 270 1HB ARG 41 2HB ARG 41 5.892 11.694 2.819 271 2HB ARG 41 3HB ARG 41 7.231 10.570 2.700 272 1HG ARG 41 2HG ARG 41 8.212 11.999 1.238 273 2HG ARG 41 3HG ARG 41 6.962 11.589 0.081 274 1HD ARG 41 2HD ARG 41 5.608 13.413 1.640 275 2HD ARG 41 3HD ARG 41 7.243 14.029 1.784 276 HE ARG 41 HE ARG 41 5.576 14.108 -0.591 277 1HH1 ARG 41 2HH2 ARG 41 8.920 13.881 0.482 278 2HH1 ARG 41 1HH2 ARG 41 9.567 14.562 -0.973 279 1HH2 ARG 41 2HH1 ARG 41 6.430 15.005 -2.511 280 2HH2 ARG 41 1HH1 ARG 41 8.141 15.205 -2.688 281 H GLY 42 HN GLY 42 4.490 9.183 -0.746 282 1HA GLY 42 1HA GLY 42 2.585 11.382 -0.986 283 2HA GLY 42 2HA GLY 42 3.794 11.243 -2.246 284 H SER 43 HN SER 43 1.709 8.935 -0.345 285 HA SER 43 HA SER 43 0.775 7.935 -2.909 286 1HB SER 43 2HB SER 43 2.238 6.449 -0.785 287 2HB SER 43 3HB SER 43 0.795 5.645 -1.370 288 HG SER 43 HG SER 43 2.140 4.971 -2.915 289 H TYR 44 HN TYR 44 0.343 7.138 0.621 290 HA TYR 44 HA TYR 44 -2.540 7.551 0.219 291 1HB TYR 44 2HB TYR 44 -2.474 6.078 2.412 292 2HB TYR 44 3HB TYR 44 -2.057 5.279 0.909 293 HD1 TYR 44 HD1 TYR 44 -0.849 6.381 4.162 294 HD2 TYR 44 HD2 TYR 44 0.334 4.791 0.370 295 HE1 TYR 44 HE1 TYR 44 1.391 5.685 5.144 296 HE2 TYR 44 HE2 TYR 44 2.569 4.100 1.365 297 HH TYR 44 HH TYR 44 3.742 5.300 4.164 298 H THR 45 HN THR 45 -3.720 8.827 1.681 299 HA THR 45 HA THR 45 -2.152 10.803 3.062 300 HB THR 45 HB THR 45 -5.153 10.306 2.699 301 HG1 THR 45 HG1 THR 45 -3.071 12.071 1.619 302 1HG2 THR 45 1HG2 THR 45 -3.587 12.615 3.947 303 2HG2 THR 45 2HG2 THR 45 -5.208 12.838 3.247 304 3HG2 THR 45 3HG2 THR 45 -4.980 11.748 4.636 305 H GLY 46 HN GLY 46 -1.290 8.594 4.245 306 1HA GLY 46 1HA GLY 46 -2.342 8.891 6.933 307 2HA GLY 46 2HA GLY 46 -2.555 7.305 6.219 308 H TRP 47 HN TRP 47 -0.030 9.848 6.784 309 HA TRP 47 HA TRP 47 1.955 7.689 6.896 310 1HB TRP 47 2HB TRP 47 1.946 10.319 5.723 311 2HB TRP 47 3HB TRP 47 3.215 10.211 6.927 312 HD1 TRP 47 HD1 TRP 47 2.038 7.675 4.173 313 HE1 TRP 47 HE1 TRP 47 4.114 6.765 2.821 314 HE3 TRP 47 HE3 TRP 47 5.527 10.397 6.677 315 HZ2 TRP 47 HZ2 TRP 47 6.919 7.275 2.948 316 HZ3 TRP 47 HZ3 TRP 47 7.912 10.132 6.001 317 HH2 TRP 47 HH2 TRP 47 8.629 8.636 4.206 318 H ARG 48 HN ARG 48 1.669 11.005 8.350 319 HA ARG 48 HA ARG 48 2.930 10.289 10.672 320 1HB ARG 48 2HB ARG 48 1.205 12.568 9.759 321 2HB ARG 48 3HB ARG 48 1.371 12.397 11.495 322 1HG ARG 48 2HG ARG 48 3.959 12.156 10.955 323 2HG ARG 48 3HG ARG 48 3.531 12.910 9.433 324 1HD ARG 48 2HD ARG 48 2.551 14.164 12.009 325 2HD ARG 48 3HD ARG 48 4.221 14.401 11.535 326 HE ARG 48 HE ARG 48 2.396 14.920 9.327 327 1HH1 ARG 48 2HH2 ARG 48 3.785 16.325 12.239 328 2HH1 ARG 48 1HH2 ARG 48 3.577 17.959 11.704 329 1HH2 ARG 48 2HH1 ARG 48 2.122 17.075 8.620 330 2HH2 ARG 48 1HH1 ARG 48 2.625 18.388 9.631 331 H ASN 49 HN ASN 49 -0.442 9.941 9.631 332 HA ASN 49 HA ASN 49 -1.535 9.666 12.192 333 1HB ASN 49 2HB ASN 49 -2.397 9.084 9.361 334 2HB ASN 49 3HB ASN 49 -3.292 8.278 10.634 335 1HD2 ASN 49 1HD2 ASN 49 -4.453 9.463 12.149 336 2HD2 ASN 49 2HD2 ASN 49 -4.913 11.114 11.901 337 H SER 50 HN SER 50 -0.656 7.307 9.551 338 HA SER 50 HA SER 50 -1.203 5.058 11.109 339 1HB SER 50 2HB SER 50 0.502 5.443 8.612 340 2HB SER 50 3HB SER 50 0.162 3.869 9.304 341 HG SER 50 HG SER 50 -2.227 4.847 9.148 342 H VAL 51 HN VAL 51 1.821 6.880 10.322 343 HA VAL 51 HA VAL 51 3.607 5.151 11.558 344 HB VAL 51 HB VAL 51 3.589 8.089 10.924 345 1HG1 VAL 51 1HG1 VAL 51 6.101 7.977 11.455 346 2HG1 VAL 51 2HG1 VAL 51 4.975 8.106 12.828 347 3HG1 VAL 51 3HG1 VAL 51 5.706 6.535 12.421 348 1HG2 VAL 51 1HG2 VAL 51 5.727 6.661 9.710 349 2HG2 VAL 51 2HG2 VAL 51 4.258 5.672 9.529 350 3HG2 VAL 51 3HG2 VAL 51 4.280 7.351 8.938 351 H ARG 52 HN ARG 52 1.901 8.084 12.853 352 HA ARG 52 HA ARG 52 2.990 7.890 15.372 353 1HB ARG 52 2HB ARG 52 1.847 9.920 14.655 354 2HB ARG 52 3HB ARG 52 0.349 9.056 14.376 355 1HG ARG 52 2HG ARG 52 1.363 8.722 17.136 356 2HG ARG 52 3HG ARG 52 1.051 10.397 16.729 357 1HD ARG 52 2HD ARG 52 -1.245 9.573 15.811 358 2HD ARG 52 3HD ARG 52 -0.908 8.066 16.640 359 HE ARG 52 HE ARG 52 -0.486 10.256 18.454 360 1HH1 ARG 52 2HH2 ARG 52 -3.079 8.504 16.845 361 2HH1 ARG 52 1HH2 ARG 52 -4.249 8.852 18.073 362 1HH2 ARG 52 2HH1 ARG 52 -2.030 10.715 20.075 363 2HH2 ARG 52 1HH1 ARG 52 -3.649 10.118 19.923 364 H HIS 53 HN HIS 53 0.256 6.226 13.807 365 HA HIS 53 HA HIS 53 -1.022 5.337 16.122 366 1HB HIS 53 2HB HIS 53 -1.294 5.060 13.305 367 2HB HIS 53 3HB HIS 53 -1.279 3.441 13.975 368 HD1 HIS 53 HD1 HIS 53 -3.775 5.249 12.783 369 HD2 HIS 53 HD2 HIS 53 -3.018 4.148 16.759 370 HE1 HIS 53 HE1 HIS 53 -6.019 5.357 13.994 371 H ASN 54 HN ASN 54 1.360 3.668 13.939 372 HA ASN 54 HA ASN 54 1.558 1.439 15.586 373 1HB ASN 54 2HB ASN 54 2.958 2.557 13.212 374 2HB ASN 54 3HB ASN 54 4.008 1.594 14.232 375 1HD2 ASN 54 1HD2 ASN 54 0.911 1.627 12.534 376 2HD2 ASN 54 2HD2 ASN 54 0.789 -0.075 12.240 377 H LEU 55 HN LEU 55 3.198 4.616 15.427 378 HA LEU 55 HA LEU 55 5.436 4.023 16.972 379 1HB LEU 55 2HB LEU 55 4.068 6.365 15.922 380 2HB LEU 55 3HB LEU 55 4.772 6.672 17.496 381 HG LEU 55 HG LEU 55 6.293 5.552 15.126 382 1HD1 LEU 55 1HD1 LEU 55 5.331 8.077 15.245 383 2HD1 LEU 55 2HD1 LEU 55 6.880 8.284 16.099 384 3HD1 LEU 55 3HD1 LEU 55 6.856 7.625 14.445 385 1HD2 LEU 55 1HD2 LEU 55 7.146 4.949 17.406 386 2HD2 LEU 55 2HD2 LEU 55 8.282 5.882 16.402 387 3HD2 LEU 55 3HD2 LEU 55 7.383 6.687 17.711 388 H SER 56 HN SER 56 2.122 5.143 17.881 389 HA SER 56 HA SER 56 2.801 5.185 20.627 390 1HB SER 56 2HB SER 56 0.594 5.932 20.985 391 2HB SER 56 3HB SER 56 0.963 6.537 19.382 392 HG SER 56 HG SER 56 -1.162 5.439 19.621 393 H LEU 57 HN LEU 57 1.285 2.893 18.330 394 HA LEU 57 HA LEU 57 0.522 1.084 20.432 395 1HB LEU 57 2HB LEU 57 -0.815 0.223 18.902 396 2HB LEU 57 3HB LEU 57 -0.371 1.587 17.896 397 HG LEU 57 HG LEU 57 1.609 0.012 17.144 398 1HD1 LEU 57 1HD1 LEU 57 -0.088 -2.301 17.220 399 2HD1 LEU 57 2HD1 LEU 57 1.575 -2.097 17.822 400 3HD1 LEU 57 3HD1 LEU 57 0.193 -1.716 18.877 401 1HD2 LEU 57 1HD2 LEU 57 0.489 -0.271 15.189 402 2HD2 LEU 57 2HD2 LEU 57 -0.997 -0.842 15.986 403 3HD2 LEU 57 3HD2 LEU 57 -0.614 0.896 15.957 404 H ASN 58 HN ASN 58 3.461 2.024 19.309 405 HA ASN 58 HA ASN 58 4.570 -0.577 18.915 406 1HB ASN 58 2HB ASN 58 5.610 1.194 17.651 407 2HB ASN 58 3HB ASN 58 5.700 2.252 19.045 408 1HD2 ASN 58 1HD2 ASN 58 6.790 -0.922 17.876 409 2HD2 ASN 58 2HD2 ASN 58 8.368 -0.894 18.590 410 H ASP 59 HN ASP 59 6.243 1.927 20.839 411 HA ASP 59 HA ASP 59 6.672 0.028 22.911 412 1HB ASP 59 2HB ASP 59 7.761 2.620 22.046 413 2HB ASP 59 3HB ASP 59 7.567 2.565 23.787 414 H CYS 60 HN CYS 60 4.671 2.906 22.238 415 HA CYS 60 HA CYS 60 2.800 3.562 23.249 416 1HB CYS 60 2HB CYS 60 3.386 1.830 25.662 417 2HB CYS 60 3HB CYS 60 1.851 2.524 25.179 418 HG CYS 60 HG CYS 60 3.619 0.049 23.959 419 H PHE 61 HN PHE 61 3.910 5.626 23.302 420 HA PHE 61 HA PHE 61 4.891 6.293 25.985 421 1HB PHE 61 2HB PHE 61 6.268 8.006 24.365 422 2HB PHE 61 3HB PHE 61 6.899 6.420 24.761 423 HD1 PHE 61 HD1 PHE 61 7.548 5.024 23.037 424 HD2 PHE 61 HD2 PHE 61 4.710 8.075 22.231 425 HE1 PHE 61 HE1 PHE 61 7.613 4.440 20.597 426 HE2 PHE 61 HE2 PHE 61 4.775 7.490 19.791 427 HZ PHE 61 HZ PHE 61 6.226 5.680 19.003 428 H VAL 62 HN VAL 62 5.316 9.055 25.500 429 HA VAL 62 HA VAL 62 2.580 9.917 24.859 430 HB VAL 62 HB VAL 62 4.519 11.020 26.902 431 1HG1 VAL 62 1HG1 VAL 62 3.225 12.836 26.025 432 2HG1 VAL 62 2HG1 VAL 62 1.723 11.884 26.104 433 3HG1 VAL 62 3HG1 VAL 62 2.530 12.400 27.604 434 1HG2 VAL 62 1HG2 VAL 62 2.696 8.835 27.055 435 2HG2 VAL 62 2HG2 VAL 62 3.665 9.565 28.358 436 3HG2 VAL 62 3HG2 VAL 62 2.025 10.169 28.024 437 H LYS 63 HN LYS 63 2.392 12.091 23.908 438 HA LYS 63 HA LYS 63 4.865 12.848 22.511 439 1HB LYS 63 2HB LYS 63 3.560 11.911 20.823 440 2HB LYS 63 3HB LYS 63 2.056 12.506 21.497 441 1HG LYS 63 2HG LYS 63 3.264 14.895 21.052 442 2HG LYS 63 3HG LYS 63 4.101 13.954 19.833 443 1HD LYS 63 2HD LYS 63 1.137 13.557 19.952 444 2HD LYS 63 3HD LYS 63 1.664 15.145 19.432 445 1HE LYS 63 2HE LYS 63 3.263 13.896 17.797 446 2HE LYS 63 3HE LYS 63 2.333 12.457 18.166 447 1HZ LYS 63 1HZ LYS 63 1.473 13.601 16.250 448 2HZ LYS 63 2HZ LYS 63 0.359 13.613 17.444 449 3HZ LYS 63 3HZ LYS 63 1.216 14.963 17.113 450 H VAL 64 HN VAL 64 5.330 15.066 22.345 451 HA VAL 64 HA VAL 64 3.497 16.800 23.851 452 HB VAL 64 HB VAL 64 5.501 16.131 25.154 453 1HG1 VAL 64 1HG1 VAL 64 7.652 17.418 24.387 454 2HG1 VAL 64 2HG1 VAL 64 7.267 15.830 23.683 455 3HG1 VAL 64 3HG1 VAL 64 6.906 17.317 22.774 456 1HG2 VAL 64 1HG2 VAL 64 5.846 19.049 24.573 457 2HG2 VAL 64 2HG2 VAL 64 4.263 18.475 25.150 458 3HG2 VAL 64 3HG2 VAL 64 5.722 18.199 26.132 459 H LEU 65 HN LEU 65 3.073 18.807 22.941 460 HA LEU 65 HA LEU 65 4.543 19.405 20.472 461 1HB LEU 65 2HB LEU 65 2.644 18.723 19.475 462 2HB LEU 65 3HB LEU 65 1.654 18.987 20.896 463 HG LEU 65 HG LEU 65 1.819 21.480 20.411 464 1HD1 LEU 65 1HD1 LEU 65 2.937 22.297 18.662 465 2HD1 LEU 65 2HD1 LEU 65 3.740 20.710 18.586 466 3HD1 LEU 65 3HD1 LEU 65 2.321 21.040 17.563 467 1HD2 LEU 65 1HD2 LEU 65 -0.065 19.756 19.783 468 2HD2 LEU 65 2HD2 LEU 65 -0.114 21.428 19.175 469 3HD2 LEU 65 3HD2 LEU 65 0.459 20.114 18.119 470 H ARG 66 HN ARG 66 2.332 20.672 23.053 471 HA ARG 66 HA ARG 66 3.272 23.310 22.545 472 1HB ARG 66 2HB ARG 66 1.043 22.075 23.912 473 2HB ARG 66 3HB ARG 66 1.856 23.119 25.062 474 1HG ARG 66 2HG ARG 66 1.377 24.216 22.297 475 2HG ARG 66 3HG ARG 66 -0.015 24.049 23.349 476 1HD ARG 66 2HD ARG 66 1.649 25.229 25.124 477 2HD ARG 66 3HD ARG 66 2.399 25.829 23.659 478 HE ARG 66 HE ARG 66 -0.124 26.696 24.755 479 1HH1 ARG 66 2HH2 ARG 66 1.482 26.087 21.684 480 2HH1 ARG 66 1HH2 ARG 66 0.506 27.216 20.804 481 1HH2 ARG 66 2HH1 ARG 66 -1.412 28.185 23.594 482 2HH2 ARG 66 1HH1 ARG 66 -1.151 28.417 21.898 483 H ASP 67 HN ASP 67 5.318 23.865 23.250 484 HA ASP 67 HA ASP 67 5.885 23.529 26.018 485 1HB ASP 67 2HB ASP 67 6.926 21.640 24.093 486 2HB ASP 67 3HB ASP 67 8.264 22.619 24.659 487 HA PRO 68 HA PRO 68 8.251 27.081 25.009 488 1HB PRO 68 2HB PRO 68 10.174 27.140 26.950 489 2HB PRO 68 3HB PRO 68 8.524 27.667 27.219 490 1HG PRO 68 2HG PRO 68 9.843 25.175 28.109 491 2HG PRO 68 3HG PRO 68 8.370 25.912 28.707 492 1HD PRO 68 2HD PRO 68 8.570 23.637 26.971 493 2HD PRO 68 3HD PRO 68 7.098 24.444 27.476 494 H SER 69 HN SER 69 8.774 25.515 23.054 495 HA SER 69 HA SER 69 11.635 25.855 22.812 496 1HB SER 69 2HB SER 69 10.143 23.243 22.641 497 2HB SER 69 3HB SER 69 11.480 23.496 21.538 498 HG SER 69 HG SER 69 12.114 22.472 23.572 499 H ARG 70 HN ARG 70 8.616 24.657 21.167 500 HA ARG 70 HA ARG 70 9.204 26.520 19.044 501 1HB ARG 70 2HB ARG 70 8.591 24.710 17.337 502 2HB ARG 70 3HB ARG 70 10.143 24.493 18.120 503 1HG ARG 70 2HG ARG 70 7.677 23.208 19.326 504 2HG ARG 70 3HG ARG 70 8.446 22.459 17.941 505 1HD ARG 70 2HD ARG 70 9.670 23.006 20.677 506 2HD ARG 70 3HD ARG 70 9.442 21.453 19.897 507 HE ARG 70 HE ARG 70 11.635 23.320 19.439 508 1HH1 ARG 70 2HH2 ARG 70 9.741 20.742 17.973 509 2HH1 ARG 70 1HH2 ARG 70 10.985 20.289 16.857 510 1HH2 ARG 70 2HH1 ARG 70 13.277 22.723 17.967 511 2HH2 ARG 70 1HH1 ARG 70 13.010 21.423 16.853 512 HA PRO 71 HA PRO 71 4.819 26.307 20.316 513 1HB PRO 71 2HB PRO 71 4.502 28.919 21.057 514 2HB PRO 71 3HB PRO 71 4.887 27.641 22.192 515 1HG PRO 71 2HG PRO 71 6.656 29.742 21.098 516 2HG PRO 71 3HG PRO 71 6.886 28.742 22.519 517 1HD PRO 71 2HD PRO 71 8.167 28.426 19.972 518 2HD PRO 71 3HD PRO 71 8.309 27.360 21.357 519 H TRP 72 HN TRP 72 6.517 28.739 18.467 520 HA TRP 72 HA TRP 72 4.171 28.803 16.692 521 1HB TRP 72 2HB TRP 72 5.723 30.915 17.896 522 2HB TRP 72 3HB TRP 72 5.839 31.005 16.149 523 HD1 TRP 72 HD1 TRP 72 2.793 30.059 15.481 524 HE1 TRP 72 HE1 TRP 72 0.737 31.658 15.904 525 HE3 TRP 72 HE3 TRP 72 5.133 33.031 18.879 526 HZ2 TRP 72 HZ2 TRP 72 0.329 33.935 17.575 527 HZ3 TRP 72 HZ3 TRP 72 3.835 34.921 19.858 528 HH2 TRP 72 HH2 TRP 72 1.513 35.394 19.257 529 H GLY 73 HN GLY 73 5.914 26.624 16.538 530 1HA GLY 73 1HA GLY 73 7.692 27.300 14.275 531 2HA GLY 73 2HA GLY 73 7.926 25.970 15.391 532 H LYS 74 HN LYS 74 7.761 24.161 14.087 533 HA LYS 74 HA LYS 74 5.157 23.492 13.145 534 1HB LYS 74 2HB LYS 74 6.550 24.982 11.340 535 2HB LYS 74 3HB LYS 74 7.083 23.373 10.898 536 1HG LYS 74 2HG LYS 74 5.009 22.748 10.124 537 2HG LYS 74 3HG LYS 74 4.162 23.569 11.420 538 1HD LYS 74 2HD LYS 74 4.816 25.786 10.234 539 2HD LYS 74 3HD LYS 74 5.281 24.794 8.866 540 1HE LYS 74 2HE LYS 74 3.115 24.499 8.232 541 2HE LYS 74 3HE LYS 74 2.642 23.993 9.841 542 1HZ LYS 74 1HZ LYS 74 2.308 26.195 10.475 543 2HZ LYS 74 2HZ LYS 74 3.099 26.811 9.186 544 3HZ LYS 74 3HZ LYS 74 1.642 26.100 8.987 545 H ASP 75 HN ASP 75 7.198 22.595 15.087 546 HA ASP 75 HA ASP 75 7.333 19.891 14.106 547 1HB ASP 75 2HB ASP 75 9.732 21.506 15.069 548 2HB ASP 75 3HB ASP 75 9.731 19.753 15.079 549 H ASN 76 HN ASN 76 8.342 18.498 16.131 550 HA ASN 76 HA ASN 76 8.051 19.651 18.665 551 1HB ASN 76 2HB ASN 76 6.064 18.113 19.333 552 2HB ASN 76 3HB ASN 76 5.668 19.545 18.404 553 1HD2 ASN 76 1HD2 ASN 76 4.179 17.105 18.638 554 2HD2 ASN 76 2HD2 ASN 76 4.007 16.419 17.057 555 H TYR 77 HN TYR 77 7.873 17.592 20.353 556 HA TYR 77 HA TYR 77 9.267 15.306 19.157 557 1HB TYR 77 2HB TYR 77 10.592 15.467 21.450 558 2HB TYR 77 3HB TYR 77 11.039 16.588 20.179 559 HD1 TYR 77 HD1 TYR 77 10.214 16.314 23.581 560 HD2 TYR 77 HD2 TYR 77 9.670 18.890 20.209 561 HE1 TYR 77 HE1 TYR 77 9.767 18.272 25.140 562 HE2 TYR 77 HE2 TYR 77 9.224 20.839 21.779 563 HH TYR 77 HH TYR 77 10.056 20.866 24.897 564 H TRP 78 HN TRP 78 9.208 13.346 20.567 565 HA TRP 78 HA TRP 78 6.777 13.388 22.222 566 1HB TRP 78 2HB TRP 78 7.940 11.057 20.690 567 2HB TRP 78 3HB TRP 78 6.455 11.067 21.621 568 HD1 TRP 78 HD1 TRP 78 6.799 14.221 19.604 569 HE1 TRP 78 HE1 TRP 78 5.253 14.233 17.465 570 HE3 TRP 78 HE3 TRP 78 5.578 9.289 19.814 571 HZ2 TRP 78 HZ2 TRP 78 3.728 12.223 16.131 572 HZ3 TRP 78 HZ3 TRP 78 4.055 8.394 18.055 573 HH2 TRP 78 HH2 TRP 78 3.138 9.775 16.258 574 H MET 79 HN MET 79 6.857 11.807 24.087 575 HA MET 79 HA MET 79 9.614 11.555 25.016 576 1HB MET 79 2HB MET 79 8.603 13.171 26.455 577 2HB MET 79 3HB MET 79 7.034 12.393 26.387 578 1HG MET 79 2HG MET 79 7.568 10.839 28.036 579 2HG MET 79 3HG MET 79 9.258 10.768 27.580 580 1HE MET 79 1HE MET 79 10.484 13.393 27.526 581 2HE MET 79 2HE MET 79 10.849 13.844 29.209 582 3HE MET 79 3HE MET 79 11.132 12.177 28.654 583 H LEU 80 HN LEU 80 10.208 9.429 24.918 584 HA LEU 80 HA LEU 80 8.186 7.471 25.765 585 1HB LEU 80 2HB LEU 80 9.623 5.917 24.260 586 2HB LEU 80 3HB LEU 80 8.377 6.936 23.568 587 HG LEU 80 HG LEU 80 11.233 7.885 23.672 588 1HD1 LEU 80 1HD1 LEU 80 10.029 6.080 21.556 589 2HD1 LEU 80 2HD1 LEU 80 11.576 6.949 21.412 590 3HD1 LEU 80 3HD1 LEU 80 11.373 5.692 22.656 591 1HD2 LEU 80 1HD2 LEU 80 10.356 8.948 21.456 592 2HD2 LEU 80 2HD2 LEU 80 8.751 8.603 22.144 593 3HD2 LEU 80 3HD2 LEU 80 9.891 9.647 23.026 594 H ASN 81 HN ASN 81 8.792 5.963 27.307 595 HA ASN 81 HA ASN 81 11.582 5.873 28.017 596 1HB ASN 81 2HB ASN 81 11.202 6.375 30.371 597 2HB ASN 81 3HB ASN 81 10.483 7.680 29.449 598 1HD2 ASN 81 1HD2 ASN 81 8.432 8.174 29.744 599 2HD2 ASN 81 2HD2 ASN 81 7.261 7.249 30.624 600 HA PRO 82 HA PRO 82 10.363 1.753 28.893 601 1HB PRO 82 2HB PRO 82 12.244 0.928 30.696 602 2HB PRO 82 3HB PRO 82 12.542 1.014 28.971 603 1HG PRO 82 2HG PRO 82 13.480 2.830 31.106 604 2HG PRO 82 3HG PRO 82 14.094 2.643 29.476 605 1HD PRO 82 2HD PRO 82 12.434 4.769 30.451 606 2HD PRO 82 3HD PRO 82 12.953 4.519 28.796 Start of MODEL 18 1 H TYR 8 HN TYR 8 7.533 -8.799 -9.884 2 HA TYR 8 HA TYR 8 7.496 -10.477 -12.215 3 1HB TYR 8 2HB TYR 8 9.083 -8.333 -10.871 4 2HB TYR 8 3HB TYR 8 10.113 -9.529 -11.633 5 HD1 TYR 8 HD1 TYR 8 8.263 -6.552 -12.137 6 HD2 TYR 8 HD2 TYR 8 9.526 -10.116 -14.138 7 HE1 TYR 8 HE1 TYR 8 7.927 -5.417 -14.387 8 HE2 TYR 8 HE2 TYR 8 9.186 -8.969 -16.381 9 HH TYR 8 HH TYR 8 8.442 -7.210 -17.406 10 H ILE 9 HN ILE 9 9.479 -10.305 -9.170 11 HA ILE 9 HA ILE 9 10.988 -12.557 -9.648 12 HB ILE 9 HB ILE 9 11.444 -10.902 -7.924 13 1HG1 ILE 9 2HG1 ILE 9 11.674 -12.764 -5.983 14 2HG1 ILE 9 3HG1 ILE 9 11.353 -13.819 -7.345 15 1HG2 ILE 9 1HG2 ILE 9 8.773 -11.665 -7.002 16 2HG2 ILE 9 2HG2 ILE 9 9.987 -11.628 -5.701 17 3HG2 ILE 9 3HG2 ILE 9 9.716 -10.185 -6.707 18 1HD1 ILE 9 1HD1 ILE 9 13.821 -12.594 -6.674 19 2HD1 ILE 9 2HD1 ILE 9 13.449 -13.521 -8.147 20 3HD1 ILE 9 3HD1 ILE 9 13.249 -11.752 -8.135 21 H ALA 10 HN ALA 10 7.632 -12.213 -8.495 22 HA ALA 10 HA ALA 10 7.403 -14.920 -7.658 23 1HB ALA 10 1HB ALA 10 5.377 -14.225 -6.909 24 2HB ALA 10 2HB ALA 10 5.976 -12.595 -7.298 25 3HB ALA 10 3HB ALA 10 4.954 -13.469 -8.464 26 H LEU 11 HN LEU 11 6.532 -13.049 -10.630 27 HA LEU 11 HA LEU 11 5.248 -15.091 -11.971 28 1HB LEU 11 2HB LEU 11 5.113 -13.605 -13.613 29 2HB LEU 11 3HB LEU 11 5.799 -12.493 -12.445 30 HG LEU 11 HG LEU 11 8.081 -13.055 -13.370 31 1HD1 LEU 11 1HD1 LEU 11 7.612 -13.878 -15.932 32 2HD1 LEU 11 2HD1 LEU 11 8.164 -14.925 -14.602 33 3HD1 LEU 11 3HD1 LEU 11 6.435 -14.853 -15.018 34 1HD2 LEU 11 1HD2 LEU 11 6.105 -11.280 -14.290 35 2HD2 LEU 11 2HD2 LEU 11 7.868 -11.159 -14.502 36 3HD2 LEU 11 3HD2 LEU 11 6.873 -11.954 -15.747 37 H ILE 12 HN ILE 12 8.733 -14.397 -11.532 38 HA ILE 12 HA ILE 12 9.594 -16.287 -13.449 39 HB ILE 12 HB ILE 12 10.983 -14.992 -11.102 40 1HG1 ILE 12 2HG1 ILE 12 10.265 -13.352 -12.705 41 2HG1 ILE 12 3HG1 ILE 12 11.998 -13.563 -12.852 42 1HG2 ILE 12 1HG2 ILE 12 11.960 -17.209 -11.911 43 2HG2 ILE 12 2HG2 ILE 12 12.344 -16.355 -13.425 44 3HG2 ILE 12 3HG2 ILE 12 13.044 -15.797 -11.886 45 1HD1 ILE 12 1HD1 ILE 12 9.928 -13.993 -14.853 46 2HD1 ILE 12 2HD1 ILE 12 11.695 -13.966 -15.059 47 3HD1 ILE 12 3HD1 ILE 12 10.873 -15.482 -14.616 48 H THR 13 HN THR 13 9.496 -16.368 -9.814 49 HA THR 13 HA THR 13 10.340 -18.907 -9.397 50 HB THR 13 HB THR 13 8.079 -17.347 -8.039 51 HG1 THR 13 HG1 THR 13 10.970 -17.736 -7.707 52 1HG2 THR 13 1HG2 THR 13 8.392 -18.726 -6.118 53 2HG2 THR 13 2HG2 THR 13 8.362 -19.902 -7.454 54 3HG2 THR 13 3HG2 THR 13 9.915 -19.400 -6.744 55 H MET 14 HN MET 14 7.061 -17.900 -10.485 56 HA MET 14 HA MET 14 6.177 -20.607 -10.442 57 1HB MET 14 2HB MET 14 4.081 -19.627 -11.351 58 2HB MET 14 3HB MET 14 4.663 -18.639 -10.026 59 1HG MET 14 2HG MET 14 5.541 -16.958 -11.524 60 2HG MET 14 3HG MET 14 5.399 -18.012 -12.916 61 1HE MET 14 1HE MET 14 2.660 -16.357 -14.424 62 2HE MET 14 2HE MET 14 3.696 -15.191 -13.568 63 3HE MET 14 3HE MET 14 4.411 -16.649 -14.296 64 H ALA 15 HN ALA 15 7.778 -18.450 -12.702 65 HA ALA 15 HA ALA 15 6.920 -19.783 -15.066 66 1HB ALA 15 1HB ALA 15 8.663 -18.396 -16.126 67 2HB ALA 15 2HB ALA 15 7.665 -17.427 -15.016 68 3HB ALA 15 3HB ALA 15 9.292 -17.952 -14.521 69 H ILE 16 HN ILE 16 9.945 -19.803 -13.060 70 HA ILE 16 HA ILE 16 11.096 -21.883 -14.623 71 HB ILE 16 HB ILE 16 11.988 -21.190 -11.855 72 1HG1 ILE 16 2HG1 ILE 16 11.523 -19.010 -12.631 73 2HG1 ILE 16 3HG1 ILE 16 13.244 -19.245 -12.868 74 1HG2 ILE 16 1HG2 ILE 16 13.013 -22.723 -13.960 75 2HG2 ILE 16 2HG2 ILE 16 13.986 -21.233 -13.948 76 3HG2 ILE 16 3HG2 ILE 16 13.854 -22.222 -12.474 77 1HD1 ILE 16 1HD1 ILE 16 13.075 -19.267 -15.176 78 2HD1 ILE 16 2HD1 ILE 16 11.463 -20.022 -15.155 79 3HD1 ILE 16 3HD1 ILE 16 11.636 -18.283 -14.815 80 H ARG 17 HN ARG 17 9.076 -21.658 -11.694 81 HA ARG 17 HA ARG 17 9.498 -24.029 -10.546 82 1HB ARG 17 2HB ARG 17 7.243 -22.147 -10.770 83 2HB ARG 17 3HB ARG 17 6.675 -23.790 -10.547 84 1HG ARG 17 2HG ARG 17 8.924 -22.777 -8.795 85 2HG ARG 17 3HG ARG 17 7.286 -22.262 -8.446 86 1HD ARG 17 2HD ARG 17 6.819 -24.926 -8.739 87 2HD ARG 17 3HD ARG 17 8.499 -25.007 -8.248 88 HE ARG 17 HE ARG 17 7.790 -24.518 -6.088 89 1HH1 ARG 17 2HH2 ARG 17 5.515 -23.070 -8.349 90 2HH1 ARG 17 1HH2 ARG 17 4.487 -22.436 -7.106 91 1HH2 ARG 17 2HH1 ARG 17 6.435 -23.682 -4.449 92 2HH2 ARG 17 1HH1 ARG 17 5.014 -22.787 -4.873 93 H ASP 18 HN ASP 18 8.168 -23.414 -13.733 94 HA ASP 18 HA ASP 18 6.607 -25.646 -14.071 95 1HB ASP 18 2HB ASP 18 7.062 -23.577 -15.620 96 2HB ASP 18 3HB ASP 18 8.404 -24.513 -16.247 97 H SER 19 HN SER 19 10.136 -25.134 -14.089 98 HA SER 19 HA SER 19 10.799 -27.499 -15.429 99 1HB SER 19 2HB SER 19 12.987 -26.847 -15.082 100 2HB SER 19 3HB SER 19 12.198 -25.310 -14.787 101 HG SER 19 HG SER 19 12.593 -25.449 -12.643 102 H ALA 20 HN ALA 20 11.292 -26.633 -11.921 103 HA ALA 20 HA ALA 20 10.780 -27.831 -10.086 104 1HB ALA 20 1HB ALA 20 9.093 -29.034 -11.780 105 2HB ALA 20 2HB ALA 20 10.248 -30.374 -11.585 106 3HB ALA 20 3HB ALA 20 9.424 -29.695 -10.161 107 H GLY 21 HN GLY 21 13.332 -27.332 -10.919 108 1HA GLY 21 1HA GLY 21 15.453 -27.999 -10.600 109 2HA GLY 21 2HA GLY 21 14.829 -29.324 -9.637 110 H GLY 22 HN GLY 22 14.822 -28.363 -13.153 111 1HA GLY 22 1HA GLY 22 16.174 -30.842 -13.838 112 2HA GLY 22 2HA GLY 22 14.518 -30.708 -14.396 113 H ARG 23 HN ARG 23 13.934 -28.620 -15.621 114 HA ARG 23 HA ARG 23 16.131 -27.231 -16.753 115 1HB ARG 23 2HB ARG 23 15.623 -27.872 -19.125 116 2HB ARG 23 3HB ARG 23 16.195 -29.235 -18.185 117 1HG ARG 23 2HG ARG 23 13.373 -29.206 -17.819 118 2HG ARG 23 3HG ARG 23 13.620 -28.873 -19.521 119 1HD ARG 23 2HD ARG 23 15.174 -30.887 -19.629 120 2HD ARG 23 3HD ARG 23 14.753 -31.249 -17.967 121 HE ARG 23 HE ARG 23 12.382 -30.919 -19.622 122 1HH1 ARG 23 2HH2 ARG 23 14.910 -33.198 -18.727 123 2HH1 ARG 23 1HH2 ARG 23 13.958 -34.596 -19.099 124 1HH2 ARG 23 2HH1 ARG 23 11.126 -32.763 -20.113 125 2HH2 ARG 23 1HH1 ARG 23 11.791 -34.347 -19.893 126 H LEU 24 HN LEU 24 15.437 -25.170 -17.392 127 HA LEU 24 HA LEU 24 12.524 -24.819 -17.573 128 1HB LEU 24 2HB LEU 24 13.272 -23.889 -15.517 129 2HB LEU 24 3HB LEU 24 14.627 -23.086 -16.286 130 HG LEU 24 HG LEU 24 12.728 -21.591 -15.628 131 1HD1 LEU 24 1HD1 LEU 24 13.091 -20.134 -17.368 132 2HD1 LEU 24 2HD1 LEU 24 14.460 -21.253 -17.568 133 3HD1 LEU 24 3HD1 LEU 24 13.022 -21.413 -18.605 134 1HD2 LEU 24 1HD2 LEU 24 10.655 -21.605 -16.707 135 2HD2 LEU 24 2HD2 LEU 24 11.228 -22.681 -18.004 136 3HD2 LEU 24 3HD2 LEU 24 10.978 -23.321 -16.361 137 H THR 25 HN THR 25 11.751 -23.899 -19.418 138 HA THR 25 HA THR 25 13.781 -22.984 -21.335 139 HB THR 25 HB THR 25 12.200 -23.696 -23.028 140 HG1 THR 25 HG1 THR 25 10.321 -22.788 -21.907 141 1HG2 THR 25 1HG2 THR 25 11.549 -26.015 -22.356 142 2HG2 THR 25 2HG2 THR 25 13.230 -25.669 -21.884 143 3HG2 THR 25 3HG2 THR 25 11.936 -25.627 -20.662 144 H LEU 26 HN LEU 26 14.013 -20.881 -21.728 145 HA LEU 26 HA LEU 26 12.181 -19.046 -20.533 146 1HB LEU 26 2HB LEU 26 14.708 -18.819 -22.138 147 2HB LEU 26 3HB LEU 26 13.727 -17.404 -21.811 148 HG LEU 26 HG LEU 26 15.558 -17.600 -20.218 149 1HD1 LEU 26 1HD1 LEU 26 12.830 -17.248 -19.575 150 2HD1 LEU 26 2HD1 LEU 26 13.555 -18.182 -18.244 151 3HD1 LEU 26 3HD1 LEU 26 14.256 -16.616 -18.718 152 1HD2 LEU 26 1HD2 LEU 26 15.974 -19.948 -20.183 153 2HD2 LEU 26 2HD2 LEU 26 15.537 -19.454 -18.530 154 3HD2 LEU 26 3HD2 LEU 26 14.345 -20.291 -19.553 155 H ALA 27 HN ALA 27 12.484 -20.694 -23.595 156 HA ALA 27 HA ALA 27 11.200 -18.761 -25.199 157 1HB ALA 27 1HB ALA 27 10.955 -21.687 -25.785 158 2HB ALA 27 2HB ALA 27 11.418 -20.343 -26.856 159 3HB ALA 27 3HB ALA 27 12.595 -21.002 -25.694 160 H GLU 28 HN GLU 28 9.998 -21.826 -23.649 161 HA GLU 28 HA GLU 28 7.353 -21.333 -24.340 162 1HB GLU 28 2HB GLU 28 8.423 -23.546 -23.626 163 2HB GLU 28 3HB GLU 28 8.328 -22.981 -21.970 164 1HG GLU 28 2HG GLU 28 5.787 -22.704 -23.496 165 2HG GLU 28 3HG GLU 28 6.320 -24.360 -23.290 166 H ILE 29 HN ILE 29 9.378 -20.347 -21.572 167 HA ILE 29 HA ILE 29 7.264 -19.541 -19.900 168 HB ILE 29 HB ILE 29 10.186 -19.356 -19.989 169 1HG1 ILE 29 2HG1 ILE 29 9.979 -19.973 -17.661 170 2HG1 ILE 29 3HG1 ILE 29 8.266 -19.603 -17.658 171 1HG2 ILE 29 1HG2 ILE 29 10.006 -17.035 -19.831 172 2HG2 ILE 29 2HG2 ILE 29 8.548 -17.117 -18.814 173 3HG2 ILE 29 3HG2 ILE 29 10.131 -17.570 -18.138 174 1HD1 ILE 29 1HD1 ILE 29 8.124 -21.356 -19.622 175 2HD1 ILE 29 2HD1 ILE 29 9.704 -21.900 -19.009 176 3HD1 ILE 29 3HD1 ILE 29 8.276 -21.940 -17.947 177 H ASN 30 HN ASN 30 9.161 -17.919 -22.487 178 HA ASN 30 HA ASN 30 8.244 -15.371 -22.002 179 1HB ASN 30 2HB ASN 30 10.002 -16.468 -23.767 180 2HB ASN 30 3HB ASN 30 8.643 -16.272 -24.855 181 1HD2 ASN 30 1HD2 ASN 30 11.307 -14.935 -24.582 182 2HD2 ASN 30 2HD2 ASN 30 10.989 -13.232 -24.555 183 H GLU 31 HN GLU 31 7.054 -17.997 -24.224 184 HA GLU 31 HA GLU 31 4.916 -16.509 -25.214 185 1HB GLU 31 2HB GLU 31 5.928 -18.548 -26.290 186 2HB GLU 31 3HB GLU 31 5.203 -19.541 -25.041 187 1HG GLU 31 2HG GLU 31 3.207 -17.751 -26.227 188 2HG GLU 31 3HG GLU 31 3.998 -18.703 -27.468 189 H TYR 32 HN TYR 32 5.420 -18.363 -22.255 190 HA TYR 32 HA TYR 32 2.620 -18.654 -21.690 191 1HB TYR 32 2HB TYR 32 3.982 -20.305 -20.659 192 2HB TYR 32 3HB TYR 32 5.349 -19.217 -20.520 193 HD1 TYR 32 HD1 TYR 32 6.015 -18.810 -18.345 194 HD2 TYR 32 HD2 TYR 32 1.846 -19.336 -19.149 195 HE1 TYR 32 HE1 TYR 32 5.490 -18.474 -15.880 196 HE2 TYR 32 HE2 TYR 32 1.335 -18.998 -16.682 197 HH TYR 32 HH TYR 32 2.568 -19.307 -14.532 198 H LEU 33 HN LEU 33 5.158 -16.252 -21.154 199 HA LEU 33 HA LEU 33 3.822 -14.996 -18.964 200 1HB LEU 33 2HB LEU 33 6.327 -14.771 -20.397 201 2HB LEU 33 3HB LEU 33 5.612 -13.192 -20.139 202 HG LEU 33 HG LEU 33 5.657 -13.418 -17.787 203 1HD1 LEU 33 1HD1 LEU 33 6.585 -15.690 -16.832 204 2HD1 LEU 33 2HD1 LEU 33 4.856 -15.483 -17.199 205 3HD1 LEU 33 3HD1 LEU 33 5.912 -16.347 -18.343 206 1HD2 LEU 33 1HD2 LEU 33 8.200 -14.677 -17.803 207 2HD2 LEU 33 2HD2 LEU 33 8.029 -13.796 -19.340 208 3HD2 LEU 33 3HD2 LEU 33 7.820 -12.938 -17.794 209 H MET 34 HN MET 34 4.287 -14.241 -22.484 210 HA MET 34 HA MET 34 2.640 -11.987 -22.372 211 1HB MET 34 2HB MET 34 3.633 -13.820 -24.610 212 2HB MET 34 3HB MET 34 2.615 -12.438 -24.964 213 1HG MET 34 2HG MET 34 4.280 -10.929 -23.850 214 2HG MET 34 3HG MET 34 5.298 -12.312 -23.501 215 1HE MET 34 1HE MET 34 6.103 -13.702 -27.002 216 2HE MET 34 2HE MET 34 7.067 -13.359 -25.545 217 3HE MET 34 3HE MET 34 5.468 -14.127 -25.394 218 H GLY 35 HN GLY 35 2.006 -15.442 -22.647 219 1HA GLY 35 1HA GLY 35 -0.620 -15.158 -23.795 220 2HA GLY 35 2HA GLY 35 0.127 -16.612 -23.165 221 H LYS 36 HN LYS 36 0.829 -14.947 -20.597 222 HA LYS 36 HA LYS 36 -1.805 -15.344 -19.377 223 1HB LYS 36 2HB LYS 36 1.014 -15.562 -18.322 224 2HB LYS 36 3HB LYS 36 -0.349 -15.370 -17.238 225 1HG LYS 36 2HG LYS 36 -0.619 -17.461 -19.379 226 2HG LYS 36 3HG LYS 36 0.524 -17.798 -18.094 227 1HD LYS 36 2HD LYS 36 -1.133 -18.180 -16.575 228 2HD LYS 36 3HD LYS 36 -1.997 -16.725 -17.026 229 1HE LYS 36 2HE LYS 36 -2.044 -19.185 -18.816 230 2HE LYS 36 3HE LYS 36 -3.147 -19.036 -17.463 231 1HZ LYS 36 1HZ LYS 36 -3.340 -17.844 -19.955 232 2HZ LYS 36 2HZ LYS 36 -4.385 -17.733 -18.704 233 3HZ LYS 36 3HZ LYS 36 -3.178 -16.644 -18.859 234 H PHE 37 HN PHE 37 1.121 -13.198 -19.114 235 HA PHE 37 HA PHE 37 -0.443 -11.166 -17.857 236 1HB PHE 37 2HB PHE 37 2.384 -11.471 -19.005 237 2HB PHE 37 3HB PHE 37 1.850 -9.934 -18.355 238 HD1 PHE 37 HD1 PHE 37 2.653 -9.512 -16.248 239 HD2 PHE 37 HD2 PHE 37 1.632 -13.505 -17.255 240 HE1 PHE 37 HE1 PHE 37 3.305 -10.260 -13.942 241 HE2 PHE 37 HE2 PHE 37 2.284 -14.254 -14.950 242 HZ PHE 37 HZ PHE 37 3.113 -12.622 -13.321 243 HA PRO 38 HA PRO 38 -1.680 -9.492 -21.729 244 1HB PRO 38 2HB PRO 38 -3.549 -7.756 -20.749 245 2HB PRO 38 3HB PRO 38 -3.901 -9.430 -21.128 246 1HG PRO 38 2HG PRO 38 -3.541 -8.164 -18.481 247 2HG PRO 38 3HG PRO 38 -4.296 -9.697 -18.871 248 1HD PRO 38 2HD PRO 38 -1.682 -9.307 -17.757 249 2HD PRO 38 3HD PRO 38 -2.393 -10.829 -18.255 250 H PHE 39 HN PHE 39 -0.893 -7.539 -18.928 251 HA PHE 39 HA PHE 39 -0.464 -5.176 -20.335 252 1HB PHE 39 2HB PHE 39 1.066 -6.228 -17.889 253 2HB PHE 39 3HB PHE 39 0.697 -4.552 -18.244 254 HD1 PHE 39 HD1 PHE 39 -0.202 -7.247 -16.264 255 HD2 PHE 39 HD2 PHE 39 -1.950 -4.109 -18.523 256 HE1 PHE 39 HE1 PHE 39 -2.289 -7.413 -14.879 257 HE2 PHE 39 HE2 PHE 39 -4.037 -4.275 -17.138 258 HZ PHE 39 HZ PHE 39 -4.182 -5.925 -15.333 259 H PHE 40 HN PHE 40 1.539 -8.083 -19.882 260 HA PHE 40 HA PHE 40 3.952 -6.805 -20.699 261 1HB PHE 40 2HB PHE 40 2.864 -9.586 -20.134 262 2HB PHE 40 3HB PHE 40 4.363 -9.489 -21.036 263 HD1 PHE 40 HD1 PHE 40 5.985 -10.246 -19.551 264 HD2 PHE 40 HD2 PHE 40 3.187 -7.342 -18.230 265 HE1 PHE 40 HE1 PHE 40 7.261 -9.994 -17.405 266 HE2 PHE 40 HE2 PHE 40 4.463 -7.090 -16.083 267 HZ PHE 40 HZ PHE 40 6.484 -8.418 -15.696 268 H ARG 41 HN ARG 41 1.229 -8.437 -22.287 269 HA ARG 41 HA ARG 41 2.753 -8.521 -24.743 270 1HB ARG 41 2HB ARG 41 1.345 -10.513 -23.931 271 2HB ARG 41 3HB ARG 41 -0.083 -9.546 -24.240 272 1HG ARG 41 2HG ARG 41 1.137 -9.221 -26.640 273 2HG ARG 41 3HG ARG 41 1.853 -10.758 -26.197 274 1HD ARG 41 2HD ARG 41 -0.297 -11.837 -26.027 275 2HD ARG 41 3HD ARG 41 -1.154 -10.309 -26.016 276 HE ARG 41 HE ARG 41 0.403 -10.590 -28.443 277 1HH1 ARG 41 2HH2 ARG 41 -2.574 -11.652 -26.897 278 2HH1 ARG 41 1HH2 ARG 41 -3.393 -11.957 -28.393 279 1HH2 ARG 41 2HH1 ARG 41 -0.676 -10.993 -30.417 280 2HH2 ARG 41 1HH1 ARG 41 -2.306 -11.579 -30.408 281 H GLY 42 HN GLY 42 1.891 -5.958 -23.533 282 1HA GLY 42 1HA GLY 42 0.352 -4.941 -25.804 283 2HA GLY 42 2HA GLY 42 -0.317 -4.704 -24.202 284 H SER 43 HN SER 43 1.997 -4.257 -22.640 285 HA SER 43 HA SER 43 2.473 -1.576 -23.297 286 1HB SER 43 2HB SER 43 3.608 -3.471 -21.212 287 2HB SER 43 3HB SER 43 4.199 -1.827 -21.356 288 HG SER 43 HG SER 43 1.760 -2.777 -20.340 289 H TYR 44 HN TYR 44 5.012 -4.081 -22.611 290 HA TYR 44 HA TYR 44 6.256 -3.657 -25.162 291 1HB TYR 44 2HB TYR 44 8.195 -2.503 -24.275 292 2HB TYR 44 3HB TYR 44 6.847 -1.695 -23.500 293 HD1 TYR 44 HD1 TYR 44 6.159 -2.551 -21.136 294 HD2 TYR 44 HD2 TYR 44 9.919 -3.428 -22.979 295 HE1 TYR 44 HE1 TYR 44 7.159 -3.080 -18.860 296 HE2 TYR 44 HE2 TYR 44 10.907 -3.955 -20.696 297 HH TYR 44 HH TYR 44 10.407 -3.250 -18.315 298 H THR 45 HN THR 45 7.100 -5.592 -25.749 299 HA THR 45 HA THR 45 7.505 -7.577 -23.655 300 HB THR 45 HB THR 45 7.637 -9.101 -25.676 301 HG1 THR 45 HG1 THR 45 8.495 -7.476 -27.139 302 1HG2 THR 45 1HG2 THR 45 5.302 -8.137 -26.708 303 2HG2 THR 45 2HG2 THR 45 5.364 -9.040 -25.176 304 3HG2 THR 45 3HG2 THR 45 5.316 -7.261 -25.159 305 H GLY 46 HN GLY 46 9.336 -5.366 -23.628 306 1HA GLY 46 1HA GLY 46 11.799 -6.653 -24.632 307 2HA GLY 46 2HA GLY 46 11.579 -4.935 -24.365 308 H TRP 47 HN TRP 47 10.874 -7.901 -22.373 309 HA TRP 47 HA TRP 47 12.575 -6.722 -20.286 310 1HB TRP 47 2HB TRP 47 10.809 -8.065 -18.797 311 2HB TRP 47 3HB TRP 47 10.658 -6.364 -19.189 312 HD1 TRP 47 HD1 TRP 47 8.266 -5.769 -20.029 313 HE1 TRP 47 HE1 TRP 47 6.248 -6.934 -21.269 314 HE3 TRP 47 HE3 TRP 47 10.576 -10.250 -20.690 315 HZ2 TRP 47 HZ2 TRP 47 5.854 -9.541 -22.362 316 HZ3 TRP 47 HZ3 TRP 47 9.305 -12.052 -21.853 317 HH2 TRP 47 HH2 TRP 47 7.023 -11.753 -22.677 318 H ARG 48 HN ARG 48 12.408 -8.991 -22.612 319 HA ARG 48 HA ARG 48 12.594 -11.412 -21.382 320 1HB ARG 48 2HB ARG 48 12.504 -10.946 -23.881 321 2HB ARG 48 3HB ARG 48 14.195 -10.492 -23.822 322 1HG ARG 48 2HG ARG 48 14.496 -12.875 -22.667 323 2HG ARG 48 3HG ARG 48 12.953 -13.224 -23.421 324 1HD ARG 48 2HD ARG 48 15.092 -11.954 -25.131 325 2HD ARG 48 3HD ARG 48 15.283 -13.644 -24.709 326 HE ARG 48 HE ARG 48 12.630 -13.443 -25.562 327 1HH1 ARG 48 2HH2 ARG 48 15.775 -12.719 -26.967 328 2HH1 ARG 48 1HH2 ARG 48 15.259 -13.018 -28.593 329 1HH2 ARG 48 2HH1 ARG 48 11.950 -13.837 -27.708 330 2HH2 ARG 48 1HH1 ARG 48 13.069 -13.658 -29.018 331 H ASN 49 HN ASN 49 15.060 -8.845 -21.873 332 HA ASN 49 HA ASN 49 17.220 -10.435 -21.056 333 1HB ASN 49 2HB ASN 49 16.995 -8.002 -22.277 334 2HB ASN 49 3HB ASN 49 17.283 -7.450 -20.639 335 1HD2 ASN 49 1HD2 ASN 49 18.867 -7.545 -23.231 336 2HD2 ASN 49 2HD2 ASN 49 20.415 -8.187 -22.797 337 H SER 50 HN SER 50 15.234 -7.811 -19.490 338 HA SER 50 HA SER 50 16.503 -7.891 -17.049 339 1HB SER 50 2HB SER 50 13.628 -7.158 -17.756 340 2HB SER 50 3HB SER 50 14.357 -6.836 -16.195 341 HG SER 50 HG SER 50 14.800 -5.580 -18.695 342 H VAL 51 HN VAL 51 13.405 -9.478 -18.117 343 HA VAL 51 HA VAL 51 12.865 -10.811 -15.769 344 HB VAL 51 HB VAL 51 11.605 -10.507 -18.067 345 1HG1 VAL 51 1HG1 VAL 51 13.066 -11.880 -19.426 346 2HG1 VAL 51 2HG1 VAL 51 12.843 -13.267 -18.333 347 3HG1 VAL 51 3HG1 VAL 51 11.474 -12.667 -19.300 348 1HG2 VAL 51 1HG2 VAL 51 10.582 -12.988 -17.152 349 2HG2 VAL 51 2HG2 VAL 51 11.245 -12.147 -15.730 350 3HG2 VAL 51 3HG2 VAL 51 10.020 -11.348 -16.745 351 H ARG 52 HN ARG 52 14.951 -11.764 -18.558 352 HA ARG 52 HA ARG 52 15.476 -14.309 -17.653 353 1HB ARG 52 2HB ARG 52 16.834 -12.357 -19.510 354 2HB ARG 52 3HB ARG 52 17.757 -13.763 -19.015 355 1HG ARG 52 2HG ARG 52 15.983 -15.272 -19.837 356 2HG ARG 52 3HG ARG 52 14.952 -13.907 -20.218 357 1HD ARG 52 2HD ARG 52 16.542 -13.113 -21.926 358 2HD ARG 52 3HD ARG 52 17.704 -14.344 -21.474 359 HE ARG 52 HE ARG 52 15.077 -15.411 -22.251 360 1HH1 ARG 52 2HH2 ARG 52 18.280 -14.471 -23.362 361 2HH1 ARG 52 1HH2 ARG 52 18.212 -15.449 -24.790 362 1HH2 ARG 52 2HH1 ARG 52 14.986 -16.702 -24.135 363 2HH2 ARG 52 1HH1 ARG 52 16.326 -16.726 -25.233 364 H HIS 53 HN HIS 53 17.123 -11.148 -17.055 365 HA HIS 53 HA HIS 53 19.339 -12.105 -15.730 366 1HB HIS 53 2HB HIS 53 17.789 -9.521 -15.503 367 2HB HIS 53 3HB HIS 53 19.259 -9.808 -14.593 368 HD1 HIS 53 HD1 HIS 53 19.163 -7.542 -16.678 369 HD2 HIS 53 HD2 HIS 53 20.494 -11.431 -17.516 370 HE1 HIS 53 HE1 HIS 53 20.677 -7.354 -18.723 371 H ASN 54 HN ASN 54 16.087 -11.170 -14.430 372 HA ASN 54 HA ASN 54 16.776 -11.776 -11.795 373 1HB ASN 54 2HB ASN 54 14.490 -10.787 -13.237 374 2HB ASN 54 3HB ASN 54 13.929 -12.156 -12.298 375 1HD2 ASN 54 1HD2 ASN 54 13.090 -9.572 -11.826 376 2HD2 ASN 54 2HD2 ASN 54 13.657 -9.023 -10.284 377 H LEU 55 HN LEU 55 15.543 -13.613 -14.593 378 HA LEU 55 HA LEU 55 14.451 -15.803 -13.309 379 1HB LEU 55 2HB LEU 55 14.480 -15.088 -15.787 380 2HB LEU 55 3HB LEU 55 15.989 -15.973 -15.885 381 HG LEU 55 HG LEU 55 14.041 -17.651 -14.611 382 1HD1 LEU 55 1HD1 LEU 55 12.255 -16.441 -15.575 383 2HD1 LEU 55 2HD1 LEU 55 13.098 -16.282 -17.135 384 3HD1 LEU 55 3HD1 LEU 55 12.494 -17.871 -16.607 385 1HD2 LEU 55 1HD2 LEU 55 15.331 -17.831 -17.348 386 2HD2 LEU 55 2HD2 LEU 55 16.050 -18.395 -15.821 387 3HD2 LEU 55 3HD2 LEU 55 14.568 -19.160 -16.443 388 H SER 56 HN SER 56 17.857 -15.256 -14.437 389 HA SER 56 HA SER 56 18.673 -17.684 -13.208 390 1HB SER 56 2HB SER 56 20.311 -17.416 -14.737 391 2HB SER 56 3HB SER 56 19.743 -15.798 -15.101 392 HG SER 56 HG SER 56 21.791 -15.434 -14.366 393 H LEU 57 HN LEU 57 18.556 -14.218 -12.408 394 HA LEU 57 HA LEU 57 20.304 -14.502 -10.146 395 1HB LEU 57 2HB LEU 57 18.613 -12.258 -11.236 396 2HB LEU 57 3HB LEU 57 19.490 -12.128 -9.725 397 HG LEU 57 HG LEU 57 20.883 -12.851 -12.304 398 1HD1 LEU 57 1HD1 LEU 57 20.353 -10.069 -11.227 399 2HD1 LEU 57 2HD1 LEU 57 21.474 -10.468 -12.551 400 3HD1 LEU 57 3HD1 LEU 57 19.729 -10.767 -12.741 401 1HD2 LEU 57 1HD2 LEU 57 21.687 -12.445 -9.546 402 2HD2 LEU 57 2HD2 LEU 57 22.601 -13.115 -10.919 403 3HD2 LEU 57 3HD2 LEU 57 22.559 -11.356 -10.651 404 H ASN 58 HN ASN 58 17.302 -15.703 -10.768 405 HA ASN 58 HA ASN 58 16.256 -15.015 -8.155 406 1HB ASN 58 2HB ASN 58 14.571 -14.804 -9.854 407 2HB ASN 58 3HB ASN 58 15.074 -16.275 -10.663 408 1HD2 ASN 58 1HD2 ASN 58 14.085 -18.112 -10.224 409 2HD2 ASN 58 2HD2 ASN 58 12.971 -18.403 -8.931 410 H ASP 59 HN ASP 59 16.003 -18.004 -10.215 411 HA ASP 59 HA ASP 59 16.079 -19.685 -7.999 412 1HB ASP 59 2HB ASP 59 15.250 -20.016 -10.514 413 2HB ASP 59 3HB ASP 59 16.882 -20.601 -10.771 414 H CYS 60 HN CYS 60 18.457 -19.005 -10.681 415 HA CYS 60 HA CYS 60 20.689 -18.706 -10.425 416 1HB CYS 60 2HB CYS 60 20.257 -18.766 -7.828 417 2HB CYS 60 3HB CYS 60 20.857 -20.408 -7.951 418 HG CYS 60 HG CYS 60 22.278 -17.624 -9.053 419 H PHE 61 HN PHE 61 20.080 -20.156 -12.353 420 HA PHE 61 HA PHE 61 21.189 -22.834 -11.891 421 1HB PHE 61 2HB PHE 61 19.559 -23.145 -14.070 422 2HB PHE 61 3HB PHE 61 18.966 -23.369 -12.436 423 HD1 PHE 61 HD1 PHE 61 19.622 -20.398 -14.617 424 HD2 PHE 61 HD2 PHE 61 16.880 -22.465 -12.124 425 HE1 PHE 61 HE1 PHE 61 17.922 -18.589 -14.987 426 HE2 PHE 61 HE2 PHE 61 15.180 -20.656 -12.494 427 HZ PHE 61 HZ PHE 61 15.722 -18.739 -13.921 428 H VAL 62 HN VAL 62 21.212 -23.643 -14.614 429 HA VAL 62 HA VAL 62 23.116 -21.697 -15.723 430 HB VAL 62 HB VAL 62 23.087 -24.717 -15.787 431 1HG1 VAL 62 1HG1 VAL 62 23.708 -23.741 -18.003 432 2HG1 VAL 62 2HG1 VAL 62 25.039 -22.872 -17.202 433 3HG1 VAL 62 3HG1 VAL 62 25.025 -24.651 -17.225 434 1HG2 VAL 62 1HG2 VAL 62 24.883 -22.644 -14.516 435 2HG2 VAL 62 2HG2 VAL 62 24.041 -24.014 -13.752 436 3HG2 VAL 62 3HG2 VAL 62 25.434 -24.309 -14.821 437 H LYS 63 HN LYS 63 23.161 -21.517 -18.083 438 HA LYS 63 HA LYS 63 20.586 -22.317 -19.253 439 1HB LYS 63 2HB LYS 63 20.426 -20.276 -20.368 440 2HB LYS 63 3HB LYS 63 20.980 -19.831 -18.767 441 1HG LYS 63 2HG LYS 63 23.337 -20.370 -20.292 442 2HG LYS 63 3HG LYS 63 22.295 -19.420 -21.333 443 1HD LYS 63 2HD LYS 63 22.867 -18.623 -18.446 444 2HD LYS 63 3HD LYS 63 23.886 -18.108 -19.775 445 1HE LYS 63 2HE LYS 63 21.371 -17.475 -20.752 446 2HE LYS 63 3HE LYS 63 21.146 -17.208 -19.035 447 1HZ LYS 63 1HZ LYS 63 22.689 -15.716 -20.886 448 2HZ LYS 63 2HZ LYS 63 22.130 -15.282 -19.414 449 3HZ LYS 63 3HZ LYS 63 23.543 -16.089 -19.545 450 H VAL 64 HN VAL 64 20.602 -23.010 -21.467 451 HA VAL 64 HA VAL 64 23.294 -23.727 -22.406 452 HB VAL 64 HB VAL 64 22.445 -25.797 -23.197 453 1HG1 VAL 64 1HG1 VAL 64 21.093 -25.766 -20.534 454 2HG1 VAL 64 2HG1 VAL 64 22.297 -26.897 -21.198 455 3HG1 VAL 64 3HG1 VAL 64 22.810 -25.302 -20.597 456 1HG2 VAL 64 1HG2 VAL 64 20.295 -26.273 -23.652 457 2HG2 VAL 64 2HG2 VAL 64 19.723 -25.630 -22.094 458 3HG2 VAL 64 3HG2 VAL 64 20.018 -24.526 -23.459 459 H LEU 65 HN LEU 65 22.118 -21.234 -23.008 460 HA LEU 65 HA LEU 65 20.463 -21.004 -25.112 461 1HB LEU 65 2HB LEU 65 22.692 -19.472 -23.996 462 2HB LEU 65 3HB LEU 65 22.427 -19.160 -25.700 463 HG LEU 65 HG LEU 65 20.163 -19.042 -23.706 464 1HD1 LEU 65 1HD1 LEU 65 21.297 -16.457 -24.489 465 2HD1 LEU 65 2HD1 LEU 65 20.755 -17.045 -22.899 466 3HD1 LEU 65 3HD1 LEU 65 22.389 -17.440 -23.485 467 1HD2 LEU 65 1HD2 LEU 65 19.511 -19.167 -26.042 468 2HD2 LEU 65 2HD2 LEU 65 19.158 -17.550 -25.387 469 3HD2 LEU 65 3HD2 LEU 65 20.574 -17.796 -26.438 470 H ARG 66 HN ARG 66 20.663 -20.928 -27.430 471 HA ARG 66 HA ARG 66 21.126 -22.053 -29.253 472 1HB ARG 66 2HB ARG 66 22.670 -20.080 -29.342 473 2HB ARG 66 3HB ARG 66 23.933 -21.028 -28.582 474 1HG ARG 66 2HG ARG 66 24.108 -22.510 -30.485 475 2HG ARG 66 3HG ARG 66 22.615 -21.914 -31.182 476 1HD ARG 66 2HD ARG 66 23.755 -19.602 -31.342 477 2HD ARG 66 3HD ARG 66 25.255 -20.406 -30.925 478 HE ARG 66 HE ARG 66 23.850 -21.704 -33.139 479 1HH1 ARG 66 2HH2 ARG 66 26.098 -19.139 -32.276 480 2HH1 ARG 66 1HH2 ARG 66 26.827 -19.075 -33.847 481 1HH2 ARG 66 2HH1 ARG 66 24.810 -21.620 -35.211 482 2HH2 ARG 66 1HH1 ARG 66 26.089 -20.495 -35.527 483 H ASP 67 HN ASP 67 20.769 -24.136 -27.829 484 HA ASP 67 HA ASP 67 23.194 -25.584 -27.344 485 1HB ASP 67 2HB ASP 67 21.698 -27.314 -26.423 486 2HB ASP 67 3HB ASP 67 21.288 -25.743 -25.764 487 HA PRO 68 HA PRO 68 22.879 -27.604 -31.241 488 1HB PRO 68 2HB PRO 68 24.782 -29.535 -30.898 489 2HB PRO 68 3HB PRO 68 25.161 -27.889 -31.364 490 1HG PRO 68 2HG PRO 68 25.519 -29.200 -28.739 491 2HG PRO 68 3HG PRO 68 26.262 -27.732 -29.344 492 1HD PRO 68 2HD PRO 68 24.098 -27.915 -27.469 493 2HD PRO 68 3HD PRO 68 24.764 -26.449 -28.162 494 H SER 69 HN SER 69 20.622 -28.139 -30.504 495 HA SER 69 HA SER 69 20.453 -30.983 -30.748 496 1HB SER 69 2HB SER 69 19.095 -29.650 -28.371 497 2HB SER 69 3HB SER 69 19.131 -31.362 -28.744 498 HG SER 69 HG SER 69 21.650 -30.896 -28.621 499 H ARG 70 HN ARG 70 18.571 -27.997 -29.849 500 HA ARG 70 HA ARG 70 16.674 -28.804 -31.906 501 1HB ARG 70 2HB ARG 70 16.197 -27.202 -29.342 502 2HB ARG 70 3HB ARG 70 14.978 -27.448 -30.578 503 1HG ARG 70 2HG ARG 70 14.605 -29.636 -29.972 504 2HG ARG 70 3HG ARG 70 16.302 -29.954 -29.671 505 1HD ARG 70 2HD ARG 70 16.104 -29.508 -27.437 506 2HD ARG 70 3HD ARG 70 15.187 -28.042 -27.721 507 HE ARG 70 HE ARG 70 13.262 -29.255 -27.238 508 1HH1 ARG 70 2HH2 ARG 70 15.683 -31.481 -28.490 509 2HH1 ARG 70 1HH2 ARG 70 14.680 -32.880 -28.299 510 1HH2 ARG 70 2HH1 ARG 70 11.938 -31.101 -26.986 511 2HH2 ARG 70 1HH1 ARG 70 12.536 -32.662 -27.438 512 HA PRO 71 HA PRO 71 18.476 -24.877 -33.242 513 1HB PRO 71 2HB PRO 71 18.791 -25.529 -35.877 514 2HB PRO 71 3HB PRO 71 20.051 -25.747 -34.679 515 1HG PRO 71 2HG PRO 71 18.323 -27.785 -35.944 516 2HG PRO 71 3HG PRO 71 19.837 -28.007 -35.090 517 1HD PRO 71 2HD PRO 71 17.205 -28.549 -34.086 518 2HD PRO 71 3HD PRO 71 18.710 -28.660 -33.195 519 H TRP 72 HN TRP 72 15.919 -26.781 -34.636 520 HA TRP 72 HA TRP 72 14.629 -24.245 -35.383 521 1HB TRP 72 2HB TRP 72 14.308 -27.001 -36.584 522 2HB TRP 72 3HB TRP 72 13.324 -25.609 -36.993 523 HD1 TRP 72 HD1 TRP 72 15.571 -23.381 -37.354 524 HE1 TRP 72 HE1 TRP 72 17.312 -23.414 -39.337 525 HE3 TRP 72 HE3 TRP 72 15.168 -28.357 -38.322 526 HZ2 TRP 72 HZ2 TRP 72 18.303 -25.471 -41.049 527 HZ3 TRP 72 HZ3 TRP 72 16.557 -29.298 -40.166 528 HH2 TRP 72 HH2 TRP 72 18.084 -27.941 -41.508 529 H GLY 73 HN GLY 73 14.617 -24.993 -32.695 530 1HA GLY 73 1HA GLY 73 12.035 -26.363 -32.300 531 2HA GLY 73 2HA GLY 73 13.314 -26.196 -31.114 532 H LYS 74 HN LYS 74 11.997 -25.186 -29.523 533 HA LYS 74 HA LYS 74 10.326 -23.011 -30.083 534 1HB LYS 74 2HB LYS 74 10.928 -24.654 -27.891 535 2HB LYS 74 3HB LYS 74 11.362 -23.040 -27.365 536 1HG LYS 74 2HG LYS 74 9.049 -23.230 -26.827 537 2HG LYS 74 3HG LYS 74 9.074 -22.267 -28.291 538 1HD LYS 74 2HD LYS 74 8.903 -24.691 -29.460 539 2HD LYS 74 3HD LYS 74 8.207 -25.129 -27.913 540 1HE LYS 74 2HE LYS 74 6.519 -23.315 -28.130 541 2HE LYS 74 3HE LYS 74 7.241 -22.799 -29.641 542 1HZ LYS 74 1HZ LYS 74 5.308 -24.664 -29.361 543 2HZ LYS 74 2HZ LYS 74 6.196 -24.407 -30.708 544 3HZ LYS 74 3HZ LYS 74 6.640 -25.565 -29.646 545 H ASP 75 HN ASP 75 13.686 -23.174 -28.718 546 HA ASP 75 HA ASP 75 14.642 -21.087 -30.151 547 1HB ASP 75 2HB ASP 75 12.821 -20.093 -28.254 548 2HB ASP 75 3HB ASP 75 14.374 -19.859 -27.476 549 H ASN 76 HN ASN 76 14.568 -21.620 -26.539 550 HA ASN 76 HA ASN 76 16.907 -23.171 -26.585 551 1HB ASN 76 2HB ASN 76 18.284 -21.495 -25.193 552 2HB ASN 76 3HB ASN 76 18.134 -21.112 -26.897 553 1HD2 ASN 76 1HD2 ASN 76 17.958 -19.906 -23.851 554 2HD2 ASN 76 2HD2 ASN 76 16.971 -18.504 -24.095 555 H TYR 77 HN TYR 77 17.607 -23.614 -24.189 556 HA TYR 77 HA TYR 77 15.540 -22.891 -22.262 557 1HB TYR 77 2HB TYR 77 15.545 -25.409 -21.649 558 2HB TYR 77 3HB TYR 77 14.798 -25.045 -23.192 559 HD1 TYR 77 HD1 TYR 77 17.609 -26.669 -21.516 560 HD2 TYR 77 HD2 TYR 77 15.966 -25.585 -25.314 561 HE1 TYR 77 HE1 TYR 77 19.183 -28.298 -22.669 562 HE2 TYR 77 HE2 TYR 77 17.545 -27.219 -26.455 563 HH TYR 77 HH TYR 77 20.165 -28.272 -25.331 564 H TRP 78 HN TRP 78 16.198 -23.443 -19.997 565 HA TRP 78 HA TRP 78 19.133 -23.435 -19.792 566 1HB TRP 78 2HB TRP 78 17.152 -22.178 -17.888 567 2HB TRP 78 3HB TRP 78 18.900 -22.106 -17.790 568 HD1 TRP 78 HD1 TRP 78 18.326 -21.624 -21.338 569 HE1 TRP 78 HE1 TRP 78 18.218 -19.102 -22.106 570 HE3 TRP 78 HE3 TRP 78 17.685 -19.686 -16.681 571 HZ2 TRP 78 HZ2 TRP 78 17.884 -16.635 -20.712 572 HZ3 TRP 78 HZ3 TRP 78 17.477 -17.210 -16.472 573 HH2 TRP 78 HH2 TRP 78 17.567 -15.700 -18.391 574 H MET 79 HN MET 79 19.920 -24.452 -17.685 575 HA MET 79 HA MET 79 18.122 -26.643 -16.983 576 1HB MET 79 2HB MET 79 20.300 -27.922 -16.537 577 2HB MET 79 3HB MET 79 20.043 -27.510 -18.221 578 1HG MET 79 2HG MET 79 21.898 -26.182 -18.282 579 2HG MET 79 3HG MET 79 21.441 -25.343 -16.812 580 1HE MET 79 1HE MET 79 22.727 -27.693 -14.009 581 2HE MET 79 2HE MET 79 22.379 -25.986 -14.373 582 3HE MET 79 3HE MET 79 21.133 -27.227 -14.650 583 H LEU 80 HN LEU 80 17.480 -26.687 -14.872 584 HA LEU 80 HA LEU 80 19.234 -25.342 -12.937 585 1HB LEU 80 2HB LEU 80 17.294 -24.551 -11.764 586 2HB LEU 80 3HB LEU 80 17.287 -23.974 -13.419 587 HG LEU 80 HG LEU 80 15.660 -26.340 -12.453 588 1HD1 LEU 80 1HD1 LEU 80 13.990 -24.139 -13.092 589 2HD1 LEU 80 2HD1 LEU 80 14.222 -24.937 -11.518 590 3HD1 LEU 80 3HD1 LEU 80 15.241 -23.550 -11.971 591 1HD2 LEU 80 1HD2 LEU 80 16.168 -25.144 -15.075 592 2HD2 LEU 80 2HD2 LEU 80 15.479 -26.728 -14.643 593 3HD2 LEU 80 3HD2 LEU 80 14.437 -25.285 -14.688 594 H ASN 81 HN ASN 81 19.167 -26.238 -10.742 595 HA ASN 81 HA ASN 81 17.784 -28.646 -10.301 596 1HB ASN 81 2HB ASN 81 19.658 -30.200 -10.208 597 2HB ASN 81 3HB ASN 81 19.708 -29.434 -11.783 598 1HD2 ASN 81 1HD2 ASN 81 21.183 -27.716 -12.166 599 2HD2 ASN 81 2HD2 ASN 81 22.659 -27.576 -11.271 600 HA PRO 82 HA PRO 82 18.882 -27.296 -6.276 601 1HB PRO 82 2HB PRO 82 18.416 -29.528 -4.769 602 2HB PRO 82 3HB PRO 82 17.141 -28.454 -5.310 603 1HG PRO 82 2HG PRO 82 17.862 -31.134 -6.327 604 2HG PRO 82 3HG PRO 82 16.370 -30.241 -6.546 605 1HD PRO 82 2HD PRO 82 18.466 -30.583 -8.475 606 2HD PRO 82 3HD PRO 82 17.029 -29.595 -8.652 Start of MODEL 19 1 H TYR 8 HN TYR 8 -3.205 -7.656 5.837 2 HA TYR 8 HA TYR 8 -4.619 -9.408 7.620 3 1HB TYR 8 2HB TYR 8 -3.936 -9.085 4.825 4 2HB TYR 8 3HB TYR 8 -3.229 -10.611 5.317 5 HD1 TYR 8 HD1 TYR 8 -4.846 -12.243 6.632 6 HD2 TYR 8 HD2 TYR 8 -6.159 -9.034 4.125 7 HE1 TYR 8 HE1 TYR 8 -7.109 -13.370 6.362 8 HE2 TYR 8 HE2 TYR 8 -8.418 -10.172 3.863 9 HH TYR 8 HH TYR 8 -9.518 -12.466 5.845 10 H ILE 9 HN ILE 9 -1.265 -9.113 6.291 11 HA ILE 9 HA ILE 9 -0.255 -11.447 7.365 12 HB ILE 9 HB ILE 9 0.854 -10.074 5.686 13 1HG1 ILE 9 2HG1 ILE 9 2.977 -9.992 7.679 14 2HG1 ILE 9 3HG1 ILE 9 2.041 -11.469 7.801 15 1HG2 ILE 9 1HG2 ILE 9 2.112 -8.051 6.365 16 2HG2 ILE 9 2HG2 ILE 9 0.347 -7.855 6.487 17 3HG2 ILE 9 3HG2 ILE 9 1.316 -8.121 7.955 18 1HD1 ILE 9 1HD1 ILE 9 2.822 -12.272 5.813 19 2HD1 ILE 9 2HD1 ILE 9 2.630 -10.699 5.003 20 3HD1 ILE 9 3HD1 ILE 9 4.082 -11.026 5.979 21 H ALA 10 HN ALA 10 -0.541 -8.145 8.808 22 HA ALA 10 HA ALA 10 0.773 -8.757 11.191 23 1HB ALA 10 1HB ALA 10 -1.229 -6.689 10.282 24 2HB ALA 10 2HB ALA 10 -0.750 -6.775 11.994 25 3HB ALA 10 3HB ALA 10 0.479 -6.481 10.740 26 H LEU 11 HN LEU 11 -2.670 -9.059 10.161 27 HA LEU 11 HA LEU 11 -3.741 -9.697 12.626 28 1HB LEU 11 2HB LEU 11 -5.343 -9.280 11.091 29 2HB LEU 11 3HB LEU 11 -4.474 -10.062 9.785 30 HG LEU 11 HG LEU 11 -5.599 -11.790 11.953 31 1HD1 LEU 11 1HD1 LEU 11 -7.733 -11.288 11.623 32 2HD1 LEU 11 2HD1 LEU 11 -7.223 -9.907 10.623 33 3HD1 LEU 11 3HD1 LEU 11 -7.552 -11.483 9.863 34 1HD2 LEU 11 1HD2 LEU 11 -4.949 -13.369 10.541 35 2HD2 LEU 11 2HD2 LEU 11 -6.105 -12.756 9.334 36 3HD2 LEU 11 3HD2 LEU 11 -4.436 -12.137 9.363 37 H ILE 12 HN ILE 12 -2.134 -11.777 10.156 38 HA ILE 12 HA ILE 12 -2.641 -14.200 11.438 39 HB ILE 12 HB ILE 12 -0.452 -13.316 9.561 40 1HG1 ILE 12 2HG1 ILE 12 -2.839 -13.229 8.768 41 2HG1 ILE 12 3HG1 ILE 12 -1.768 -14.245 7.825 42 1HG2 ILE 12 1HG2 ILE 12 -1.173 -16.189 10.110 43 2HG2 ILE 12 2HG2 ILE 12 0.259 -15.521 9.291 44 3HG2 ILE 12 3HG2 ILE 12 0.078 -15.345 11.053 45 1HD1 ILE 12 1HD1 ILE 12 -4.120 -15.182 8.517 46 2HD1 ILE 12 2HD1 ILE 12 -2.702 -16.249 8.655 47 3HD1 ILE 12 3HD1 ILE 12 -3.360 -15.451 10.104 48 H THR 13 HN THR 13 0.290 -12.054 11.545 49 HA THR 13 HA THR 13 1.743 -13.521 13.362 50 HB THR 13 HB THR 13 1.507 -10.512 12.850 51 HG1 THR 13 HG1 THR 13 3.239 -12.757 12.089 52 1HG2 THR 13 1HG2 THR 13 2.694 -11.308 15.092 53 2HG2 THR 13 2HG2 THR 13 3.951 -11.913 13.986 54 3HG2 THR 13 3HG2 THR 13 3.546 -10.179 14.012 55 H MET 14 HN MET 14 -0.982 -11.270 13.948 56 HA MET 14 HA MET 14 -0.594 -11.383 16.756 57 1HB MET 14 2HB MET 14 -1.647 -9.424 15.651 58 2HB MET 14 3HB MET 14 -2.909 -10.438 14.977 59 1HG MET 14 2HG MET 14 -3.578 -11.037 17.383 60 2HG MET 14 3HG MET 14 -2.452 -9.810 17.931 61 1HE MET 14 1HE MET 14 -4.956 -9.793 14.719 62 2HE MET 14 2HE MET 14 -5.595 -10.726 16.094 63 3HE MET 14 3HE MET 14 -6.363 -9.190 15.627 64 H ALA 15 HN ALA 15 -2.218 -13.339 14.339 65 HA ALA 15 HA ALA 15 -4.093 -14.503 16.165 66 1HB ALA 15 1HB ALA 15 -4.152 -14.198 13.538 67 2HB ALA 15 2HB ALA 15 -3.273 -15.746 13.548 68 3HB ALA 15 3HB ALA 15 -4.885 -15.633 14.294 69 H ILE 16 HN ILE 16 -1.038 -15.564 14.512 70 HA ILE 16 HA ILE 16 -0.957 -18.015 15.925 71 HB ILE 16 HB ILE 16 1.346 -16.616 14.578 72 1HG1 ILE 16 2HG1 ILE 16 -0.403 -16.456 12.980 73 2HG1 ILE 16 3HG1 ILE 16 0.602 -17.808 12.499 74 1HG2 ILE 16 1HG2 ILE 16 1.061 -19.487 14.207 75 2HG2 ILE 16 2HG2 ILE 16 2.447 -18.537 14.795 76 3HG2 ILE 16 3HG2 ILE 16 1.170 -19.041 15.927 77 1HD1 ILE 16 1HD1 ILE 16 -0.982 -19.423 13.329 78 2HD1 ILE 16 2HD1 ILE 16 -1.898 -18.170 14.201 79 3HD1 ILE 16 3HD1 ILE 16 -1.927 -18.217 12.422 80 H ARG 17 HN ARG 17 0.167 -14.702 16.537 81 HA ARG 17 HA ARG 17 2.131 -15.081 18.303 82 1HB ARG 17 2HB ARG 17 0.169 -13.007 17.728 83 2HB ARG 17 3HB ARG 17 0.436 -13.072 19.459 84 1HG ARG 17 2HG ARG 17 3.030 -13.276 18.501 85 2HG ARG 17 3HG ARG 17 2.296 -12.247 17.287 86 1HD ARG 17 2HD ARG 17 1.637 -10.599 18.934 87 2HD ARG 17 3HD ARG 17 1.964 -11.690 20.266 88 HE ARG 17 HE ARG 17 4.253 -11.181 20.111 89 1HH1 ARG 17 2HH2 ARG 17 2.589 -10.026 17.233 90 2HH1 ARG 17 1HH2 ARG 17 3.957 -9.143 16.641 91 1HH2 ARG 17 2HH1 ARG 17 6.057 -10.016 19.330 92 2HH2 ARG 17 1HH1 ARG 17 5.943 -9.137 17.842 93 H ASP 18 HN ASP 18 -1.246 -15.978 18.641 94 HA ASP 18 HA ASP 18 -1.707 -15.860 21.277 95 1HB ASP 18 2HB ASP 18 -3.363 -16.711 19.702 96 2HB ASP 18 3HB ASP 18 -2.349 -18.079 19.287 97 H SER 19 HN SER 19 0.482 -18.014 19.466 98 HA SER 19 HA SER 19 0.898 -19.674 21.782 99 1HB SER 19 2HB SER 19 2.213 -21.084 20.321 100 2HB SER 19 3HB SER 19 0.756 -20.636 19.457 101 HG SER 19 HG SER 19 1.973 -19.754 17.943 102 H ALA 20 HN ALA 20 3.812 -20.050 20.681 103 HA ALA 20 HA ALA 20 5.141 -17.599 21.052 104 1HB ALA 20 1HB ALA 20 5.656 -19.390 23.398 105 2HB ALA 20 2HB ALA 20 5.776 -17.619 23.266 106 3HB ALA 20 3HB ALA 20 4.181 -18.393 23.428 107 H GLY 21 HN GLY 21 5.025 -19.879 19.227 108 1HA GLY 21 1HA GLY 21 6.652 -20.847 17.947 109 2HA GLY 21 2HA GLY 21 7.857 -20.474 19.163 110 H GLY 22 HN GLY 22 4.716 -22.247 19.522 111 1HA GLY 22 1HA GLY 22 6.220 -24.723 20.032 112 2HA GLY 22 2HA GLY 22 5.144 -24.101 21.268 113 H ARG 23 HN ARG 23 2.822 -23.486 20.414 114 HA ARG 23 HA ARG 23 1.993 -24.944 18.135 115 1HB ARG 23 2HB ARG 23 0.463 -26.501 19.303 116 2HB ARG 23 3HB ARG 23 2.114 -26.791 19.812 117 1HG ARG 23 2HG ARG 23 1.434 -24.965 21.700 118 2HG ARG 23 3HG ARG 23 -0.169 -25.586 21.356 119 1HD ARG 23 2HD ARG 23 0.353 -27.756 22.111 120 2HD ARG 23 3HD ARG 23 2.066 -27.575 21.790 121 HE ARG 23 HE ARG 23 1.306 -25.679 23.802 122 1HH1 ARG 23 2HH2 ARG 23 1.741 -29.144 23.371 123 2HH1 ARG 23 1HH2 ARG 23 2.118 -29.433 25.036 124 1HH2 ARG 23 2HH1 ARG 23 1.804 -26.060 25.999 125 2HH2 ARG 23 1HH1 ARG 23 2.154 -27.667 26.542 126 H LEU 24 HN LEU 24 -0.500 -24.718 17.868 127 HA LEU 24 HA LEU 24 -1.800 -22.819 19.552 128 1HB LEU 24 2HB LEU 24 -1.726 -20.926 18.345 129 2HB LEU 24 3HB LEU 24 -0.156 -21.570 17.911 130 HG LEU 24 HG LEU 24 -2.337 -22.417 16.117 131 1HD1 LEU 24 1HD1 LEU 24 -3.336 -20.397 16.066 132 2HD1 LEU 24 2HD1 LEU 24 -1.921 -19.553 16.740 133 3HD1 LEU 24 3HD1 LEU 24 -1.963 -19.981 15.013 134 1HD2 LEU 24 1HD2 LEU 24 -0.671 -21.818 14.397 135 2HD2 LEU 24 2HD2 LEU 24 0.402 -21.199 15.676 136 3HD2 LEU 24 3HD2 LEU 24 -0.020 -22.927 15.628 137 H THR 25 HN THR 25 -4.030 -22.224 18.445 138 HA THR 25 HA THR 25 -4.906 -24.527 16.840 139 HB THR 25 HB THR 25 -6.834 -24.789 18.312 140 HG1 THR 25 HG1 THR 25 -5.639 -22.540 19.763 141 1HG2 THR 25 1HG2 THR 25 -4.900 -25.882 19.340 142 2HG2 THR 25 2HG2 THR 25 -4.274 -24.322 19.925 143 3HG2 THR 25 3HG2 THR 25 -5.762 -25.003 20.626 144 H LEU 26 HN LEU 26 -5.722 -23.889 14.956 145 HA LEU 26 HA LEU 26 -6.229 -21.164 14.452 146 1HB LEU 26 2HB LEU 26 -6.490 -23.735 12.965 147 2HB LEU 26 3HB LEU 26 -7.337 -22.332 12.345 148 HG LEU 26 HG LEU 26 -5.117 -22.701 11.309 149 1HD1 LEU 26 1HD1 LEU 26 -6.223 -20.445 11.482 150 2HD1 LEU 26 2HD1 LEU 26 -5.162 -20.111 12.872 151 3HD1 LEU 26 3HD1 LEU 26 -4.456 -20.418 11.267 152 1HD2 LEU 26 1HD2 LEU 26 -3.071 -22.242 12.553 153 2HD2 LEU 26 2HD2 LEU 26 -4.011 -22.017 14.047 154 3HD2 LEU 26 3HD2 LEU 26 -3.953 -23.614 13.264 155 H ALA 27 HN ALA 27 -8.101 -23.739 15.867 156 HA ALA 27 HA ALA 27 -10.663 -22.920 15.104 157 1HB ALA 27 1HB ALA 27 -10.717 -24.012 17.739 158 2HB ALA 27 2HB ALA 27 -11.063 -24.838 16.200 159 3HB ALA 27 3HB ALA 27 -9.408 -24.832 16.855 160 H GLU 28 HN GLU 28 -8.644 -22.128 18.016 161 HA GLU 28 HA GLU 28 -10.597 -20.274 18.913 162 1HB GLU 28 2HB GLU 28 -8.477 -21.666 20.079 163 2HB GLU 28 3HB GLU 28 -7.884 -20.017 20.056 164 1HG GLU 28 2HG GLU 28 -9.213 -19.497 21.815 165 2HG GLU 28 3HG GLU 28 -10.636 -19.905 20.877 166 H ILE 29 HN ILE 29 -7.470 -20.165 17.152 167 HA ILE 29 HA ILE 29 -6.998 -17.449 17.299 168 HB ILE 29 HB ILE 29 -6.076 -19.728 15.789 169 1HG1 ILE 29 2HG1 ILE 29 -3.944 -18.425 15.875 170 2HG1 ILE 29 3HG1 ILE 29 -4.821 -17.088 16.592 171 1HG2 ILE 29 1HG2 ILE 29 -6.877 -18.783 13.791 172 2HG2 ILE 29 2HG2 ILE 29 -6.428 -17.133 14.287 173 3HG2 ILE 29 3HG2 ILE 29 -5.162 -18.314 13.873 174 1HD1 ILE 29 1HD1 ILE 29 -3.846 -19.536 17.851 175 2HD1 ILE 29 2HD1 ILE 29 -4.467 -18.052 18.612 176 3HD1 ILE 29 3HD1 ILE 29 -5.594 -19.339 18.121 177 H ASN 30 HN ASN 30 -8.989 -19.341 14.943 178 HA ASN 30 HA ASN 30 -9.688 -17.040 13.493 179 1HB ASN 30 2HB ASN 30 -10.878 -19.852 13.665 180 2HB ASN 30 3HB ASN 30 -11.526 -18.636 12.582 181 1HD2 ASN 30 1HD2 ASN 30 -10.405 -21.111 11.823 182 2HD2 ASN 30 2HD2 ASN 30 -8.996 -20.826 10.856 183 H GLU 31 HN GLU 31 -11.062 -18.938 16.219 184 HA GLU 31 HA GLU 31 -13.610 -18.038 16.253 185 1HB GLU 31 2HB GLU 31 -12.602 -19.757 17.781 186 2HB GLU 31 3HB GLU 31 -11.819 -18.476 18.684 187 1HG GLU 31 2HG GLU 31 -14.140 -17.455 19.067 188 2HG GLU 31 3HG GLU 31 -14.823 -18.904 18.357 189 H TYR 32 HN TYR 32 -10.666 -16.444 17.623 190 HA TYR 32 HA TYR 32 -12.191 -14.195 18.553 191 1HB TYR 32 2HB TYR 32 -10.123 -13.747 19.597 192 2HB TYR 32 3HB TYR 32 -9.818 -15.427 19.202 193 HD1 TYR 32 HD1 TYR 32 -7.815 -15.925 18.147 194 HD2 TYR 32 HD2 TYR 32 -9.542 -12.054 17.565 195 HE1 TYR 32 HE1 TYR 32 -5.800 -15.226 16.763 196 HE2 TYR 32 HE2 TYR 32 -7.521 -11.368 16.183 197 HH TYR 32 HH TYR 32 -4.752 -12.648 16.285 198 H LEU 33 HN LEU 33 -10.158 -15.050 15.726 199 HA LEU 33 HA LEU 33 -9.740 -12.513 14.727 200 1HB LEU 33 2HB LEU 33 -9.256 -15.145 13.962 201 2HB LEU 33 3HB LEU 33 -10.248 -14.503 12.669 202 HG LEU 33 HG LEU 33 -8.368 -12.493 13.103 203 1HD1 LEU 33 1HD1 LEU 33 -6.692 -14.945 12.848 204 2HD1 LEU 33 2HD1 LEU 33 -6.294 -13.338 13.502 205 3HD1 LEU 33 3HD1 LEU 33 -7.251 -14.482 14.474 206 1HD2 LEU 33 1HD2 LEU 33 -7.382 -13.386 10.939 207 2HD2 LEU 33 2HD2 LEU 33 -8.576 -14.701 11.052 208 3HD2 LEU 33 3HD2 LEU 33 -9.122 -13.011 10.929 209 H MET 34 HN MET 34 -12.556 -14.738 14.341 210 HA MET 34 HA MET 34 -13.881 -12.851 12.670 211 1HB MET 34 2HB MET 34 -15.691 -14.532 12.686 212 2HB MET 34 3HB MET 34 -14.160 -15.366 12.510 213 1HG MET 34 2HG MET 34 -14.156 -16.093 14.799 214 2HG MET 34 3HG MET 34 -15.379 -14.928 15.263 215 1HE MET 34 1HE MET 34 -14.330 -18.047 14.393 216 2HE MET 34 2HE MET 34 -15.766 -18.964 14.906 217 3HE MET 34 3HE MET 34 -15.406 -18.772 13.174 218 H GLY 35 HN GLY 35 -13.660 -13.567 16.114 219 1HA GLY 35 1HA GLY 35 -16.135 -12.293 16.839 220 2HA GLY 35 2HA GLY 35 -14.858 -12.846 17.904 221 H LYS 36 HN LYS 36 -12.837 -11.284 16.102 222 HA LYS 36 HA LYS 36 -13.235 -8.762 17.509 223 1HB LYS 36 2HB LYS 36 -10.857 -10.181 16.329 224 2HB LYS 36 3HB LYS 36 -10.795 -8.454 16.618 225 1HG LYS 36 2HG LYS 36 -11.795 -10.268 18.825 226 2HG LYS 36 3HG LYS 36 -10.072 -10.176 18.521 227 1HD LYS 36 2HD LYS 36 -10.250 -8.426 20.027 228 2HD LYS 36 3HD LYS 36 -10.550 -7.531 18.550 229 1HE LYS 36 2HE LYS 36 -13.036 -8.725 19.527 230 2HE LYS 36 3HE LYS 36 -12.283 -7.777 20.794 231 1HZ LYS 36 1HZ LYS 36 -13.609 -6.344 19.520 232 2HZ LYS 36 2HZ LYS 36 -12.068 -5.984 19.116 233 3HZ LYS 36 3HZ LYS 36 -12.995 -6.864 18.099 234 H PHE 37 HN PHE 37 -12.209 -9.919 14.215 235 HA PHE 37 HA PHE 37 -12.744 -7.371 13.078 236 1HB PHE 37 2HB PHE 37 -12.221 -10.217 12.049 237 2HB PHE 37 3HB PHE 37 -12.429 -8.872 10.944 238 HD1 PHE 37 HD1 PHE 37 -10.294 -10.166 13.675 239 HD2 PHE 37 HD2 PHE 37 -10.647 -7.390 10.485 240 HE1 PHE 37 HE1 PHE 37 -7.852 -9.621 13.879 241 HE2 PHE 37 HE2 PHE 37 -8.205 -6.845 10.689 242 HZ PHE 37 HZ PHE 37 -6.837 -7.967 12.384 243 HA PRO 38 HA PRO 38 -17.032 -8.210 12.584 244 1HB PRO 38 2HB PRO 38 -17.780 -5.675 11.888 245 2HB PRO 38 3HB PRO 38 -17.656 -6.215 13.550 246 1HG PRO 38 2HG PRO 38 -15.821 -4.468 12.027 247 2HG PRO 38 3HG PRO 38 -15.953 -4.674 13.762 248 1HD PRO 38 2HD PRO 38 -13.931 -5.777 12.054 249 2HD PRO 38 3HD PRO 38 -14.132 -6.076 13.769 250 H PHE 39 HN PHE 39 -15.091 -6.474 10.244 251 HA PHE 39 HA PHE 39 -16.848 -6.796 8.109 252 1HB PHE 39 2HB PHE 39 -13.948 -6.225 8.664 253 2HB PHE 39 3HB PHE 39 -14.255 -6.849 7.055 254 HD1 PHE 39 HD1 PHE 39 -15.584 -4.253 9.390 255 HD2 PHE 39 HD2 PHE 39 -14.722 -5.336 5.379 256 HE1 PHE 39 HE1 PHE 39 -16.250 -1.956 8.627 257 HE2 PHE 39 HE2 PHE 39 -15.389 -3.040 4.616 258 HZ PHE 39 HZ PHE 39 -16.145 -1.377 6.249 259 H PHE 40 HN PHE 40 -14.459 -8.988 9.600 260 HA PHE 40 HA PHE 40 -14.382 -10.796 7.422 261 1HB PHE 40 2HB PHE 40 -13.679 -10.756 10.396 262 2HB PHE 40 3HB PHE 40 -13.560 -12.268 9.518 263 HD1 PHE 40 HD1 PHE 40 -12.678 -8.786 8.500 264 HD2 PHE 40 HD2 PHE 40 -11.310 -12.731 9.259 265 HE1 PHE 40 HE1 PHE 40 -10.385 -8.145 7.705 266 HE2 PHE 40 HE2 PHE 40 -9.018 -12.089 8.464 267 HZ PHE 40 HZ PHE 40 -8.583 -9.804 7.697 268 H ARG 41 HN ARG 41 -16.330 -10.504 10.433 269 HA ARG 41 HA ARG 41 -17.644 -12.979 9.767 270 1HB ARG 41 2HB ARG 41 -18.745 -12.731 11.976 271 2HB ARG 41 3HB ARG 41 -17.010 -12.546 12.138 272 1HG ARG 41 2HG ARG 41 -17.147 -10.283 12.633 273 2HG ARG 41 3HG ARG 41 -18.542 -10.027 11.604 274 1HD ARG 41 2HD ARG 41 -19.310 -11.818 13.751 275 2HD ARG 41 3HD ARG 41 -18.496 -10.433 14.452 276 HE ARG 41 HE ARG 41 -20.507 -9.765 12.403 277 1HH1 ARG 41 2HH2 ARG 41 -19.863 -10.241 15.829 278 2HH1 ARG 41 1HH2 ARG 41 -21.235 -9.317 16.346 279 1HH2 ARG 41 2HH1 ARG 41 -22.316 -8.546 13.083 280 2HH2 ARG 41 1HH1 ARG 41 -22.639 -8.347 14.773 281 H GLY 42 HN GLY 42 -17.903 -10.432 8.131 282 1HA GLY 42 1HA GLY 42 -20.842 -10.248 8.238 283 2HA GLY 42 2HA GLY 42 -19.870 -8.790 8.213 284 H SER 43 HN SER 43 -17.787 -9.420 6.450 285 HA SER 43 HA SER 43 -19.130 -9.140 4.008 286 1HB SER 43 2HB SER 43 -16.224 -9.447 4.816 287 2HB SER 43 3HB SER 43 -16.671 -9.425 3.122 288 HG SER 43 HG SER 43 -17.981 -7.363 4.165 289 H TYR 44 HN TYR 44 -16.653 -11.625 5.002 290 HA TYR 44 HA TYR 44 -18.309 -13.771 4.108 291 1HB TYR 44 2HB TYR 44 -16.899 -14.353 2.175 292 2HB TYR 44 3HB TYR 44 -17.316 -12.661 1.989 293 HD1 TYR 44 HD1 TYR 44 -15.529 -11.064 3.387 294 HD2 TYR 44 HD2 TYR 44 -14.716 -14.878 1.628 295 HE1 TYR 44 HE1 TYR 44 -13.059 -10.478 3.240 296 HE2 TYR 44 HE2 TYR 44 -12.249 -14.280 1.487 297 HH TYR 44 HH TYR 44 -11.132 -11.146 1.849 298 H THR 45 HN THR 45 -17.939 -15.063 5.858 299 HA THR 45 HA THR 45 -15.338 -15.117 7.091 300 HB THR 45 HB THR 45 -17.475 -15.198 8.390 301 HG1 THR 45 HG1 THR 45 -16.522 -16.769 9.713 302 1HG2 THR 45 1HG2 THR 45 -17.952 -18.058 7.832 303 2HG2 THR 45 2HG2 THR 45 -19.131 -16.733 7.985 304 3HG2 THR 45 3HG2 THR 45 -18.322 -17.030 6.427 305 H GLY 46 HN GLY 46 -14.757 -15.746 4.563 306 1HA GLY 46 1HA GLY 46 -14.089 -18.596 4.791 307 2HA GLY 46 2HA GLY 46 -14.922 -18.041 3.353 308 H TRP 47 HN TRP 47 -11.973 -17.543 5.368 309 HA TRP 47 HA TRP 47 -10.536 -16.918 2.903 310 1HB TRP 47 2HB TRP 47 -9.274 -15.236 4.567 311 2HB TRP 47 3HB TRP 47 -10.552 -14.758 3.467 312 HD1 TRP 47 HD1 TRP 47 -12.343 -13.291 4.660 313 HE1 TRP 47 HE1 TRP 47 -13.373 -12.979 7.069 314 HE3 TRP 47 HE3 TRP 47 -9.632 -16.982 6.869 315 HZ2 TRP 47 HZ2 TRP 47 -12.948 -14.281 9.573 316 HZ3 TRP 47 HZ3 TRP 47 -10.000 -17.397 9.299 317 HH2 TRP 47 HH2 TRP 47 -11.591 -16.117 10.643 318 H ARG 48 HN ARG 48 -11.022 -19.182 5.006 319 HA ARG 48 HA ARG 48 -8.785 -19.426 6.567 320 1HB ARG 48 2HB ARG 48 -10.832 -20.849 6.762 321 2HB ARG 48 3HB ARG 48 -10.447 -21.628 5.240 322 1HG ARG 48 2HG ARG 48 -8.188 -22.298 6.314 323 2HG ARG 48 3HG ARG 48 -8.866 -21.771 7.842 324 1HD ARG 48 2HD ARG 48 -10.095 -23.902 6.025 325 2HD ARG 48 3HD ARG 48 -9.164 -24.232 7.473 326 HE ARG 48 HE ARG 48 -11.935 -23.319 7.359 327 1HH1 ARG 48 2HH2 ARG 48 -9.030 -23.383 9.343 328 2HH1 ARG 48 1HH2 ARG 48 -9.891 -23.198 10.835 329 1HH2 ARG 48 2HH1 ARG 48 -13.071 -23.074 9.326 330 2HH2 ARG 48 1HH1 ARG 48 -12.205 -23.020 10.825 331 H ASN 49 HN ASN 49 -9.229 -19.794 3.105 332 HA ASN 49 HA ASN 49 -7.048 -21.532 2.702 333 1HB ASN 49 2HB ASN 49 -8.616 -19.665 0.856 334 2HB ASN 49 3HB ASN 49 -7.312 -20.674 0.264 335 1HD2 ASN 49 1HD2 ASN 49 -8.378 -22.091 -0.954 336 2HD2 ASN 49 2HD2 ASN 49 -9.595 -23.194 -0.403 337 H SER 50 HN SER 50 -7.674 -17.975 2.222 338 HA SER 50 HA SER 50 -5.019 -17.445 1.471 339 1HB SER 50 2HB SER 50 -5.783 -15.008 1.945 340 2HB SER 50 3HB SER 50 -6.606 -15.891 0.675 341 HG SER 50 HG SER 50 -7.598 -15.849 3.387 342 H VAL 51 HN VAL 51 -6.831 -17.551 4.535 343 HA VAL 51 HA VAL 51 -4.978 -16.087 6.071 344 HB VAL 51 HB VAL 51 -7.254 -17.956 6.579 345 1HG1 VAL 51 1HG1 VAL 51 -6.846 -17.488 9.080 346 2HG1 VAL 51 2HG1 VAL 51 -5.855 -18.742 8.296 347 3HG1 VAL 51 3HG1 VAL 51 -5.169 -17.129 8.604 348 1HG2 VAL 51 1HG2 VAL 51 -6.617 -15.072 7.259 349 2HG2 VAL 51 2HG2 VAL 51 -7.862 -15.692 6.148 350 3HG2 VAL 51 3HG2 VAL 51 -8.032 -15.939 7.903 351 H ARG 52 HN ARG 52 -5.607 -19.669 5.911 352 HA ARG 52 HA ARG 52 -3.464 -20.396 7.400 353 1HB ARG 52 2HB ARG 52 -3.724 -22.620 6.406 354 2HB ARG 52 3HB ARG 52 -5.315 -21.907 6.583 355 1HG ARG 52 2HG ARG 52 -5.161 -21.130 4.160 356 2HG ARG 52 3HG ARG 52 -3.661 -22.025 4.019 357 1HD ARG 52 2HD ARG 52 -5.523 -23.846 5.178 358 2HD ARG 52 3HD ARG 52 -6.406 -23.019 3.910 359 HE ARG 52 HE ARG 52 -5.016 -24.020 2.294 360 1HH1 ARG 52 2HH2 ARG 52 -3.651 -24.494 5.503 361 2HH1 ARG 52 1HH2 ARG 52 -2.454 -25.625 4.966 362 1HH2 ARG 52 2HH1 ARG 52 -3.436 -25.511 1.585 363 2HH2 ARG 52 1HH1 ARG 52 -2.331 -26.207 2.723 364 H HIS 53 HN HIS 53 -3.669 -19.582 3.909 365 HA HIS 53 HA HIS 53 -1.199 -20.548 3.125 366 1HB HIS 53 2HB HIS 53 -3.251 -18.734 2.095 367 2HB HIS 53 3HB HIS 53 -1.639 -18.274 1.587 368 HD1 HIS 53 HD1 HIS 53 -2.954 -19.046 -0.788 369 HD2 HIS 53 HD2 HIS 53 -1.605 -22.038 1.824 370 HE1 HIS 53 HE1 HIS 53 -2.820 -21.190 -2.165 371 H ASN 54 HN ASN 54 -2.139 -17.234 4.279 372 HA ASN 54 HA ASN 54 0.519 -16.338 4.218 373 1HB ASN 54 2HB ASN 54 -1.843 -15.051 4.307 374 2HB ASN 54 3HB ASN 54 -1.567 -15.101 6.037 375 1HD2 ASN 54 1HD2 ASN 54 -0.065 -13.834 6.972 376 2HD2 ASN 54 2HD2 ASN 54 0.895 -12.651 6.147 377 H LEU 55 HN LEU 55 -1.489 -18.163 6.459 378 HA LEU 55 HA LEU 55 -0.259 -17.473 8.873 379 1HB LEU 55 2HB LEU 55 -2.399 -18.949 8.126 380 2HB LEU 55 3HB LEU 55 -1.272 -20.229 8.524 381 HG LEU 55 HG LEU 55 -1.011 -18.550 10.693 382 1HD1 LEU 55 1HD1 LEU 55 -2.746 -17.174 10.841 383 2HD1 LEU 55 2HD1 LEU 55 -3.518 -17.901 9.412 384 3HD1 LEU 55 3HD1 LEU 55 -3.797 -18.599 11.025 385 1HD2 LEU 55 1HD2 LEU 55 -1.131 -20.955 10.821 386 2HD2 LEU 55 2HD2 LEU 55 -2.361 -20.247 11.895 387 3HD2 LEU 55 3HD2 LEU 55 -2.841 -20.937 10.326 388 H SER 56 HN SER 56 0.307 -20.303 6.661 389 HA SER 56 HA SER 56 2.644 -20.979 8.129 390 1HB SER 56 2HB SER 56 1.911 -22.947 7.253 391 2HB SER 56 3HB SER 56 0.997 -22.149 5.989 392 HG SER 56 HG SER 56 2.753 -22.151 4.634 393 H LEU 57 HN LEU 57 1.798 -19.285 5.089 394 HA LEU 57 HA LEU 57 4.414 -19.216 4.045 395 1HB LEU 57 2HB LEU 57 2.352 -18.934 2.734 396 2HB LEU 57 3HB LEU 57 2.050 -17.405 3.536 397 HG LEU 57 HG LEU 57 4.689 -17.662 2.199 398 1HD1 LEU 57 1HD1 LEU 57 3.754 -18.587 0.355 399 2HD1 LEU 57 2HD1 LEU 57 2.116 -18.013 0.753 400 3HD1 LEU 57 3HD1 LEU 57 3.302 -16.895 0.037 401 1HD2 LEU 57 1HD2 LEU 57 2.814 -15.583 3.025 402 2HD2 LEU 57 2HD2 LEU 57 4.569 -15.504 2.739 403 3HD2 LEU 57 3HD2 LEU 57 3.437 -15.335 1.376 404 H ASN 58 HN ASN 58 3.083 -17.829 6.838 405 HA ASN 58 HA ASN 58 4.845 -15.532 6.653 406 1HB ASN 58 2HB ASN 58 2.617 -14.922 7.380 407 2HB ASN 58 3HB ASN 58 2.527 -16.270 8.496 408 1HD2 ASN 58 1HD2 ASN 58 2.672 -15.710 10.517 409 2HD2 ASN 58 2HD2 ASN 58 3.623 -14.432 11.196 410 H ASP 59 HN ASP 59 3.672 -17.530 9.456 411 HA ASP 59 HA ASP 59 6.050 -17.330 10.832 412 1HB ASP 59 2HB ASP 59 3.477 -18.519 11.185 413 2HB ASP 59 3HB ASP 59 4.635 -19.807 11.457 414 H CYS 60 HN CYS 60 4.578 -20.137 9.019 415 HA CYS 60 HA CYS 60 5.614 -21.587 7.656 416 1HB CYS 60 2HB CYS 60 7.595 -19.887 7.599 417 2HB CYS 60 3HB CYS 60 8.351 -20.964 8.756 418 HG CYS 60 HG CYS 60 8.673 -22.953 7.372 419 H PHE 61 HN PHE 61 4.264 -22.572 9.608 420 HA PHE 61 HA PHE 61 6.100 -24.252 11.169 421 1HB PHE 61 2HB PHE 61 3.780 -24.312 12.583 422 2HB PHE 61 3HB PHE 61 4.941 -23.020 12.816 423 HD1 PHE 61 HD1 PHE 61 2.354 -23.672 10.194 424 HD2 PHE 61 HD2 PHE 61 3.846 -21.026 13.158 425 HE1 PHE 61 HE1 PHE 61 0.604 -21.985 9.570 426 HE2 PHE 61 HE2 PHE 61 2.096 -19.340 12.533 427 HZ PHE 61 HZ PHE 61 0.495 -19.839 10.747 428 H VAL 62 HN VAL 62 4.194 -26.064 12.178 429 HA VAL 62 HA VAL 62 3.232 -27.307 9.693 430 HB VAL 62 HB VAL 62 4.263 -28.652 12.198 431 1HG1 VAL 62 1HG1 VAL 62 3.079 -29.648 9.626 432 2HG1 VAL 62 2HG1 VAL 62 4.343 -30.609 10.430 433 3HG1 VAL 62 3HG1 VAL 62 2.836 -30.222 11.293 434 1HG2 VAL 62 1HG2 VAL 62 5.594 -28.085 9.538 435 2HG2 VAL 62 2HG2 VAL 62 6.152 -27.646 11.170 436 3HG2 VAL 62 3HG2 VAL 62 6.162 -29.350 10.654 437 H LYS 63 HN LYS 63 1.345 -28.840 10.076 438 HA LYS 63 HA LYS 63 -0.347 -27.748 12.216 439 1HB LYS 63 2HB LYS 63 -1.498 -26.920 10.451 440 2HB LYS 63 3HB LYS 63 -0.821 -28.068 9.314 441 1HG LYS 63 2HG LYS 63 -2.279 -29.871 10.362 442 2HG LYS 63 3HG LYS 63 -3.027 -28.631 11.349 443 1HD LYS 63 2HD LYS 63 -3.038 -27.717 8.606 444 2HD LYS 63 3HD LYS 63 -3.649 -29.359 8.632 445 1HE LYS 63 2HE LYS 63 -5.047 -28.438 10.741 446 2HE LYS 63 3HE LYS 63 -4.774 -26.893 9.960 447 1HZ LYS 63 1HZ LYS 63 -6.587 -27.521 8.841 448 2HZ LYS 63 2HZ LYS 63 -5.533 -28.339 7.900 449 3HZ LYS 63 3HZ LYS 63 -6.358 -29.122 9.072 450 H VAL 64 HN VAL 64 -1.936 -29.268 13.124 451 HA VAL 64 HA VAL 64 -1.053 -32.051 12.782 452 HB VAL 64 HB VAL 64 -1.641 -30.435 15.243 453 1HG1 VAL 64 1HG1 VAL 64 -2.825 -32.112 16.133 454 2HG1 VAL 64 2HG1 VAL 64 -2.471 -33.186 14.758 455 3HG1 VAL 64 3HG1 VAL 64 -1.324 -33.069 16.114 456 1HG2 VAL 64 1HG2 VAL 64 0.418 -32.104 15.843 457 2HG2 VAL 64 2HG2 VAL 64 0.649 -31.919 14.088 458 3HG2 VAL 64 3HG2 VAL 64 0.619 -30.482 15.138 459 H LEU 65 HN LEU 65 -3.725 -29.760 13.572 460 HA LEU 65 HA LEU 65 -5.913 -29.914 13.330 461 1HB LEU 65 2HB LEU 65 -6.659 -30.588 11.321 462 2HB LEU 65 3HB LEU 65 -4.941 -30.610 10.979 463 HG LEU 65 HG LEU 65 -5.517 -33.178 11.971 464 1HD1 LEU 65 1HD1 LEU 65 -7.314 -33.953 10.450 465 2HD1 LEU 65 2HD1 LEU 65 -7.889 -32.825 11.701 466 3HD1 LEU 65 3HD1 LEU 65 -7.654 -32.256 10.031 467 1HD2 LEU 65 1HD2 LEU 65 -4.733 -31.942 9.383 468 2HD2 LEU 65 2HD2 LEU 65 -3.921 -33.188 10.361 469 3HD2 LEU 65 3HD2 LEU 65 -5.313 -33.624 9.340 470 H ARG 66 HN ARG 66 -7.865 -31.679 13.306 471 HA ARG 66 HA ARG 66 -7.969 -32.755 15.706 472 1HB ARG 66 2HB ARG 66 -9.720 -32.716 13.736 473 2HB ARG 66 3HB ARG 66 -9.119 -34.318 13.360 474 1HG ARG 66 2HG ARG 66 -9.510 -34.717 15.987 475 2HG ARG 66 3HG ARG 66 -10.629 -33.381 15.801 476 1HD ARG 66 2HD ARG 66 -10.952 -35.316 13.618 477 2HD ARG 66 3HD ARG 66 -11.114 -36.104 15.175 478 HE ARG 66 HE ARG 66 -12.599 -33.582 14.992 479 1HH1 ARG 66 2HH2 ARG 66 -12.713 -37.049 14.400 480 2HH1 ARG 66 1HH2 ARG 66 -14.443 -37.130 14.450 481 1HH2 ARG 66 2HH1 ARG 66 -14.881 -33.688 15.059 482 2HH2 ARG 66 1HH1 ARG 66 -15.684 -35.205 14.827 483 H ASP 67 HN ASP 67 -6.631 -34.168 16.787 484 HA ASP 67 HA ASP 67 -6.056 -36.675 15.587 485 1HB ASP 67 2HB ASP 67 -4.151 -34.585 15.270 486 2HB ASP 67 3HB ASP 67 -3.516 -35.588 16.559 487 HA PRO 68 HA PRO 68 -5.857 -37.583 19.872 488 1HB PRO 68 2HB PRO 68 -4.403 -39.896 19.948 489 2HB PRO 68 3HB PRO 68 -6.100 -39.845 19.514 490 1HG PRO 68 2HG PRO 68 -3.748 -40.203 17.759 491 2HG PRO 68 3HG PRO 68 -5.430 -40.566 17.428 492 1HD PRO 68 2HD PRO 68 -3.939 -38.312 16.466 493 2HD PRO 68 3HD PRO 68 -5.649 -38.616 16.231 494 H SER 69 HN SER 69 -4.702 -35.554 20.273 495 HA SER 69 HA SER 69 -2.244 -36.282 21.571 496 1HB SER 69 2HB SER 69 -1.173 -34.140 20.510 497 2HB SER 69 3HB SER 69 -1.188 -35.627 19.584 498 HG SER 69 HG SER 69 -3.088 -34.862 18.458 499 H ARG 70 HN ARG 70 -4.583 -33.684 20.627 500 HA ARG 70 HA ARG 70 -4.375 -32.747 23.373 501 1HB ARG 70 2HB ARG 70 -4.630 -31.077 20.824 502 2HB ARG 70 3HB ARG 70 -4.884 -30.415 22.426 503 1HG ARG 70 2HG ARG 70 -2.640 -29.969 22.360 504 2HG ARG 70 3HG ARG 70 -2.461 -31.657 22.798 505 1HD ARG 70 2HD ARG 70 -2.683 -31.962 20.106 506 2HD ARG 70 3HD ARG 70 -2.044 -30.331 20.131 507 HE ARG 70 HE ARG 70 -0.573 -32.154 21.886 508 1HH1 ARG 70 2HH2 ARG 70 -0.871 -30.954 18.591 509 2HH1 ARG 70 1HH2 ARG 70 0.761 -31.348 18.165 510 1HH2 ARG 70 2HH1 ARG 70 1.580 -32.673 21.324 511 2HH2 ARG 70 1HH1 ARG 70 2.164 -32.333 19.729 512 HA PRO 71 HA PRO 71 -8.682 -33.757 22.350 513 1HB PRO 71 2HB PRO 71 -9.229 -35.261 24.565 514 2HB PRO 71 3HB PRO 71 -8.684 -35.951 23.050 515 1HG PRO 71 2HG PRO 71 -7.166 -35.549 25.554 516 2HG PRO 71 3HG PRO 71 -6.792 -36.597 24.200 517 1HD PRO 71 2HD PRO 71 -5.571 -34.073 24.806 518 2HD PRO 71 3HD PRO 71 -5.280 -35.065 23.391 519 H TRP 72 HN TRP 72 -7.944 -31.273 23.062 520 HA TRP 72 HA TRP 72 -9.572 -30.765 25.448 521 1HB TRP 72 2HB TRP 72 -7.037 -29.855 24.692 522 2HB TRP 72 3HB TRP 72 -8.102 -28.491 24.416 523 HD1 TRP 72 HD1 TRP 72 -6.250 -30.161 27.176 524 HE1 TRP 72 HE1 TRP 72 -6.875 -29.228 29.564 525 HE3 TRP 72 HE3 TRP 72 -10.398 -27.630 25.679 526 HZ2 TRP 72 HZ2 TRP 72 -8.988 -27.574 30.537 527 HZ3 TRP 72 HZ3 TRP 72 -11.685 -26.382 27.411 528 HH2 TRP 72 HH2 TRP 72 -11.041 -26.328 29.768 529 H GLY 73 HN GLY 73 -9.226 -30.351 21.949 530 1HA GLY 73 1HA GLY 73 -11.857 -29.028 21.904 531 2HA GLY 73 2HA GLY 73 -10.513 -28.325 21.026 532 H LYS 74 HN LYS 74 -9.187 -30.208 19.721 533 HA LYS 74 HA LYS 74 -9.197 -31.749 18.126 534 1HB LYS 74 2HB LYS 74 -11.229 -32.680 19.834 535 2HB LYS 74 3HB LYS 74 -11.921 -32.745 18.225 536 1HG LYS 74 2HG LYS 74 -10.798 -34.722 18.021 537 2HG LYS 74 3HG LYS 74 -9.383 -33.727 17.740 538 1HD LYS 74 2HD LYS 74 -8.455 -34.265 19.759 539 2HD LYS 74 3HD LYS 74 -9.968 -34.050 20.617 540 1HE LYS 74 2HE LYS 74 -9.287 -36.501 18.922 541 2HE LYS 74 3HE LYS 74 -9.108 -36.427 20.664 542 1HZ LYS 74 1HZ LYS 74 -11.187 -37.347 20.271 543 2HZ LYS 74 2HZ LYS 74 -11.524 -35.802 20.681 544 3HZ LYS 74 3HZ LYS 74 -11.587 -36.264 19.116 545 H ASP 75 HN ASP 75 -9.736 -28.999 17.669 546 HA ASP 75 HA ASP 75 -11.722 -29.158 15.547 547 1HB ASP 75 2HB ASP 75 -10.490 -26.726 16.928 548 2HB ASP 75 3HB ASP 75 -11.687 -26.645 15.651 549 H ASN 76 HN ASN 76 -8.723 -27.224 16.329 550 HA ASN 76 HA ASN 76 -7.465 -28.210 13.961 551 1HB ASN 76 2HB ASN 76 -7.891 -25.195 14.267 552 2HB ASN 76 3HB ASN 76 -7.126 -26.010 12.917 553 1HD2 ASN 76 1HD2 ASN 76 -8.372 -27.328 11.527 554 2HD2 ASN 76 2HD2 ASN 76 -10.076 -27.091 11.330 555 H TYR 77 HN TYR 77 -5.521 -28.774 14.977 556 HA TYR 77 HA TYR 77 -4.342 -26.761 16.773 557 1HB TYR 77 2HB TYR 77 -5.178 -29.401 17.249 558 2HB TYR 77 3HB TYR 77 -3.497 -29.649 16.821 559 HD1 TYR 77 HD1 TYR 77 -5.784 -28.664 19.412 560 HD2 TYR 77 HD2 TYR 77 -1.707 -28.378 18.149 561 HE1 TYR 77 HE1 TYR 77 -5.086 -28.059 21.781 562 HE2 TYR 77 HE2 TYR 77 -1.022 -27.775 20.522 563 HH TYR 77 HH TYR 77 -2.827 -26.601 22.674 564 H TRP 78 HN TRP 78 -2.468 -25.869 16.074 565 HA TRP 78 HA TRP 78 -0.977 -27.376 14.034 566 1HB TRP 78 2HB TRP 78 -1.162 -24.381 14.410 567 2HB TRP 78 3HB TRP 78 -0.193 -25.210 13.208 568 HD1 TRP 78 HD1 TRP 78 -3.668 -26.671 13.720 569 HE1 TRP 78 HE1 TRP 78 -5.269 -26.146 11.689 570 HE3 TRP 78 HE3 TRP 78 -0.571 -23.329 11.462 571 HZ2 TRP 78 HZ2 TRP 78 -5.066 -24.431 9.418 572 HZ3 TRP 78 HZ3 TRP 78 -1.349 -22.274 9.341 573 HH2 TRP 78 HH2 TRP 78 -3.511 -22.777 8.319 574 H MET 79 HN MET 79 1.409 -27.154 14.182 575 HA MET 79 HA MET 79 2.233 -26.441 16.889 576 1HB MET 79 2HB MET 79 2.209 -28.908 16.627 577 2HB MET 79 3HB MET 79 3.110 -28.795 15.128 578 1HG MET 79 2HG MET 79 4.833 -27.456 16.775 579 2HG MET 79 3HG MET 79 4.079 -28.511 17.954 580 1HE MET 79 1HE MET 79 7.226 -29.053 15.121 581 2HE MET 79 2HE MET 79 6.744 -27.873 16.364 582 3HE MET 79 3HE MET 79 7.576 -29.374 16.837 583 H LEU 80 HN LEU 80 3.599 -24.714 16.826 584 HA LEU 80 HA LEU 80 5.409 -24.555 14.517 585 1HB LEU 80 2HB LEU 80 5.251 -22.146 14.634 586 2HB LEU 80 3HB LEU 80 3.686 -22.876 14.339 587 HG LEU 80 HG LEU 80 4.422 -22.205 17.162 588 1HD1 LEU 80 1HD1 LEU 80 3.652 -19.901 16.899 589 2HD1 LEU 80 2HD1 LEU 80 5.105 -20.212 15.919 590 3HD1 LEU 80 3HD1 LEU 80 3.505 -20.140 15.141 591 1HD2 LEU 80 1HD2 LEU 80 1.923 -22.518 15.538 592 2HD2 LEU 80 2HD2 LEU 80 2.360 -23.220 17.114 593 3HD2 LEU 80 3HD2 LEU 80 1.898 -21.505 17.002 594 H ASN 81 HN ASN 81 7.535 -23.624 14.959 595 HA ASN 81 HA ASN 81 8.255 -23.112 17.634 596 1HB ASN 81 2HB ASN 81 9.737 -25.007 18.025 597 2HB ASN 81 3HB ASN 81 8.170 -25.664 17.594 598 1HD2 ASN 81 1HD2 ASN 81 7.811 -26.088 15.246 599 2HD2 ASN 81 2HD2 ASN 81 9.107 -26.783 14.330 600 HA PRO 82 HA PRO 82 11.488 -21.267 15.316 601 1HB PRO 82 2HB PRO 82 13.427 -20.886 17.203 602 2HB PRO 82 3HB PRO 82 12.035 -19.835 17.034 603 1HG PRO 82 2HG PRO 82 12.564 -21.894 19.087 604 2HG PRO 82 3HG PRO 82 11.419 -20.568 19.132 605 1HD PRO 82 2HD PRO 82 10.824 -23.332 18.649 606 2HD PRO 82 3HD PRO 82 9.700 -21.990 18.579 Start of MODEL 20 1 H TYR 8 HN TYR 8 6.300 -13.216 -0.435 2 HA TYR 8 HA TYR 8 8.110 -13.610 1.683 3 1HB TYR 8 2HB TYR 8 5.199 -14.127 0.962 4 2HB TYR 8 3HB TYR 8 5.808 -14.919 2.401 5 HD1 TYR 8 HD1 TYR 8 6.338 -11.483 0.971 6 HD2 TYR 8 HD2 TYR 8 5.020 -13.835 4.293 7 HE1 TYR 8 HE1 TYR 8 5.926 -9.365 2.316 8 HE2 TYR 8 HE2 TYR 8 4.613 -11.709 5.627 9 HH TYR 8 HH TYR 8 5.704 -9.255 5.477 10 H ILE 9 HN ILE 9 6.376 -15.876 -0.542 11 HA ILE 9 HA ILE 9 7.231 -18.210 0.738 12 HB ILE 9 HB ILE 9 6.625 -19.293 -1.404 13 1HG1 ILE 9 2HG1 ILE 9 5.367 -17.441 -2.932 14 2HG1 ILE 9 3HG1 ILE 9 6.714 -16.481 -2.353 15 1HG2 ILE 9 1HG2 ILE 9 4.330 -19.022 -1.111 16 2HG2 ILE 9 2HG2 ILE 9 5.010 -18.567 0.471 17 3HG2 ILE 9 3HG2 ILE 9 4.486 -17.305 -0.670 18 1HD1 ILE 9 1HD1 ILE 9 6.831 -18.194 -4.511 19 2HD1 ILE 9 2HD1 ILE 9 8.248 -17.661 -3.574 20 3HD1 ILE 9 3HD1 ILE 9 7.475 -19.223 -3.209 21 H ALA 10 HN ALA 10 8.612 -16.294 -2.002 22 HA ALA 10 HA ALA 10 10.743 -18.034 -2.497 23 1HB ALA 10 1HB ALA 10 10.838 -15.034 -2.888 24 2HB ALA 10 2HB ALA 10 11.531 -16.317 -3.908 25 3HB ALA 10 3HB ALA 10 9.770 -16.059 -3.877 26 H LEU 11 HN LEU 11 10.321 -15.247 -0.255 27 HA LEU 11 HA LEU 11 12.975 -15.053 0.546 28 1HB LEU 11 2HB LEU 11 11.664 -13.263 1.115 29 2HB LEU 11 3HB LEU 11 10.327 -14.257 1.658 30 HG LEU 11 HG LEU 11 12.918 -14.193 3.196 31 1HD1 LEU 11 1HD1 LEU 11 10.705 -12.144 3.229 32 2HD1 LEU 11 2HD1 LEU 11 11.739 -12.439 4.647 33 3HD1 LEU 11 3HD1 LEU 11 12.464 -11.897 3.114 34 1HD2 LEU 11 1HD2 LEU 11 10.651 -14.370 4.869 35 2HD2 LEU 11 2HD2 LEU 11 10.360 -15.470 3.501 36 3HD2 LEU 11 3HD2 LEU 11 11.836 -15.640 4.481 37 H ILE 12 HN ILE 12 10.225 -16.972 1.922 38 HA ILE 12 HA ILE 12 11.733 -18.106 3.984 39 HB ILE 12 HB ILE 12 9.091 -18.347 2.829 40 1HG1 ILE 12 2HG1 ILE 12 8.845 -19.187 5.374 41 2HG1 ILE 12 3HG1 ILE 12 10.413 -18.414 5.498 42 1HG2 ILE 12 1HG2 ILE 12 10.501 -20.885 3.650 43 2HG2 ILE 12 2HG2 ILE 12 8.735 -20.696 3.771 44 3HG2 ILE 12 3HG2 ILE 12 9.539 -20.560 2.189 45 1HD1 ILE 12 1HD1 ILE 12 9.365 -16.413 5.627 46 2HD1 ILE 12 2HD1 ILE 12 8.801 -16.641 3.954 47 3HD1 ILE 12 3HD1 ILE 12 7.791 -17.184 5.316 48 H THR 13 HN THR 13 11.156 -19.064 0.567 49 HA THR 13 HA THR 13 12.232 -21.605 0.651 50 HB THR 13 HB THR 13 12.260 -19.439 -1.515 51 HG1 THR 13 HG1 THR 13 10.296 -20.609 -2.045 52 1HG2 THR 13 1HG2 THR 13 13.448 -20.953 -2.764 53 2HG2 THR 13 2HG2 THR 13 13.325 -22.192 -1.491 54 3HG2 THR 13 3HG2 THR 13 12.009 -21.996 -2.673 55 H MET 14 HN MET 14 13.937 -18.450 0.187 56 HA MET 14 HA MET 14 16.438 -19.783 0.047 57 1HB MET 14 2HB MET 14 17.325 -17.437 0.008 58 2HB MET 14 3HB MET 14 15.993 -17.620 -1.116 59 1HG MET 14 2HG MET 14 14.455 -16.483 0.338 60 2HG MET 14 3HG MET 14 15.504 -16.660 1.730 61 1HE MET 14 1HE MET 14 14.800 -13.413 1.417 62 2HE MET 14 2HE MET 14 15.482 -14.636 2.516 63 3HE MET 14 3HE MET 14 16.482 -13.264 1.981 64 H ALA 15 HN ALA 15 14.340 -18.664 2.593 65 HA ALA 15 HA ALA 15 16.390 -18.157 4.509 66 1HB ALA 15 1HB ALA 15 13.611 -18.882 5.339 67 2HB ALA 15 2HB ALA 15 14.643 -17.528 5.858 68 3HB ALA 15 3HB ALA 15 13.795 -17.452 4.295 69 H ILE 16 HN ILE 16 14.033 -20.858 3.915 70 HA ILE 16 HA ILE 16 15.163 -22.479 5.939 71 HB ILE 16 HB ILE 16 13.449 -23.298 3.594 72 1HG1 ILE 16 2HG1 ILE 16 12.387 -21.421 4.699 73 2HG1 ILE 16 3HG1 ILE 16 11.517 -22.900 5.056 74 1HG2 ILE 16 1HG2 ILE 16 13.430 -25.329 4.481 75 2HG2 ILE 16 2HG2 ILE 16 14.663 -24.798 5.649 76 3HG2 ILE 16 3HG2 ILE 16 12.936 -24.681 6.064 77 1HD1 ILE 16 1HD1 ILE 16 11.874 -21.419 7.070 78 2HD1 ILE 16 2HD1 ILE 16 12.541 -23.057 7.268 79 3HD1 ILE 16 3HD1 ILE 16 13.625 -21.693 6.904 80 H ARG 17 HN ARG 17 15.736 -22.005 2.444 81 HA ARG 17 HA ARG 17 17.062 -24.230 1.805 82 1HB ARG 17 2HB ARG 17 17.237 -21.362 0.994 83 2HB ARG 17 3HB ARG 17 18.649 -22.314 0.580 84 1HG ARG 17 2HG ARG 17 16.207 -23.803 -0.035 85 2HG ARG 17 3HG ARG 17 16.168 -22.229 -0.805 86 1HD ARG 17 2HD ARG 17 18.676 -23.934 -0.973 87 2HD ARG 17 3HD ARG 17 17.330 -24.250 -2.050 88 HE ARG 17 HE ARG 17 17.909 -21.435 -2.074 89 1HH1 ARG 17 2HH2 ARG 17 19.228 -24.500 -3.192 90 2HH1 ARG 17 1HH2 ARG 17 20.067 -23.795 -4.533 91 1HH2 ARG 17 2HH1 ARG 17 19.016 -20.505 -3.843 92 2HH2 ARG 17 1HH1 ARG 17 19.946 -21.507 -4.906 93 H ASP 18 HN ASP 18 17.992 -21.812 4.160 94 HA ASP 18 HA ASP 18 20.693 -21.915 4.119 95 1HB ASP 18 2HB ASP 18 19.068 -20.609 5.667 96 2HB ASP 18 3HB ASP 18 19.052 -22.036 6.684 97 H SER 19 HN SER 19 18.288 -24.235 5.466 98 HA SER 19 HA SER 19 20.178 -25.806 6.815 99 1HB SER 19 2HB SER 19 18.171 -27.544 6.547 100 2HB SER 19 3HB SER 19 18.052 -26.182 7.643 101 HG SER 19 HG SER 19 16.791 -26.595 5.117 102 H ALA 20 HN ALA 20 18.212 -26.499 3.821 103 HA ALA 20 HA ALA 20 18.987 -27.309 1.845 104 1HB ALA 20 1HB ALA 20 21.217 -27.819 1.454 105 2HB ALA 20 2HB ALA 20 21.372 -26.719 2.845 106 3HB ALA 20 3HB ALA 20 21.465 -28.480 3.088 107 H GLY 21 HN GLY 21 17.227 -28.459 3.784 108 1HA GLY 21 1HA GLY 21 16.121 -30.403 4.058 109 2HA GLY 21 2HA GLY 21 17.161 -31.139 2.855 110 H GLY 22 HN GLY 22 17.619 -29.729 6.185 111 1HA GLY 22 1HA GLY 22 18.503 -32.300 7.187 112 2HA GLY 22 2HA GLY 22 19.763 -31.090 7.054 113 H ARG 23 HN ARG 23 19.290 -28.879 8.082 114 HA ARG 23 HA ARG 23 17.253 -28.854 10.047 115 1HB ARG 23 2HB ARG 23 18.745 -28.671 12.021 116 2HB ARG 23 3HB ARG 23 18.967 -30.220 11.232 117 1HG ARG 23 2HG ARG 23 20.798 -28.509 9.925 118 2HG ARG 23 3HG ARG 23 20.893 -28.032 11.608 119 1HD ARG 23 2HD ARG 23 21.836 -30.031 12.264 120 2HD ARG 23 3HD ARG 23 20.835 -30.980 11.185 121 HE ARG 23 HE ARG 23 22.541 -30.898 9.594 122 1HH1 ARG 23 2HH2 ARG 23 22.994 -28.256 11.874 123 2HH1 ARG 23 1HH2 ARG 23 24.509 -27.761 11.196 124 1HH2 ARG 23 2HH1 ARG 23 24.540 -30.245 8.699 125 2HH2 ARG 23 1HH1 ARG 23 25.394 -28.900 9.377 126 H LEU 24 HN LEU 24 16.682 -26.703 10.428 127 HA LEU 24 HA LEU 24 18.650 -24.690 9.585 128 1HB LEU 24 2HB LEU 24 17.129 -23.587 8.358 129 2HB LEU 24 3HB LEU 24 16.471 -25.202 8.184 130 HG LEU 24 HG LEU 24 15.405 -23.770 10.516 131 1HD1 LEU 24 1HD1 LEU 24 15.272 -21.761 9.496 132 2HD1 LEU 24 2HD1 LEU 24 15.425 -22.452 7.863 133 3HD1 LEU 24 3HD1 LEU 24 13.859 -22.502 8.708 134 1HD2 LEU 24 1HD2 LEU 24 14.565 -25.930 9.578 135 2HD2 LEU 24 2HD2 LEU 24 13.321 -24.670 9.764 136 3HD2 LEU 24 3HD2 LEU 24 13.991 -25.029 8.154 137 H THR 25 HN THR 25 18.058 -22.448 10.605 138 HA THR 25 HA THR 25 17.122 -22.890 13.360 139 HB THR 25 HB THR 25 19.012 -21.491 14.130 140 HG1 THR 25 HG1 THR 25 18.992 -20.294 11.999 141 1HG2 THR 25 1HG2 THR 25 20.724 -23.058 13.889 142 2HG2 THR 25 2HG2 THR 25 19.370 -24.062 13.317 143 3HG2 THR 25 3HG2 THR 25 20.435 -23.250 12.143 144 H LEU 26 HN LEU 26 15.077 -22.042 13.011 145 HA LEU 26 HA LEU 26 14.397 -19.907 11.493 146 1HB LEU 26 2HB LEU 26 13.332 -21.129 13.988 147 2HB LEU 26 3HB LEU 26 12.691 -19.568 13.516 148 HG LEU 26 HG LEU 26 11.299 -21.414 12.715 149 1HD1 LEU 26 1HD1 LEU 26 11.978 -20.702 10.075 150 2HD1 LEU 26 2HD1 LEU 26 10.742 -19.970 11.127 151 3HD1 LEU 26 3HD1 LEU 26 12.391 -19.301 11.093 152 1HD2 LEU 26 1HD2 LEU 26 13.698 -22.251 11.063 153 2HD2 LEU 26 2HD2 LEU 26 13.053 -23.114 12.480 154 3HD2 LEU 26 3HD2 LEU 26 12.069 -22.965 11.004 155 H ALA 27 HN ALA 27 16.254 -19.942 14.495 156 HA ALA 27 HA ALA 27 15.856 -17.244 15.189 157 1HB ALA 27 1HB ALA 27 17.793 -17.612 16.644 158 2HB ALA 27 2HB ALA 27 16.707 -19.021 16.708 159 3HB ALA 27 3HB ALA 27 18.207 -19.096 15.753 160 H GLU 28 HN GLU 28 18.431 -18.961 13.297 161 HA GLU 28 HA GLU 28 19.754 -16.536 12.724 162 1HB GLU 28 2HB GLU 28 20.493 -19.157 12.680 163 2HB GLU 28 3HB GLU 28 20.185 -18.924 10.970 164 1HG GLU 28 2HG GLU 28 22.310 -18.093 10.889 165 2HG GLU 28 3HG GLU 28 21.613 -16.631 11.560 166 H ILE 29 HN ILE 29 17.297 -18.578 11.109 167 HA ILE 29 HA ILE 29 17.453 -17.418 8.580 168 HB ILE 29 HB ILE 29 15.577 -19.102 10.101 169 1HG1 ILE 29 2HG1 ILE 29 15.592 -20.299 7.853 170 2HG1 ILE 29 3HG1 ILE 29 16.783 -19.127 7.326 171 1HG2 ILE 29 1HG2 ILE 29 13.940 -18.806 8.059 172 2HG2 ILE 29 2HG2 ILE 29 13.821 -17.761 9.494 173 3HG2 ILE 29 3HG2 ILE 29 14.631 -17.166 8.025 174 1HD1 ILE 29 1HD1 ILE 29 17.629 -20.060 9.903 175 2HD1 ILE 29 2HD1 ILE 29 17.183 -21.487 8.937 176 3HD1 ILE 29 3HD1 ILE 29 18.404 -20.345 8.326 177 H ASN 30 HN ASN 30 15.283 -16.653 11.391 178 HA ASN 30 HA ASN 30 14.123 -14.477 10.096 179 1HB ASN 30 2HB ASN 30 12.968 -15.466 11.983 180 2HB ASN 30 3HB ASN 30 14.369 -15.303 13.024 181 1HD2 ASN 30 1HD2 ASN 30 13.078 -14.220 14.537 182 2HD2 ASN 30 2HD2 ASN 30 12.646 -12.551 14.363 183 H GLU 31 HN GLU 31 17.088 -14.998 11.983 184 HA GLU 31 HA GLU 31 17.550 -12.427 12.845 185 1HB GLU 31 2HB GLU 31 18.866 -14.264 13.699 186 2HB GLU 31 3HB GLU 31 19.438 -14.694 12.100 187 1HG GLU 31 2HG GLU 31 20.842 -12.760 11.948 188 2HG GLU 31 3HG GLU 31 20.008 -11.940 13.252 189 H TYR 32 HN TYR 32 18.573 -14.088 9.785 190 HA TYR 32 HA TYR 32 19.768 -11.689 8.768 191 1HB TYR 32 2HB TYR 32 20.524 -13.238 7.152 192 2HB TYR 32 3HB TYR 32 20.061 -14.389 8.390 193 HD1 TYR 32 HD1 TYR 32 18.517 -12.529 5.515 194 HD2 TYR 32 HD2 TYR 32 18.683 -16.155 7.779 195 HE1 TYR 32 HE1 TYR 32 16.886 -13.621 3.899 196 HE2 TYR 32 HE2 TYR 32 17.051 -17.235 6.156 197 HH TYR 32 HH TYR 32 15.101 -15.939 4.435 198 H LEU 33 HN LEU 33 16.584 -13.207 8.738 199 HA LEU 33 HA LEU 33 15.609 -12.134 6.362 200 1HB LEU 33 2HB LEU 33 14.689 -13.763 8.383 201 2HB LEU 33 3HB LEU 33 13.687 -12.337 8.562 202 HG LEU 33 HG LEU 33 12.935 -12.517 6.249 203 1HD1 LEU 33 1HD1 LEU 33 13.545 -14.699 5.019 204 2HD1 LEU 33 2HD1 LEU 33 14.724 -13.365 5.023 205 3HD1 LEU 33 3HD1 LEU 33 14.947 -14.753 6.115 206 1HD2 LEU 33 1HD2 LEU 33 11.517 -13.632 7.742 207 2HD2 LEU 33 2HD2 LEU 33 11.803 -14.807 6.436 208 3HD2 LEU 33 3HD2 LEU 33 12.667 -14.968 7.985 209 H MET 34 HN MET 34 15.460 -10.859 9.758 210 HA MET 34 HA MET 34 14.354 -8.416 8.799 211 1HB MET 34 2HB MET 34 14.390 -9.804 11.226 212 2HB MET 34 3HB MET 34 15.532 -8.513 11.545 213 1HG MET 34 2HG MET 34 13.385 -7.222 10.234 214 2HG MET 34 3HG MET 34 12.604 -8.382 11.289 215 1HE MET 34 1HE MET 34 13.212 -8.872 13.459 216 2HE MET 34 2HE MET 34 14.593 -8.160 14.327 217 3HE MET 34 3HE MET 34 12.950 -7.530 14.598 218 H GLY 35 HN GLY 35 17.556 -9.717 9.584 219 1HA GLY 35 1HA GLY 35 18.835 -7.145 9.793 220 2HA GLY 35 2HA GLY 35 19.594 -8.724 9.757 221 H LYS 36 HN LYS 36 17.483 -8.852 7.197 222 HA LYS 36 HA LYS 36 19.521 -7.797 5.362 223 1HB LYS 36 2HB LYS 36 19.319 -10.262 5.358 224 2HB LYS 36 3HB LYS 36 17.621 -10.125 4.952 225 1HG LYS 36 2HG LYS 36 18.592 -8.574 2.969 226 2HG LYS 36 3HG LYS 36 20.036 -9.526 3.251 227 1HD LYS 36 2HD LYS 36 18.210 -11.543 3.213 228 2HD LYS 36 3HD LYS 36 17.361 -10.395 2.197 229 1HE LYS 36 2HE LYS 36 18.708 -11.721 0.708 230 2HE LYS 36 3HE LYS 36 19.507 -10.165 0.817 231 1HZ LYS 36 1HZ LYS 36 20.526 -11.657 2.862 232 2HZ LYS 36 2HZ LYS 36 20.462 -12.687 1.597 233 3HZ LYS 36 3HZ LYS 36 21.277 -11.278 1.462 234 H PHE 37 HN PHE 37 15.971 -8.427 5.776 235 HA PHE 37 HA PHE 37 15.397 -6.483 3.728 236 1HB PHE 37 2HB PHE 37 13.783 -8.233 5.672 237 2HB PHE 37 3HB PHE 37 13.000 -7.156 4.533 238 HD1 PHE 37 HD1 PHE 37 12.454 -7.939 2.418 239 HD2 PHE 37 HD2 PHE 37 15.447 -9.966 4.642 240 HE1 PHE 37 HE1 PHE 37 12.545 -9.731 0.663 241 HE2 PHE 37 HE2 PHE 37 15.537 -11.758 2.886 242 HZ PHE 37 HZ PHE 37 14.085 -11.619 0.918 243 HA PRO 38 HA PRO 38 15.192 -3.336 6.791 244 1HB PRO 38 2HB PRO 38 15.072 -1.217 5.070 245 2HB PRO 38 3HB PRO 38 16.580 -1.928 5.610 246 1HG PRO 38 2HG PRO 38 15.241 -2.192 2.988 247 2HG PRO 38 3HG PRO 38 16.909 -2.526 3.407 248 1HD PRO 38 2HD PRO 38 14.825 -4.452 2.993 249 2HD PRO 38 3HD PRO 38 16.462 -4.778 3.524 250 H PHE 39 HN PHE 39 13.004 -3.755 4.128 251 HA PHE 39 HA PHE 39 11.039 -2.010 5.134 252 1HB PHE 39 2HB PHE 39 10.688 -4.556 3.453 253 2HB PHE 39 3HB PHE 39 9.681 -3.123 3.394 254 HD1 PHE 39 HD1 PHE 39 10.706 -0.974 2.492 255 HD2 PHE 39 HD2 PHE 39 12.563 -4.765 2.052 256 HE1 PHE 39 HE1 PHE 39 12.103 -0.072 0.612 257 HE2 PHE 39 HE2 PHE 39 13.960 -3.862 0.172 258 HZ PHE 39 HZ PHE 39 13.713 -1.527 -0.525 259 H PHE 40 HN PHE 40 11.902 -5.405 5.773 260 HA PHE 40 HA PHE 40 9.437 -6.104 6.961 261 1HB PHE 40 2HB PHE 40 11.858 -7.298 6.153 262 2HB PHE 40 3HB PHE 40 11.972 -7.392 7.900 263 HD1 PHE 40 HD1 PHE 40 11.529 -9.560 8.546 264 HD2 PHE 40 HD2 PHE 40 9.073 -7.784 5.576 265 HE1 PHE 40 HE1 PHE 40 10.070 -11.602 8.532 266 HE2 PHE 40 HE2 PHE 40 7.614 -9.826 5.562 267 HZ PHE 40 HZ PHE 40 8.129 -11.711 7.040 268 H ARG 41 HN ARG 41 12.588 -4.864 8.215 269 HA ARG 41 HA ARG 41 11.645 -5.040 10.891 270 1HB ARG 41 2HB ARG 41 13.833 -3.985 11.460 271 2HB ARG 41 3HB ARG 41 14.050 -5.341 10.372 272 1HG ARG 41 2HG ARG 41 14.720 -4.006 8.605 273 2HG ARG 41 3HG ARG 41 13.638 -2.697 9.038 274 1HD ARG 41 2HD ARG 41 15.348 -1.599 10.049 275 2HD ARG 41 3HD ARG 41 15.563 -2.933 11.164 276 HE ARG 41 HE ARG 41 16.782 -3.801 8.803 277 1HH1 ARG 41 2HH2 ARG 41 17.165 -1.044 10.956 278 2HH1 ARG 41 1HH2 ARG 41 18.852 -0.850 10.614 279 1HH2 ARG 41 2HH1 ARG 41 19.007 -3.545 8.352 280 2HH2 ARG 41 1HH1 ARG 41 19.907 -2.282 9.124 281 H GLY 42 HN GLY 42 10.653 -3.118 8.466 282 1HA GLY 42 1HA GLY 42 10.312 -0.772 10.228 283 2HA GLY 42 2HA GLY 42 10.799 -0.589 8.555 284 H SER 43 HN SER 43 8.429 -2.879 10.077 285 HA SER 43 HA SER 43 6.282 -1.429 8.847 286 1HB SER 43 2HB SER 43 6.834 -4.338 8.110 287 2HB SER 43 3HB SER 43 5.415 -3.426 7.634 288 HG SER 43 HG SER 43 6.636 -2.135 6.276 289 H TYR 44 HN TYR 44 6.809 -4.838 10.016 290 HA TYR 44 HA TYR 44 5.666 -4.324 12.556 291 1HB TYR 44 2HB TYR 44 3.534 -5.519 12.135 292 2HB TYR 44 3HB TYR 44 3.664 -4.237 10.948 293 HD1 TYR 44 HD1 TYR 44 5.037 -5.053 8.718 294 HD2 TYR 44 HD2 TYR 44 2.775 -7.558 11.348 295 HE1 TYR 44 HE1 TYR 44 4.743 -6.757 6.854 296 HE2 TYR 44 HE2 TYR 44 2.488 -9.253 9.475 297 HH TYR 44 HH TYR 44 4.290 -9.506 6.985 298 H THR 45 HN THR 45 7.164 -5.567 13.609 299 HA THR 45 HA THR 45 8.044 -8.056 12.466 300 HB THR 45 HB THR 45 8.604 -6.506 15.041 301 HG1 THR 45 HG1 THR 45 9.622 -5.641 13.185 302 1HG2 THR 45 1HG2 THR 45 9.502 -9.247 14.121 303 2HG2 THR 45 2HG2 THR 45 10.700 -8.175 14.884 304 3HG2 THR 45 3HG2 THR 45 9.236 -8.651 15.777 305 H GLY 46 HN GLY 46 5.422 -8.437 12.492 306 1HA GLY 46 1HA GLY 46 5.061 -10.289 14.758 307 2HA GLY 46 2HA GLY 46 3.799 -9.152 14.328 308 H TRP 47 HN TRP 47 6.036 -10.898 12.091 309 HA TRP 47 HA TRP 47 3.651 -12.130 10.896 310 1HB TRP 47 2HB TRP 47 5.484 -12.396 8.974 311 2HB TRP 47 3HB TRP 47 4.426 -11.007 9.121 312 HD1 TRP 47 HD1 TRP 47 5.732 -8.762 8.926 313 HE1 TRP 47 HE1 TRP 47 8.155 -7.826 9.393 314 HE3 TRP 47 HE3 TRP 47 7.612 -13.094 10.811 315 HZ2 TRP 47 HZ2 TRP 47 10.532 -8.977 10.474 316 HZ3 TRP 47 HZ3 TRP 47 9.993 -13.103 11.550 317 HH2 TRP 47 HH2 TRP 47 11.439 -11.138 11.405 318 H ARG 48 HN ARG 48 6.200 -12.672 13.014 319 HA ARG 48 HA ARG 48 7.431 -14.915 12.176 320 1HB ARG 48 2HB ARG 48 7.898 -13.661 14.312 321 2HB ARG 48 3HB ARG 48 6.443 -14.338 15.016 322 1HG ARG 48 2HG ARG 48 7.446 -16.670 14.480 323 2HG ARG 48 3HG ARG 48 8.952 -15.835 14.150 324 1HD ARG 48 2HD ARG 48 9.371 -16.041 16.385 325 2HD ARG 48 3HD ARG 48 8.224 -14.734 16.600 326 HE ARG 48 HE ARG 48 6.589 -16.281 17.331 327 1HH1 ARG 48 2HH2 ARG 48 9.419 -17.967 16.094 328 2HH1 ARG 48 1HH2 ARG 48 8.932 -19.508 16.717 329 1HH2 ARG 48 2HH1 ARG 48 5.946 -18.314 18.154 330 2HH2 ARG 48 1HH1 ARG 48 6.943 -19.707 17.896 331 H ASN 49 HN ASN 49 4.075 -14.474 13.155 332 HA ASN 49 HA ASN 49 3.609 -17.186 13.778 333 1HB ASN 49 2HB ASN 49 2.074 -14.665 13.626 334 2HB ASN 49 3HB ASN 49 1.139 -16.024 13.034 335 1HD2 ASN 49 1HD2 ASN 49 3.144 -14.893 15.718 336 2HD2 ASN 49 2HD2 ASN 49 2.379 -15.802 16.978 337 H SER 50 HN SER 50 2.911 -14.966 10.982 338 HA SER 50 HA SER 50 1.762 -17.020 9.436 339 1HB SER 50 2HB SER 50 1.565 -14.364 9.315 340 2HB SER 50 3HB SER 50 2.924 -14.512 8.219 341 HG SER 50 HG SER 50 0.897 -14.578 7.076 342 H VAL 51 HN VAL 51 5.025 -15.874 10.080 343 HA VAL 51 HA VAL 51 6.195 -16.844 7.682 344 HB VAL 51 HB VAL 51 7.132 -15.827 10.332 345 1HG1 VAL 51 1HG1 VAL 51 8.571 -17.779 9.890 346 2HG1 VAL 51 2HG1 VAL 51 8.958 -17.125 8.281 347 3HG1 VAL 51 3HG1 VAL 51 9.470 -16.249 9.744 348 1HG2 VAL 51 1HG2 VAL 51 6.503 -14.377 8.325 349 2HG2 VAL 51 2HG2 VAL 51 8.097 -14.080 9.061 350 3HG2 VAL 51 3HG2 VAL 51 7.975 -15.004 7.545 351 H ARG 52 HN ARG 52 6.210 -18.050 11.116 352 HA ARG 52 HA ARG 52 7.490 -20.392 10.561 353 1HB ARG 52 2HB ARG 52 6.462 -21.215 12.706 354 2HB ARG 52 3HB ARG 52 7.125 -19.600 12.858 355 1HG ARG 52 2HG ARG 52 4.747 -18.726 12.317 356 2HG ARG 52 3HG ARG 52 4.195 -20.374 12.544 357 1HD ARG 52 2HD ARG 52 5.574 -20.172 14.839 358 2HD ARG 52 3HD ARG 52 5.331 -18.455 14.584 359 HE ARG 52 HE ARG 52 2.802 -19.442 14.185 360 1HH1 ARG 52 2HH2 ARG 52 5.154 -19.931 16.757 361 2HH1 ARG 52 1HH2 ARG 52 3.954 -20.198 17.977 362 1HH2 ARG 52 2HH1 ARG 52 1.219 -19.794 15.795 363 2HH2 ARG 52 1HH1 ARG 52 1.701 -20.120 17.427 364 H HIS 53 HN HIS 53 3.945 -19.636 10.626 365 HA HIS 53 HA HIS 53 2.997 -22.178 10.210 366 1HB HIS 53 2HB HIS 53 2.012 -19.440 9.993 367 2HB HIS 53 3HB HIS 53 1.269 -20.493 8.806 368 HD1 HIS 53 HD1 HIS 53 1.529 -19.927 12.523 369 HD2 HIS 53 HD2 HIS 53 -0.450 -22.481 9.848 370 HE1 HIS 53 HE1 HIS 53 -0.248 -21.150 13.885 371 H ASN 54 HN ASN 54 3.722 -19.629 7.719 372 HA ASN 54 HA ASN 54 3.193 -21.268 5.568 373 1HB ASN 54 2HB ASN 54 3.570 -18.695 5.648 374 2HB ASN 54 3HB ASN 54 5.288 -19.041 5.607 375 1HD2 ASN 54 1HD2 ASN 54 2.224 -19.584 3.930 376 2HD2 ASN 54 2HD2 ASN 54 2.860 -19.727 2.326 377 H LEU 55 HN LEU 55 6.003 -20.886 7.712 378 HA LEU 55 HA LEU 55 8.022 -21.872 6.110 379 1HB LEU 55 2HB LEU 55 7.757 -20.989 8.683 380 2HB LEU 55 3HB LEU 55 8.087 -22.691 8.933 381 HG LEU 55 HG LEU 55 9.999 -21.990 7.065 382 1HD1 LEU 55 1HD1 LEU 55 11.076 -19.948 7.963 383 2HD1 LEU 55 2HD1 LEU 55 9.496 -19.632 7.206 384 3HD1 LEU 55 3HD1 LEU 55 9.642 -19.668 8.980 385 1HD2 LEU 55 1HD2 LEU 55 10.242 -23.411 9.088 386 2HD2 LEU 55 2HD2 LEU 55 11.586 -22.267 8.855 387 3HD2 LEU 55 3HD2 LEU 55 10.334 -21.933 10.076 388 H SER 56 HN SER 56 5.815 -23.674 8.363 389 HA SER 56 HA SER 56 6.821 -26.142 7.349 390 1HB SER 56 2HB SER 56 6.231 -26.543 9.521 391 2HB SER 56 3HB SER 56 5.061 -25.239 9.553 392 HG SER 56 HG SER 56 3.479 -26.566 8.698 393 H LEU 57 HN LEU 57 4.154 -23.911 6.736 394 HA LEU 57 HA LEU 57 2.569 -25.869 5.350 395 1HB LEU 57 2HB LEU 57 1.873 -23.721 6.695 396 2HB LEU 57 3HB LEU 57 2.148 -22.914 5.164 397 HG LEU 57 HG LEU 57 0.576 -24.894 4.274 398 1HD1 LEU 57 1HD1 LEU 57 0.146 -24.805 7.213 399 2HD1 LEU 57 2HD1 LEU 57 -1.304 -24.881 6.184 400 3HD1 LEU 57 3HD1 LEU 57 -0.055 -26.143 6.056 401 1HD2 LEU 57 1HD2 LEU 57 -0.776 -22.580 5.628 402 2HD2 LEU 57 2HD2 LEU 57 0.346 -22.300 4.275 403 3HD2 LEU 57 3HD2 LEU 57 -1.096 -23.317 4.040 404 H ASN 58 HN ASN 58 5.499 -24.523 4.681 405 HA ASN 58 HA ASN 58 4.845 -24.216 1.859 406 1HB ASN 58 2HB ASN 58 5.929 -22.216 2.789 407 2HB ASN 58 3HB ASN 58 7.190 -23.180 3.530 408 1HD2 ASN 58 1HD2 ASN 58 8.784 -24.151 2.268 409 2HD2 ASN 58 2HD2 ASN 58 9.152 -23.628 0.658 410 H ASP 59 HN ASP 59 7.690 -25.134 3.962 411 HA ASP 59 HA ASP 59 8.613 -26.943 1.986 412 1HB ASP 59 2HB ASP 59 9.618 -25.673 4.371 413 2HB ASP 59 3HB ASP 59 9.831 -27.400 4.572 414 H CYS 60 HN CYS 60 7.363 -27.164 5.404 415 HA CYS 60 HA CYS 60 5.982 -28.690 6.277 416 1HB CYS 60 2HB CYS 60 6.428 -30.605 3.980 417 2HB CYS 60 3HB CYS 60 5.100 -30.564 5.123 418 HG CYS 60 HG CYS 60 3.857 -28.599 4.282 419 H PHE 61 HN PHE 61 8.043 -28.532 7.638 420 HA PHE 61 HA PHE 61 9.420 -31.124 7.576 421 1HB PHE 61 2HB PHE 61 11.232 -29.453 8.747 422 2HB PHE 61 3HB PHE 61 11.177 -29.662 7.008 423 HD1 PHE 61 HD1 PHE 61 11.500 -27.678 5.900 424 HD2 PHE 61 HD2 PHE 61 9.184 -27.651 9.455 425 HE1 PHE 61 HE1 PHE 61 11.094 -25.217 5.617 426 HE2 PHE 61 HE2 PHE 61 8.778 -25.190 9.172 427 HZ PHE 61 HZ PHE 61 9.738 -24.003 7.256 428 H VAL 62 HN VAL 62 10.907 -30.769 9.961 429 HA VAL 62 HA VAL 62 8.731 -30.540 11.925 430 HB VAL 62 HB VAL 62 11.097 -32.417 11.804 431 1HG1 VAL 62 1HG1 VAL 62 10.901 -31.794 14.096 432 2HG1 VAL 62 2HG1 VAL 62 9.124 -31.888 14.043 433 3HG1 VAL 62 3HG1 VAL 62 10.098 -33.374 13.928 434 1HG2 VAL 62 1HG2 VAL 62 8.180 -33.169 12.014 435 2HG2 VAL 62 2HG2 VAL 62 8.949 -32.855 10.439 436 3HG2 VAL 62 3HG2 VAL 62 9.560 -34.160 11.484 437 H LYS 63 HN LYS 63 9.486 -29.897 14.147 438 HA LYS 63 HA LYS 63 11.800 -28.099 13.914 439 1HB LYS 63 2HB LYS 63 10.152 -26.545 14.113 440 2HB LYS 63 3HB LYS 63 9.037 -27.644 14.900 441 1HG LYS 63 2HG LYS 63 10.769 -27.531 16.911 442 2HG LYS 63 3HG LYS 63 11.314 -26.063 16.125 443 1HD LYS 63 2HD LYS 63 8.575 -26.668 17.288 444 2HD LYS 63 3HD LYS 63 9.646 -25.336 17.671 445 1HE LYS 63 2HE LYS 63 8.462 -24.085 16.188 446 2HE LYS 63 3HE LYS 63 9.202 -25.031 14.912 447 1HZ LYS 63 1HZ LYS 63 6.557 -25.236 16.024 448 2HZ LYS 63 2HZ LYS 63 7.070 -25.507 14.497 449 3HZ LYS 63 3HZ LYS 63 7.270 -26.655 15.642 450 H VAL 64 HN VAL 64 13.064 -27.797 15.892 451 HA VAL 64 HA VAL 64 12.765 -30.094 17.703 452 HB VAL 64 HB VAL 64 15.315 -28.744 16.795 453 1HG1 VAL 64 1HG1 VAL 64 15.027 -31.360 18.291 454 2HG1 VAL 64 2HG1 VAL 64 16.499 -30.399 18.012 455 3HG1 VAL 64 3HG1 VAL 64 15.239 -29.797 19.116 456 1HG2 VAL 64 1HG2 VAL 64 14.808 -29.901 14.889 457 2HG2 VAL 64 2HG2 VAL 64 15.570 -31.216 15.815 458 3HG2 VAL 64 3HG2 VAL 64 13.796 -31.090 15.743 459 H LEU 65 HN LEU 65 11.483 -28.927 19.209 460 HA LEU 65 HA LEU 65 11.728 -26.414 20.080 461 1HB LEU 65 2HB LEU 65 10.526 -27.034 21.917 462 2HB LEU 65 3HB LEU 65 10.190 -28.348 20.807 463 HG LEU 65 HG LEU 65 12.497 -29.045 22.367 464 1HD1 LEU 65 1HD1 LEU 65 10.416 -27.575 23.839 465 2HD1 LEU 65 2HD1 LEU 65 10.816 -29.172 24.518 466 3HD1 LEU 65 3HD1 LEU 65 12.096 -27.957 24.285 467 1HD2 LEU 65 1HD2 LEU 65 9.678 -30.158 22.357 468 2HD2 LEU 65 2HD2 LEU 65 10.987 -30.615 21.241 469 3HD2 LEU 65 3HD2 LEU 65 11.134 -30.972 22.979 470 H ARG 66 HN ARG 66 12.823 -25.349 21.898 471 HA ARG 66 HA ARG 66 15.544 -25.716 21.749 472 1HB ARG 66 2HB ARG 66 13.687 -23.930 23.053 473 2HB ARG 66 3HB ARG 66 14.861 -24.430 24.254 474 1HG ARG 66 2HG ARG 66 16.573 -23.937 22.208 475 2HG ARG 66 3HG ARG 66 15.279 -22.860 21.723 476 1HD ARG 66 2HD ARG 66 15.695 -22.539 24.571 477 2HD ARG 66 3HD ARG 66 17.255 -22.448 23.779 478 HE ARG 66 HE ARG 66 15.533 -20.869 22.213 479 1HH1 ARG 66 2HH2 ARG 66 16.672 -20.880 25.542 480 2HH1 ARG 66 1HH2 ARG 66 16.538 -19.163 25.728 481 1HH2 ARG 66 2HH1 ARG 66 15.356 -18.603 22.458 482 2HH2 ARG 66 1HH1 ARG 66 15.785 -17.859 23.962 483 H ASP 67 HN ASP 67 16.038 -27.957 22.222 484 HA ASP 67 HA ASP 67 15.426 -28.787 24.931 485 1HB ASP 67 2HB ASP 67 15.647 -30.117 22.362 486 2HB ASP 67 3HB ASP 67 16.820 -30.825 23.455 487 HA PRO 68 HA PRO 68 19.679 -28.610 25.997 488 1HB PRO 68 2HB PRO 68 20.109 -30.818 27.548 489 2HB PRO 68 3HB PRO 68 19.319 -29.370 28.140 490 1HG PRO 68 2HG PRO 68 18.119 -31.974 27.419 491 2HG PRO 68 3HG PRO 68 17.440 -30.684 28.392 492 1HD PRO 68 2HD PRO 68 16.779 -31.311 25.672 493 2HD PRO 68 3HD PRO 68 16.188 -29.952 26.608 494 H SER 69 HN SER 69 20.008 -28.895 23.568 495 HA SER 69 HA SER 69 21.694 -31.264 23.333 496 1HB SER 69 2HB SER 69 19.740 -30.046 21.365 497 2HB SER 69 3HB SER 69 21.107 -30.970 20.777 498 HG SER 69 HG SER 69 19.143 -32.257 21.106 499 H ARG 70 HN ARG 70 21.020 -27.881 22.240 500 HA ARG 70 HA ARG 70 23.893 -27.594 21.928 501 1HB ARG 70 2HB ARG 70 21.764 -26.401 20.079 502 2HB ARG 70 3HB ARG 70 23.485 -26.096 19.956 503 1HG ARG 70 2HG ARG 70 23.909 -28.125 18.969 504 2HG ARG 70 3HG ARG 70 22.807 -28.984 20.027 505 1HD ARG 70 2HD ARG 70 21.559 -29.168 18.094 506 2HD ARG 70 3HD ARG 70 20.972 -27.592 18.584 507 HE ARG 70 HE ARG 70 22.108 -26.637 16.776 508 1HH1 ARG 70 2HH2 ARG 70 23.444 -29.830 17.408 509 2HH1 ARG 70 1HH2 ARG 70 24.456 -29.825 16.003 510 1HH2 ARG 70 2HH1 ARG 70 23.443 -26.630 14.922 511 2HH2 ARG 70 1HH1 ARG 70 24.456 -27.992 14.579 512 HA PRO 71 HA PRO 71 22.051 -24.374 24.596 513 1HB PRO 71 2HB PRO 71 23.570 -24.804 26.827 514 2HB PRO 71 3HB PRO 71 21.983 -25.511 26.597 515 1HG PRO 71 2HG PRO 71 24.635 -26.800 26.388 516 2HG PRO 71 3HG PRO 71 23.063 -27.549 26.583 517 1HD PRO 71 2HD PRO 71 24.602 -27.394 24.167 518 2HD PRO 71 3HD PRO 71 22.982 -28.039 24.338 519 H TRP 72 HN TRP 72 24.825 -24.962 23.012 520 HA TRP 72 HA TRP 72 26.723 -23.311 23.962 521 1HB TRP 72 2HB TRP 72 27.679 -23.742 22.019 522 2HB TRP 72 3HB TRP 72 26.228 -24.625 21.589 523 HD1 TRP 72 HD1 TRP 72 24.405 -23.237 20.006 524 HE1 TRP 72 HE1 TRP 72 24.678 -21.305 18.230 525 HE3 TRP 72 HE3 TRP 72 29.015 -21.754 21.554 526 HZ2 TRP 72 HZ2 TRP 72 26.746 -19.414 17.685 527 HZ3 TRP 72 HZ3 TRP 72 30.091 -19.857 20.346 528 HH2 TRP 72 HH2 TRP 72 29.032 -18.699 18.473 529 H GLY 73 HN GLY 73 23.680 -22.432 22.239 530 1HA GLY 73 1HA GLY 73 24.222 -19.602 22.918 531 2HA GLY 73 2HA GLY 73 23.386 -20.125 21.469 532 H LYS 74 HN LYS 74 21.265 -19.522 21.669 533 HA LYS 74 HA LYS 74 19.699 -20.749 23.700 534 1HB LYS 74 2HB LYS 74 20.668 -18.014 24.134 535 2HB LYS 74 3HB LYS 74 18.921 -18.135 24.188 536 1HG LYS 74 2HG LYS 74 19.309 -20.218 25.729 537 2HG LYS 74 3HG LYS 74 20.954 -19.633 25.884 538 1HD LYS 74 2HD LYS 74 19.370 -17.333 26.300 539 2HD LYS 74 3HD LYS 74 18.490 -18.607 27.121 540 1HE LYS 74 2HE LYS 74 19.936 -18.305 28.854 541 2HE LYS 74 3HE LYS 74 21.127 -19.133 27.872 542 1HZ LYS 74 1HZ LYS 74 22.027 -17.078 28.491 543 2HZ LYS 74 2HZ LYS 74 21.644 -16.917 26.912 544 3HZ LYS 74 3HZ LYS 74 20.696 -16.239 28.056 545 H ASP 75 HN ASP 75 19.796 -20.981 20.901 546 HA ASP 75 HA ASP 75 17.399 -19.497 20.156 547 1HB ASP 75 2HB ASP 75 18.151 -19.929 17.775 548 2HB ASP 75 3HB ASP 75 19.214 -18.876 18.687 549 H ASN 76 HN ASN 76 16.552 -20.986 17.954 550 HA ASN 76 HA ASN 76 16.444 -23.720 18.944 551 1HB ASN 76 2HB ASN 76 14.324 -22.251 19.413 552 2HB ASN 76 3HB ASN 76 14.048 -22.308 17.683 553 1HD2 ASN 76 1HD2 ASN 76 12.369 -23.597 17.439 554 2HD2 ASN 76 2HD2 ASN 76 12.219 -25.222 18.018 555 H TYR 77 HN TYR 77 16.114 -25.321 17.190 556 HA TYR 77 HA TYR 77 16.349 -24.195 14.487 557 1HB TYR 77 2HB TYR 77 17.910 -26.313 14.219 558 2HB TYR 77 3HB TYR 77 18.581 -24.932 15.062 559 HD1 TYR 77 HD1 TYR 77 18.257 -24.938 17.691 560 HD2 TYR 77 HD2 TYR 77 18.027 -28.419 15.214 561 HE1 TYR 77 HE1 TYR 77 18.743 -26.413 19.705 562 HE2 TYR 77 HE2 TYR 77 18.514 -29.881 17.236 563 HH TYR 77 HH TYR 77 18.063 -29.417 19.942 564 H TRP 78 HN TRP 78 15.572 -25.611 12.771 565 HA TRP 78 HA TRP 78 13.686 -27.616 13.809 566 1HB TRP 78 2HB TRP 78 13.460 -25.911 11.322 567 2HB TRP 78 3HB TRP 78 12.319 -27.139 11.833 568 HD1 TRP 78 HD1 TRP 78 13.357 -25.365 14.899 569 HE1 TRP 78 HE1 TRP 78 11.643 -23.520 15.689 570 HE3 TRP 78 HE3 TRP 78 10.712 -25.216 10.559 571 HZ2 TRP 78 HZ2 TRP 78 9.423 -22.235 14.438 572 HZ3 TRP 78 HZ3 TRP 78 8.786 -23.639 10.426 573 HH2 TRP 78 HH2 TRP 78 8.128 -22.181 12.274 574 H MET 79 HN MET 79 13.320 -29.473 12.247 575 HA MET 79 HA MET 79 15.790 -29.977 10.772 576 1HB MET 79 2HB MET 79 15.230 -32.450 11.303 577 2HB MET 79 3HB MET 79 15.732 -31.478 12.673 578 1HG MET 79 2HG MET 79 13.659 -31.573 13.674 579 2HG MET 79 3HG MET 79 12.801 -31.406 12.155 580 1HE MET 79 1HE MET 79 14.049 -33.798 10.352 581 2HE MET 79 2HE MET 79 12.736 -34.952 10.687 582 3HE MET 79 3HE MET 79 12.371 -33.221 10.488 583 H LEU 80 HN LEU 80 15.416 -29.924 8.599 584 HA LEU 80 HA LEU 80 12.844 -31.012 7.685 585 1HB LEU 80 2HB LEU 80 12.945 -29.428 5.835 586 2HB LEU 80 3HB LEU 80 12.844 -28.638 7.396 587 HG LEU 80 HG LEU 80 15.585 -29.013 6.322 588 1HD1 LEU 80 1HD1 LEU 80 15.154 -28.208 4.290 589 2HD1 LEU 80 2HD1 LEU 80 13.487 -27.762 4.727 590 3HD1 LEU 80 3HD1 LEU 80 14.830 -26.651 5.088 591 1HD2 LEU 80 1HD2 LEU 80 15.172 -26.359 7.043 592 2HD2 LEU 80 2HD2 LEU 80 14.153 -27.285 8.172 593 3HD2 LEU 80 3HD2 LEU 80 15.893 -27.641 8.046 594 H ASN 81 HN ASN 81 12.894 -32.160 5.625 595 HA ASN 81 HA ASN 81 15.450 -32.736 4.523 596 1HB ASN 81 2HB ASN 81 15.426 -35.155 4.951 597 2HB ASN 81 3HB ASN 81 15.332 -34.323 6.491 598 1HD2 ASN 81 1HD2 ASN 81 13.567 -34.496 7.757 599 2HD2 ASN 81 2HD2 ASN 81 12.201 -35.509 7.427 600 HA PRO 82 HA PRO 82 12.733 -33.575 1.184 601 1HB PRO 82 2HB PRO 82 14.266 -35.124 -0.465 602 2HB PRO 82 3HB PRO 82 14.420 -33.381 -0.371 603 1HG PRO 82 2HG PRO 82 16.201 -35.461 0.743 604 2HG PRO 82 3HG PRO 82 16.539 -33.766 0.454 605 1HD PRO 82 2HD PRO 82 15.981 -34.998 2.984 606 2HD PRO 82 3HD PRO 82 16.205 -33.287 2.678
Contact the webmaster for help, if required. Monday, July 1, 2024 1:21:12 AM GMT (wattos1)