NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10670 | 1q3m | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H LEU 16 HN LEU 16 -3.713 4.137 9.285 2 HA LEU 16 HA LEU 16 -2.202 5.435 7.297 3 1HB LEU 16 HB2 LEU 16 -2.971 3.153 7.033 4 2HB LEU 16 HB1 LEU 16 -4.642 3.671 7.085 5 HG LEU 16 HG LEU 16 -3.755 3.069 4.809 6 1HD1 LEU 16 HD11 LEU 16 -5.692 4.714 5.412 7 2HD1 LEU 16 HD12 LEU 16 -5.120 4.572 3.750 8 3HD1 LEU 16 HD13 LEU 16 -4.595 5.924 4.749 9 1HD2 LEU 16 HD21 LEU 16 -1.533 4.267 5.293 10 2HD2 LEU 16 HD22 LEU 16 -2.392 5.737 4.837 11 3HD2 LEU 16 HD23 LEU 16 -2.229 4.417 3.680 12 1HN CGU 17 HN CGU 17 -2.518 7.242 6.210 13 HA CGU 17 HA CGU 17 -5.158 8.547 6.338 14 1HB CGU 17 HB1 CGU 17 -3.815 10.673 5.904 15 2HB CGU 17 HB2 CGU 17 -2.365 9.708 6.190 16 HG CGU 17 HG2 CGU 17 -3.224 9.101 8.424 17 HA PRO 18 HA PRO 18 -5.734 8.713 1.960 18 1HB PRO 18 HB2 PRO 18 -5.286 11.660 1.932 19 2HB PRO 18 HB1 PRO 18 -6.648 10.722 1.311 20 1HG PRO 18 HG2 PRO 18 -6.883 12.098 3.571 21 2HG PRO 18 HG1 PRO 18 -7.614 10.490 3.411 22 1HD PRO 18 HD2 PRO 18 -5.125 11.308 4.848 23 2HD PRO 18 HD1 PRO 18 -6.350 10.108 5.308 24 H LYS 19 HN LYS 19 -3.859 7.641 1.316 25 HA LYS 19 HA LYS 19 -1.617 9.349 0.449 26 1HB LYS 19 HB2 LYS 19 -1.613 6.449 1.292 27 2HB LYS 19 HB1 LYS 19 -0.224 7.284 0.614 28 1HG LYS 19 HG2 LYS 19 -0.141 8.782 2.492 29 2HG LYS 19 HG1 LYS 19 -1.625 8.094 3.150 30 1HD LYS 19 HD2 LYS 19 -0.488 5.919 3.376 31 2HD LYS 19 HD1 LYS 19 0.999 6.654 2.775 32 1HE LYS 19 HE2 LYS 19 1.030 8.180 4.672 33 2HE LYS 19 HE1 LYS 19 -0.486 7.498 5.262 34 1HZ LYS 19 HZ1 LYS 19 0.577 5.426 5.678 35 2HZ LYS 19 HZ2 LYS 19 1.535 6.630 6.380 36 3HZ LYS 19 HZ3 LYS 19 2.006 5.922 4.918 37 H ARG 20 HN ARG 20 -3.856 6.816 -0.504 38 HA ARG 20 HA ARG 20 -2.603 6.163 -2.959 39 1HB ARG 20 HB2 ARG 20 -5.330 5.678 -1.823 40 2HB ARG 20 HB1 ARG 20 -4.994 5.295 -3.505 41 1HG ARG 20 HG2 ARG 20 -4.724 3.324 -2.154 42 2HG ARG 20 HG1 ARG 20 -3.157 3.826 -2.785 43 1HD ARG 20 HD2 ARG 20 -2.941 3.165 -0.466 44 2HD ARG 20 HD1 ARG 20 -2.650 4.895 -0.627 45 HE ARG 20 HE ARG 20 -4.394 5.243 0.787 46 1HH1 ARG 20 HH11 ARG 20 -4.820 2.070 -0.643 47 2HH1 ARG 20 HH12 ARG 20 -6.266 1.733 0.245 48 1HH2 ARG 20 HH21 ARG 20 -6.294 4.786 1.952 49 2HH2 ARG 20 HH22 ARG 20 -7.102 3.272 1.719 50 1HN CGU 21 HN CGU 21 -3.986 9.067 -2.131 51 HA CGU 21 HA CGU 21 -5.598 9.770 -4.286 52 1HB CGU 21 HB1 CGU 21 -3.702 11.409 -2.592 53 2HB CGU 21 HB2 CGU 21 -4.707 12.137 -3.849 54 HG CGU 21 HG2 CGU 21 -5.727 10.505 -1.508 55 H VAL 22 HN VAL 22 -2.084 9.704 -3.985 56 HA VAL 22 HA VAL 22 -1.571 10.829 -6.575 57 HB VAL 22 HB VAL 22 0.287 9.232 -4.800 58 1HG1 VAL 22 HG11 VAL 22 1.950 10.798 -6.111 59 2HG1 VAL 22 HG12 VAL 22 0.662 10.777 -7.315 60 3HG1 VAL 22 HG13 VAL 22 1.406 9.266 -6.793 61 1HG2 VAL 22 HG21 VAL 22 -0.277 12.188 -4.921 62 2HG2 VAL 22 HG22 VAL 22 1.153 11.501 -4.150 63 3HG2 VAL 22 HG23 VAL 22 -0.453 11.107 -3.539 64 H CYS 23 HN CYS 23 -1.888 7.597 -5.223 65 HA CYS 23 HA CYS 23 -0.806 6.020 -7.210 66 1HB CYS 23 HB2 CYS 23 -1.655 5.170 -5.063 67 2HB CYS 23 HB1 CYS 23 -3.304 5.455 -5.602 68 1HN CGU 24 HN CGU 24 -4.010 7.529 -7.114 69 HA CGU 24 HA CGU 24 -5.154 6.252 -9.317 70 1HB CGU 24 HB1 CGU 24 -6.304 8.713 -9.451 71 2HB CGU 24 HB2 CGU 24 -5.667 8.742 -7.804 72 HG CGU 24 HG2 CGU 24 -7.432 6.574 -8.975 73 H LEU 25 HN LEU 25 -2.922 8.969 -9.167 74 HA LEU 25 HA LEU 25 -3.195 9.694 -11.919 75 1HB LEU 25 HB2 LEU 25 -1.117 10.370 -9.842 76 2HB LEU 25 HB1 LEU 25 -1.056 10.979 -11.484 77 HG LEU 25 HG LEU 25 -1.977 12.670 -10.037 78 1HD1 LEU 25 HD11 LEU 25 -3.849 13.259 -11.289 79 2HD1 LEU 25 HD12 LEU 25 -4.339 11.581 -11.524 80 3HD1 LEU 25 HD13 LEU 25 -2.929 12.215 -12.373 81 1HD2 LEU 25 HD21 LEU 25 -4.277 10.861 -9.371 82 2HD2 LEU 25 HD22 LEU 25 -3.820 12.391 -8.622 83 3HD2 LEU 25 HD23 LEU 25 -2.837 10.951 -8.357 84 H ASN 26 HN ASN 26 -0.673 7.937 -10.088 85 HA ASN 26 HA ASN 26 0.734 7.272 -12.507 86 1HB ASN 26 HB2 ASN 26 2.201 5.918 -11.002 87 2HB ASN 26 HB1 ASN 26 2.069 7.610 -10.546 88 1HD2 ASN 26 HD21 ASN 26 1.691 8.022 -8.490 89 2HD2 ASN 26 HD22 ASN 26 1.039 6.913 -7.337 90 HA PRO 27 HA PRO 27 -1.904 3.804 -13.506 91 1HB PRO 27 HB2 PRO 27 0.315 3.190 -15.372 92 2HB PRO 27 HB1 PRO 27 -1.405 3.419 -15.702 93 1HG PRO 27 HG2 PRO 27 0.368 5.288 -16.377 94 2HG PRO 27 HG1 PRO 27 -1.226 5.733 -15.736 95 1HD PRO 27 HD2 PRO 27 1.429 5.686 -14.349 96 2HD PRO 27 HD1 PRO 27 0.125 6.889 -14.248 97 H ASP 28 HN ASP 28 1.405 3.626 -12.446 98 HA ASP 28 HA ASP 28 2.035 0.967 -12.523 99 1HB ASP 28 HB2 ASP 28 2.548 2.905 -10.256 100 2HB ASP 28 HB1 ASP 28 3.346 1.349 -10.435 101 H CYS 29 HN CYS 29 0.463 2.500 -9.692 102 HA CYS 29 HA CYS 29 -0.530 -0.139 -8.898 103 1HB CYS 29 HB2 CYS 29 -1.056 0.935 -6.731 104 2HB CYS 29 HB1 CYS 29 0.645 1.064 -7.162 105 H ASP 30 HN ASP 30 -1.629 2.710 -10.429 106 HA ASP 30 HA ASP 30 -4.281 2.875 -9.542 107 1HB ASP 30 HB2 ASP 30 -3.207 4.597 -10.943 108 2HB ASP 30 HB1 ASP 30 -3.191 3.479 -12.301 109 H GLU 31 HN GLU 31 -2.734 0.718 -11.831 110 HA GLU 31 HA GLU 31 -4.985 -0.310 -13.133 111 1HB GLU 31 HB2 GLU 31 -2.673 -0.700 -13.873 112 2HB GLU 31 HB1 GLU 31 -2.396 -1.716 -12.466 113 1HG GLU 31 HG2 GLU 31 -4.076 -3.294 -13.265 114 2HG GLU 31 HG1 GLU 31 -4.372 -2.270 -14.669 115 H LEU 32 HN LEU 32 -3.832 -0.824 -9.906 116 HA LEU 32 HA LEU 32 -4.834 -3.345 -9.300 117 1HB LEU 32 HB2 LEU 32 -3.401 -1.933 -7.827 118 2HB LEU 32 HB1 LEU 32 -4.800 -0.934 -7.482 119 HG LEU 32 HG LEU 32 -5.918 -2.990 -6.544 120 1HD1 LEU 32 HD11 LEU 32 -4.773 -4.798 -7.444 121 2HD1 LEU 32 HD12 LEU 32 -4.191 -4.734 -5.780 122 3HD1 LEU 32 HD13 LEU 32 -3.192 -4.102 -7.088 123 1HD2 LEU 32 HD21 LEU 32 -5.166 -1.484 -4.945 124 2HD2 LEU 32 HD22 LEU 32 -3.470 -1.752 -5.345 125 3HD2 LEU 32 HD23 LEU 32 -4.376 -2.989 -4.475 126 H ALA 33 HN ALA 33 -6.474 -0.187 -9.176 127 HA ALA 33 HA ALA 33 -8.905 -1.043 -8.091 128 1HB ALA 33 HB1 ALA 33 -9.844 1.026 -8.979 129 2HB ALA 33 HB2 ALA 33 -8.416 1.243 -9.992 130 3HB ALA 33 HB3 ALA 33 -8.268 1.301 -8.235 131 H ASP 34 HN ASP 34 -7.643 -1.580 -11.254 132 HA ASP 34 HA ASP 34 -10.061 -1.758 -12.695 133 1HB ASP 34 HB2 ASP 34 -7.362 -3.014 -13.196 134 2HB ASP 34 HB1 ASP 34 -8.704 -3.098 -14.330 135 H HIS 35 HN HIS 35 -8.213 -4.239 -10.904 136 HA HIS 35 HA HIS 35 -10.463 -6.063 -11.422 137 1HB HIS 35 HB2 HIS 35 -8.925 -7.949 -11.085 138 2HB HIS 35 HB1 HIS 35 -8.449 -6.919 -12.424 139 HD1 HIS 35 HD1 HIS 35 -6.231 -8.533 -11.673 140 HD2 HIS 35 HD2 HIS 35 -7.114 -5.138 -9.459 141 HE1 HIS 35 HE1 HIS 35 -4.106 -7.945 -10.468 142 HE2 HIS 35 HE2 HIS 35 -4.634 -5.817 -9.231 143 H ILE 36 HN ILE 36 -8.753 -4.472 -8.853 144 HA ILE 36 HA ILE 36 -10.562 -5.770 -6.980 145 HB ILE 36 HB ILE 36 -8.809 -6.230 -5.312 146 1HG1 ILE 36 HG12 ILE 36 -6.908 -5.593 -7.578 147 2HG1 ILE 36 HG11 ILE 36 -7.052 -4.728 -6.053 148 1HG2 ILE 36 HG21 ILE 36 -8.258 -7.703 -7.874 149 2HG2 ILE 36 HG22 ILE 36 -9.707 -7.946 -6.898 150 3HG2 ILE 36 HG23 ILE 36 -8.119 -8.308 -6.223 151 1HD1 ILE 36 HD11 ILE 36 -6.558 -7.422 -5.415 152 2HD1 ILE 36 HD12 ILE 36 -5.497 -6.031 -5.200 153 3HD1 ILE 36 HD13 ILE 36 -5.429 -6.969 -6.691 154 H GLY 37 HN GLY 37 -7.832 -3.437 -7.064 155 1HA GLY 37 HA2 GLY 37 -7.643 -1.323 -6.201 156 2HA GLY 37 HA1 GLY 37 -9.394 -1.237 -6.291 157 H PHE 38 HN PHE 38 -6.769 -2.562 -4.271 158 HA PHE 38 HA PHE 38 -8.457 -2.019 -1.921 159 1HB PHE 38 HB2 PHE 38 -6.529 -4.282 -2.413 160 2HB PHE 38 HB1 PHE 38 -7.060 -3.843 -0.795 161 HD1 PHE 38 HD1 PHE 38 -8.626 -4.453 -4.135 162 HD2 PHE 38 HD2 PHE 38 -8.747 -5.111 0.064 163 HE1 PHE 38 HE1 PHE 38 -10.631 -5.848 -4.416 164 HE2 PHE 38 HE2 PHE 38 -10.753 -6.510 -0.207 165 HZ PHE 38 HZ PHE 38 -11.698 -6.880 -2.451 166 H GLN 39 HN GLN 39 -4.996 -2.780 -2.363 167 HA GLN 39 HA GLN 39 -3.991 -0.223 -1.818 168 1HB GLN 39 HB2 GLN 39 -3.228 -0.516 0.524 169 2HB GLN 39 HB1 GLN 39 -4.977 -0.421 0.377 170 1HG GLN 39 HG2 GLN 39 -5.138 -2.843 0.583 171 2HG GLN 39 HG1 GLN 39 -3.383 -2.956 0.698 172 1HE2 GLN 39 HE21 GLN 39 -6.170 -2.909 2.444 173 2HE2 GLN 39 HE22 GLN 39 -5.540 -2.415 3.976 174 H GLU 40 HN GLU 40 -3.518 -3.700 -1.603 175 HA GLU 40 HA GLU 40 -0.918 -4.103 -1.121 176 1HB GLU 40 HB2 GLU 40 -0.960 -5.990 -2.715 177 2HB GLU 40 HB1 GLU 40 -2.390 -5.924 -1.695 178 1HG GLU 40 HG2 GLU 40 -3.645 -4.903 -3.538 179 2HG GLU 40 HG1 GLU 40 -2.211 -5.006 -4.557 180 H ALA 41 HN ALA 41 -2.115 -3.018 -4.312 181 HA ALA 41 HA ALA 41 0.330 -2.999 -5.652 182 1HB ALA 41 HB1 ALA 41 -1.936 -2.713 -6.677 183 2HB ALA 41 HB2 ALA 41 -0.699 -1.614 -7.287 184 3HB ALA 41 HB3 ALA 41 -1.899 -1.036 -6.131 185 H TYR 42 HN TYR 42 -1.228 -0.393 -3.799 186 HA TYR 42 HA TYR 42 0.772 1.547 -4.259 187 1HB TYR 42 HB2 TYR 42 -1.515 2.075 -3.472 188 2HB TYR 42 HB1 TYR 42 -1.137 1.332 -1.924 189 HD1 TYR 42 HD1 TYR 42 0.948 2.347 -0.674 190 HD2 TYR 42 HD2 TYR 42 -1.222 4.342 -3.731 191 HE1 TYR 42 HE1 TYR 42 1.809 4.503 0.131 192 HE2 TYR 42 HE2 TYR 42 -0.368 6.505 -2.942 193 HH TYR 42 HH TYR 42 1.671 7.314 -1.639 194 H ARG 43 HN ARG 43 0.371 -0.934 -1.791 195 HA ARG 43 HA ARG 43 2.416 -0.085 -0.049 196 1HB ARG 43 HB2 ARG 43 1.360 -2.878 -0.503 197 2HB ARG 43 HB1 ARG 43 2.316 -2.358 0.876 198 1HG ARG 43 HG2 ARG 43 0.521 -0.794 1.501 199 2HG ARG 43 HG1 ARG 43 -0.441 -1.394 0.150 200 1HD ARG 43 HD2 ARG 43 -1.167 -2.484 2.161 201 2HD ARG 43 HD1 ARG 43 -0.338 -3.660 1.144 202 HE ARG 43 HE ARG 43 1.539 -2.593 2.907 203 1HH1 ARG 43 HH11 ARG 43 -1.363 -4.546 3.052 204 2HH1 ARG 43 HH12 ARG 43 -0.869 -5.393 4.478 205 1HH2 ARG 43 HH21 ARG 43 2.184 -3.712 4.786 206 2HH2 ARG 43 HH22 ARG 43 1.145 -4.921 5.462 207 H ARG 44 HN ARG 44 2.528 -1.746 -3.085 208 HA ARG 44 HA ARG 44 4.925 -3.155 -2.869 209 1HB ARG 44 HB2 ARG 44 3.801 -1.797 -5.325 210 2HB ARG 44 HB1 ARG 44 5.015 -3.069 -5.316 211 1HG ARG 44 HG2 ARG 44 3.390 -4.615 -4.347 212 2HG ARG 44 HG1 ARG 44 2.175 -3.338 -4.358 213 1HD ARG 44 HD2 ARG 44 2.431 -3.176 -6.816 214 2HD ARG 44 HD1 ARG 44 3.540 -4.546 -6.758 215 HE ARG 44 HE ARG 44 0.716 -4.660 -6.742 216 1HH1 ARG 44 HH11 ARG 44 3.522 -6.250 -5.367 217 2HH1 ARG 44 HH12 ARG 44 2.684 -7.736 -5.076 218 1HH2 ARG 44 HH21 ARG 44 -0.374 -6.621 -6.357 219 2HH2 ARG 44 HH22 ARG 44 0.476 -7.948 -5.640 220 H PHE 45 HN PHE 45 4.379 0.269 -3.608 221 HA PHE 45 HA PHE 45 7.298 0.619 -3.641 222 1HB PHE 45 HB2 PHE 45 6.948 2.652 -5.001 223 2HB PHE 45 HB1 PHE 45 6.393 1.188 -5.795 224 HD1 PHE 45 HD1 PHE 45 3.788 0.676 -5.337 225 HD2 PHE 45 HD2 PHE 45 5.638 4.505 -5.175 226 HE1 PHE 45 HE1 PHE 45 1.616 1.740 -5.753 227 HE2 PHE 45 HE2 PHE 45 3.462 5.575 -5.589 228 HZ PHE 45 HZ PHE 45 1.449 4.193 -5.879 229 H TYR 46 HN TYR 46 5.081 0.821 -1.429 230 HA TYR 46 HA TYR 46 6.288 3.178 -0.185 231 1HB TYR 46 HB2 TYR 46 3.372 2.748 -0.656 232 2HB TYR 46 HB1 TYR 46 3.865 3.492 0.860 233 HD1 TYR 46 HD1 TYR 46 4.416 3.833 -2.821 234 HD2 TYR 46 HD2 TYR 46 4.116 5.783 0.946 235 HE1 TYR 46 HE1 TYR 46 4.591 6.015 -3.941 236 HE2 TYR 46 HE2 TYR 46 4.286 7.969 -0.163 237 HH TYR 46 HH TYR 46 5.466 8.614 -2.788 238 H GLY 47 HN GLY 47 3.694 0.900 0.718 239 1HA GLY 47 HA2 GLY 47 4.484 -1.034 2.141 240 2HA GLY 47 HA1 GLY 47 5.290 0.198 3.097 241 HA PRO 48 HA PRO 48 1.660 0.807 5.514 242 1HB PRO 48 HB2 PRO 48 1.657 3.714 5.275 243 2HB PRO 48 HB1 PRO 48 2.091 2.712 6.659 244 1HG PRO 48 HG2 PRO 48 3.911 4.150 5.259 245 2HG PRO 48 HG1 PRO 48 4.306 2.621 6.065 246 1HD PRO 48 HD2 PRO 48 3.727 3.146 3.171 247 2HD PRO 48 HD1 PRO 48 4.970 2.107 3.901 248 H VAL 49 HN VAL 49 0.384 -0.091 3.640 249 HA VAL 49 HA VAL 49 -1.534 -0.147 2.434 250 HB VAL 49 HB VAL 49 -2.138 2.514 3.727 251 1HG1 VAL 49 HG11 VAL 49 -3.583 2.261 1.873 252 2HG1 VAL 49 HG12 VAL 49 -4.518 1.800 3.295 253 3HG1 VAL 49 HG13 VAL 49 -3.861 0.557 2.230 254 1HG2 VAL 49 HG21 VAL 49 -2.202 -0.241 4.723 255 2HG2 VAL 49 HG22 VAL 49 -3.692 0.665 4.988 256 3HG2 VAL 49 HG23 VAL 49 -2.161 1.286 5.605 Start of MODEL 2 1 H LEU 16 HN LEU 16 5.414 -3.245 0.828 2 HA LEU 16 HA LEU 16 4.656 -2.958 -2.007 3 1HB LEU 16 HB2 LEU 16 2.714 -3.379 -0.594 4 2HB LEU 16 HB1 LEU 16 3.161 -2.045 0.452 5 HG LEU 16 HG LEU 16 2.776 -0.468 -1.406 6 1HD1 LEU 16 HD11 LEU 16 3.247 -1.888 -3.292 7 2HD1 LEU 16 HD12 LEU 16 1.597 -1.281 -3.420 8 3HD1 LEU 16 HD13 LEU 16 1.888 -2.937 -2.888 9 1HD2 LEU 16 HD21 LEU 16 0.318 -0.702 -1.473 10 2HD2 LEU 16 HD22 LEU 16 0.981 -0.878 0.152 11 3HD2 LEU 16 HD23 LEU 16 0.476 -2.304 -0.754 12 1HN CGU 17 HN CGU 17 5.315 -1.105 0.971 13 HA CGU 17 HA CGU 17 6.408 0.848 1.339 14 1HB CGU 17 HB1 CGU 17 7.429 1.241 -1.398 15 2HB CGU 17 HB2 CGU 17 7.862 -0.310 -0.674 16 HG CGU 17 HG2 CGU 17 8.716 0.885 1.321 17 HA PRO 18 HA PRO 18 3.055 3.504 -0.028 18 1HB PRO 18 HB2 PRO 18 4.517 5.479 1.635 19 2HB PRO 18 HB1 PRO 18 2.830 4.963 1.721 20 1HG PRO 18 HG2 PRO 18 4.598 4.174 3.555 21 2HG PRO 18 HG1 PRO 18 3.333 3.077 2.970 22 1HD PRO 18 HD2 PRO 18 6.236 3.180 2.249 23 2HD PRO 18 HD1 PRO 18 5.195 1.770 2.533 24 H LYS 19 HN LYS 19 3.762 3.653 -2.198 25 HA LYS 19 HA LYS 19 5.512 5.955 -2.786 26 1HB LYS 19 HB2 LYS 19 5.002 3.483 -4.453 27 2HB LYS 19 HB1 LYS 19 5.996 4.846 -4.945 28 1HG LYS 19 HG2 LYS 19 7.563 4.390 -3.158 29 2HG LYS 19 HG1 LYS 19 6.542 3.074 -2.572 30 1HD LYS 19 HD2 LYS 19 6.853 1.891 -4.694 31 2HD LYS 19 HD1 LYS 19 7.875 3.206 -5.277 32 1HE LYS 19 HE2 LYS 19 9.471 2.768 -3.482 33 2HE LYS 19 HE1 LYS 19 8.443 1.472 -2.875 34 1HZ LYS 19 HZ1 LYS 19 10.252 0.605 -4.211 35 2HZ LYS 19 HZ2 LYS 19 9.760 1.532 -5.537 36 3HZ LYS 19 HZ3 LYS 19 8.768 0.289 -4.960 37 H ARG 20 HN ARG 20 2.398 5.478 -2.490 38 HA ARG 20 HA ARG 20 1.440 6.224 -5.097 39 1HB ARG 20 HB2 ARG 20 0.085 5.872 -2.431 40 2HB ARG 20 HB1 ARG 20 -0.772 6.463 -3.847 41 1HG ARG 20 HG2 ARG 20 -1.176 4.125 -3.653 42 2HG ARG 20 HG1 ARG 20 -0.119 4.383 -5.040 43 1HD ARG 20 HD2 ARG 20 1.820 3.769 -3.663 44 2HD ARG 20 HD1 ARG 20 0.751 3.488 -2.291 45 HE ARG 20 HE ARG 20 1.307 1.686 -4.389 46 1HH1 ARG 20 HH11 ARG 20 -1.321 2.739 -2.322 47 2HH1 ARG 20 HH12 ARG 20 -2.219 1.273 -2.518 48 1HH2 ARG 20 HH21 ARG 20 0.116 -0.235 -4.640 49 2HH2 ARG 20 HH22 ARG 20 -1.404 -0.411 -3.832 50 1HN CGU 21 HN CGU 21 3.136 8.120 -4.779 51 HA CGU 21 HA CGU 21 2.108 10.425 -3.386 52 1HB CGU 21 HB1 CGU 21 4.370 10.160 -5.397 53 2HB CGU 21 HB2 CGU 21 4.001 11.624 -4.479 54 HG CGU 21 HG2 CGU 21 4.730 8.938 -3.280 55 H VAL 22 HN VAL 22 2.274 9.230 -6.694 56 HA VAL 22 HA VAL 22 0.774 11.513 -7.719 57 HB VAL 22 HB VAL 22 1.790 9.074 -9.192 58 1HG1 VAL 22 HG11 VAL 22 0.561 11.657 -10.112 59 2HG1 VAL 22 HG12 VAL 22 0.049 10.007 -10.469 60 3HG1 VAL 22 HG13 VAL 22 1.535 10.642 -11.176 61 1HG2 VAL 22 HG21 VAL 22 3.491 10.767 -10.072 62 2HG2 VAL 22 HG22 VAL 22 3.720 10.165 -8.430 63 3HG2 VAL 22 HG23 VAL 22 3.026 11.765 -8.694 64 H CYS 23 HN CYS 23 0.420 8.058 -7.087 65 HA CYS 23 HA CYS 23 -1.986 7.539 -8.365 66 1HB CYS 23 HB2 CYS 23 -0.596 5.794 -7.337 67 2HB CYS 23 HB1 CYS 23 -1.003 6.404 -5.738 68 1HN CGU 24 HN CGU 24 -1.455 8.755 -5.054 69 HA CGU 24 HA CGU 24 -4.074 8.853 -4.172 70 1HB CGU 24 HB1 CGU 24 -2.701 11.217 -3.267 71 2HB CGU 24 HB2 CGU 24 -1.580 9.852 -3.282 72 HG CGU 24 HG2 CGU 24 -4.310 9.878 -1.967 73 H LEU 25 HN LEU 25 -2.374 11.104 -6.289 74 HA LEU 25 HA LEU 25 -4.254 13.190 -6.269 75 1HB LEU 25 HB2 LEU 25 -1.946 13.344 -7.179 76 2HB LEU 25 HB1 LEU 25 -2.439 12.350 -8.533 77 HG LEU 25 HG LEU 25 -2.307 14.766 -9.069 78 1HD1 LEU 25 HD11 LEU 25 -4.031 12.995 -10.025 79 2HD1 LEU 25 HD12 LEU 25 -4.045 14.685 -10.527 80 3HD1 LEU 25 HD13 LEU 25 -5.189 14.117 -9.311 81 1HD2 LEU 25 HD21 LEU 25 -3.136 15.461 -6.771 82 2HD2 LEU 25 HD22 LEU 25 -4.759 15.115 -7.368 83 3HD2 LEU 25 HD23 LEU 25 -3.777 16.354 -8.151 84 H ASN 26 HN ASN 26 -3.899 10.435 -8.521 85 HA ASN 26 HA ASN 26 -6.491 11.074 -9.700 86 1HB ASN 26 HB2 ASN 26 -5.951 9.304 -11.343 87 2HB ASN 26 HB1 ASN 26 -4.714 10.552 -11.267 88 1HD2 ASN 26 HD21 ASN 26 -5.199 7.321 -11.465 89 2HD2 ASN 26 HD22 ASN 26 -3.696 6.760 -10.825 90 HA PRO 27 HA PRO 27 -8.367 8.264 -6.704 91 1HB PRO 27 HB2 PRO 27 -10.740 8.855 -8.384 92 2HB PRO 27 HB1 PRO 27 -10.534 8.993 -6.634 93 1HG PRO 27 HG2 PRO 27 -10.601 11.167 -8.170 94 2HG PRO 27 HG1 PRO 27 -9.496 11.062 -6.787 95 1HD PRO 27 HD2 PRO 27 -8.919 10.731 -9.705 96 2HD PRO 27 HD1 PRO 27 -7.966 11.552 -8.453 97 H ASP 28 HN ASP 28 -8.340 8.005 -10.180 98 HA ASP 28 HA ASP 28 -9.803 5.722 -10.664 99 1HB ASP 28 HB2 ASP 28 -7.195 6.571 -11.944 100 2HB ASP 28 HB1 ASP 28 -8.261 5.327 -12.585 101 H CYS 29 HN CYS 29 -6.360 5.895 -9.730 102 HA CYS 29 HA CYS 29 -6.111 3.041 -9.563 103 1HB CYS 29 HB2 CYS 29 -3.865 3.488 -8.684 104 2HB CYS 29 HB1 CYS 29 -4.179 4.422 -10.142 105 H ASP 30 HN ASP 30 -6.607 5.670 -7.253 106 HA ASP 30 HA ASP 30 -6.194 4.260 -4.877 107 1HB ASP 30 HB2 ASP 30 -8.120 6.534 -5.399 108 2HB ASP 30 HB1 ASP 30 -7.603 5.986 -3.809 109 H GLU 31 HN GLU 31 -8.951 4.308 -7.038 110 HA GLU 31 HA GLU 31 -10.945 3.332 -5.382 111 1HB GLU 31 HB2 GLU 31 -11.463 4.109 -7.598 112 2HB GLU 31 HB1 GLU 31 -10.475 2.849 -8.322 113 1HG GLU 31 HG2 GLU 31 -12.826 2.324 -8.536 114 2HG GLU 31 HG1 GLU 31 -12.019 1.149 -7.505 115 H LEU 32 HN LEU 32 -8.321 1.566 -6.965 116 HA LEU 32 HA LEU 32 -9.260 -1.034 -6.695 117 1HB LEU 32 HB2 LEU 32 -7.176 -0.384 -7.880 118 2HB LEU 32 HB1 LEU 32 -6.405 -0.121 -6.327 119 HG LEU 32 HG LEU 32 -6.801 -2.538 -5.794 120 1HD1 LEU 32 HD11 LEU 32 -7.565 -2.684 -8.706 121 2HD1 LEU 32 HD12 LEU 32 -8.651 -2.925 -7.338 122 3HD1 LEU 32 HD13 LEU 32 -7.328 -4.056 -7.624 123 1HD2 LEU 32 HD21 LEU 32 -4.623 -1.897 -6.494 124 2HD2 LEU 32 HD22 LEU 32 -5.122 -1.800 -8.182 125 3HD2 LEU 32 HD23 LEU 32 -5.037 -3.366 -7.377 126 H ALA 33 HN ALA 33 -7.171 0.734 -4.388 127 HA ALA 33 HA ALA 33 -7.413 -1.245 -2.352 128 1HB ALA 33 HB1 ALA 33 -5.477 0.067 -2.246 129 2HB ALA 33 HB2 ALA 33 -6.463 0.629 -0.896 130 3HB ALA 33 HB3 ALA 33 -6.383 1.574 -2.383 131 H ASP 34 HN ASP 34 -9.554 1.164 -3.429 132 HA ASP 34 HA ASP 34 -10.808 1.718 -0.905 133 1HB ASP 34 HB2 ASP 34 -10.756 3.393 -2.702 134 2HB ASP 34 HB1 ASP 34 -11.707 2.330 -3.730 135 H HIS 35 HN HIS 35 -11.972 0.073 -3.885 136 HA HIS 35 HA HIS 35 -14.190 -1.036 -2.408 137 1HB HIS 35 HB2 HIS 35 -14.915 -1.993 -4.546 138 2HB HIS 35 HB1 HIS 35 -14.591 -0.272 -4.669 139 HD1 HIS 35 HD1 HIS 35 -14.619 -1.332 -7.291 140 HD2 HIS 35 HD2 HIS 35 -11.234 -1.845 -4.945 141 HE1 HIS 35 HE1 HIS 35 -12.753 -1.821 -8.901 142 HE2 HIS 35 HE2 HIS 35 -10.740 -2.242 -7.449 143 H ILE 36 HN ILE 36 -11.003 -2.118 -3.067 144 HA ILE 36 HA ILE 36 -11.723 -4.726 -1.968 145 HB ILE 36 HB ILE 36 -10.331 -5.957 -3.563 146 1HG1 ILE 36 HG12 ILE 36 -10.211 -3.356 -5.104 147 2HG1 ILE 36 HG11 ILE 36 -8.858 -4.101 -4.261 148 1HG2 ILE 36 HG21 ILE 36 -11.906 -6.036 -5.346 149 2HG2 ILE 36 HG22 ILE 36 -12.443 -4.387 -5.023 150 3HG2 ILE 36 HG23 ILE 36 -12.794 -5.672 -3.866 151 1HD1 ILE 36 HD11 ILE 36 -9.795 -6.094 -5.935 152 2HD1 ILE 36 HD12 ILE 36 -8.368 -5.086 -6.181 153 3HD1 ILE 36 HD13 ILE 36 -9.912 -4.619 -6.895 154 H GLY 37 HN GLY 37 -10.080 -5.785 -0.838 155 1HA GLY 37 HA2 GLY 37 -7.971 -4.005 0.094 156 2HA GLY 37 HA1 GLY 37 -8.444 -5.531 0.820 157 H PHE 38 HN PHE 38 -6.796 -4.142 -1.999 158 HA PHE 38 HA PHE 38 -5.127 -6.567 -2.108 159 1HB PHE 38 HB2 PHE 38 -6.081 -4.781 -4.340 160 2HB PHE 38 HB1 PHE 38 -4.746 -5.908 -4.538 161 HD1 PHE 38 HD1 PHE 38 -8.188 -6.021 -3.077 162 HD2 PHE 38 HD2 PHE 38 -5.297 -7.836 -5.614 163 HE1 PHE 38 HE1 PHE 38 -9.781 -7.820 -3.597 164 HE2 PHE 38 HE2 PHE 38 -6.885 -9.639 -6.142 165 HZ PHE 38 HZ PHE 38 -9.131 -9.633 -5.132 166 H GLN 39 HN GLN 39 -5.125 -3.040 -2.612 167 HA GLN 39 HA GLN 39 -3.487 -1.476 -2.459 168 1HB GLN 39 HB2 GLN 39 -2.285 -3.573 -0.642 169 2HB GLN 39 HB1 GLN 39 -1.595 -1.973 -0.858 170 1HG GLN 39 HG2 GLN 39 -2.898 -2.027 1.156 171 2HG GLN 39 HG1 GLN 39 -3.680 -0.978 -0.024 172 1HE2 GLN 39 HE21 GLN 39 -5.795 -1.185 -0.075 173 2HE2 GLN 39 HE22 GLN 39 -6.690 -2.625 0.249 174 H GLU 40 HN GLU 40 -3.388 -2.541 -4.796 175 HA GLU 40 HA GLU 40 -0.553 -2.708 -5.429 176 1HB GLU 40 HB2 GLU 40 -0.885 -4.709 -6.855 177 2HB GLU 40 HB1 GLU 40 -1.138 -5.041 -5.148 178 1HG GLU 40 HG2 GLU 40 -3.573 -4.863 -5.511 179 2HG GLU 40 HG1 GLU 40 -3.273 -4.639 -7.232 180 H ALA 41 HN ALA 41 -2.385 -0.624 -5.858 181 HA ALA 41 HA ALA 41 -3.276 -0.757 -8.612 182 1HB ALA 41 HB1 ALA 41 -3.421 1.437 -6.554 183 2HB ALA 41 HB2 ALA 41 -4.720 0.358 -7.063 184 3HB ALA 41 HB3 ALA 41 -4.080 1.558 -8.185 185 H TYR 42 HN TYR 42 -0.912 1.111 -6.728 186 HA TYR 42 HA TYR 42 0.073 2.800 -8.658 187 1HB TYR 42 HB2 TYR 42 0.758 3.010 -6.369 188 2HB TYR 42 HB1 TYR 42 1.510 1.421 -6.391 189 HD1 TYR 42 HD1 TYR 42 3.542 1.096 -7.918 190 HD2 TYR 42 HD2 TYR 42 2.004 4.923 -6.878 191 HE1 TYR 42 HE1 TYR 42 5.692 2.117 -8.523 192 HE2 TYR 42 HE2 TYR 42 4.151 5.956 -7.481 193 HH TYR 42 HH TYR 42 6.872 4.583 -7.638 194 H ARG 43 HN ARG 43 1.096 -0.550 -8.039 195 HA ARG 43 HA ARG 43 3.209 -0.657 -9.860 196 1HB ARG 43 HB2 ARG 43 2.979 -3.079 -9.761 197 2HB ARG 43 HB1 ARG 43 2.812 -2.371 -8.162 198 1HG ARG 43 HG2 ARG 43 0.363 -2.567 -8.361 199 2HG ARG 43 HG1 ARG 43 0.579 -3.360 -9.923 200 1HD ARG 43 HD2 ARG 43 0.246 -5.036 -8.229 201 2HD ARG 43 HD1 ARG 43 1.912 -5.115 -8.799 202 HE ARG 43 HE ARG 43 1.848 -3.452 -6.557 203 1HH1 ARG 43 HH11 ARG 43 1.324 -6.824 -7.335 204 2HH1 ARG 43 HH12 ARG 43 1.826 -7.388 -5.777 205 1HH2 ARG 43 HH21 ARG 43 2.505 -4.199 -4.507 206 2HH2 ARG 43 HH22 ARG 43 2.495 -5.898 -4.170 207 H ARG 44 HN ARG 44 -0.245 -1.008 -10.393 208 HA ARG 44 HA ARG 44 -0.226 -2.213 -12.906 209 1HB ARG 44 HB2 ARG 44 -2.206 -0.198 -11.838 210 2HB ARG 44 HB1 ARG 44 -2.474 -1.272 -13.203 211 1HG ARG 44 HG2 ARG 44 -2.238 -3.206 -11.700 212 2HG ARG 44 HG1 ARG 44 -2.048 -2.099 -10.340 213 1HD ARG 44 HD2 ARG 44 -4.460 -2.311 -12.138 214 2HD ARG 44 HD1 ARG 44 -4.338 -2.929 -10.492 215 HE ARG 44 HE ARG 44 -3.765 -0.182 -10.472 216 1HH1 ARG 44 HH11 ARG 44 -6.478 -2.334 -10.991 217 2HH1 ARG 44 HH12 ARG 44 -7.651 -1.180 -10.454 218 1HH2 ARG 44 HH21 ARG 44 -5.312 1.328 -9.767 219 2HH2 ARG 44 HH22 ARG 44 -6.990 0.901 -9.759 220 H PHE 45 HN PHE 45 0.157 1.209 -12.060 221 HA PHE 45 HA PHE 45 0.618 1.736 -14.915 222 1HB PHE 45 HB2 PHE 45 -0.078 4.086 -14.498 223 2HB PHE 45 HB1 PHE 45 -1.358 2.908 -14.265 224 HD1 PHE 45 HD1 PHE 45 -1.485 2.043 -11.696 225 HD2 PHE 45 HD2 PHE 45 0.022 5.800 -13.006 226 HE1 PHE 45 HE1 PHE 45 -1.945 2.996 -9.480 227 HE2 PHE 45 HE2 PHE 45 -0.436 6.758 -10.788 228 HZ PHE 45 HZ PHE 45 -1.420 5.356 -9.024 229 H TYR 46 HN TYR 46 2.469 1.068 -12.501 230 HA TYR 46 HA TYR 46 4.520 2.985 -13.306 231 1HB TYR 46 HB2 TYR 46 3.597 2.534 -10.495 232 2HB TYR 46 HB1 TYR 46 5.298 2.862 -10.793 233 HD1 TYR 46 HD1 TYR 46 1.913 4.241 -11.581 234 HD2 TYR 46 HD2 TYR 46 6.025 5.050 -10.856 235 HE1 TYR 46 HE1 TYR 46 1.449 6.654 -11.651 236 HE2 TYR 46 HE2 TYR 46 5.569 7.463 -10.920 237 HH TYR 46 HH TYR 46 3.281 8.868 -12.234 238 H GLY 47 HN GLY 47 4.372 0.416 -10.824 239 1HA GLY 47 HA2 GLY 47 5.205 -1.829 -11.644 240 2HA GLY 47 HA1 GLY 47 6.572 -0.922 -12.267 241 HA PRO 48 HA PRO 48 8.866 -1.094 -8.509 242 1HB PRO 48 HB2 PRO 48 8.974 1.486 -7.504 243 2HB PRO 48 HB1 PRO 48 10.025 0.842 -8.769 244 1HG PRO 48 HG2 PRO 48 7.559 2.511 -9.019 245 2HG PRO 48 HG1 PRO 48 9.074 2.600 -9.937 246 1HD PRO 48 HD2 PRO 48 6.882 1.468 -10.972 247 2HD PRO 48 HD1 PRO 48 8.499 0.810 -11.298 248 H VAL 49 HN VAL 49 7.706 -2.289 -7.081 249 HA VAL 49 HA VAL 49 6.344 -0.847 -4.950 250 HB VAL 49 HB VAL 49 4.412 -2.397 -4.947 251 1HG1 VAL 49 HG11 VAL 49 4.548 -1.012 -7.608 252 2HG1 VAL 49 HG12 VAL 49 4.441 -0.121 -6.089 253 3HG1 VAL 49 HG13 VAL 49 3.154 -1.235 -6.551 254 1HG2 VAL 49 HG21 VAL 49 4.004 -3.518 -7.258 255 2HG2 VAL 49 HG22 VAL 49 5.035 -4.319 -6.073 256 3HG2 VAL 49 HG23 VAL 49 5.758 -3.427 -7.412 Start of MODEL 3 1 H LEU 16 HN LEU 16 8.011 -3.068 0.965 2 HA LEU 16 HA LEU 16 7.138 -1.477 -1.285 3 1HB LEU 16 HB2 LEU 16 5.521 -2.749 0.046 4 2HB LEU 16 HB1 LEU 16 5.938 -1.805 1.464 5 HG LEU 16 HG LEU 16 5.100 0.231 0.310 6 1HD1 LEU 16 HD11 LEU 16 5.314 -0.264 -1.973 7 2HD1 LEU 16 HD12 LEU 16 3.577 -0.228 -1.671 8 3HD1 LEU 16 HD13 LEU 16 4.415 -1.773 -1.818 9 1HD2 LEU 16 HD21 LEU 16 2.637 -0.631 0.274 10 2HD2 LEU 16 HD22 LEU 16 3.546 -0.596 1.785 11 3HD2 LEU 16 HD23 LEU 16 3.355 -2.113 0.907 12 1HN CGU 17 HN CGU 17 7.785 -0.744 2.157 13 HA CGU 17 HA CGU 17 8.682 1.078 3.183 14 1HB CGU 17 HB1 CGU 17 9.827 2.845 1.759 15 2HB CGU 17 HB2 CGU 17 9.415 1.864 0.352 16 HG CGU 17 HG2 CGU 17 10.617 -0.051 1.365 17 HA PRO 18 HA PRO 18 5.263 3.873 3.235 18 1HB PRO 18 HB2 PRO 18 6.276 5.892 4.725 19 2HB PRO 18 HB1 PRO 18 5.861 4.319 5.415 20 1HG PRO 18 HG2 PRO 18 8.537 5.386 4.603 21 2HG PRO 18 HG1 PRO 18 8.093 4.459 6.048 22 1HD PRO 18 HD2 PRO 18 9.276 3.340 3.870 23 2HD PRO 18 HD1 PRO 18 8.171 2.450 4.935 24 H LYS 19 HN LYS 19 4.870 4.670 1.222 25 HA LYS 19 HA LYS 19 5.931 7.283 0.588 26 1HB LYS 19 HB2 LYS 19 6.498 6.452 -1.798 27 2HB LYS 19 HB1 LYS 19 7.657 6.175 -0.508 28 1HG LYS 19 HG2 LYS 19 7.394 4.228 -1.976 29 2HG LYS 19 HG1 LYS 19 6.953 3.875 -0.307 30 1HD LYS 19 HD2 LYS 19 4.579 4.149 -0.895 31 2HD LYS 19 HD1 LYS 19 5.041 4.462 -2.568 32 1HE LYS 19 HE2 LYS 19 5.577 1.921 -1.035 33 2HE LYS 19 HE1 LYS 19 4.308 2.147 -2.236 34 1HZ LYS 19 HZ1 LYS 19 5.891 1.257 -3.555 35 2HZ LYS 19 HZ2 LYS 19 7.179 1.806 -2.609 36 3HZ LYS 19 HZ3 LYS 19 6.399 2.866 -3.672 37 H ARG 20 HN ARG 20 3.355 6.620 1.279 38 HA ARG 20 HA ARG 20 1.811 6.389 -1.181 39 1HB ARG 20 HB2 ARG 20 0.975 6.522 1.716 40 2HB ARG 20 HB1 ARG 20 -0.157 6.421 0.375 41 1HG ARG 20 HG2 ARG 20 0.776 4.273 -0.274 42 2HG ARG 20 HG1 ARG 20 1.946 4.374 1.044 43 1HD ARG 20 HD2 ARG 20 0.088 4.435 2.658 44 2HD ARG 20 HD1 ARG 20 -1.057 4.283 1.327 45 HE ARG 20 HE ARG 20 -0.689 2.044 1.371 46 1HH1 ARG 20 HH11 ARG 20 2.120 3.590 2.790 47 2HH1 ARG 20 HH12 ARG 20 2.908 2.094 3.153 48 1HH2 ARG 20 HH21 ARG 20 0.349 0.082 1.871 49 2HH2 ARG 20 HH22 ARG 20 1.898 0.103 2.643 50 1HN CGU 21 HN CGU 21 3.389 8.771 -0.911 51 HA CGU 21 HA CGU 21 1.897 10.984 -0.010 52 1HB CGU 21 HB1 CGU 21 4.095 10.753 -2.081 53 2HB CGU 21 HB2 CGU 21 3.402 12.298 -1.581 54 HG CGU 21 HG2 CGU 21 4.709 10.283 0.266 55 H VAL 22 HN VAL 22 2.130 9.383 -3.152 56 HA VAL 22 HA VAL 22 0.047 11.113 -4.262 57 HB VAL 22 HB VAL 22 1.560 8.882 -5.632 58 1HG1 VAL 22 HG11 VAL 22 0.807 9.931 -7.694 59 2HG1 VAL 22 HG12 VAL 22 -0.049 11.165 -6.770 60 3HG1 VAL 22 HG13 VAL 22 -0.569 9.482 -6.685 61 1HG2 VAL 22 HG21 VAL 22 3.173 10.511 -4.955 62 2HG2 VAL 22 HG22 VAL 22 2.148 11.836 -5.509 63 3HG2 VAL 22 HG23 VAL 22 2.874 10.733 -6.679 64 H CYS 23 HN CYS 23 0.680 7.745 -3.403 65 HA CYS 23 HA CYS 23 -1.514 6.455 -4.438 66 1HB CYS 23 HB2 CYS 23 0.333 5.323 -3.270 67 2HB CYS 23 HB1 CYS 23 -0.243 5.965 -1.737 68 1HN CGU 24 HN CGU 24 -1.331 8.271 -1.383 69 HA CGU 24 HA CGU 24 -3.790 7.702 -0.285 70 1HB CGU 24 HB1 CGU 24 -3.463 10.445 0.186 71 2HB CGU 24 HB2 CGU 24 -1.823 9.830 -0.026 72 HG CGU 24 HG2 CGU 24 -2.511 9.705 2.328 73 H LEU 25 HN LEU 25 -3.055 10.062 -2.829 74 HA LEU 25 HA LEU 25 -5.622 11.214 -2.985 75 1HB LEU 25 HB2 LEU 25 -3.558 12.212 -3.927 76 2HB LEU 25 HB1 LEU 25 -3.539 10.968 -5.159 77 HG LEU 25 HG LEU 25 -4.396 13.152 -5.961 78 1HD1 LEU 25 HD11 LEU 25 -5.155 10.776 -6.763 79 2HD1 LEU 25 HD12 LEU 25 -5.949 12.231 -7.367 80 3HD1 LEU 25 HD13 LEU 25 -6.706 11.279 -6.090 81 1HD2 LEU 25 HD21 LEU 25 -6.853 12.628 -4.318 82 2HD2 LEU 25 HD22 LEU 25 -6.412 14.083 -5.213 83 3HD2 LEU 25 HD23 LEU 25 -5.540 13.654 -3.741 84 H ASN 26 HN ASN 26 -4.114 8.824 -5.194 85 HA ASN 26 HA ASN 26 -6.658 8.239 -6.403 86 1HB ASN 26 HB2 ASN 26 -5.378 6.541 -7.707 87 2HB ASN 26 HB1 ASN 26 -4.717 8.167 -7.821 88 1HD2 ASN 26 HD21 ASN 26 -3.930 5.008 -7.450 89 2HD2 ASN 26 HD22 ASN 26 -2.389 5.182 -6.693 90 HA PRO 27 HA PRO 27 -7.783 5.237 -3.275 91 1HB PRO 27 HB2 PRO 27 -10.080 4.416 -4.507 92 2HB PRO 27 HB1 PRO 27 -9.954 5.889 -3.540 93 1HG PRO 27 HG2 PRO 27 -9.845 5.559 -6.513 94 2HG PRO 27 HG1 PRO 27 -10.689 6.789 -5.552 95 1HD PRO 27 HD2 PRO 27 -8.342 7.293 -6.768 96 2HD PRO 27 HD1 PRO 27 -8.762 8.017 -5.202 97 H ASP 28 HN ASP 28 -6.915 4.612 -6.533 98 HA ASP 28 HA ASP 28 -7.548 1.963 -6.945 99 1HB ASP 28 HB2 ASP 28 -4.974 3.366 -7.697 100 2HB ASP 28 HB1 ASP 28 -5.532 1.843 -8.377 101 H CYS 29 HN CYS 29 -4.761 3.269 -5.160 102 HA CYS 29 HA CYS 29 -4.178 0.555 -4.185 103 1HB CYS 29 HB2 CYS 29 -1.943 1.495 -3.556 104 2HB CYS 29 HB1 CYS 29 -2.270 1.497 -5.284 105 H ASP 30 HN ASP 30 -4.709 3.898 -3.133 106 HA ASP 30 HA ASP 30 -4.265 3.447 -0.376 107 1HB ASP 30 HB2 ASP 30 -4.216 5.691 -1.311 108 2HB ASP 30 HB1 ASP 30 -5.911 5.571 -1.768 109 H GLU 31 HN GLU 31 -7.272 3.573 -2.283 110 HA GLU 31 HA GLU 31 -8.872 2.777 -0.018 111 1HB GLU 31 HB2 GLU 31 -9.668 4.355 -1.790 112 2HB GLU 31 HB1 GLU 31 -9.692 3.007 -2.914 113 1HG GLU 31 HG2 GLU 31 -11.359 1.878 -1.530 114 2HG GLU 31 HG1 GLU 31 -11.332 3.230 -0.400 115 H LEU 32 HN LEU 32 -6.778 1.013 -1.748 116 HA LEU 32 HA LEU 32 -8.200 -1.200 -2.698 117 1HB LEU 32 HB2 LEU 32 -5.788 -0.701 -3.128 118 2HB LEU 32 HB1 LEU 32 -5.433 -1.214 -1.490 119 HG LEU 32 HG LEU 32 -6.234 -3.477 -2.020 120 1HD1 LEU 32 HD11 LEU 32 -7.873 -2.993 -3.707 121 2HD1 LEU 32 HD12 LEU 32 -6.648 -4.058 -4.396 122 3HD1 LEU 32 HD13 LEU 32 -6.637 -2.337 -4.780 123 1HD2 LEU 32 HD21 LEU 32 -3.881 -2.230 -2.947 124 2HD2 LEU 32 HD22 LEU 32 -4.411 -3.335 -4.215 125 3HD2 LEU 32 HD23 LEU 32 -4.137 -3.936 -2.581 126 H ALA 33 HN ALA 33 -7.377 -0.241 0.549 127 HA ALA 33 HA ALA 33 -7.534 -2.682 1.897 128 1HB ALA 33 HB1 ALA 33 -8.349 0.042 2.891 129 2HB ALA 33 HB2 ALA 33 -6.721 -0.634 2.940 130 3HB ALA 33 HB3 ALA 33 -8.010 -1.368 3.894 131 H ASP 34 HN ASP 34 -10.019 -0.882 0.355 132 HA ASP 34 HA ASP 34 -12.300 -1.356 1.768 133 1HB ASP 34 HB2 ASP 34 -12.105 -0.121 -0.405 134 2HB ASP 34 HB1 ASP 34 -12.052 -1.671 -1.231 135 H HIS 35 HN HIS 35 -10.699 -3.667 -0.450 136 HA HIS 35 HA HIS 35 -12.353 -5.767 0.780 137 1HB HIS 35 HB2 HIS 35 -12.398 -6.974 -1.348 138 2HB HIS 35 HB1 HIS 35 -13.141 -5.388 -1.479 139 HD1 HIS 35 HD1 HIS 35 -12.499 -6.404 -4.084 140 HD2 HIS 35 HD2 HIS 35 -9.552 -4.587 -1.792 141 HE1 HIS 35 HE1 HIS 35 -10.725 -5.689 -5.713 142 HE2 HIS 35 HE2 HIS 35 -8.892 -4.721 -4.285 143 H ILE 36 HN ILE 36 -9.114 -4.799 0.044 144 HA ILE 36 HA ILE 36 -8.211 -7.362 1.122 145 HB ILE 36 HB ILE 36 -6.386 -7.566 -0.507 146 1HG1 ILE 36 HG12 ILE 36 -7.787 -5.291 -1.929 147 2HG1 ILE 36 HG11 ILE 36 -6.166 -5.261 -1.247 148 1HG2 ILE 36 HG21 ILE 36 -9.043 -7.476 -1.913 149 2HG2 ILE 36 HG22 ILE 36 -8.592 -8.725 -0.752 150 3HG2 ILE 36 HG23 ILE 36 -7.675 -8.538 -2.247 151 1HD1 ILE 36 HD11 ILE 36 -5.955 -7.347 -2.945 152 2HD1 ILE 36 HD12 ILE 36 -5.543 -5.681 -3.348 153 3HD1 ILE 36 HD13 ILE 36 -7.119 -6.333 -3.797 154 H GLY 37 HN GLY 37 -6.972 -4.175 0.014 155 1HA GLY 37 HA2 GLY 37 -5.665 -2.652 1.149 156 2HA GLY 37 HA1 GLY 37 -5.856 -3.632 2.593 157 H PHE 38 HN PHE 38 -4.272 -3.963 -0.594 158 HA PHE 38 HA PHE 38 -1.827 -4.793 0.820 159 1HB PHE 38 HB2 PHE 38 -2.995 -5.951 -1.714 160 2HB PHE 38 HB1 PHE 38 -1.348 -6.256 -1.184 161 HD1 PHE 38 HD1 PHE 38 -4.814 -6.412 0.195 162 HD2 PHE 38 HD2 PHE 38 -0.963 -8.195 -0.051 163 HE1 PHE 38 HE1 PHE 38 -5.609 -8.301 1.553 164 HE2 PHE 38 HE2 PHE 38 -1.747 -10.090 1.308 165 HZ PHE 38 HZ PHE 38 -4.075 -10.145 2.112 166 H GLN 39 HN GLN 39 0.061 -4.806 -0.914 167 HA GLN 39 HA GLN 39 0.025 -2.151 -2.172 168 1HB GLN 39 HB2 GLN 39 2.564 -2.414 -2.109 169 2HB GLN 39 HB1 GLN 39 1.742 -2.147 -0.583 170 1HG GLN 39 HG2 GLN 39 3.384 -3.783 -0.187 171 2HG GLN 39 HG1 GLN 39 1.839 -4.624 -0.205 172 1HE2 GLN 39 HE21 GLN 39 4.967 -4.645 -1.315 173 2HE2 GLN 39 HE22 GLN 39 4.792 -5.780 -2.605 174 H GLU 40 HN GLU 40 -0.762 -4.991 -3.175 175 HA GLU 40 HA GLU 40 1.015 -5.553 -5.328 176 1HB GLU 40 HB2 GLU 40 -0.737 -7.114 -6.077 177 2HB GLU 40 HB1 GLU 40 -0.367 -7.310 -4.370 178 1HG GLU 40 HG2 GLU 40 -2.366 -5.981 -3.811 179 2HG GLU 40 HG1 GLU 40 -2.748 -5.876 -5.528 180 H ALA 41 HN ALA 41 -1.792 -3.509 -4.931 181 HA ALA 41 HA ALA 41 -2.253 -3.145 -7.744 182 1HB ALA 41 HB1 ALA 41 -4.098 -2.933 -6.187 183 2HB ALA 41 HB2 ALA 41 -3.838 -1.403 -7.025 184 3HB ALA 41 HB3 ALA 41 -3.282 -1.604 -5.363 185 H TYR 42 HN TYR 42 -0.941 -1.089 -5.142 186 HA TYR 42 HA TYR 42 -0.337 1.207 -6.458 187 1HB TYR 42 HB2 TYR 42 0.079 0.917 -4.085 188 2HB TYR 42 HB1 TYR 42 1.368 -0.232 -4.416 189 HD1 TYR 42 HD1 TYR 42 3.362 0.710 -5.858 190 HD2 TYR 42 HD2 TYR 42 0.618 3.132 -3.690 191 HE1 TYR 42 HE1 TYR 42 4.997 2.543 -5.850 192 HE2 TYR 42 HE2 TYR 42 2.245 4.975 -3.678 193 HH TYR 42 HH TYR 42 4.210 5.715 -5.020 194 H ARG 43 HN ARG 43 1.779 -1.666 -6.369 195 HA ARG 43 HA ARG 43 3.863 -0.638 -7.907 196 1HB ARG 43 HB2 ARG 43 4.487 -2.984 -8.332 197 2HB ARG 43 HB1 ARG 43 4.111 -2.684 -6.642 198 1HG ARG 43 HG2 ARG 43 1.883 -3.654 -6.982 199 2HG ARG 43 HG1 ARG 43 2.305 -3.998 -8.660 200 1HD ARG 43 HD2 ARG 43 4.136 -5.434 -7.897 201 2HD ARG 43 HD1 ARG 43 3.707 -5.090 -6.222 202 HE ARG 43 HE ARG 43 1.452 -6.106 -7.553 203 1HH1 ARG 43 HH11 ARG 43 4.584 -7.173 -6.407 204 2HH1 ARG 43 HH12 ARG 43 4.076 -8.812 -6.177 205 1HH2 ARG 43 HH21 ARG 43 0.790 -8.263 -7.247 206 2HH2 ARG 43 HH22 ARG 43 1.922 -9.431 -6.654 207 H ARG 44 HN ARG 44 0.793 -1.970 -8.931 208 HA ARG 44 HA ARG 44 1.413 -2.501 -11.621 209 1HB ARG 44 HB2 ARG 44 -1.261 -1.639 -10.510 210 2HB ARG 44 HB1 ARG 44 -0.979 -2.509 -12.011 211 1HG ARG 44 HG2 ARG 44 -0.184 -4.436 -10.782 212 2HG ARG 44 HG1 ARG 44 -0.362 -3.563 -9.262 213 1HD ARG 44 HD2 ARG 44 -2.799 -3.322 -9.787 214 2HD ARG 44 HD1 ARG 44 -2.547 -4.406 -11.155 215 HE ARG 44 HE ARG 44 -2.864 -5.153 -8.448 216 1HH1 ARG 44 HH11 ARG 44 -1.090 -6.048 -11.336 217 2HH1 ARG 44 HH12 ARG 44 -0.829 -7.677 -10.814 218 1HH2 ARG 44 HH21 ARG 44 -2.516 -7.297 -7.773 219 2HH2 ARG 44 HH22 ARG 44 -1.639 -8.387 -8.794 220 H PHE 45 HN PHE 45 0.170 0.454 -10.069 221 HA PHE 45 HA PHE 45 0.533 1.846 -12.631 222 1HB PHE 45 HB2 PHE 45 -0.878 3.663 -11.291 223 2HB PHE 45 HB1 PHE 45 -1.633 2.350 -12.181 224 HD1 PHE 45 HD1 PHE 45 -2.278 0.253 -10.869 225 HD2 PHE 45 HD2 PHE 45 -1.296 3.957 -9.027 226 HE1 PHE 45 HE1 PHE 45 -3.435 -0.464 -8.822 227 HE2 PHE 45 HE2 PHE 45 -2.447 3.244 -6.973 228 HZ PHE 45 HZ PHE 45 -3.522 1.033 -6.871 229 H TYR 46 HN TYR 46 2.602 1.270 -10.472 230 HA TYR 46 HA TYR 46 3.690 3.985 -10.437 231 1HB TYR 46 HB2 TYR 46 3.361 2.232 -8.011 232 2HB TYR 46 HB1 TYR 46 4.615 3.461 -8.089 233 HD1 TYR 46 HD1 TYR 46 0.917 3.040 -8.409 234 HD2 TYR 46 HD2 TYR 46 4.145 5.633 -7.436 235 HE1 TYR 46 HE1 TYR 46 -0.681 4.730 -7.618 236 HE2 TYR 46 HE2 TYR 46 2.553 7.329 -6.645 237 HH TYR 46 HH TYR 46 -0.534 7.442 -7.389 238 H GLY 47 HN GLY 47 4.535 0.727 -9.242 239 1HA GLY 47 HA2 GLY 47 6.391 -0.010 -11.112 240 2HA GLY 47 HA1 GLY 47 7.283 1.020 -10.002 241 HA PRO 48 HA PRO 48 6.758 -3.687 -8.713 242 1HB PRO 48 HB2 PRO 48 9.717 -3.393 -9.037 243 2HB PRO 48 HB1 PRO 48 8.688 -4.802 -9.322 244 1HG PRO 48 HG2 PRO 48 9.582 -3.354 -11.363 245 2HG PRO 48 HG1 PRO 48 7.932 -4.003 -11.366 246 1HD PRO 48 HD2 PRO 48 8.872 -1.213 -10.915 247 2HD PRO 48 HD1 PRO 48 7.375 -1.794 -11.670 248 H VAL 49 HN VAL 49 6.174 -3.189 -6.651 249 HA VAL 49 HA VAL 49 8.340 -2.524 -4.785 250 HB VAL 49 HB VAL 49 6.827 -1.044 -3.499 251 1HG1 VAL 49 HG11 VAL 49 8.274 0.233 -4.725 252 2HG1 VAL 49 HG12 VAL 49 6.737 0.787 -5.390 253 3HG1 VAL 49 HG13 VAL 49 7.702 -0.398 -6.269 254 1HG2 VAL 49 HG21 VAL 49 4.706 -2.006 -4.412 255 2HG2 VAL 49 HG22 VAL 49 5.018 -1.131 -5.910 256 3HG2 VAL 49 HG23 VAL 49 4.762 -0.243 -4.408 Start of MODEL 4 1 H LEU 16 HN LEU 16 -1.787 1.573 4.998 2 HA LEU 16 HA LEU 16 0.920 1.860 6.100 3 1HB LEU 16 HB2 LEU 16 1.821 1.756 3.770 4 2HB LEU 16 HB1 LEU 16 1.215 0.238 4.397 5 HG LEU 16 HG LEU 16 -0.854 0.531 3.079 6 1HD1 LEU 16 HD11 LEU 16 -0.749 2.269 1.235 7 2HD1 LEU 16 HD12 LEU 16 0.516 3.049 2.183 8 3HD1 LEU 16 HD13 LEU 16 -1.101 2.859 2.860 9 1HD2 LEU 16 HD21 LEU 16 0.055 -0.205 1.080 10 2HD2 LEU 16 HD22 LEU 16 1.333 -0.559 2.242 11 3HD2 LEU 16 HD23 LEU 16 1.453 0.861 1.205 12 1HN CGU 17 HN CGU 17 -1.531 3.593 6.001 13 HA CGU 17 HA CGU 17 -1.994 5.805 5.820 14 1HB CGU 17 HB1 CGU 17 0.153 7.206 4.928 15 2HB CGU 17 HB2 CGU 17 0.959 5.762 5.548 16 HG CGU 17 HG2 CGU 17 -1.003 7.478 7.091 17 HA PRO 18 HA PRO 18 -3.106 5.207 1.435 18 1HB PRO 18 HB2 PRO 18 -5.120 7.221 2.294 19 2HB PRO 18 HB1 PRO 18 -5.345 5.704 1.416 20 1HG PRO 18 HG2 PRO 18 -6.018 5.899 3.984 21 2HG PRO 18 HG1 PRO 18 -5.270 4.422 3.348 22 1HD PRO 18 HD2 PRO 18 -4.055 6.616 4.976 23 2HD PRO 18 HD1 PRO 18 -3.778 4.864 5.056 24 H LYS 19 HN LYS 19 -1.332 6.242 0.518 25 HA LYS 19 HA LYS 19 -1.487 9.176 0.325 26 1HB LYS 19 HB2 LYS 19 0.573 8.275 1.376 27 2HB LYS 19 HB1 LYS 19 0.917 7.389 -0.103 28 1HG LYS 19 HG2 LYS 19 1.070 9.522 -1.321 29 2HG LYS 19 HG1 LYS 19 0.784 10.385 0.190 30 1HD LYS 19 HD2 LYS 19 3.094 8.518 -0.348 31 2HD LYS 19 HD1 LYS 19 3.175 10.280 -0.393 32 1HE LYS 19 HE2 LYS 19 2.537 10.364 1.972 33 2HE LYS 19 HE1 LYS 19 2.460 8.603 2.013 34 1HZ LYS 19 HZ1 LYS 19 4.550 9.425 2.904 35 2HZ LYS 19 HZ2 LYS 19 4.894 10.211 1.446 36 3HZ LYS 19 HZ3 LYS 19 4.818 8.522 1.498 37 H ARG 20 HN ARG 20 -3.195 8.577 -1.337 38 HA ARG 20 HA ARG 20 -2.129 7.667 -3.890 39 1HB ARG 20 HB2 ARG 20 -4.845 8.098 -2.764 40 2HB ARG 20 HB1 ARG 20 -4.661 8.275 -4.501 41 1HG ARG 20 HG2 ARG 20 -5.367 6.043 -4.008 42 2HG ARG 20 HG1 ARG 20 -3.709 6.003 -4.602 43 1HD ARG 20 HD2 ARG 20 -4.316 6.053 -1.664 44 2HD ARG 20 HD1 ARG 20 -4.328 4.545 -2.574 45 HE ARG 20 HE ARG 20 -1.918 5.932 -3.051 46 1HH1 ARG 20 HH11 ARG 20 -3.549 4.102 -0.554 47 2HH1 ARG 20 HH12 ARG 20 -2.078 3.578 0.193 48 1HH2 ARG 20 HH21 ARG 20 0.016 5.247 -2.057 49 2HH2 ARG 20 HH22 ARG 20 -0.057 4.230 -0.658 50 1HN CGU 21 HN CGU 21 -1.595 10.421 -2.528 51 HA CGU 21 HA CGU 21 -2.750 12.438 -4.090 52 1HB CGU 21 HB1 CGU 21 -0.113 12.321 -2.610 53 2HB CGU 21 HB2 CGU 21 -0.704 13.782 -3.406 54 HG CGU 21 HG2 CGU 21 -2.174 12.241 -1.250 55 H VAL 22 HN VAL 22 0.170 10.499 -4.580 56 HA VAL 22 HA VAL 22 0.880 11.881 -7.017 57 HB VAL 22 HB VAL 22 1.986 9.259 -6.000 58 1HG1 VAL 22 HG11 VAL 22 3.222 11.323 -7.817 59 2HG1 VAL 22 HG12 VAL 22 2.448 9.837 -8.365 60 3HG1 VAL 22 HG13 VAL 22 3.901 9.758 -7.370 61 1HG2 VAL 22 HG21 VAL 22 2.775 12.088 -5.338 62 2HG2 VAL 22 HG22 VAL 22 3.853 10.711 -5.106 63 3HG2 VAL 22 HG23 VAL 22 2.326 10.793 -4.228 64 H CYS 23 HN CYS 23 -0.455 8.706 -6.131 65 HA CYS 23 HA CYS 23 -0.607 7.575 -8.671 66 1HB CYS 23 HB2 CYS 23 -0.988 6.317 -6.595 67 2HB CYS 23 HB1 CYS 23 -2.505 7.174 -6.349 68 1HN CGU 24 HN CGU 24 -2.650 9.993 -7.176 69 HA CGU 24 HA CGU 24 -4.948 9.778 -8.740 70 1HB CGU 24 HB1 CGU 24 -4.898 12.432 -8.337 71 2HB CGU 24 HB2 CGU 24 -3.654 11.960 -7.175 72 HG CGU 24 HG2 CGU 24 -5.234 10.337 -6.175 73 H LEU 25 HN LEU 25 -1.866 11.366 -9.422 74 HA LEU 25 HA LEU 25 -2.713 12.624 -11.835 75 1HB LEU 25 HB2 LEU 25 0.025 11.958 -10.761 76 2HB LEU 25 HB1 LEU 25 -0.227 12.809 -12.272 77 HG LEU 25 HG LEU 25 0.302 14.399 -10.546 78 1HD1 LEU 25 HD11 LEU 25 -1.463 15.927 -10.838 79 2HD1 LEU 25 HD12 LEU 25 -2.655 14.640 -11.013 80 3HD1 LEU 25 HD13 LEU 25 -1.462 14.915 -12.282 81 1HD2 LEU 25 HD21 LEU 25 -0.563 12.886 -8.686 82 2HD2 LEU 25 HD22 LEU 25 -2.150 13.578 -9.022 83 3HD2 LEU 25 HD23 LEU 25 -0.825 14.620 -8.504 84 H ASN 26 HN ASN 26 -1.245 9.517 -11.053 85 HA ASN 26 HA ASN 26 -1.520 8.733 -13.880 86 1HB ASN 26 HB2 ASN 26 0.229 7.002 -13.390 87 2HB ASN 26 HB1 ASN 26 0.809 8.659 -13.290 88 1HD2 ASN 26 HD21 ASN 26 0.893 5.723 -11.823 89 2HD2 ASN 26 HD22 ASN 26 1.323 6.214 -10.224 90 HA PRO 27 HA PRO 27 -4.892 6.540 -11.573 91 1HB PRO 27 HB2 PRO 27 -5.660 6.232 -14.441 92 2HB PRO 27 HB1 PRO 27 -6.663 6.635 -13.043 93 1HG PRO 27 HG2 PRO 27 -5.940 8.525 -14.760 94 2HG PRO 27 HG1 PRO 27 -5.965 8.852 -13.016 95 1HD PRO 27 HD2 PRO 27 -3.639 8.355 -14.820 96 2HD PRO 27 HD1 PRO 27 -3.780 9.447 -13.428 97 H ASP 28 HN ASP 28 -3.898 4.726 -10.869 98 HA ASP 28 HA ASP 28 -3.856 2.439 -12.676 99 1HB ASP 28 HB2 ASP 28 -1.444 3.315 -11.071 100 2HB ASP 28 HB1 ASP 28 -1.599 1.742 -11.844 101 H CYS 29 HN CYS 29 -3.061 3.498 -9.368 102 HA CYS 29 HA CYS 29 -3.722 1.028 -8.138 103 1HB CYS 29 HB2 CYS 29 -3.500 2.204 -6.032 104 2HB CYS 29 HB1 CYS 29 -2.213 2.719 -7.114 105 H ASP 30 HN ASP 30 -5.547 3.933 -8.900 106 HA ASP 30 HA ASP 30 -7.802 3.498 -7.291 107 1HB ASP 30 HB2 ASP 30 -7.369 5.625 -8.440 108 2HB ASP 30 HB1 ASP 30 -7.634 4.847 -9.997 109 H GLU 31 HN GLU 31 -6.907 2.202 -10.439 110 HA GLU 31 HA GLU 31 -9.368 1.134 -11.219 111 1HB GLU 31 HB2 GLU 31 -7.450 1.300 -12.727 112 2HB GLU 31 HB1 GLU 31 -6.584 0.101 -11.780 113 1HG GLU 31 HG2 GLU 31 -7.448 -0.921 -13.769 114 2HG GLU 31 HG1 GLU 31 -8.296 -1.568 -12.368 115 H LEU 32 HN LEU 32 -7.046 0.000 -8.863 116 HA LEU 32 HA LEU 32 -7.780 -2.695 -8.695 117 1HB LEU 32 HB2 LEU 32 -5.809 -1.615 -7.586 118 2HB LEU 32 HB1 LEU 32 -6.911 -0.933 -6.405 119 HG LEU 32 HG LEU 32 -7.584 -3.272 -5.793 120 1HD1 LEU 32 HD11 LEU 32 -5.411 -3.890 -7.760 121 2HD1 LEU 32 HD12 LEU 32 -7.024 -4.588 -7.626 122 3HD1 LEU 32 HD13 LEU 32 -5.787 -4.993 -6.437 123 1HD2 LEU 32 HD21 LEU 32 -4.673 -3.195 -5.340 124 2HD2 LEU 32 HD22 LEU 32 -6.002 -3.329 -4.189 125 3HD2 LEU 32 HD23 LEU 32 -5.570 -1.755 -4.857 126 H ALA 33 HN ALA 33 -9.230 0.188 -7.261 127 HA ALA 33 HA ALA 33 -10.963 -1.031 -5.434 128 1HB ALA 33 HB1 ALA 33 -12.202 1.034 -5.442 129 2HB ALA 33 HB2 ALA 33 -11.461 1.510 -6.970 130 3HB ALA 33 HB3 ALA 33 -10.476 1.386 -5.513 131 H ASP 34 HN ASP 34 -11.079 -0.995 -8.866 132 HA ASP 34 HA ASP 34 -13.767 -1.104 -9.458 133 1HB ASP 34 HB2 ASP 34 -11.853 -1.064 -11.083 134 2HB ASP 34 HB1 ASP 34 -11.621 -2.779 -10.774 135 H HIS 35 HN HIS 35 -11.662 -3.789 -8.377 136 HA HIS 35 HA HIS 35 -14.122 -5.353 -7.969 137 1HB HIS 35 HB2 HIS 35 -12.882 -7.405 -8.472 138 2HB HIS 35 HB1 HIS 35 -12.900 -6.293 -9.831 139 HD1 HIS 35 HD1 HIS 35 -10.825 -8.210 -10.216 140 HD2 HIS 35 HD2 HIS 35 -10.168 -4.967 -7.709 141 HE1 HIS 35 HE1 HIS 35 -8.328 -7.971 -10.064 142 HE2 HIS 35 HE2 HIS 35 -7.958 -6.084 -8.441 143 H ILE 36 HN ILE 36 -11.296 -4.137 -6.391 144 HA ILE 36 HA ILE 36 -12.115 -5.631 -4.014 145 HB ILE 36 HB ILE 36 -9.801 -6.123 -3.356 146 1HG1 ILE 36 HG12 ILE 36 -9.105 -5.169 -6.143 147 2HG1 ILE 36 HG11 ILE 36 -8.594 -4.435 -4.628 148 1HG2 ILE 36 HG21 ILE 36 -10.404 -7.314 -6.049 149 2HG2 ILE 36 HG22 ILE 36 -11.274 -7.741 -4.576 150 3HG2 ILE 36 HG23 ILE 36 -9.544 -8.058 -4.701 151 1HD1 ILE 36 HD11 ILE 36 -6.751 -5.642 -4.815 152 2HD1 ILE 36 HD12 ILE 36 -7.441 -6.635 -6.099 153 3HD1 ILE 36 HD13 ILE 36 -7.737 -7.047 -4.410 154 H GLY 37 HN GLY 37 -9.773 -3.118 -5.073 155 1HA GLY 37 HA2 GLY 37 -9.330 -1.045 -4.202 156 2HA GLY 37 HA1 GLY 37 -10.893 -1.133 -3.409 157 H PHE 38 HN PHE 38 -7.562 -2.369 -3.112 158 HA PHE 38 HA PHE 38 -7.820 -2.075 -0.189 159 1HB PHE 38 HB2 PHE 38 -6.384 -4.213 -1.762 160 2HB PHE 38 HB1 PHE 38 -6.065 -3.916 -0.059 161 HD1 PHE 38 HD1 PHE 38 -9.042 -4.388 -2.270 162 HD2 PHE 38 HD2 PHE 38 -7.115 -5.305 1.408 163 HE1 PHE 38 HE1 PHE 38 -10.915 -5.859 -1.661 164 HE2 PHE 38 HE2 PHE 38 -8.985 -6.781 2.026 165 HZ PHE 38 HZ PHE 38 -10.889 -7.060 0.489 166 H GLN 39 HN GLN 39 -6.687 -0.363 -2.513 167 HA GLN 39 HA GLN 39 -4.854 0.882 -3.035 168 1HB GLN 39 HB2 GLN 39 -4.008 2.209 -1.171 169 2HB GLN 39 HB1 GLN 39 -5.756 2.063 -1.103 170 1HG GLN 39 HG2 GLN 39 -5.577 0.394 0.643 171 2HG GLN 39 HG1 GLN 39 -3.818 0.450 0.540 172 1HE2 GLN 39 HE21 GLN 39 -2.874 1.643 2.028 173 2HE2 GLN 39 HE22 GLN 39 -3.564 3.005 2.835 174 H GLU 40 HN GLU 40 -4.243 -1.898 -2.946 175 HA GLU 40 HA GLU 40 -1.532 -1.985 -1.835 176 1HB GLU 40 HB2 GLU 40 -1.649 -4.415 -2.274 177 2HB GLU 40 HB1 GLU 40 -2.940 -3.860 -1.219 178 1HG GLU 40 HG2 GLU 40 -4.488 -3.876 -3.118 179 2HG GLU 40 HG1 GLU 40 -3.192 -4.460 -4.160 180 H ALA 41 HN ALA 41 -3.284 -1.843 -4.828 181 HA ALA 41 HA ALA 41 -1.355 -2.826 -6.604 182 1HB ALA 41 HB1 ALA 41 -3.548 -0.796 -6.970 183 2HB ALA 41 HB2 ALA 41 -3.571 -2.507 -7.397 184 3HB ALA 41 HB3 ALA 41 -2.544 -1.388 -8.294 185 H TYR 42 HN TYR 42 -1.775 0.334 -5.115 186 HA TYR 42 HA TYR 42 -0.116 1.943 -6.605 187 1HB TYR 42 HB2 TYR 42 -1.480 2.717 -4.709 188 2HB TYR 42 HB1 TYR 42 -0.406 1.888 -3.592 189 HD1 TYR 42 HD1 TYR 42 2.141 2.626 -3.781 190 HD2 TYR 42 HD2 TYR 42 -1.168 4.967 -5.068 191 HE1 TYR 42 HE1 TYR 42 3.513 4.656 -3.595 192 HE2 TYR 42 HE2 TYR 42 0.194 7.004 -4.888 193 HH TYR 42 HH TYR 42 2.601 7.628 -4.913 194 H ARG 43 HN ARG 43 0.792 -0.342 -4.053 195 HA ARG 43 HA ARG 43 3.547 0.273 -3.980 196 1HB ARG 43 HB2 ARG 43 2.181 -2.336 -3.298 197 2HB ARG 43 HB1 ARG 43 3.797 -1.857 -2.800 198 1HG ARG 43 HG2 ARG 43 2.856 -0.020 -1.498 199 2HG ARG 43 HG1 ARG 43 1.234 -0.492 -2.003 200 1HD ARG 43 HD2 ARG 43 1.647 -1.354 0.202 201 2HD ARG 43 HD1 ARG 43 1.591 -2.697 -0.936 202 HE ARG 43 HE ARG 43 4.257 -1.918 -0.659 203 1HH1 ARG 43 HH11 ARG 43 1.721 -3.334 1.297 204 2HH1 ARG 43 HH12 ARG 43 2.821 -4.210 2.307 205 1HH2 ARG 43 HH21 ARG 43 5.701 -3.075 0.675 206 2HH2 ARG 43 HH22 ARG 43 5.080 -4.063 1.954 207 H ARG 44 HN ARG 44 1.656 -1.842 -6.035 208 HA ARG 44 HA ARG 44 3.636 -3.489 -7.080 209 1HB ARG 44 HB2 ARG 44 1.233 -2.380 -8.541 210 2HB ARG 44 HB1 ARG 44 2.156 -3.803 -9.000 211 1HG ARG 44 HG2 ARG 44 1.443 -4.974 -7.029 212 2HG ARG 44 HG1 ARG 44 0.645 -3.527 -6.411 213 1HD ARG 44 HD2 ARG 44 -0.841 -3.565 -8.399 214 2HD ARG 44 HD1 ARG 44 -0.096 -5.088 -8.882 215 HE ARG 44 HE ARG 44 -0.999 -5.403 -6.271 216 1HH1 ARG 44 HH11 ARG 44 -2.378 -4.819 -9.436 217 2HH1 ARG 44 HH12 ARG 44 -3.873 -5.610 -9.065 218 1HH2 ARG 44 HH21 ARG 44 -2.970 -6.440 -5.787 219 2HH2 ARG 44 HH22 ARG 44 -4.210 -6.530 -6.993 220 H PHE 45 HN PHE 45 2.764 -0.179 -7.998 221 HA PHE 45 HA PHE 45 5.012 -0.215 -9.891 222 1HB PHE 45 HB2 PHE 45 3.864 1.750 -10.998 223 2HB PHE 45 HB1 PHE 45 3.080 0.189 -11.176 224 HD1 PHE 45 HD1 PHE 45 1.213 -0.309 -9.368 225 HD2 PHE 45 HD2 PHE 45 2.584 3.571 -10.448 226 HE1 PHE 45 HE1 PHE 45 -0.893 0.660 -8.551 227 HE2 PHE 45 HE2 PHE 45 0.478 4.542 -9.627 228 HZ PHE 45 HZ PHE 45 -1.259 3.088 -8.679 229 H TYR 46 HN TYR 46 5.024 0.381 -6.956 230 HA TYR 46 HA TYR 46 6.549 2.865 -7.161 231 1HB TYR 46 HB2 TYR 46 4.235 2.411 -5.309 232 2HB TYR 46 HB1 TYR 46 5.579 3.420 -4.789 233 HD1 TYR 46 HD1 TYR 46 3.172 3.040 -7.622 234 HD2 TYR 46 HD2 TYR 46 5.563 5.677 -5.295 235 HE1 TYR 46 HE1 TYR 46 2.197 4.963 -8.799 236 HE2 TYR 46 HE2 TYR 46 4.590 7.605 -6.467 237 HH TYR 46 HH TYR 46 1.899 7.639 -8.031 238 H GLY 47 HN GLY 47 5.521 0.497 -4.682 239 1HA GLY 47 HA2 GLY 47 7.116 -1.171 -3.905 240 2HA GLY 47 HA1 GLY 47 8.376 0.037 -4.093 241 HA PRO 48 HA PRO 48 8.001 0.808 0.253 242 1HB PRO 48 HB2 PRO 48 8.967 3.540 -0.289 243 2HB PRO 48 HB1 PRO 48 9.710 2.255 0.667 244 1HG PRO 48 HG2 PRO 48 10.709 2.997 -1.710 245 2HG PRO 48 HG1 PRO 48 10.751 1.310 -1.164 246 1HD PRO 48 HD2 PRO 48 8.887 2.629 -3.105 247 2HD PRO 48 HD1 PRO 48 9.661 1.032 -3.193 248 H VAL 49 HN VAL 49 5.834 0.915 0.719 249 HA VAL 49 HA VAL 49 4.640 3.597 0.694 250 HB VAL 49 HB VAL 49 3.117 1.122 -0.138 251 1HG1 VAL 49 HG11 VAL 49 2.192 3.931 -0.548 252 2HG1 VAL 49 HG12 VAL 49 1.989 3.163 1.025 253 3HG1 VAL 49 HG13 VAL 49 1.251 2.446 -0.407 254 1HG2 VAL 49 HG21 VAL 49 4.031 3.405 -1.885 255 2HG2 VAL 49 HG22 VAL 49 3.137 1.971 -2.390 256 3HG2 VAL 49 HG23 VAL 49 4.799 1.819 -1.825 Start of MODEL 5 1 H LEU 16 HN LEU 16 -3.374 -0.924 6.635 2 HA LEU 16 HA LEU 16 -3.175 -0.205 4.492 3 1HB LEU 16 HB2 LEU 16 -5.773 -0.293 4.643 4 2HB LEU 16 HB1 LEU 16 -5.662 1.453 4.728 5 HG LEU 16 HG LEU 16 -4.693 -0.290 2.461 6 1HD1 LEU 16 HD11 LEU 16 -6.951 1.699 2.626 7 2HD1 LEU 16 HD12 LEU 16 -7.113 -0.056 2.553 8 3HD1 LEU 16 HD13 LEU 16 -6.445 0.826 1.180 9 1HD2 LEU 16 HD21 LEU 16 -4.559 2.701 2.815 10 2HD2 LEU 16 HD22 LEU 16 -4.248 1.849 1.303 11 3HD2 LEU 16 HD23 LEU 16 -3.198 1.585 2.694 12 1HN CGU 17 HN CGU 17 -4.702 2.532 6.231 13 HA CGU 17 HA CGU 17 -3.964 4.616 6.744 14 1HB CGU 17 HB1 CGU 17 -1.553 5.074 6.868 15 2HB CGU 17 HB2 CGU 17 -1.213 3.578 5.996 16 HG CGU 17 HG2 CGU 17 -2.288 2.292 7.814 17 HA PRO 18 HA PRO 18 -4.080 6.826 2.932 18 1HB PRO 18 HB2 PRO 18 -3.085 9.249 3.666 19 2HB PRO 18 HB1 PRO 18 -4.695 8.687 4.132 20 1HG PRO 18 HG2 PRO 18 -2.152 8.669 5.713 21 2HG PRO 18 HG1 PRO 18 -3.788 9.117 6.230 22 1HD PRO 18 HD2 PRO 18 -2.699 6.707 6.791 23 2HD PRO 18 HD1 PRO 18 -4.438 6.921 6.506 24 H LYS 19 HN LYS 19 -2.434 5.410 1.994 25 HA LYS 19 HA LYS 19 0.223 6.661 1.791 26 1HB LYS 19 HB2 LYS 19 -0.572 3.804 1.205 27 2HB LYS 19 HB1 LYS 19 1.058 4.458 1.133 28 1HG LYS 19 HG2 LYS 19 -0.649 4.240 3.605 29 2HG LYS 19 HG1 LYS 19 0.701 3.189 3.176 30 1HD LYS 19 HD2 LYS 19 2.231 5.083 3.292 31 2HD LYS 19 HD1 LYS 19 0.886 6.161 3.670 32 1HE LYS 19 HE2 LYS 19 0.467 4.909 5.732 33 2HE LYS 19 HE1 LYS 19 1.812 3.835 5.354 34 1HZ LYS 19 HZ1 LYS 19 2.465 5.538 6.930 35 2HZ LYS 19 HZ2 LYS 19 2.017 6.757 5.847 36 3HZ LYS 19 HZ3 LYS 19 3.310 5.731 5.477 37 H ARG 20 HN ARG 20 -2.639 6.039 0.030 38 HA ARG 20 HA ARG 20 -1.384 5.937 -2.561 39 1HB ARG 20 HB2 ARG 20 -4.249 6.045 -1.654 40 2HB ARG 20 HB1 ARG 20 -3.812 6.184 -3.350 41 1HG ARG 20 HG2 ARG 20 -4.415 3.916 -2.882 42 2HG ARG 20 HG1 ARG 20 -2.684 3.991 -3.203 43 1HD ARG 20 HD2 ARG 20 -3.150 2.525 -1.317 44 2HD ARG 20 HD1 ARG 20 -2.234 3.937 -0.797 45 HE ARG 20 HE ARG 20 -3.958 4.449 0.592 46 1HH1 ARG 20 HH11 ARG 20 -5.236 2.404 -1.953 47 2HH1 ARG 20 HH12 ARG 20 -6.837 2.386 -1.298 48 1HH2 ARG 20 HH21 ARG 20 -6.068 4.414 1.446 49 2HH2 ARG 20 HH22 ARG 20 -7.310 3.524 0.630 50 1HN CGU 21 HN CGU 21 -1.641 8.451 -0.497 51 HA CGU 21 HA CGU 21 -2.816 10.499 -1.988 52 1HB CGU 21 HB1 CGU 21 -0.993 11.971 -0.686 53 2HB CGU 21 HB2 CGU 21 -2.415 11.311 0.120 54 HG CGU 21 HG2 CGU 21 -1.066 9.364 0.861 55 H VAL 22 HN VAL 22 0.251 8.917 -2.390 56 HA VAL 22 HA VAL 22 1.251 10.935 -4.240 57 HB VAL 22 HB VAL 22 2.407 8.215 -3.575 58 1HG1 VAL 22 HG11 VAL 22 3.662 10.580 -4.966 59 2HG1 VAL 22 HG12 VAL 22 3.122 9.095 -5.749 60 3HG1 VAL 22 HG13 VAL 22 4.452 9.048 -4.593 61 1HG2 VAL 22 HG21 VAL 22 2.697 9.270 -1.573 62 2HG2 VAL 22 HG22 VAL 22 2.693 10.881 -2.293 63 3HG2 VAL 22 HG23 VAL 22 4.127 9.862 -2.417 64 H CYS 23 HN CYS 23 -0.015 7.637 -4.241 65 HA CYS 23 HA CYS 23 0.296 6.998 -6.933 66 1HB CYS 23 HB2 CYS 23 -0.340 5.375 -5.204 67 2HB CYS 23 HB1 CYS 23 -1.909 6.154 -5.041 68 1HN CGU 24 HN CGU 24 -2.059 9.057 -5.360 69 HA CGU 24 HA CGU 24 -4.074 9.113 -7.291 70 1HB CGU 24 HB1 CGU 24 -4.467 11.496 -6.387 71 2HB CGU 24 HB2 CGU 24 -3.113 11.170 -5.301 72 HG CGU 24 HG2 CGU 24 -4.286 9.159 -4.467 73 H LEU 25 HN LEU 25 -1.022 10.896 -7.115 74 HA LEU 25 HA LEU 25 -1.499 12.651 -9.275 75 1HB LEU 25 HB2 LEU 25 1.058 11.603 -8.068 76 2HB LEU 25 HB1 LEU 25 1.039 12.768 -9.377 77 HG LEU 25 HG LEU 25 1.386 13.922 -7.296 78 1HD1 LEU 25 HD11 LEU 25 -1.474 14.437 -8.054 79 2HD1 LEU 25 HD12 LEU 25 -0.116 14.897 -9.081 80 3HD1 LEU 25 HD13 LEU 25 -0.270 15.583 -7.463 81 1HD2 LEU 25 HD21 LEU 25 -1.269 12.931 -6.303 82 2HD2 LEU 25 HD22 LEU 25 -0.008 13.784 -5.412 83 3HD2 LEU 25 HD23 LEU 25 0.246 12.115 -5.920 84 H ASN 26 HN ASN 26 -0.288 9.361 -9.098 85 HA ASN 26 HA ASN 26 -0.159 9.276 -12.041 86 1HB ASN 26 HB2 ASN 26 1.351 7.288 -11.716 87 2HB ASN 26 HB1 ASN 26 2.025 8.813 -11.156 88 1HD2 ASN 26 HD21 ASN 26 1.628 5.637 -10.398 89 2HD2 ASN 26 HD22 ASN 26 1.822 5.726 -8.684 90 HA PRO 27 HA PRO 27 -4.090 7.087 -10.841 91 1HB PRO 27 HB2 PRO 27 -4.197 7.383 -13.819 92 2HB PRO 27 HB1 PRO 27 -5.485 7.572 -12.622 93 1HG PRO 27 HG2 PRO 27 -4.315 9.709 -13.671 94 2HG PRO 27 HG1 PRO 27 -4.733 9.664 -11.948 95 1HD PRO 27 HD2 PRO 27 -2.073 9.421 -13.259 96 2HD PRO 27 HD1 PRO 27 -2.501 10.117 -11.685 97 H ASP 28 HN ASP 28 -2.873 5.216 -10.274 98 HA ASP 28 HA ASP 28 -2.747 3.201 -12.421 99 1HB ASP 28 HB2 ASP 28 -0.812 3.576 -10.121 100 2HB ASP 28 HB1 ASP 28 -0.835 2.163 -11.164 101 H CYS 29 HN CYS 29 -2.646 3.535 -8.875 102 HA CYS 29 HA CYS 29 -3.991 1.039 -8.436 103 1HB CYS 29 HB2 CYS 29 -3.900 1.625 -6.067 104 2HB CYS 29 HB1 CYS 29 -2.339 1.916 -6.821 105 H ASP 30 HN ASP 30 -4.859 4.477 -8.246 106 HA ASP 30 HA ASP 30 -7.539 4.052 -7.383 107 1HB ASP 30 HB2 ASP 30 -6.253 6.213 -7.165 108 2HB ASP 30 HB1 ASP 30 -6.443 6.436 -8.899 109 H GLU 31 HN GLU 31 -5.949 4.398 -10.508 110 HA GLU 31 HA GLU 31 -8.227 4.528 -12.147 111 1HB GLU 31 HB2 GLU 31 -5.954 5.085 -12.908 112 2HB GLU 31 HB1 GLU 31 -5.494 3.395 -12.768 113 1HG GLU 31 HG2 GLU 31 -7.102 2.808 -14.506 114 2HG GLU 31 HG1 GLU 31 -7.577 4.501 -14.639 115 H LEU 32 HN LEU 32 -6.774 1.885 -10.442 116 HA LEU 32 HA LEU 32 -7.562 -0.314 -11.959 117 1HB LEU 32 HB2 LEU 32 -6.067 -0.357 -9.966 118 2HB LEU 32 HB1 LEU 32 -7.473 -0.122 -8.947 119 HG LEU 32 HG LEU 32 -8.388 -2.277 -9.741 120 1HD1 LEU 32 HD11 LEU 32 -5.763 -2.438 -11.209 121 2HD1 LEU 32 HD12 LEU 32 -7.383 -2.446 -11.906 122 3HD1 LEU 32 HD13 LEU 32 -6.834 -3.812 -10.935 123 1HD2 LEU 32 HD21 LEU 32 -6.201 -3.580 -8.793 124 2HD2 LEU 32 HD22 LEU 32 -7.405 -2.779 -7.786 125 3HD2 LEU 32 HD23 LEU 32 -5.910 -1.943 -8.204 126 H ALA 33 HN ALA 33 -9.457 1.826 -9.963 127 HA ALA 33 HA ALA 33 -11.678 0.191 -9.456 128 1HB ALA 33 HB1 ALA 33 -11.601 3.183 -9.780 129 2HB ALA 33 HB2 ALA 33 -11.276 2.297 -8.290 130 3HB ALA 33 HB3 ALA 33 -12.886 2.254 -9.008 131 H ASP 34 HN ASP 34 -10.591 1.460 -12.416 132 HA ASP 34 HA ASP 34 -12.891 2.078 -13.805 133 1HB ASP 34 HB2 ASP 34 -10.648 2.424 -14.709 134 2HB ASP 34 HB1 ASP 34 -10.412 0.684 -14.833 135 H HIS 35 HN HIS 35 -11.586 -1.147 -13.071 136 HA HIS 35 HA HIS 35 -14.070 -2.253 -14.190 137 1HB HIS 35 HB2 HIS 35 -12.848 -4.187 -15.064 138 2HB HIS 35 HB1 HIS 35 -12.302 -2.682 -15.790 139 HD1 HIS 35 HD1 HIS 35 -10.320 -4.666 -16.246 140 HD2 HIS 35 HD2 HIS 35 -10.502 -2.792 -12.545 141 HE1 HIS 35 HE1 HIS 35 -8.057 -5.004 -15.208 142 HE2 HIS 35 HE2 HIS 35 -8.242 -3.988 -12.913 143 H ILE 36 HN ILE 36 -12.086 -2.133 -11.412 144 HA ILE 36 HA ILE 36 -13.654 -4.340 -10.297 145 HB ILE 36 HB ILE 36 -11.724 -5.236 -9.064 146 1HG1 ILE 36 HG12 ILE 36 -10.096 -3.397 -10.834 147 2HG1 ILE 36 HG11 ILE 36 -10.266 -3.265 -9.088 148 1HG2 ILE 36 HG21 ILE 36 -12.528 -6.156 -11.245 149 2HG2 ILE 36 HG22 ILE 36 -10.848 -6.527 -10.857 150 3HG2 ILE 36 HG23 ILE 36 -11.225 -5.265 -12.030 151 1HD1 ILE 36 HD11 ILE 36 -8.491 -4.922 -10.662 152 2HD1 ILE 36 HD12 ILE 36 -9.374 -5.842 -9.443 153 3HD1 ILE 36 HD13 ILE 36 -8.400 -4.452 -8.965 154 H GLY 37 HN GLY 37 -11.349 -1.738 -9.401 155 1HA GLY 37 HA2 GLY 37 -11.655 -0.081 -7.797 156 2HA GLY 37 HA1 GLY 37 -13.206 -0.798 -7.393 157 H PHE 38 HN PHE 38 -9.777 -1.787 -7.243 158 HA PHE 38 HA PHE 38 -10.259 -2.655 -4.469 159 1HB PHE 38 HB2 PHE 38 -8.503 -3.866 -6.598 160 2HB PHE 38 HB1 PHE 38 -8.306 -4.246 -4.892 161 HD1 PHE 38 HD1 PHE 38 -11.158 -3.974 -7.294 162 HD2 PHE 38 HD2 PHE 38 -9.218 -6.239 -4.262 163 HE1 PHE 38 HE1 PHE 38 -12.894 -5.702 -7.483 164 HE2 PHE 38 HE2 PHE 38 -10.952 -7.976 -4.445 165 HZ PHE 38 HZ PHE 38 -12.794 -7.708 -6.058 166 H GLN 39 HN GLN 39 -7.995 -1.074 -6.673 167 HA GLN 39 HA GLN 39 -6.242 0.319 -6.330 168 1HB GLN 39 HB2 GLN 39 -7.689 0.630 -3.711 169 2HB GLN 39 HB1 GLN 39 -6.170 1.459 -4.009 170 1HG GLN 39 HG2 GLN 39 -8.066 2.906 -4.445 171 2HG GLN 39 HG1 GLN 39 -7.143 2.607 -5.914 172 1HE2 GLN 39 HE21 GLN 39 -10.189 2.624 -4.518 173 2HE2 GLN 39 HE22 GLN 39 -11.051 1.796 -5.765 174 H GLU 40 HN GLU 40 -6.028 -2.551 -5.763 175 HA GLU 40 HA GLU 40 -4.099 -2.757 -3.604 176 1HB GLU 40 HB2 GLU 40 -4.071 -5.156 -4.160 177 2HB GLU 40 HB1 GLU 40 -5.703 -4.564 -3.886 178 1HG GLU 40 HG2 GLU 40 -6.056 -4.443 -6.310 179 2HG GLU 40 HG1 GLU 40 -4.428 -5.067 -6.569 180 H ALA 41 HN ALA 41 -4.109 -2.269 -7.014 181 HA ALA 41 HA ALA 41 -1.708 -3.403 -7.821 182 1HB ALA 41 HB1 ALA 41 -2.788 -0.779 -8.826 183 2HB ALA 41 HB2 ALA 41 -3.446 -2.349 -9.287 184 3HB ALA 41 HB3 ALA 41 -1.780 -1.936 -9.694 185 H TYR 42 HN TYR 42 -2.279 -0.507 -5.943 186 HA TYR 42 HA TYR 42 -0.051 1.015 -6.241 187 1HB TYR 42 HB2 TYR 42 -1.854 1.586 -4.707 188 2HB TYR 42 HB1 TYR 42 -1.405 0.260 -3.644 189 HD1 TYR 42 HD1 TYR 42 1.021 0.365 -2.666 190 HD2 TYR 42 HD2 TYR 42 -1.041 3.712 -4.286 191 HE1 TYR 42 HE1 TYR 42 2.496 1.874 -1.407 192 HE2 TYR 42 HE2 TYR 42 0.429 5.232 -3.034 193 HH TYR 42 HH TYR 42 1.891 4.873 -0.700 194 H ARG 43 HN ARG 43 -0.269 -1.937 -4.277 195 HA ARG 43 HA ARG 43 2.278 -1.929 -3.148 196 1HB ARG 43 HB2 ARG 43 0.637 -4.309 -4.033 197 2HB ARG 43 HB1 ARG 43 1.996 -4.369 -2.921 198 1HG ARG 43 HG2 ARG 43 0.790 -3.062 -1.300 199 2HG ARG 43 HG1 ARG 43 -0.546 -2.832 -2.430 200 1HD ARG 43 HD2 ARG 43 0.379 -5.477 -1.312 201 2HD ARG 43 HD1 ARG 43 -1.031 -4.571 -0.764 202 HE ARG 43 HE ARG 43 -1.281 -4.997 -3.517 203 1HH1 ARG 43 HH11 ARG 43 -1.289 -6.850 -0.547 204 2HH1 ARG 43 HH12 ARG 43 -2.315 -8.092 -1.181 205 1HH2 ARG 43 HH21 ARG 43 -2.629 -6.636 -4.348 206 2HH2 ARG 43 HH22 ARG 43 -3.077 -7.971 -3.340 207 H ARG 44 HN ARG 44 1.207 -3.080 -6.300 208 HA ARG 44 HA ARG 44 3.473 -4.465 -7.122 209 1HB ARG 44 HB2 ARG 44 1.614 -2.839 -8.863 210 2HB ARG 44 HB1 ARG 44 2.662 -4.146 -9.395 211 1HG ARG 44 HG2 ARG 44 1.384 -5.746 -8.117 212 2HG ARG 44 HG1 ARG 44 0.382 -4.456 -7.452 213 1HD ARG 44 HD2 ARG 44 -0.367 -3.907 -9.742 214 2HD ARG 44 HD1 ARG 44 0.568 -5.271 -10.350 215 HE ARG 44 HE ARG 44 -2.008 -5.372 -9.180 216 1HH1 ARG 44 HH11 ARG 44 0.986 -7.185 -9.382 217 2HH1 ARG 44 HH12 ARG 44 0.231 -8.701 -9.025 218 1HH2 ARG 44 HH21 ARG 44 -2.990 -7.373 -8.715 219 2HH2 ARG 44 HH22 ARG 44 -2.024 -8.809 -8.650 220 H PHE 45 HN PHE 45 2.756 -0.986 -7.425 221 HA PHE 45 HA PHE 45 5.479 -0.620 -8.456 222 1HB PHE 45 HB2 PHE 45 4.635 1.660 -9.204 223 2HB PHE 45 HB1 PHE 45 4.023 0.257 -10.063 224 HD1 PHE 45 HD1 PHE 45 1.719 -0.663 -9.212 225 HD2 PHE 45 HD2 PHE 45 3.170 3.266 -8.472 226 HE1 PHE 45 HE1 PHE 45 -0.580 0.109 -8.817 227 HE2 PHE 45 HE2 PHE 45 0.870 4.041 -8.068 228 HZ PHE 45 HZ PHE 45 -1.006 2.461 -8.242 229 H TYR 46 HN TYR 46 4.461 -0.763 -5.552 230 HA TYR 46 HA TYR 46 6.120 1.455 -4.638 231 1HB TYR 46 HB2 TYR 46 3.267 1.023 -3.809 232 2HB TYR 46 HB1 TYR 46 4.417 1.726 -2.681 233 HD1 TYR 46 HD1 TYR 46 3.024 2.197 -6.110 234 HD2 TYR 46 HD2 TYR 46 4.824 4.009 -2.710 235 HE1 TYR 46 HE1 TYR 46 2.648 4.419 -7.095 236 HE2 TYR 46 HE2 TYR 46 4.449 6.233 -3.687 237 HH TYR 46 HH TYR 46 2.397 6.957 -5.876 238 H GLY 47 HN GLY 47 4.005 -0.944 -3.044 239 1HA GLY 47 HA2 GLY 47 5.107 -3.031 -2.250 240 2HA GLY 47 HA1 GLY 47 6.416 -1.998 -1.699 241 HA PRO 48 HA PRO 48 4.499 -1.518 2.237 242 1HB PRO 48 HB2 PRO 48 4.730 1.133 2.803 243 2HB PRO 48 HB1 PRO 48 6.098 0.015 2.827 244 1HG PRO 48 HG2 PRO 48 5.252 1.930 0.688 245 2HG PRO 48 HG1 PRO 48 6.881 1.578 1.296 246 1HD PRO 48 HD2 PRO 48 5.933 0.529 -1.009 247 2HD PRO 48 HD1 PRO 48 7.072 -0.343 0.036 248 H VAL 49 HN VAL 49 2.373 -1.855 2.411 249 HA VAL 49 HA VAL 49 0.552 0.390 1.985 250 HB VAL 49 HB VAL 49 0.050 -2.343 0.787 251 1HG1 VAL 49 HG11 VAL 49 -2.040 -1.523 1.498 252 2HG1 VAL 49 HG12 VAL 49 -1.946 -1.126 -0.218 253 3HG1 VAL 49 HG13 VAL 49 -1.658 0.123 0.993 254 1HG2 VAL 49 HG21 VAL 49 0.779 0.303 -0.434 255 2HG2 VAL 49 HG22 VAL 49 -0.012 -0.973 -1.359 256 3HG2 VAL 49 HG23 VAL 49 1.573 -1.258 -0.638 Start of MODEL 6 1 H LEU 16 HN LEU 16 6.832 2.516 1.285 2 HA LEU 16 HA LEU 16 5.604 2.680 -1.328 3 1HB LEU 16 HB2 LEU 16 4.548 3.357 1.418 4 2HB LEU 16 HB1 LEU 16 3.596 3.403 -0.053 5 HG LEU 16 HG LEU 16 4.887 0.924 1.095 6 1HD1 LEU 16 HD11 LEU 16 3.031 1.832 2.463 7 2HD1 LEU 16 HD12 LEU 16 2.675 0.257 1.755 8 3HD1 LEU 16 HD13 LEU 16 1.980 1.717 1.051 9 1HD2 LEU 16 HD21 LEU 16 3.601 -0.277 -0.569 10 2HD2 LEU 16 HD22 LEU 16 4.647 0.903 -1.358 11 3HD2 LEU 16 HD23 LEU 16 2.925 1.235 -1.176 12 1HN CGU 17 HN CGU 17 6.571 4.936 1.241 13 HA CGU 17 HA CGU 17 7.016 7.164 1.228 14 1HB CGU 17 HB1 CGU 17 7.259 8.199 -1.198 15 2HB CGU 17 HB2 CGU 17 7.282 6.502 -1.682 16 HG CGU 17 HG2 CGU 17 9.106 7.754 0.387 17 HA PRO 18 HA PRO 18 3.106 9.169 0.739 18 1HB PRO 18 HB2 PRO 18 3.761 11.758 0.962 19 2HB PRO 18 HB1 PRO 18 3.971 10.634 2.310 20 1HG PRO 18 HG2 PRO 18 6.006 11.719 0.413 21 2HG PRO 18 HG1 PRO 18 6.139 11.431 2.155 22 1HD PRO 18 HD2 PRO 18 7.101 9.736 0.186 23 2HD PRO 18 HD1 PRO 18 6.747 9.256 1.857 24 H LYS 19 HN LYS 19 3.517 8.287 -1.684 25 HA LYS 19 HA LYS 19 3.186 10.613 -3.466 26 1HB LYS 19 HB2 LYS 19 4.422 7.947 -4.185 27 2HB LYS 19 HB1 LYS 19 4.217 9.318 -5.266 28 1HG LYS 19 HG2 LYS 19 5.956 9.268 -2.808 29 2HG LYS 19 HG1 LYS 19 6.515 9.116 -4.474 30 1HD LYS 19 HD2 LYS 19 5.677 11.352 -4.971 31 2HD LYS 19 HD1 LYS 19 5.073 11.504 -3.321 32 1HE LYS 19 HE2 LYS 19 7.961 11.151 -4.117 33 2HE LYS 19 HE1 LYS 19 7.210 12.666 -3.620 34 1HZ LYS 19 HZ1 LYS 19 7.806 10.280 -1.987 35 2HZ LYS 19 HZ2 LYS 19 6.625 11.386 -1.495 36 3HZ LYS 19 HZ3 LYS 19 8.224 11.895 -1.701 37 H ARG 20 HN ARG 20 1.076 9.240 -2.053 38 HA ARG 20 HA ARG 20 -0.234 7.656 -4.128 39 1HB ARG 20 HB2 ARG 20 -0.838 8.116 -1.217 40 2HB ARG 20 HB1 ARG 20 -2.006 7.365 -2.294 41 1HG ARG 20 HG2 ARG 20 -0.804 5.659 -1.115 42 2HG ARG 20 HG1 ARG 20 -0.350 5.612 -2.818 43 1HD ARG 20 HD2 ARG 20 1.602 5.339 -1.385 44 2HD ARG 20 HD1 ARG 20 1.704 6.834 -2.310 45 HE ARG 20 HE ARG 20 1.759 7.969 -0.340 46 1HH1 ARG 20 HH11 ARG 20 0.339 4.829 0.290 47 2HH1 ARG 20 HH12 ARG 20 0.183 5.107 1.990 48 1HH2 ARG 20 HH21 ARG 20 1.555 8.324 1.899 49 2HH2 ARG 20 HH22 ARG 20 0.875 7.089 2.905 50 1HN CGU 21 HN CGU 21 0.125 10.688 -4.176 51 HA CGU 21 HA CGU 21 -2.357 11.946 -3.807 52 1HB CGU 21 HB1 CGU 21 -0.057 12.578 -5.675 53 2HB CGU 21 HB2 CGU 21 -1.472 13.621 -5.501 54 HG CGU 21 HG2 CGU 21 0.379 12.784 -3.253 55 H VAL 22 HN VAL 22 -0.943 10.295 -6.596 56 HA VAL 22 HA VAL 22 -3.325 10.668 -8.211 57 HB VAL 22 HB VAL 22 -0.903 8.951 -8.792 58 1HG1 VAL 22 HG11 VAL 22 -3.020 10.069 -10.627 59 2HG1 VAL 22 HG12 VAL 22 -2.878 8.387 -10.116 60 3HG1 VAL 22 HG13 VAL 22 -1.621 9.113 -11.117 61 1HG2 VAL 22 HG21 VAL 22 -0.202 10.872 -10.241 62 2HG2 VAL 22 HG22 VAL 22 -0.117 11.185 -8.508 63 3HG2 VAL 22 HG23 VAL 22 -1.452 11.838 -9.457 64 H CYS 23 HN CYS 23 -1.710 8.130 -6.376 65 HA CYS 23 HA CYS 23 -3.066 5.867 -7.148 66 1HB CYS 23 HB2 CYS 23 -1.182 5.880 -5.570 67 2HB CYS 23 HB1 CYS 23 -2.209 6.612 -4.343 68 1HN CGU 24 HN CGU 24 -4.127 8.354 -4.855 69 HA CGU 24 HA CGU 24 -6.419 7.056 -3.893 70 1HB CGU 24 HB1 CGU 24 -7.063 9.762 -3.861 71 2HB CGU 24 HB2 CGU 24 -5.298 9.748 -3.794 72 HG CGU 24 HG2 CGU 24 -7.142 8.181 -1.969 73 H LEU 25 HN LEU 25 -5.889 8.953 -6.811 74 HA LEU 25 HA LEU 25 -8.606 9.290 -7.522 75 1HB LEU 25 HB2 LEU 25 -6.737 10.621 -8.455 76 2HB LEU 25 HB1 LEU 25 -6.176 9.203 -9.315 77 HG LEU 25 HG LEU 25 -7.407 10.818 -10.741 78 1HD1 LEU 25 HD11 LEU 25 -9.103 8.378 -10.672 79 2HD1 LEU 25 HD12 LEU 25 -7.374 8.197 -10.970 80 3HD1 LEU 25 HD13 LEU 25 -8.353 9.199 -12.040 81 1HD2 LEU 25 HD21 LEU 25 -9.700 11.242 -10.495 82 2HD2 LEU 25 HD22 LEU 25 -9.029 11.419 -8.873 83 3HD2 LEU 25 HD23 LEU 25 -9.900 9.949 -9.312 84 H ASN 26 HN ASN 26 -6.163 6.984 -8.763 85 HA ASN 26 HA ASN 26 -8.207 5.439 -10.095 86 1HB ASN 26 HB2 ASN 26 -6.318 3.951 -10.751 87 2HB ASN 26 HB1 ASN 26 -6.073 5.634 -11.203 88 1HD2 ASN 26 HD21 ASN 26 -4.614 2.989 -9.911 89 2HD2 ASN 26 HD22 ASN 26 -3.333 3.765 -9.050 90 HA PRO 27 HA PRO 27 -8.899 3.011 -6.382 91 1HB PRO 27 HB2 PRO 27 -11.019 1.620 -7.312 92 2HB PRO 27 HB1 PRO 27 -11.141 3.308 -6.805 93 1HG PRO 27 HG2 PRO 27 -10.908 2.172 -9.563 94 2HG PRO 27 HG1 PRO 27 -11.948 3.482 -8.977 95 1HD PRO 27 HD2 PRO 27 -9.613 3.911 -10.312 96 2HD PRO 27 HD1 PRO 27 -10.273 5.042 -9.115 97 H ASP 28 HN ASP 28 -6.854 1.896 -6.722 98 HA ASP 28 HA ASP 28 -7.262 -0.900 -7.306 99 1HB ASP 28 HB2 ASP 28 -6.675 0.133 -9.535 100 2HB ASP 28 HB1 ASP 28 -5.115 0.574 -8.850 101 H CYS 29 HN CYS 29 -4.475 1.332 -7.065 102 HA CYS 29 HA CYS 29 -3.030 -0.393 -5.322 103 1HB CYS 29 HB2 CYS 29 -1.556 1.650 -5.002 104 2HB CYS 29 HB1 CYS 29 -1.736 1.086 -6.658 105 H ASP 30 HN ASP 30 -4.977 2.530 -4.831 106 HA ASP 30 HA ASP 30 -4.547 2.643 -2.013 107 1HB ASP 30 HB2 ASP 30 -6.449 4.256 -2.016 108 2HB ASP 30 HB1 ASP 30 -5.179 4.671 -3.154 109 H GLU 31 HN GLU 31 -6.943 1.158 -4.104 110 HA GLU 31 HA GLU 31 -8.811 0.424 -2.117 111 1HB GLU 31 HB2 GLU 31 -9.347 0.468 -4.512 112 2HB GLU 31 HB1 GLU 31 -8.225 -0.855 -4.794 113 1HG GLU 31 HG2 GLU 31 -9.603 -2.324 -3.416 114 2HG GLU 31 HG1 GLU 31 -10.724 -0.996 -3.121 115 H LEU 32 HN LEU 32 -5.826 -1.018 -3.256 116 HA LEU 32 HA LEU 32 -6.138 -3.611 -2.228 117 1HB LEU 32 HB2 LEU 32 -4.351 -2.879 -3.804 118 2HB LEU 32 HB1 LEU 32 -3.579 -2.027 -2.481 119 HG LEU 32 HG LEU 32 -3.345 -4.225 -1.295 120 1HD1 LEU 32 HD11 LEU 32 -4.820 -5.102 -3.664 121 2HD1 LEU 32 HD12 LEU 32 -4.660 -5.855 -2.078 122 3HD1 LEU 32 HD13 LEU 32 -3.400 -6.079 -3.291 123 1HD2 LEU 32 HD21 LEU 32 -1.982 -4.431 -3.941 124 2HD2 LEU 32 HD22 LEU 32 -1.341 -4.697 -2.320 125 3HD2 LEU 32 HD23 LEU 32 -1.642 -3.056 -2.890 126 H ALA 33 HN ALA 33 -5.223 -0.582 -0.703 127 HA ALA 33 HA ALA 33 -4.395 -1.853 1.758 128 1HB ALA 33 HB1 ALA 33 -3.415 0.097 2.234 129 2HB ALA 33 HB2 ALA 33 -4.873 1.022 1.876 130 3HB ALA 33 HB3 ALA 33 -3.792 0.542 0.570 131 H ASP 34 HN ASP 34 -6.950 -2.673 1.233 132 HA ASP 34 HA ASP 34 -8.477 -1.333 3.355 133 1HB ASP 34 HB2 ASP 34 -9.526 -2.248 0.671 134 2HB ASP 34 HB1 ASP 34 -10.568 -1.863 2.036 135 H HIS 35 HN HIS 35 -8.445 -4.241 1.284 136 HA HIS 35 HA HIS 35 -9.558 -5.822 3.449 137 1HB HIS 35 HB2 HIS 35 -9.593 -7.672 1.804 138 2HB HIS 35 HB1 HIS 35 -10.452 -6.244 1.249 139 HD1 HIS 35 HD1 HIS 35 -9.848 -7.975 -0.963 140 HD2 HIS 35 HD2 HIS 35 -6.952 -5.371 0.479 141 HE1 HIS 35 HE1 HIS 35 -8.212 -7.678 -2.846 142 HE2 HIS 35 HE2 HIS 35 -6.568 -5.971 -2.002 143 H ILE 36 HN ILE 36 -6.430 -5.042 2.296 144 HA ILE 36 HA ILE 36 -5.319 -7.152 4.003 145 HB ILE 36 HB ILE 36 -3.443 -7.512 2.461 146 1HG1 ILE 36 HG12 ILE 36 -5.053 -5.878 0.485 147 2HG1 ILE 36 HG11 ILE 36 -3.569 -5.340 1.262 148 1HG2 ILE 36 HG21 ILE 36 -4.586 -8.961 0.957 149 2HG2 ILE 36 HG22 ILE 36 -6.070 -8.018 1.084 150 3HG2 ILE 36 HG23 ILE 36 -5.490 -8.940 2.471 151 1HD1 ILE 36 HD11 ILE 36 -2.705 -6.075 -0.692 152 2HD1 ILE 36 HD12 ILE 36 -3.970 -7.282 -0.928 153 3HD1 ILE 36 HD13 ILE 36 -2.655 -7.592 0.206 154 H GLY 37 HN GLY 37 -4.670 -4.050 2.356 155 1HA GLY 37 HA2 GLY 37 -3.675 -2.159 3.271 156 2HA GLY 37 HA1 GLY 37 -3.369 -3.066 4.742 157 H PHE 38 HN PHE 38 -2.313 -3.071 1.324 158 HA PHE 38 HA PHE 38 0.454 -3.324 2.293 159 1HB PHE 38 HB2 PHE 38 -0.854 -4.807 0.020 160 2HB PHE 38 HB1 PHE 38 0.892 -4.665 0.173 161 HD1 PHE 38 HD1 PHE 38 -2.012 -5.572 2.345 162 HD2 PHE 38 HD2 PHE 38 1.962 -6.445 1.111 163 HE1 PHE 38 HE1 PHE 38 -1.986 -7.528 3.835 164 HE2 PHE 38 HE2 PHE 38 1.999 -8.404 2.599 165 HZ PHE 38 HZ PHE 38 0.022 -8.948 3.964 166 H GLN 39 HN GLN 39 -1.527 -2.441 -0.540 167 HA GLN 39 HA GLN 39 -1.334 -0.787 -2.081 168 1HB GLN 39 HB2 GLN 39 0.590 0.424 -0.085 169 2HB GLN 39 HB1 GLN 39 -0.041 1.248 -1.503 170 1HG GLN 39 HG2 GLN 39 -2.312 1.018 -0.608 171 2HG GLN 39 HG1 GLN 39 -1.652 0.237 0.828 172 1HE2 GLN 39 HE21 GLN 39 -2.774 3.077 -0.339 173 2HE2 GLN 39 HE22 GLN 39 -1.965 4.175 0.721 174 H GLU 40 HN GLU 40 0.479 -3.144 -2.031 175 HA GLU 40 HA GLU 40 2.998 -2.282 -3.097 176 1HB GLU 40 HB2 GLU 40 3.365 -4.685 -3.555 177 2HB GLU 40 HB1 GLU 40 2.882 -4.378 -1.893 178 1HG GLU 40 HG2 GLU 40 0.595 -5.064 -2.435 179 2HG GLU 40 HG1 GLU 40 1.091 -5.385 -4.096 180 H ALA 41 HN ALA 41 -0.128 -3.064 -4.405 181 HA ALA 41 HA ALA 41 0.498 -3.724 -7.030 182 1HB ALA 41 HB1 ALA 41 -1.735 -3.385 -7.526 183 2HB ALA 41 HB2 ALA 41 -1.884 -2.027 -6.410 184 3HB ALA 41 HB3 ALA 41 -1.779 -3.674 -5.787 185 H TYR 42 HN TYR 42 0.307 -0.563 -5.483 186 HA TYR 42 HA TYR 42 0.178 1.219 -7.516 187 1HB TYR 42 HB2 TYR 42 0.420 1.840 -5.153 188 2HB TYR 42 HB1 TYR 42 2.102 1.333 -5.183 189 HD1 TYR 42 HD1 TYR 42 3.551 2.554 -7.076 190 HD2 TYR 42 HD2 TYR 42 -0.030 4.086 -5.366 191 HE1 TYR 42 HE1 TYR 42 4.227 4.828 -7.713 192 HE2 TYR 42 HE2 TYR 42 0.636 6.366 -6.001 193 HH TYR 42 HH TYR 42 2.178 7.406 -7.806 194 H ARG 43 HN ARG 43 3.180 -0.412 -6.482 195 HA ARG 43 HA ARG 43 4.932 0.752 -8.309 196 1HB ARG 43 HB2 ARG 43 5.014 -2.054 -7.190 197 2HB ARG 43 HB1 ARG 43 6.360 -1.227 -7.957 198 1HG ARG 43 HG2 ARG 43 6.298 0.470 -6.170 199 2HG ARG 43 HG1 ARG 43 5.005 -0.440 -5.386 200 1HD ARG 43 HD2 ARG 43 6.510 -2.387 -5.227 201 2HD ARG 43 HD1 ARG 43 7.800 -1.429 -5.951 202 HE ARG 43 HE ARG 43 8.187 -0.522 -3.903 203 1HH1 ARG 43 HH11 ARG 43 4.919 -1.787 -3.894 204 2HH1 ARG 43 HH12 ARG 43 4.648 -1.405 -2.229 205 1HH2 ARG 43 HH21 ARG 43 7.822 -0.030 -1.711 206 2HH2 ARG 43 HH22 ARG 43 6.295 -0.409 -0.988 207 H ARG 44 HN ARG 44 2.827 -2.051 -8.687 208 HA ARG 44 HA ARG 44 3.785 -3.120 -11.049 209 1HB ARG 44 HB2 ARG 44 0.884 -2.952 -10.225 210 2HB ARG 44 HB1 ARG 44 1.584 -4.106 -11.348 211 1HG ARG 44 HG2 ARG 44 2.888 -5.098 -9.562 212 2HG ARG 44 HG1 ARG 44 2.268 -3.903 -8.422 213 1HD ARG 44 HD2 ARG 44 -0.026 -4.742 -8.877 214 2HD ARG 44 HD1 ARG 44 0.677 -6.007 -9.883 215 HE ARG 44 HE ARG 44 0.474 -6.007 -7.061 216 1HH1 ARG 44 HH11 ARG 44 2.605 -7.021 -9.653 217 2HH1 ARG 44 HH12 ARG 44 3.368 -8.250 -8.704 218 1HH2 ARG 44 HH21 ARG 44 1.482 -7.629 -5.824 219 2HH2 ARG 44 HH22 ARG 44 2.730 -8.598 -6.533 220 H PHE 45 HN PHE 45 1.449 -0.454 -10.654 221 HA PHE 45 HA PHE 45 1.637 -0.008 -13.555 222 1HB PHE 45 HB2 PHE 45 -0.543 1.391 -13.065 223 2HB PHE 45 HB1 PHE 45 -0.606 -0.348 -13.306 224 HD1 PHE 45 HD1 PHE 45 -0.573 -1.818 -11.196 225 HD2 PHE 45 HD2 PHE 45 -1.447 2.343 -11.157 226 HE1 PHE 45 HE1 PHE 45 -1.691 -2.077 -9.023 227 HE2 PHE 45 HE2 PHE 45 -2.563 2.089 -8.979 228 HZ PHE 45 HZ PHE 45 -2.689 -0.123 -7.913 229 H TYR 46 HN TYR 46 3.427 1.050 -11.364 230 HA TYR 46 HA TYR 46 3.390 3.817 -12.302 231 1HB TYR 46 HB2 TYR 46 3.355 2.997 -9.408 232 2HB TYR 46 HB1 TYR 46 4.085 4.513 -9.912 233 HD1 TYR 46 HD1 TYR 46 0.873 2.615 -10.129 234 HD2 TYR 46 HD2 TYR 46 2.782 6.416 -10.083 235 HE1 TYR 46 HE1 TYR 46 -1.323 3.715 -10.036 236 HE2 TYR 46 HE2 TYR 46 0.591 7.523 -9.991 237 HH TYR 46 HH TYR 46 -2.021 6.353 -9.044 238 H GLY 47 HN GLY 47 5.204 1.814 -9.966 239 1HA GLY 47 HA2 GLY 47 7.385 0.914 -10.639 240 2HA GLY 47 HA1 GLY 47 7.656 2.424 -11.495 241 HA PRO 48 HA PRO 48 9.589 3.874 -7.781 242 1HB PRO 48 HB2 PRO 48 9.740 6.499 -8.284 243 2HB PRO 48 HB1 PRO 48 10.641 5.326 -9.252 244 1HG PRO 48 HG2 PRO 48 8.104 6.765 -9.896 245 2HG PRO 48 HG1 PRO 48 9.473 6.378 -10.952 246 1HD PRO 48 HD2 PRO 48 7.101 4.943 -10.817 247 2HD PRO 48 HD1 PRO 48 8.634 4.323 -11.458 248 H VAL 49 HN VAL 49 7.613 3.228 -6.527 249 HA VAL 49 HA VAL 49 5.622 5.198 -5.952 250 HB VAL 49 HB VAL 49 5.129 2.797 -5.783 251 1HG1 VAL 49 HG11 VAL 49 6.067 1.341 -4.269 252 2HG1 VAL 49 HG12 VAL 49 6.602 2.631 -3.195 253 3HG1 VAL 49 HG13 VAL 49 7.454 2.336 -4.709 254 1HG2 VAL 49 HG21 VAL 49 4.685 3.519 -2.993 255 2HG2 VAL 49 HG22 VAL 49 3.526 3.194 -4.280 256 3HG2 VAL 49 HG23 VAL 49 4.246 4.796 -4.128 Start of MODEL 7 1 H LEU 16 HN LEU 16 -4.119 4.759 6.069 2 HA LEU 16 HA LEU 16 -2.550 7.019 5.077 3 1HB LEU 16 HB2 LEU 16 -1.855 4.855 4.275 4 2HB LEU 16 HB1 LEU 16 -3.483 4.476 3.749 5 HG LEU 16 HG LEU 16 -3.342 6.234 2.034 6 1HD1 LEU 16 HD11 LEU 16 -1.903 7.893 2.425 7 2HD1 LEU 16 HD12 LEU 16 -0.675 6.812 1.766 8 3HD1 LEU 16 HD13 LEU 16 -0.921 6.908 3.509 9 1HD2 LEU 16 HD21 LEU 16 -1.451 5.137 0.694 10 2HD2 LEU 16 HD22 LEU 16 -2.794 4.121 1.216 11 3HD2 LEU 16 HD23 LEU 16 -1.263 4.076 2.090 12 1HN CGU 17 HN CGU 17 -3.430 8.701 4.081 13 HA CGU 17 HA CGU 17 -6.264 8.977 3.857 14 1HB CGU 17 HB1 CGU 17 -5.489 11.135 2.560 15 2HB CGU 17 HB2 CGU 17 -3.890 10.687 3.159 16 HG CGU 17 HG2 CGU 17 -4.780 10.646 5.464 17 HA PRO 18 HA PRO 18 -7.438 7.843 -0.254 18 1HB PRO 18 HB2 PRO 18 -7.436 10.725 -1.064 19 2HB PRO 18 HB1 PRO 18 -8.663 9.482 -1.339 20 1HG PRO 18 HG2 PRO 18 -8.997 11.297 0.572 21 2HG PRO 18 HG1 PRO 18 -9.466 9.607 0.837 22 1HD PRO 18 HD2 PRO 18 -7.129 11.114 1.895 23 2HD PRO 18 HD1 PRO 18 -8.052 9.794 2.638 24 H LYS 19 HN LYS 19 -5.433 6.881 -0.739 25 HA LYS 19 HA LYS 19 -3.232 8.319 -1.817 26 1HB LYS 19 HB2 LYS 19 -2.175 6.231 -2.131 27 2HB LYS 19 HB1 LYS 19 -3.130 6.061 -0.671 28 1HG LYS 19 HG2 LYS 19 -3.980 5.073 -3.388 29 2HG LYS 19 HG1 LYS 19 -3.192 4.083 -2.162 30 1HD LYS 19 HD2 LYS 19 -5.855 5.475 -1.867 31 2HD LYS 19 HD1 LYS 19 -5.615 3.755 -2.163 32 1HE LYS 19 HE2 LYS 19 -4.428 3.552 -0.032 33 2HE LYS 19 HE1 LYS 19 -4.662 5.273 0.265 34 1HZ LYS 19 HZ1 LYS 19 -6.317 4.084 1.459 35 2HZ LYS 19 HZ2 LYS 19 -6.762 3.185 0.098 36 3HZ LYS 19 HZ3 LYS 19 -7.093 4.843 0.161 37 H ARG 20 HN ARG 20 -6.125 7.025 -3.208 38 HA ARG 20 HA ARG 20 -5.344 6.584 -5.839 39 1HB ARG 20 HB2 ARG 20 -7.975 7.561 -4.734 40 2HB ARG 20 HB1 ARG 20 -7.738 7.063 -6.405 41 1HG ARG 20 HG2 ARG 20 -7.159 4.832 -5.708 42 2HG ARG 20 HG1 ARG 20 -7.244 5.308 -4.012 43 1HD ARG 20 HD2 ARG 20 -9.627 5.780 -4.258 44 2HD ARG 20 HD1 ARG 20 -9.546 5.335 -5.962 45 HE ARG 20 HE ARG 20 -9.754 3.166 -5.323 46 1HH1 ARG 20 HH11 ARG 20 -8.474 4.942 -2.582 47 2HH1 ARG 20 HH12 ARG 20 -8.414 3.550 -1.557 48 1HH2 ARG 20 HH21 ARG 20 -9.670 1.345 -3.963 49 2HH2 ARG 20 HH22 ARG 20 -9.094 1.509 -2.339 50 1HN CGU 21 HN CGU 21 -5.781 9.598 -4.143 51 HA CGU 21 HA CGU 21 -6.234 11.370 -6.241 52 1HB CGU 21 HB1 CGU 21 -4.575 11.745 -3.727 53 2HB CGU 21 HB2 CGU 21 -5.033 13.060 -4.813 54 HG CGU 21 HG2 CGU 21 -6.961 11.228 -3.362 55 H VAL 22 HN VAL 22 -3.223 9.951 -5.055 56 HA VAL 22 HA VAL 22 -1.606 11.278 -7.060 57 HB VAL 22 HB VAL 22 -0.839 9.070 -5.139 58 1HG1 VAL 22 HG11 VAL 22 0.803 10.906 -6.870 59 2HG1 VAL 22 HG12 VAL 22 0.723 9.145 -6.934 60 3HG1 VAL 22 HG13 VAL 22 1.472 9.944 -5.552 61 1HG2 VAL 22 HG21 VAL 22 0.184 10.891 -3.804 62 2HG2 VAL 22 HG22 VAL 22 -1.575 10.993 -3.888 63 3HG2 VAL 22 HG23 VAL 22 -0.582 12.064 -4.876 64 H CYS 23 HN CYS 23 -2.941 8.068 -6.422 65 HA CYS 23 HA CYS 23 -1.647 6.537 -8.319 66 1HB CYS 23 HB2 CYS 23 -4.564 6.342 -7.541 67 2HB CYS 23 HB1 CYS 23 -3.603 5.067 -8.282 68 1HN CGU 24 HN CGU 24 -4.286 8.828 -8.782 69 HA CGU 24 HA CGU 24 -5.122 8.129 -11.339 70 1HB CGU 24 HB1 CGU 24 -5.033 11.015 -11.031 71 2HB CGU 24 HB2 CGU 24 -5.608 10.242 -9.552 72 HG CGU 24 HG2 CGU 24 -7.483 10.732 -11.049 73 H LEU 25 HN LEU 25 -2.284 9.937 -10.314 74 HA LEU 25 HA LEU 25 -1.560 10.774 -12.964 75 1HB LEU 25 HB2 LEU 25 -0.042 10.776 -10.357 76 2HB LEU 25 HB1 LEU 25 0.622 11.388 -11.859 77 HG LEU 25 HG LEU 25 -0.160 13.234 -10.534 78 1HD1 LEU 25 HD11 LEU 25 -0.538 13.174 -13.045 79 2HD1 LEU 25 HD12 LEU 25 -1.471 14.353 -12.123 80 3HD1 LEU 25 HD13 LEU 25 -2.233 12.859 -12.672 81 1HD2 LEU 25 HD21 LEU 25 -2.956 12.151 -10.616 82 2HD2 LEU 25 HD22 LEU 25 -2.300 13.456 -9.626 83 3HD2 LEU 25 HD23 LEU 25 -1.857 11.783 -9.287 84 H ASN 26 HN ASN 26 -0.473 8.229 -10.726 85 HA ASN 26 HA ASN 26 1.190 7.108 -12.868 86 1HB ASN 26 HB2 ASN 26 2.187 5.692 -11.085 87 2HB ASN 26 HB1 ASN 26 2.384 7.415 -10.790 88 1HD2 ASN 26 HD21 ASN 26 1.573 4.533 -9.409 89 2HD2 ASN 26 HD22 ASN 26 0.705 5.115 -8.034 90 HA PRO 27 HA PRO 27 -2.353 4.422 -13.726 91 1HB PRO 27 HB2 PRO 27 -0.185 3.182 -15.363 92 2HB PRO 27 HB1 PRO 27 -1.849 3.576 -15.811 93 1HG PRO 27 HG2 PRO 27 0.146 5.121 -16.622 94 2HG PRO 27 HG1 PRO 27 -1.380 5.840 -16.075 95 1HD PRO 27 HD2 PRO 27 1.247 5.666 -14.669 96 2HD PRO 27 HD1 PRO 27 0.039 6.966 -14.653 97 H ASP 28 HN ASP 28 0.841 3.470 -12.604 98 HA ASP 28 HA ASP 28 0.571 0.740 -12.302 99 1HB ASP 28 HB2 ASP 28 1.923 2.664 -10.395 100 2HB ASP 28 HB1 ASP 28 2.189 0.925 -10.444 101 H CYS 29 HN CYS 29 -0.408 3.273 -9.989 102 HA CYS 29 HA CYS 29 -1.674 1.325 -8.258 103 1HB CYS 29 HB2 CYS 29 -0.529 3.215 -7.241 104 2HB CYS 29 HB1 CYS 29 -1.559 4.343 -8.113 105 H ASP 30 HN ASP 30 -2.644 3.766 -10.614 106 HA ASP 30 HA ASP 30 -5.377 3.889 -10.075 107 1HB ASP 30 HB2 ASP 30 -4.136 5.372 -11.659 108 2HB ASP 30 HB1 ASP 30 -4.075 4.038 -12.804 109 H GLU 31 HN GLU 31 -3.549 1.614 -12.083 110 HA GLU 31 HA GLU 31 -5.657 0.201 -13.223 111 1HB GLU 31 HB2 GLU 31 -3.312 -0.060 -13.904 112 2HB GLU 31 HB1 GLU 31 -2.951 -0.843 -12.372 113 1HG GLU 31 HG2 GLU 31 -4.472 -2.671 -12.952 114 2HG GLU 31 HG1 GLU 31 -4.818 -1.886 -14.492 115 H LEU 32 HN LEU 32 -4.195 -0.093 -10.023 116 HA LEU 32 HA LEU 32 -5.316 -2.535 -9.242 117 1HB LEU 32 HB2 LEU 32 -3.558 -1.335 -7.982 118 2HB LEU 32 HB1 LEU 32 -4.735 -0.123 -7.517 119 HG LEU 32 HG LEU 32 -6.027 -1.952 -6.359 120 1HD1 LEU 32 HD11 LEU 32 -5.157 -3.881 -7.482 121 2HD1 LEU 32 HD12 LEU 32 -4.727 -3.982 -5.775 122 3HD1 LEU 32 HD13 LEU 32 -3.516 -3.500 -6.962 123 1HD2 LEU 32 HD21 LEU 32 -4.496 -2.028 -4.421 124 2HD2 LEU 32 HD22 LEU 32 -4.675 -0.408 -5.094 125 3HD2 LEU 32 HD23 LEU 32 -3.222 -1.347 -5.433 126 H ALA 33 HN ALA 33 -6.492 0.752 -8.466 127 HA ALA 33 HA ALA 33 -8.920 0.008 -7.320 128 1HB ALA 33 HB1 ALA 33 -9.634 2.313 -7.723 129 2HB ALA 33 HB2 ALA 33 -8.268 2.542 -8.814 130 3HB ALA 33 HB3 ALA 33 -7.985 2.240 -7.100 131 H ASP 34 HN ASP 34 -8.024 0.153 -10.680 132 HA ASP 34 HA ASP 34 -10.434 0.544 -11.958 133 1HB ASP 34 HB2 ASP 34 -8.199 0.316 -13.058 134 2HB ASP 34 HB1 ASP 34 -8.299 -1.422 -12.812 135 H HIS 35 HN HIS 35 -9.058 -2.662 -11.107 136 HA HIS 35 HA HIS 35 -11.761 -3.770 -11.370 137 1HB HIS 35 HB2 HIS 35 -10.690 -5.978 -11.537 138 2HB HIS 35 HB1 HIS 35 -10.129 -4.867 -12.775 139 HD1 HIS 35 HD1 HIS 35 -8.317 -7.084 -12.510 140 HD2 HIS 35 HD2 HIS 35 -8.068 -3.880 -9.885 141 HE1 HIS 35 HE1 HIS 35 -5.988 -7.165 -11.567 142 HE2 HIS 35 HE2 HIS 35 -5.894 -5.272 -9.910 143 H ILE 36 HN ILE 36 -9.459 -2.983 -8.940 144 HA ILE 36 HA ILE 36 -11.198 -4.223 -6.951 145 HB ILE 36 HB ILE 36 -9.317 -5.141 -5.666 146 1HG1 ILE 36 HG12 ILE 36 -7.677 -4.466 -8.119 147 2HG1 ILE 36 HG11 ILE 36 -7.499 -3.751 -6.522 148 1HG2 ILE 36 HG21 ILE 36 -10.659 -6.510 -7.261 149 2HG2 ILE 36 HG22 ILE 36 -9.044 -7.140 -6.935 150 3HG2 ILE 36 HG23 ILE 36 -9.371 -6.291 -8.447 151 1HD1 ILE 36 HD11 ILE 36 -6.120 -5.361 -5.906 152 2HD1 ILE 36 HD12 ILE 36 -6.176 -5.979 -7.557 153 3HD1 ILE 36 HD13 ILE 36 -7.294 -6.602 -6.344 154 H GLY 37 HN GLY 37 -11.725 -2.737 -5.503 155 1HA GLY 37 HA2 GLY 37 -10.255 -0.267 -5.314 156 2HA GLY 37 HA1 GLY 37 -11.714 -0.685 -4.432 157 H PHE 38 HN PHE 38 -8.255 -1.570 -4.569 158 HA PHE 38 HA PHE 38 -8.261 -1.631 -1.624 159 1HB PHE 38 HB2 PHE 38 -6.521 -3.356 -3.397 160 2HB PHE 38 HB1 PHE 38 -6.660 -3.437 -1.647 161 HD1 PHE 38 HD1 PHE 38 -9.610 -3.333 -1.333 162 HD2 PHE 38 HD2 PHE 38 -7.172 -5.458 -4.093 163 HE1 PHE 38 HE1 PHE 38 -11.357 -5.052 -1.546 164 HE2 PHE 38 HE2 PHE 38 -8.915 -7.177 -4.318 165 HZ PHE 38 HZ PHE 38 -11.012 -6.977 -3.043 166 H GLN 39 HN GLN 39 -5.719 -1.744 -0.981 167 HA GLN 39 HA GLN 39 -4.255 0.292 -2.496 168 1HB GLN 39 HB2 GLN 39 -3.658 1.461 -0.396 169 2HB GLN 39 HB1 GLN 39 -5.381 1.528 -0.737 170 1HG GLN 39 HG2 GLN 39 -5.719 -0.335 0.862 171 2HG GLN 39 HG1 GLN 39 -4.004 -0.253 1.261 172 1HE2 GLN 39 HE21 GLN 39 -6.969 0.657 2.269 173 2HE2 GLN 39 HE22 GLN 39 -6.558 2.057 3.192 174 H GLU 40 HN GLU 40 -3.845 -2.461 -2.524 175 HA GLU 40 HA GLU 40 -1.606 -3.027 -0.751 176 1HB GLU 40 HB2 GLU 40 -1.693 -5.294 -1.731 177 2HB GLU 40 HB1 GLU 40 -3.234 -4.794 -1.050 178 1HG GLU 40 HG2 GLU 40 -4.011 -4.225 -3.329 179 2HG GLU 40 HG1 GLU 40 -2.491 -4.846 -3.968 180 H ALA 41 HN ALA 41 -2.243 -2.762 -4.245 181 HA ALA 41 HA ALA 41 0.352 -3.328 -5.140 182 1HB ALA 41 HB1 ALA 41 -1.584 -1.455 -6.489 183 2HB ALA 41 HB2 ALA 41 -1.721 -3.212 -6.549 184 3HB ALA 41 HB3 ALA 41 -0.307 -2.415 -7.238 185 H TYR 42 HN TYR 42 -1.172 -0.262 -4.234 186 HA TYR 42 HA TYR 42 0.659 1.606 -4.991 187 1HB TYR 42 HB2 TYR 42 -1.449 2.126 -3.856 188 2HB TYR 42 HB1 TYR 42 -0.817 1.474 -2.352 189 HD1 TYR 42 HD1 TYR 42 1.366 2.638 -1.454 190 HD2 TYR 42 HD2 TYR 42 -1.317 4.397 -4.249 191 HE1 TYR 42 HE1 TYR 42 2.197 4.867 -0.841 192 HE2 TYR 42 HE2 TYR 42 -0.492 6.631 -3.645 193 HH TYR 42 HH TYR 42 1.498 7.662 -2.651 194 H ARG 43 HN ARG 43 0.868 -0.472 -2.121 195 HA ARG 43 HA ARG 43 3.172 0.655 -0.978 196 1HB ARG 43 HB2 ARG 43 2.243 -2.218 -0.844 197 2HB ARG 43 HB1 ARG 43 3.374 -1.448 0.258 198 1HG ARG 43 HG2 ARG 43 0.490 -0.662 -0.100 199 2HG ARG 43 HG1 ARG 43 1.125 -1.662 1.206 200 1HD ARG 43 HD2 ARG 43 2.519 0.182 1.965 201 2HD ARG 43 HD1 ARG 43 1.950 1.183 0.630 202 HE ARG 43 HE ARG 43 0.633 0.740 3.103 203 1HH1 ARG 43 HH11 ARG 43 0.022 1.297 -0.302 204 2HH1 ARG 43 HH12 ARG 43 -1.581 1.893 -0.040 205 1HH2 ARG 43 HH21 ARG 43 -1.477 1.525 3.436 206 2HH2 ARG 43 HH22 ARG 43 -2.432 2.024 2.081 207 H ARG 44 HN ARG 44 2.794 -1.838 -3.441 208 HA ARG 44 HA ARG 44 5.353 -2.885 -3.522 209 1HB ARG 44 HB2 ARG 44 3.532 -2.419 -5.888 210 2HB ARG 44 HB1 ARG 44 4.865 -3.561 -5.815 211 1HG ARG 44 HG2 ARG 44 2.340 -3.667 -4.177 212 2HG ARG 44 HG1 ARG 44 2.747 -4.699 -5.548 213 1HD ARG 44 HD2 ARG 44 4.654 -5.595 -4.313 214 2HD ARG 44 HD1 ARG 44 4.268 -4.549 -2.947 215 HE ARG 44 HE ARG 44 2.011 -6.094 -3.536 216 1HH1 ARG 44 HH11 ARG 44 5.260 -6.528 -2.306 217 2HH1 ARG 44 HH12 ARG 44 4.847 -7.916 -1.357 218 1HH2 ARG 44 HH21 ARG 44 1.472 -7.920 -2.283 219 2HH2 ARG 44 HH22 ARG 44 2.696 -8.707 -1.344 220 H PHE 45 HN PHE 45 4.153 0.070 -5.093 221 HA PHE 45 HA PHE 45 6.916 0.609 -5.942 222 1HB PHE 45 HB2 PHE 45 5.679 2.288 -7.546 223 2HB PHE 45 HB1 PHE 45 5.839 0.588 -7.956 224 HD1 PHE 45 HD1 PHE 45 3.854 -0.942 -7.312 225 HD2 PHE 45 HD2 PHE 45 3.601 3.295 -7.574 226 HE1 PHE 45 HE1 PHE 45 1.416 -1.109 -7.568 227 HE2 PHE 45 HE2 PHE 45 1.160 3.134 -7.827 228 HZ PHE 45 HZ PHE 45 0.067 0.930 -7.826 229 H TYR 46 HN TYR 46 5.493 1.298 -3.339 230 HA TYR 46 HA TYR 46 6.411 4.074 -3.290 231 1HB TYR 46 HB2 TYR 46 3.703 3.134 -2.380 232 2HB TYR 46 HB1 TYR 46 4.461 4.544 -1.654 233 HD1 TYR 46 HD1 TYR 46 3.455 3.164 -4.979 234 HD2 TYR 46 HD2 TYR 46 4.175 6.629 -2.619 235 HE1 TYR 46 HE1 TYR 46 2.588 4.578 -6.793 236 HE2 TYR 46 HE2 TYR 46 3.309 8.049 -4.428 237 HH TYR 46 HH TYR 46 3.104 7.348 -7.379 238 H GLY 47 HN GLY 47 4.888 1.771 -1.014 239 1HA GLY 47 HA2 GLY 47 6.159 0.579 0.640 240 2HA GLY 47 HA1 GLY 47 7.345 1.873 0.604 241 HA PRO 48 HA PRO 48 5.415 3.355 4.315 242 1HB PRO 48 HB2 PRO 48 6.381 5.906 4.305 243 2HB PRO 48 HB1 PRO 48 7.347 4.502 4.770 244 1HG PRO 48 HG2 PRO 48 7.266 5.967 2.162 245 2HG PRO 48 HG1 PRO 48 8.666 5.343 3.053 246 1HD PRO 48 HD2 PRO 48 7.614 4.050 0.930 247 2HD PRO 48 HD1 PRO 48 8.346 3.186 2.297 248 H VAL 49 HN VAL 49 3.502 4.269 4.823 249 HA VAL 49 HA VAL 49 2.355 6.279 3.017 250 HB VAL 49 HB VAL 49 0.160 5.173 3.093 251 1HG1 VAL 49 HG11 VAL 49 2.141 3.179 2.048 252 2HG1 VAL 49 HG12 VAL 49 1.937 4.760 1.294 253 3HG1 VAL 49 HG13 VAL 49 0.577 3.642 1.380 254 1HG2 VAL 49 HG21 VAL 49 1.662 2.968 4.498 255 2HG2 VAL 49 HG22 VAL 49 0.051 2.788 3.806 256 3HG2 VAL 49 HG23 VAL 49 0.318 3.918 5.132 Start of MODEL 8 1 H LEU 16 HN LEU 16 9.604 -1.839 0.109 2 HA LEU 16 HA LEU 16 9.427 0.064 -2.034 3 1HB LEU 16 HB2 LEU 16 8.101 -1.923 -2.182 4 2HB LEU 16 HB1 LEU 16 7.386 -1.635 -0.608 5 HG LEU 16 HG LEU 16 6.193 0.320 -1.503 6 1HD1 LEU 16 HD11 LEU 16 6.391 1.116 -3.626 7 2HD1 LEU 16 HD12 LEU 16 6.876 -0.444 -4.288 8 3HD1 LEU 16 HD13 LEU 16 8.036 0.529 -3.385 9 1HD2 LEU 16 HD21 LEU 16 4.740 -1.408 -1.615 10 2HD2 LEU 16 HD22 LEU 16 5.841 -2.420 -2.549 11 3HD2 LEU 16 HD23 LEU 16 4.922 -1.145 -3.350 12 1HN CGU 17 HN CGU 17 8.122 -0.169 1.258 13 HA CGU 17 HA CGU 17 7.142 1.277 2.661 14 1HB CGU 17 HB1 CGU 17 9.456 2.060 2.825 15 2HB CGU 17 HB2 CGU 17 8.328 3.390 3.062 16 HG CGU 17 HG2 CGU 17 9.733 2.788 0.450 17 HA PRO 18 HA PRO 18 3.751 3.525 1.103 18 1HB PRO 18 HB2 PRO 18 3.656 5.768 2.710 19 2HB PRO 18 HB1 PRO 18 3.049 4.174 3.167 20 1HG PRO 18 HG2 PRO 18 5.657 5.474 3.838 21 2HG PRO 18 HG1 PRO 18 4.591 4.499 4.868 22 1HD PRO 18 HD2 PRO 18 6.814 3.467 3.793 23 2HD PRO 18 HD1 PRO 18 5.336 2.499 3.957 24 H LYS 19 HN LYS 19 4.275 4.168 -0.942 25 HA LYS 19 HA LYS 19 5.362 6.893 -1.232 26 1HB LYS 19 HB2 LYS 19 6.371 6.205 -3.362 27 2HB LYS 19 HB1 LYS 19 7.001 5.261 -2.020 28 1HG LYS 19 HG2 LYS 19 5.657 3.374 -2.631 29 2HG LYS 19 HG1 LYS 19 4.817 4.315 -3.864 30 1HD LYS 19 HD2 LYS 19 6.487 2.889 -4.894 31 2HD LYS 19 HD1 LYS 19 6.940 4.584 -5.079 32 1HE LYS 19 HE2 LYS 19 8.478 4.367 -3.177 33 2HE LYS 19 HE1 LYS 19 8.032 2.669 -3.019 34 1HZ LYS 19 HZ1 LYS 19 8.763 2.820 -5.602 35 2HZ LYS 19 HZ2 LYS 19 9.785 2.338 -4.344 36 3HZ LYS 19 HZ3 LYS 19 9.821 3.936 -4.895 37 H ARG 20 HN ARG 20 2.544 5.832 -1.071 38 HA ARG 20 HA ARG 20 1.465 6.117 -3.717 39 1HB ARG 20 HB2 ARG 20 0.282 5.720 -0.992 40 2HB ARG 20 HB1 ARG 20 -0.749 6.189 -2.335 41 1HG ARG 20 HG2 ARG 20 -0.738 3.771 -1.966 42 2HG ARG 20 HG1 ARG 20 -0.126 4.206 -3.561 43 1HD ARG 20 HD2 ARG 20 2.170 3.939 -2.745 44 2HD ARG 20 HD1 ARG 20 1.551 3.497 -1.154 45 HE ARG 20 HE ARG 20 0.390 1.764 -2.981 46 1HH1 ARG 20 HH11 ARG 20 3.609 2.513 -1.836 47 2HH1 ARG 20 HH12 ARG 20 4.215 0.919 -2.124 48 1HH2 ARG 20 HH21 ARG 20 1.191 -0.330 -3.364 49 2HH2 ARG 20 HH22 ARG 20 2.842 -0.698 -2.993 50 1HN CGU 21 HN CGU 21 2.672 8.275 -3.859 51 HA CGU 21 HA CGU 21 1.321 10.525 -2.626 52 1HB CGU 21 HB1 CGU 21 3.537 10.430 -4.700 53 2HB CGU 21 HB2 CGU 21 2.940 11.899 -3.921 54 HG CGU 21 HG2 CGU 21 4.172 9.528 -2.490 55 H VAL 22 HN VAL 22 1.696 9.084 -5.832 56 HA VAL 22 HA VAL 22 -0.231 10.913 -7.018 57 HB VAL 22 HB VAL 22 1.162 8.527 -8.251 58 1HG1 VAL 22 HG11 VAL 22 -0.556 10.711 -9.388 59 2HG1 VAL 22 HG12 VAL 22 -0.719 8.964 -9.573 60 3HG1 VAL 22 HG13 VAL 22 0.594 9.818 -10.384 61 1HG2 VAL 22 HG21 VAL 22 2.580 10.280 -9.355 62 2HG2 VAL 22 HG22 VAL 22 2.840 10.095 -7.621 63 3HG2 VAL 22 HG23 VAL 22 1.890 11.450 -8.229 64 H CYS 23 HN CYS 23 0.032 7.532 -6.036 65 HA CYS 23 HA CYS 23 -2.326 6.533 -7.136 66 1HB CYS 23 HB2 CYS 23 -0.555 5.139 -6.108 67 2HB CYS 23 HB1 CYS 23 -1.039 5.723 -4.520 68 1HN CGU 24 HN CGU 24 -1.777 8.233 -4.075 69 HA CGU 24 HA CGU 24 -4.347 7.890 -2.981 70 1HB CGU 24 HB1 CGU 24 -3.383 10.419 -2.142 71 2HB CGU 24 HB2 CGU 24 -1.966 9.389 -2.347 72 HG CGU 24 HG2 CGU 24 -2.841 9.197 -0.070 73 H LEU 25 HN LEU 25 -3.037 10.292 -5.212 74 HA LEU 25 HA LEU 25 -5.183 12.096 -5.188 75 1HB LEU 25 HB2 LEU 25 -2.949 12.542 -6.168 76 2HB LEU 25 HB1 LEU 25 -3.326 11.444 -7.479 77 HG LEU 25 HG LEU 25 -3.547 13.839 -8.086 78 1HD1 LEU 25 HD11 LEU 25 -5.004 11.822 -8.971 79 2HD1 LEU 25 HD12 LEU 25 -5.302 13.480 -9.491 80 3HD1 LEU 25 HD13 LEU 25 -6.308 12.756 -8.237 81 1HD2 LEU 25 HD21 LEU 25 -4.430 14.471 -5.786 82 2HD2 LEU 25 HD22 LEU 25 -5.998 13.893 -6.351 83 3HD2 LEU 25 HD23 LEU 25 -5.201 15.233 -7.176 84 H ASN 26 HN ASN 26 -4.505 9.433 -7.488 85 HA ASN 26 HA ASN 26 -7.138 9.714 -8.645 86 1HB ASN 26 HB2 ASN 26 -6.450 7.854 -10.129 87 2HB ASN 26 HB1 ASN 26 -5.310 9.193 -10.141 88 1HD2 ASN 26 HD21 ASN 26 -3.237 8.747 -9.823 89 2HD2 ASN 26 HD22 ASN 26 -2.612 7.252 -9.227 90 HA PRO 27 HA PRO 27 -9.062 6.998 -5.677 91 1HB PRO 27 HB2 PRO 27 -11.256 6.937 -7.654 92 2HB PRO 27 HB1 PRO 27 -11.274 7.460 -5.967 93 1HG PRO 27 HG2 PRO 27 -11.426 9.228 -7.967 94 2HG PRO 27 HG1 PRO 27 -10.527 9.590 -6.481 95 1HD PRO 27 HD2 PRO 27 -9.494 8.740 -9.162 96 2HD PRO 27 HD1 PRO 27 -8.859 9.968 -8.046 97 H ASP 28 HN ASP 28 -8.450 6.228 -9.008 98 HA ASP 28 HA ASP 28 -9.560 3.746 -9.363 99 1HB ASP 28 HB2 ASP 28 -6.812 4.656 -10.251 100 2HB ASP 28 HB1 ASP 28 -7.668 3.258 -10.892 101 H CYS 29 HN CYS 29 -6.195 4.220 -8.238 102 HA CYS 29 HA CYS 29 -6.168 1.522 -7.155 103 1HB CYS 29 HB2 CYS 29 -3.794 1.941 -6.714 104 2HB CYS 29 HB1 CYS 29 -4.205 2.334 -8.380 105 H ASP 30 HN ASP 30 -6.369 4.828 -6.017 106 HA ASP 30 HA ASP 30 -5.605 4.617 -3.377 107 1HB ASP 30 HB2 ASP 30 -6.330 6.710 -4.564 108 2HB ASP 30 HB1 ASP 30 -7.996 6.187 -4.367 109 H GLU 31 HN GLU 31 -8.664 3.648 -4.862 110 HA GLU 31 HA GLU 31 -9.837 2.894 -2.333 111 1HB GLU 31 HB2 GLU 31 -11.170 3.814 -4.231 112 2HB GLU 31 HB1 GLU 31 -10.829 2.347 -5.135 113 1HG GLU 31 HG2 GLU 31 -12.004 1.027 -3.455 114 2HG GLU 31 HG1 GLU 31 -12.329 2.490 -2.528 115 H LEU 32 HN LEU 32 -7.545 1.543 -2.391 116 HA LEU 32 HA LEU 32 -7.917 -1.099 -3.530 117 1HB LEU 32 HB2 LEU 32 -5.690 -0.029 -3.520 118 2HB LEU 32 HB1 LEU 32 -5.709 -0.025 -1.768 119 HG LEU 32 HG LEU 32 -5.745 -2.497 -1.779 120 1HD1 LEU 32 HD11 LEU 32 -6.024 -2.041 -4.676 121 2HD1 LEU 32 HD12 LEU 32 -6.601 -3.370 -3.671 122 3HD1 LEU 32 HD13 LEU 32 -4.919 -3.330 -4.199 123 1HD2 LEU 32 HD21 LEU 32 -3.419 -2.788 -2.645 124 2HD2 LEU 32 HD22 LEU 32 -3.625 -1.436 -1.531 125 3HD2 LEU 32 HD23 LEU 32 -3.506 -1.139 -3.266 126 H ALA 33 HN ALA 33 -7.955 0.473 -0.369 127 HA ALA 33 HA ALA 33 -8.072 -1.777 1.280 128 1HB ALA 33 HB1 ALA 33 -7.718 0.479 2.131 129 2HB ALA 33 HB2 ALA 33 -9.068 -0.304 2.953 130 3HB ALA 33 HB3 ALA 33 -9.375 0.907 1.708 131 H ASP 34 HN ASP 34 -10.452 -0.515 -0.875 132 HA ASP 34 HA ASP 34 -12.868 -1.171 0.206 133 1HB ASP 34 HB2 ASP 34 -12.478 -0.147 -2.040 134 2HB ASP 34 HB1 ASP 34 -12.049 -1.738 -2.652 135 H HIS 35 HN HIS 35 -10.642 -3.421 -1.456 136 HA HIS 35 HA HIS 35 -12.195 -5.621 -0.273 137 1HB HIS 35 HB2 HIS 35 -11.589 -7.027 -2.206 138 2HB HIS 35 HB1 HIS 35 -12.565 -5.637 -2.650 139 HD1 HIS 35 HD1 HIS 35 -11.271 -6.719 -4.970 140 HD2 HIS 35 HD2 HIS 35 -9.181 -4.177 -2.441 141 HE1 HIS 35 HE1 HIS 35 -9.381 -5.800 -6.349 142 HE2 HIS 35 HE2 HIS 35 -8.203 -4.176 -4.829 143 H ILE 36 HN ILE 36 -9.016 -4.254 -0.585 144 HA ILE 36 HA ILE 36 -8.022 -6.397 1.115 145 HB ILE 36 HB ILE 36 -5.948 -6.698 -0.198 146 1HG1 ILE 36 HG12 ILE 36 -7.421 -5.043 -2.256 147 2HG1 ILE 36 HG11 ILE 36 -5.880 -4.669 -1.498 148 1HG2 ILE 36 HG21 ILE 36 -7.966 -8.197 -0.349 149 2HG2 ILE 36 HG22 ILE 36 -6.847 -8.273 -1.709 150 3HG2 ILE 36 HG23 ILE 36 -8.358 -7.376 -1.860 151 1HD1 ILE 36 HD11 ILE 36 -6.501 -6.641 -3.634 152 2HD1 ILE 36 HD12 ILE 36 -5.105 -6.889 -2.585 153 3HD1 ILE 36 HD13 ILE 36 -5.230 -5.422 -3.556 154 H GLY 37 HN GLY 37 -6.862 -3.470 -0.614 155 1HA GLY 37 HA2 GLY 37 -5.694 -1.649 0.135 156 2HA GLY 37 HA1 GLY 37 -6.358 -1.998 1.721 157 H PHE 38 HN PHE 38 -3.936 -3.520 -0.450 158 HA PHE 38 HA PHE 38 -2.179 -3.761 1.897 159 1HB PHE 38 HB2 PHE 38 -2.391 -5.456 -0.586 160 2HB PHE 38 HB1 PHE 38 -0.998 -5.535 0.485 161 HD1 PHE 38 HD1 PHE 38 -4.718 -5.553 0.798 162 HD2 PHE 38 HD2 PHE 38 -1.007 -7.248 1.992 163 HE1 PHE 38 HE1 PHE 38 -5.917 -7.157 2.224 164 HE2 PHE 38 HE2 PHE 38 -2.196 -8.858 3.423 165 HZ PHE 38 HZ PHE 38 -4.656 -8.815 3.540 166 H GLN 39 HN GLN 39 -1.135 -4.106 -1.458 167 HA GLN 39 HA GLN 39 -0.056 -1.505 -1.760 168 1HB GLN 39 HB2 GLN 39 2.359 -2.120 -1.542 169 2HB GLN 39 HB1 GLN 39 1.482 -2.122 -0.018 170 1HG GLN 39 HG2 GLN 39 1.319 -4.539 -0.083 171 2HG GLN 39 HG1 GLN 39 2.121 -4.569 -1.652 172 1HE2 GLN 39 HE21 GLN 39 2.571 -4.961 1.587 173 2HE2 GLN 39 HE22 GLN 39 4.277 -4.703 1.671 174 H GLU 40 HN GLU 40 -1.524 -3.172 -3.438 175 HA GLU 40 HA GLU 40 0.444 -3.914 -5.501 176 1HB GLU 40 HB2 GLU 40 -1.228 -5.464 -6.400 177 2HB GLU 40 HB1 GLU 40 -0.829 -5.838 -4.730 178 1HG GLU 40 HG2 GLU 40 -2.888 -4.753 -3.991 179 2HG GLU 40 HG1 GLU 40 -3.286 -4.370 -5.665 180 H ALA 41 HN ALA 41 -2.586 -2.219 -4.881 181 HA ALA 41 HA ALA 41 -3.425 -1.581 -7.419 182 1HB ALA 41 HB1 ALA 41 -4.738 0.063 -6.470 183 2HB ALA 41 HB2 ALA 41 -3.514 0.499 -5.277 184 3HB ALA 41 HB3 ALA 41 -4.424 -1.000 -5.099 185 H TYR 42 HN TYR 42 -0.950 0.086 -5.497 186 HA TYR 42 HA TYR 42 -0.470 2.205 -7.291 187 1HB TYR 42 HB2 TYR 42 0.267 2.257 -4.963 188 2HB TYR 42 HB1 TYR 42 1.366 0.917 -5.261 189 HD1 TYR 42 HD1 TYR 42 3.200 1.342 -7.086 190 HD2 TYR 42 HD2 TYR 42 1.053 4.426 -5.092 191 HE1 TYR 42 HE1 TYR 42 4.987 2.935 -7.638 192 HE2 TYR 42 HE2 TYR 42 2.830 6.028 -5.640 193 HH TYR 42 HH TYR 42 4.638 6.317 -7.225 194 H ARG 43 HN ARG 43 0.975 -1.009 -6.991 195 HA ARG 43 HA ARG 43 2.980 -0.661 -8.959 196 1HB ARG 43 HB2 ARG 43 1.675 -3.201 -7.969 197 2HB ARG 43 HB1 ARG 43 3.159 -3.119 -8.907 198 1HG ARG 43 HG2 ARG 43 4.247 -1.899 -7.094 199 2HG ARG 43 HG1 ARG 43 2.755 -1.963 -6.155 200 1HD ARG 43 HD2 ARG 43 4.316 -3.690 -5.430 201 2HD ARG 43 HD1 ARG 43 2.864 -4.402 -6.130 202 HE ARG 43 HE ARG 43 4.192 -5.399 -7.681 203 1HH1 ARG 43 HH11 ARG 43 5.940 -2.628 -6.433 204 2HH1 ARG 43 HH12 ARG 43 7.341 -2.927 -7.404 205 1HH2 ARG 43 HH21 ARG 43 6.045 -5.783 -8.948 206 2HH2 ARG 43 HH22 ARG 43 7.404 -4.715 -8.827 207 H ARG 44 HN ARG 44 -0.409 -1.442 -9.164 208 HA ARG 44 HA ARG 44 -0.581 -2.781 -11.577 209 1HB ARG 44 HB2 ARG 44 -2.480 -0.703 -10.478 210 2HB ARG 44 HB1 ARG 44 -2.855 -1.827 -11.775 211 1HG ARG 44 HG2 ARG 44 -2.600 -3.703 -10.258 212 2HG ARG 44 HG1 ARG 44 -2.150 -2.604 -8.954 213 1HD ARG 44 HD2 ARG 44 -4.353 -1.514 -9.151 214 2HD ARG 44 HD1 ARG 44 -4.797 -2.683 -10.393 215 HE ARG 44 HE ARG 44 -3.998 -4.100 -8.122 216 1HH1 ARG 44 HH11 ARG 44 -6.581 -1.949 -9.103 217 2HH1 ARG 44 HH12 ARG 44 -7.736 -2.643 -8.017 218 1HH2 ARG 44 HH21 ARG 44 -5.526 -5.009 -6.692 219 2HH2 ARG 44 HH22 ARG 44 -7.138 -4.380 -6.650 220 H PHE 45 HN PHE 45 -0.093 0.669 -11.018 221 HA PHE 45 HA PHE 45 0.174 1.002 -13.926 222 1HB PHE 45 HB2 PHE 45 -0.647 3.300 -13.720 223 2HB PHE 45 HB1 PHE 45 -1.841 2.135 -13.172 224 HD1 PHE 45 HD1 PHE 45 -1.534 1.624 -10.488 225 HD2 PHE 45 HD2 PHE 45 -0.544 5.227 -12.525 226 HE1 PHE 45 HE1 PHE 45 -1.766 2.870 -8.387 227 HE2 PHE 45 HE2 PHE 45 -0.777 6.480 -10.423 228 HZ PHE 45 HZ PHE 45 -1.387 5.303 -8.350 229 H TYR 46 HN TYR 46 2.232 0.341 -11.950 230 HA TYR 46 HA TYR 46 4.085 2.501 -12.616 231 1HB TYR 46 HB2 TYR 46 3.448 1.548 -9.861 232 2HB TYR 46 HB1 TYR 46 5.121 1.946 -10.232 233 HD1 TYR 46 HD1 TYR 46 1.673 3.364 -10.358 234 HD2 TYR 46 HD2 TYR 46 5.848 4.149 -10.138 235 HE1 TYR 46 HE1 TYR 46 1.206 5.748 -9.984 236 HE2 TYR 46 HE2 TYR 46 5.388 6.532 -9.762 237 HH TYR 46 HH TYR 46 2.887 8.059 -10.485 238 H GLY 47 HN GLY 47 4.079 -0.600 -10.827 239 1HA GLY 47 HA2 GLY 47 5.083 -2.605 -11.526 240 2HA GLY 47 HA1 GLY 47 5.910 -1.725 -12.801 241 HA PRO 48 HA PRO 48 9.582 -2.163 -10.330 242 1HB PRO 48 HB2 PRO 48 10.544 0.231 -11.780 243 2HB PRO 48 HB1 PRO 48 11.243 -1.389 -11.694 244 1HG PRO 48 HG2 PRO 48 10.041 -0.518 -13.917 245 2HG PRO 48 HG1 PRO 48 9.895 -2.205 -13.390 246 1HD PRO 48 HD2 PRO 48 7.932 0.041 -13.128 247 2HD PRO 48 HD1 PRO 48 7.647 -1.662 -13.545 248 H VAL 49 HN VAL 49 10.012 -1.444 -8.336 249 HA VAL 49 HA VAL 49 9.489 1.384 -7.702 250 HB VAL 49 HB VAL 49 8.669 0.729 -5.477 251 1HG1 VAL 49 HG11 VAL 49 7.144 -0.522 -7.758 252 2HG1 VAL 49 HG12 VAL 49 7.071 1.167 -7.257 253 3HG1 VAL 49 HG13 VAL 49 6.473 -0.098 -6.184 254 1HG2 VAL 49 HG21 VAL 49 9.123 -2.037 -6.540 255 2HG2 VAL 49 HG22 VAL 49 7.910 -1.734 -5.298 256 3HG2 VAL 49 HG23 VAL 49 9.602 -1.346 -4.989 Start of MODEL 9 1 H LEU 16 HN LEU 16 -3.136 -7.462 1.568 2 HA LEU 16 HA LEU 16 -2.870 -5.764 -0.779 3 1HB LEU 16 HB2 LEU 16 -4.971 -5.047 0.296 4 2HB LEU 16 HB1 LEU 16 -4.100 -4.761 1.790 5 HG LEU 16 HG LEU 16 -2.767 -3.010 0.649 6 1HD1 LEU 16 HD11 LEU 16 -4.281 -4.012 -1.672 7 2HD1 LEU 16 HD12 LEU 16 -2.680 -3.280 -1.586 8 3HD1 LEU 16 HD13 LEU 16 -4.117 -2.260 -1.553 9 1HD2 LEU 16 HD21 LEU 16 -4.548 -1.348 0.551 10 2HD2 LEU 16 HD22 LEU 16 -4.766 -2.428 1.928 11 3HD2 LEU 16 HD23 LEU 16 -5.755 -2.633 0.482 12 1HN CGU 17 HN CGU 17 -2.293 -5.912 2.743 13 HA CGU 17 HA CGU 17 -0.400 -5.679 3.978 14 1HB CGU 17 HB1 CGU 17 1.439 -5.278 1.682 15 2HB CGU 17 HB2 CGU 17 0.580 -6.820 1.728 16 HG CGU 17 HG2 CGU 17 1.364 -7.167 4.049 17 HA PRO 18 HA PRO 18 -0.568 -1.184 3.848 18 1HB PRO 18 HB2 PRO 18 0.298 -0.805 6.398 19 2HB PRO 18 HB1 PRO 18 -1.363 -1.257 6.001 20 1HG PRO 18 HG2 PRO 18 0.900 -2.984 6.925 21 2HG PRO 18 HG1 PRO 18 -0.800 -3.001 7.429 22 1HD PRO 18 HD2 PRO 18 0.209 -4.778 5.656 23 2HD PRO 18 HD1 PRO 18 -1.468 -4.202 5.579 24 H LYS 19 HN LYS 19 1.140 -0.984 2.330 25 HA LYS 19 HA LYS 19 3.665 -0.161 3.539 26 1HB LYS 19 HB2 LYS 19 4.995 -1.422 1.898 27 2HB LYS 19 HB1 LYS 19 4.056 -2.489 2.933 28 1HG LYS 19 HG2 LYS 19 2.376 -2.695 1.126 29 2HG LYS 19 HG1 LYS 19 3.420 -1.721 0.090 30 1HD LYS 19 HD2 LYS 19 4.160 -4.364 1.346 31 2HD LYS 19 HD1 LYS 19 3.688 -4.122 -0.336 32 1HE LYS 19 HE2 LYS 19 5.624 -2.691 -0.691 33 2HE LYS 19 HE1 LYS 19 6.082 -2.867 1.002 34 1HZ LYS 19 HZ1 LYS 19 7.326 -4.328 -0.541 35 2HZ LYS 19 HZ2 LYS 19 5.884 -5.134 -0.903 36 3HZ LYS 19 HZ3 LYS 19 6.503 -5.176 0.670 37 H ARG 20 HN ARG 20 1.403 1.232 2.289 38 HA ARG 20 HA ARG 20 2.516 2.199 -0.226 39 1HB ARG 20 HB2 ARG 20 -0.142 2.456 1.125 40 2HB ARG 20 HB1 ARG 20 0.318 3.629 -0.099 41 1HG ARG 20 HG2 ARG 20 -1.006 1.859 -1.073 42 2HG ARG 20 HG1 ARG 20 0.635 1.823 -1.714 43 1HD ARG 20 HD2 ARG 20 1.173 0.030 -0.077 44 2HD ARG 20 HD1 ARG 20 -0.522 0.017 0.408 45 HE ARG 20 HE ARG 20 0.597 -1.259 -1.852 46 1HH1 ARG 20 HH11 ARG 20 -2.291 0.442 -0.821 47 2HH1 ARG 20 HH12 ARG 20 -3.289 -0.271 -2.041 48 1HH2 ARG 20 HH21 ARG 20 -0.726 -2.188 -3.451 49 2HH2 ARG 20 HH22 ARG 20 -2.403 -1.764 -3.531 50 1HN CGU 21 HN CGU 21 4.342 2.992 1.296 51 HA CGU 21 HA CGU 21 3.851 5.399 2.774 52 1HB CGU 21 HB1 CGU 21 6.406 4.077 1.819 53 2HB CGU 21 HB2 CGU 21 6.383 5.557 2.783 54 HG CGU 21 HG2 CGU 21 5.152 2.911 3.600 55 H VAL 22 HN VAL 22 5.196 4.610 -0.403 56 HA VAL 22 HA VAL 22 5.473 7.410 -1.128 57 HB VAL 22 HB VAL 22 5.863 4.945 -2.838 58 1HG1 VAL 22 HG11 VAL 22 5.523 6.836 -4.238 59 2HG1 VAL 22 HG12 VAL 22 7.256 6.515 -4.212 60 3HG1 VAL 22 HG13 VAL 22 6.590 7.837 -3.254 61 1HG2 VAL 22 HG21 VAL 22 7.834 6.540 -1.209 62 2HG2 VAL 22 HG22 VAL 22 8.294 5.374 -2.450 63 3HG2 VAL 22 HG23 VAL 22 7.412 4.838 -1.020 64 H CYS 23 HN CYS 23 3.426 4.636 -1.890 65 HA CYS 23 HA CYS 23 1.960 5.652 -4.012 66 1HB CYS 23 HB2 CYS 23 1.828 3.322 -3.283 67 2HB CYS 23 HB1 CYS 23 1.020 3.818 -1.802 68 1HN CGU 24 HN CGU 24 1.429 6.076 -0.526 69 HA CGU 24 HA CGU 24 -1.040 7.306 -0.523 70 1HB CGU 24 HB1 CGU 24 0.765 8.641 1.327 71 2HB CGU 24 HB2 CGU 24 1.000 6.892 1.348 72 HG CGU 24 HG2 CGU 24 -1.440 6.591 1.663 73 H LEU 25 HN LEU 25 2.120 8.739 -1.219 74 HA LEU 25 HA LEU 25 1.336 11.429 -1.308 75 1HB LEU 25 HB2 LEU 25 3.681 10.615 -1.247 76 2HB LEU 25 HB1 LEU 25 3.514 10.077 -2.905 77 HG LEU 25 HG LEU 25 4.747 12.215 -2.672 78 1HD1 LEU 25 HD11 LEU 25 3.150 11.507 -4.644 79 2HD1 LEU 25 HD12 LEU 25 3.923 13.091 -4.608 80 3HD1 LEU 25 HD13 LEU 25 2.242 12.920 -4.106 81 1HD2 LEU 25 HD21 LEU 25 2.117 13.472 -1.946 82 2HD2 LEU 25 HD22 LEU 25 3.723 14.201 -1.945 83 3HD2 LEU 25 HD23 LEU 25 3.303 12.991 -0.732 84 H ASN 26 HN ASN 26 1.748 9.127 -4.023 85 HA ASN 26 HA ASN 26 0.372 10.958 -5.806 86 1HB ASN 26 HB2 ASN 26 0.851 9.239 -7.550 87 2HB ASN 26 HB1 ASN 26 2.287 9.839 -6.730 88 1HD2 ASN 26 HD21 ASN 26 0.884 7.145 -7.904 89 2HD2 ASN 26 HD22 ASN 26 1.644 5.956 -6.909 90 HA PRO 27 HA PRO 27 -3.585 9.128 -4.697 91 1HB PRO 27 HB2 PRO 27 -4.504 10.870 -6.907 92 2HB PRO 27 HB1 PRO 27 -5.053 10.790 -5.230 93 1HG PRO 27 HG2 PRO 27 -3.568 12.832 -6.088 94 2HG PRO 27 HG1 PRO 27 -3.340 12.151 -4.466 95 1HD PRO 27 HD2 PRO 27 -1.708 11.735 -6.943 96 2HD PRO 27 HD1 PRO 27 -1.173 11.974 -5.267 97 H ASP 28 HN ASP 28 -1.973 8.985 -7.761 98 HA ASP 28 HA ASP 28 -3.823 7.795 -9.421 99 1HB ASP 28 HB2 ASP 28 -1.502 8.450 -10.066 100 2HB ASP 28 HB1 ASP 28 -0.903 7.022 -9.228 101 H CYS 29 HN CYS 29 -1.707 6.184 -7.044 102 HA CYS 29 HA CYS 29 -3.240 3.705 -7.402 103 1HB CYS 29 HB2 CYS 29 -1.435 2.628 -6.098 104 2HB CYS 29 HB1 CYS 29 -0.835 3.422 -7.546 105 H ASP 30 HN ASP 30 -2.355 6.123 -4.982 106 HA ASP 30 HA ASP 30 -3.322 4.873 -2.687 107 1HB ASP 30 HB2 ASP 30 -2.009 6.962 -2.663 108 2HB ASP 30 HB1 ASP 30 -3.379 7.828 -3.347 109 H GLU 31 HN GLU 31 -5.019 7.021 -4.960 110 HA GLU 31 HA GLU 31 -7.569 6.380 -3.688 111 1HB GLU 31 HB2 GLU 31 -6.988 8.746 -4.273 112 2HB GLU 31 HB1 GLU 31 -7.009 8.286 -5.969 113 1HG GLU 31 HG2 GLU 31 -9.381 7.634 -5.725 114 2HG GLU 31 HG1 GLU 31 -9.336 8.205 -4.061 115 H LEU 32 HN LEU 32 -6.543 4.152 -4.793 116 HA LEU 32 HA LEU 32 -7.214 3.735 -7.518 117 1HB LEU 32 HB2 LEU 32 -5.590 2.357 -6.235 118 2HB LEU 32 HB1 LEU 32 -6.924 1.682 -5.322 119 HG LEU 32 HG LEU 32 -7.822 0.648 -7.339 120 1HD1 LEU 32 HD11 LEU 32 -5.511 2.026 -8.686 121 2HD1 LEU 32 HD12 LEU 32 -7.231 2.198 -9.035 122 3HD1 LEU 32 HD13 LEU 32 -6.401 0.688 -9.412 123 1HD2 LEU 32 HD21 LEU 32 -4.874 0.086 -7.042 124 2HD2 LEU 32 HD22 LEU 32 -6.096 -1.007 -7.691 125 3HD2 LEU 32 HD23 LEU 32 -6.138 -0.548 -5.988 126 H ALA 33 HN ALA 33 -8.994 3.456 -4.511 127 HA ALA 33 HA ALA 33 -11.153 1.888 -5.319 128 1HB ALA 33 HB1 ALA 33 -10.751 2.510 -2.996 129 2HB ALA 33 HB2 ALA 33 -12.392 2.925 -3.490 130 3HB ALA 33 HB3 ALA 33 -11.163 4.184 -3.367 131 H ASP 34 HN ASP 34 -10.325 5.101 -6.254 132 HA ASP 34 HA ASP 34 -12.673 6.370 -6.787 133 1HB ASP 34 HB2 ASP 34 -10.392 7.276 -7.214 134 2HB ASP 34 HB1 ASP 34 -10.295 6.276 -8.658 135 H HIS 35 HN HIS 35 -11.120 3.918 -8.882 136 HA HIS 35 HA HIS 35 -13.709 3.661 -10.254 137 1HB HIS 35 HB2 HIS 35 -12.531 3.106 -12.335 138 2HB HIS 35 HB1 HIS 35 -12.152 4.722 -11.764 139 HD1 HIS 35 HD1 HIS 35 -10.206 3.835 -13.686 140 HD2 HIS 35 HD2 HIS 35 -9.885 2.657 -9.718 141 HE1 HIS 35 HE1 HIS 35 -7.800 3.186 -13.369 142 HE2 HIS 35 HE2 HIS 35 -7.661 2.358 -10.996 143 H ILE 36 HN ILE 36 -11.193 1.932 -8.601 144 HA ILE 36 HA ILE 36 -12.729 -0.510 -9.015 145 HB ILE 36 HB ILE 36 -10.743 -1.892 -9.442 146 1HG1 ILE 36 HG12 ILE 36 -9.306 0.760 -9.691 147 2HG1 ILE 36 HG11 ILE 36 -8.990 -0.497 -8.502 148 1HG2 ILE 36 HG21 ILE 36 -10.980 0.273 -11.516 149 2HG2 ILE 36 HG22 ILE 36 -12.198 -0.976 -11.259 150 3HG2 ILE 36 HG23 ILE 36 -10.569 -1.424 -11.762 151 1HD1 ILE 36 HD11 ILE 36 -8.624 -1.908 -10.745 152 2HD1 ILE 36 HD12 ILE 36 -7.340 -1.017 -9.927 153 3HD1 ILE 36 HD13 ILE 36 -8.163 -0.303 -11.315 154 H GLY 37 HN GLY 37 -9.771 0.699 -7.376 155 1HA GLY 37 HA2 GLY 37 -9.138 0.565 -5.175 156 2HA GLY 37 HA1 GLY 37 -10.802 0.161 -4.791 157 H PHE 38 HN PHE 38 -8.122 -1.447 -6.544 158 HA PHE 38 HA PHE 38 -8.665 -3.843 -4.920 159 1HB PHE 38 HB2 PHE 38 -7.735 -3.630 -7.784 160 2HB PHE 38 HB1 PHE 38 -7.638 -5.121 -6.859 161 HD1 PHE 38 HD1 PHE 38 -10.173 -2.483 -7.607 162 HD2 PHE 38 HD2 PHE 38 -9.314 -6.627 -7.204 163 HE1 PHE 38 HE1 PHE 38 -12.486 -3.018 -8.244 164 HE2 PHE 38 HE2 PHE 38 -11.627 -7.174 -7.841 165 HZ PHE 38 HZ PHE 38 -13.218 -5.367 -8.363 166 H GLN 39 HN GLN 39 -5.929 -3.216 -7.071 167 HA GLN 39 HA GLN 39 -3.991 -2.348 -5.332 168 1HB GLN 39 HB2 GLN 39 -4.348 -4.257 -3.914 169 2HB GLN 39 HB1 GLN 39 -4.253 -5.358 -5.280 170 1HG GLN 39 HG2 GLN 39 -1.912 -4.910 -5.548 171 2HG GLN 39 HG1 GLN 39 -1.971 -3.655 -4.312 172 1HE2 GLN 39 HE21 GLN 39 -1.091 -4.284 -2.487 173 2HE2 GLN 39 HE22 GLN 39 -1.157 -5.873 -1.814 174 H GLU 40 HN GLU 40 -4.753 -4.568 -7.949 175 HA GLU 40 HA GLU 40 -2.427 -5.100 -9.190 176 1HB GLU 40 HB2 GLU 40 -3.645 -4.982 -11.349 177 2HB GLU 40 HB1 GLU 40 -4.528 -5.844 -10.097 178 1HG GLU 40 HG2 GLU 40 -5.860 -3.797 -9.689 179 2HG GLU 40 HG1 GLU 40 -5.027 -3.027 -11.037 180 H ALA 41 HN ALA 41 -4.113 -1.968 -9.414 181 HA ALA 41 HA ALA 41 -2.528 -0.720 -11.309 182 1HB ALA 41 HB1 ALA 41 -3.836 0.514 -8.888 183 2HB ALA 41 HB2 ALA 41 -4.572 0.276 -10.473 184 3HB ALA 41 HB3 ALA 41 -3.229 1.403 -10.285 185 H TYR 42 HN TYR 42 -2.113 -0.538 -7.764 186 HA TYR 42 HA TYR 42 0.186 0.950 -7.618 187 1HB TYR 42 HB2 TYR 42 -0.988 0.360 -5.621 188 2HB TYR 42 HB1 TYR 42 -0.744 -1.357 -5.906 189 HD1 TYR 42 HD1 TYR 42 1.731 -2.179 -5.884 190 HD2 TYR 42 HD2 TYR 42 0.444 1.506 -4.193 191 HE1 TYR 42 HE1 TYR 42 3.741 -2.131 -4.474 192 HE2 TYR 42 HE2 TYR 42 2.453 1.564 -2.778 193 HH TYR 42 HH TYR 42 4.148 -0.664 -1.899 194 H ARG 43 HN ARG 43 -0.020 -2.577 -8.050 195 HA ARG 43 HA ARG 43 2.714 -3.146 -7.996 196 1HB ARG 43 HB2 ARG 43 0.529 -4.550 -9.537 197 2HB ARG 43 HB1 ARG 43 2.127 -5.209 -9.222 198 1HG ARG 43 HG2 ARG 43 1.666 -5.148 -6.813 199 2HG ARG 43 HG1 ARG 43 0.050 -4.521 -7.151 200 1HD ARG 43 HD2 ARG 43 -0.474 -6.547 -8.413 201 2HD ARG 43 HD1 ARG 43 1.143 -7.171 -8.095 202 HE ARG 43 HE ARG 43 -0.100 -6.580 -5.649 203 1HH1 ARG 43 HH11 ARG 43 -0.359 -8.859 -8.294 204 2HH1 ARG 43 HH12 ARG 43 -1.017 -10.119 -7.307 205 1HH2 ARG 43 HH21 ARG 43 -0.968 -8.248 -4.352 206 2HH2 ARG 43 HH22 ARG 43 -1.363 -9.773 -5.070 207 H ARG 44 HN ARG 44 0.679 -2.056 -10.659 208 HA ARG 44 HA ARG 44 2.276 -2.579 -12.841 209 1HB ARG 44 HB2 ARG 44 0.566 -0.133 -12.378 210 2HB ARG 44 HB1 ARG 44 1.176 -0.663 -13.937 211 1HG ARG 44 HG2 ARG 44 -0.137 -2.681 -13.816 212 2HG ARG 44 HG1 ARG 44 -0.678 -2.264 -12.189 213 1HD ARG 44 HD2 ARG 44 -1.752 -0.243 -13.085 214 2HD ARG 44 HD1 ARG 44 -1.245 -0.708 -14.708 215 HE ARG 44 HE ARG 44 -2.692 -2.831 -13.611 216 1HH1 ARG 44 HH11 ARG 44 -3.241 0.466 -14.654 217 2HH1 ARG 44 HH12 ARG 44 -4.895 0.185 -15.082 218 1HH2 ARG 44 HH21 ARG 44 -4.871 -3.195 -14.176 219 2HH2 ARG 44 HH22 ARG 44 -5.821 -1.892 -14.810 220 H PHE 45 HN PHE 45 2.499 0.221 -10.646 221 HA PHE 45 HA PHE 45 5.038 0.896 -11.970 222 1HB PHE 45 HB2 PHE 45 4.544 3.258 -10.976 223 2HB PHE 45 HB1 PHE 45 3.768 2.746 -12.466 224 HD1 PHE 45 HD1 PHE 45 1.412 1.647 -12.185 225 HD2 PHE 45 HD2 PHE 45 3.261 4.148 -9.282 226 HE1 PHE 45 HE1 PHE 45 -0.790 2.134 -11.210 227 HE2 PHE 45 HE2 PHE 45 1.059 4.637 -8.300 228 HZ PHE 45 HZ PHE 45 -0.969 3.632 -9.269 229 H TYR 46 HN TYR 46 4.572 -0.894 -9.623 230 HA TYR 46 HA TYR 46 6.567 0.370 -7.900 231 1HB TYR 46 HB2 TYR 46 3.928 -0.725 -6.969 232 2HB TYR 46 HB1 TYR 46 5.329 -0.747 -5.908 233 HD1 TYR 46 HD1 TYR 46 3.361 1.619 -8.035 234 HD2 TYR 46 HD2 TYR 46 5.742 1.073 -4.553 235 HE1 TYR 46 HE1 TYR 46 2.912 3.941 -7.365 236 HE2 TYR 46 HE2 TYR 46 5.296 3.391 -3.875 237 HH TYR 46 HH TYR 46 4.395 5.699 -5.705 238 H GLY 47 HN GLY 47 4.681 -2.662 -7.751 239 1HA GLY 47 HA2 GLY 47 5.648 -4.742 -8.578 240 2HA GLY 47 HA1 GLY 47 7.220 -4.132 -8.087 241 HA PRO 48 HA PRO 48 7.082 -6.083 -4.140 242 1HB PRO 48 HB2 PRO 48 7.253 -3.433 -2.796 243 2HB PRO 48 HB1 PRO 48 8.292 -4.852 -2.625 244 1HG PRO 48 HG2 PRO 48 9.120 -2.724 -3.990 245 2HG PRO 48 HG1 PRO 48 9.496 -4.366 -4.546 246 1HD PRO 48 HD2 PRO 48 7.451 -2.439 -5.566 247 2HD PRO 48 HD1 PRO 48 8.480 -3.574 -6.464 248 H VAL 49 HN VAL 49 5.280 -6.939 -3.344 249 HA VAL 49 HA VAL 49 3.109 -5.138 -2.487 250 HB VAL 49 HB VAL 49 2.450 -6.418 -4.461 251 1HG1 VAL 49 HG11 VAL 49 2.889 -8.896 -2.800 252 2HG1 VAL 49 HG12 VAL 49 3.946 -8.352 -4.103 253 3HG1 VAL 49 HG13 VAL 49 2.284 -8.824 -4.455 254 1HG2 VAL 49 HG21 VAL 49 0.963 -6.014 -2.288 255 2HG2 VAL 49 HG22 VAL 49 0.903 -7.776 -2.333 256 3HG2 VAL 49 HG23 VAL 49 0.349 -6.839 -3.720 Start of MODEL 10 1 H LEU 16 HN LEU 16 1.531 -10.036 -0.276 2 HA LEU 16 HA LEU 16 2.249 -8.765 -2.771 3 1HB LEU 16 HB2 LEU 16 -0.169 -8.741 -2.944 4 2HB LEU 16 HB1 LEU 16 -0.311 -8.065 -1.333 5 HG LEU 16 HG LEU 16 0.817 -6.002 -2.138 6 1HD1 LEU 16 HD11 LEU 16 0.896 -5.683 -4.624 7 2HD1 LEU 16 HD12 LEU 16 0.667 -7.425 -4.785 8 3HD1 LEU 16 HD13 LEU 16 2.099 -6.795 -3.971 9 1HD2 LEU 16 HD21 LEU 16 -1.463 -6.362 -3.989 10 2HD2 LEU 16 HD22 LEU 16 -1.143 -5.088 -2.812 11 3HD2 LEU 16 HD23 LEU 16 -1.767 -6.647 -2.276 12 1HN CGU 17 HN CGU 17 1.024 -7.978 0.493 13 HA CGU 17 HA CGU 17 1.905 -6.775 2.204 14 1HB CGU 17 HB1 CGU 17 4.483 -6.001 1.546 15 2HB CGU 17 HB2 CGU 17 4.288 -7.528 0.681 16 HG CGU 17 HG2 CGU 17 3.729 -7.093 3.625 17 HA PRO 18 HA PRO 18 1.341 -2.610 0.879 18 1HB PRO 18 HB2 PRO 18 1.899 -1.261 3.120 19 2HB PRO 18 HB1 PRO 18 0.514 -2.355 3.020 20 1HG PRO 18 HG2 PRO 18 3.182 -2.784 4.288 21 2HG PRO 18 HG1 PRO 18 1.580 -3.297 4.843 22 1HD PRO 18 HD2 PRO 18 3.410 -4.909 3.514 23 2HD PRO 18 HD1 PRO 18 1.670 -5.227 3.643 24 H LYS 19 HN LYS 19 2.533 -1.394 -0.434 25 HA LYS 19 HA LYS 19 5.156 -0.460 0.447 26 1HB LYS 19 HB2 LYS 19 6.241 -1.005 -1.653 27 2HB LYS 19 HB1 LYS 19 5.611 -2.462 -0.912 28 1HG LYS 19 HG2 LYS 19 4.103 -0.987 -3.046 29 2HG LYS 19 HG1 LYS 19 5.332 -2.189 -3.428 30 1HD LYS 19 HD2 LYS 19 2.999 -2.789 -1.625 31 2HD LYS 19 HD1 LYS 19 2.911 -2.975 -3.374 32 1HE LYS 19 HE2 LYS 19 3.439 -5.107 -2.484 33 2HE LYS 19 HE1 LYS 19 4.913 -4.481 -3.215 34 1HZ LYS 19 HZ1 LYS 19 5.935 -4.291 -1.218 35 2HZ LYS 19 HZ2 LYS 19 4.880 -5.550 -0.821 36 3HZ LYS 19 HZ3 LYS 19 4.507 -3.965 -0.368 37 H ARG 20 HN ARG 20 2.455 0.740 0.049 38 HA ARG 20 HA ARG 20 2.783 2.492 -2.233 39 1HB ARG 20 HB2 ARG 20 0.633 2.007 -0.221 40 2HB ARG 20 HB1 ARG 20 0.655 3.554 -1.053 41 1HG ARG 20 HG2 ARG 20 -0.812 2.038 -2.201 42 2HG ARG 20 HG1 ARG 20 0.592 2.376 -3.209 43 1HD ARG 20 HD2 ARG 20 0.097 0.034 -3.342 44 2HD ARG 20 HD1 ARG 20 1.595 0.241 -2.438 45 HE ARG 20 HE ARG 20 -0.459 0.152 -0.578 46 1HH1 ARG 20 HH11 ARG 20 0.920 -1.981 -2.987 47 2HH1 ARG 20 HH12 ARG 20 0.522 -3.422 -2.115 48 1HH2 ARG 20 HH21 ARG 20 -0.984 -1.748 0.562 49 2HH2 ARG 20 HH22 ARG 20 -0.556 -3.290 -0.099 50 1HN CGU 21 HN CGU 21 4.955 2.979 -0.904 51 HA CGU 21 HA CGU 21 4.712 4.988 1.127 52 1HB CGU 21 HB1 CGU 21 6.981 3.754 -0.399 53 2HB CGU 21 HB2 CGU 21 7.258 5.283 0.439 54 HG CGU 21 HG2 CGU 21 7.833 3.360 1.865 55 H VAL 22 HN VAL 22 5.577 4.962 -2.312 56 HA VAL 22 HA VAL 22 5.715 7.841 -2.474 57 HB VAL 22 HB VAL 22 5.622 5.838 -4.735 58 1HG1 VAL 22 HG11 VAL 22 5.126 8.098 -5.450 59 2HG1 VAL 22 HG12 VAL 22 6.724 7.621 -6.023 60 3HG1 VAL 22 HG13 VAL 22 6.570 8.699 -4.635 61 1HG2 VAL 22 HG21 VAL 22 7.491 5.227 -3.419 62 2HG2 VAL 22 HG22 VAL 22 7.950 6.910 -3.159 63 3HG2 VAL 22 HG23 VAL 22 8.126 6.185 -4.757 64 H CYS 23 HN CYS 23 3.381 5.308 -3.130 65 HA CYS 23 HA CYS 23 1.550 6.570 -4.752 66 1HB CYS 23 HB2 CYS 23 1.326 4.236 -4.153 67 2HB CYS 23 HB1 CYS 23 1.059 4.655 -2.466 68 1HN CGU 24 HN CGU 24 1.758 6.720 -1.200 69 HA CGU 24 HA CGU 24 -0.476 8.216 -0.616 70 1HB CGU 24 HB1 CGU 24 1.587 9.222 1.049 71 2HB CGU 24 HB2 CGU 24 1.979 7.534 0.714 72 HG CGU 24 HG2 CGU 24 -0.309 6.884 1.393 73 H LEU 25 HN LEU 25 2.620 9.370 -1.880 74 HA LEU 25 HA LEU 25 2.157 12.127 -1.524 75 1HB LEU 25 HB2 LEU 25 3.918 10.621 -3.446 76 2HB LEU 25 HB1 LEU 25 3.858 12.371 -3.405 77 HG LEU 25 HG LEU 25 5.778 11.592 -2.168 78 1HD1 LEU 25 HD11 LEU 25 5.503 12.850 -0.215 79 2HD1 LEU 25 HD12 LEU 25 3.785 12.468 -0.104 80 3HD1 LEU 25 HD13 LEU 25 4.367 13.555 -1.365 81 1HD2 LEU 25 HD21 LEU 25 5.709 10.094 -0.364 82 2HD2 LEU 25 HD22 LEU 25 4.702 9.355 -1.609 83 3HD2 LEU 25 HD23 LEU 25 3.951 10.184 -0.245 84 H ASN 26 HN ASN 26 1.370 9.939 -4.202 85 HA ASN 26 HA ASN 26 0.022 12.162 -5.570 86 1HB ASN 26 HB2 ASN 26 -0.049 10.634 -7.542 87 2HB ASN 26 HB1 ASN 26 1.581 11.015 -7.003 88 1HD2 ASN 26 HD21 ASN 26 -0.377 8.592 -8.038 89 2HD2 ASN 26 HD22 ASN 26 0.473 7.237 -7.386 90 HA PRO 27 HA PRO 27 -3.679 10.462 -3.542 91 1HB PRO 27 HB2 PRO 27 -4.819 12.642 -5.225 92 2HB PRO 27 HB1 PRO 27 -5.108 12.262 -3.524 93 1HG PRO 27 HG2 PRO 27 -3.557 14.308 -4.185 94 2HG PRO 27 HG1 PRO 27 -3.121 13.250 -2.829 95 1HD PRO 27 HD2 PRO 27 -1.996 13.350 -5.596 96 2HD PRO 27 HD1 PRO 27 -1.172 13.071 -4.050 97 H ASP 28 HN ASP 28 -3.038 10.867 -6.959 98 HA ASP 28 HA ASP 28 -5.344 9.968 -8.154 99 1HB ASP 28 HB2 ASP 28 -2.487 9.339 -8.927 100 2HB ASP 28 HB1 ASP 28 -3.879 9.070 -9.966 101 H CYS 29 HN CYS 29 -2.702 7.970 -6.845 102 HA CYS 29 HA CYS 29 -4.076 5.506 -7.420 103 1HB CYS 29 HB2 CYS 29 -2.200 4.446 -6.211 104 2HB CYS 29 HB1 CYS 29 -1.652 5.553 -7.465 105 H ASP 30 HN ASP 30 -3.799 7.666 -4.674 106 HA ASP 30 HA ASP 30 -4.585 5.953 -2.610 107 1HB ASP 30 HB2 ASP 30 -5.059 8.917 -2.961 108 2HB ASP 30 HB1 ASP 30 -5.402 8.042 -1.474 109 H GLU 31 HN GLU 31 -6.439 7.316 -5.202 110 HA GLU 31 HA GLU 31 -8.999 7.458 -4.257 111 1HB GLU 31 HB2 GLU 31 -8.365 8.028 -6.549 112 2HB GLU 31 HB1 GLU 31 -8.110 6.328 -6.914 113 1HG GLU 31 HG2 GLU 31 -10.487 5.892 -6.518 114 2HG GLU 31 HG1 GLU 31 -10.736 7.601 -6.172 115 H LEU 32 HN LEU 32 -7.187 4.522 -5.041 116 HA LEU 32 HA LEU 32 -9.289 2.686 -4.995 117 1HB LEU 32 HB2 LEU 32 -6.367 2.433 -4.357 118 2HB LEU 32 HB1 LEU 32 -7.447 1.065 -4.172 119 HG LEU 32 HG LEU 32 -8.046 1.265 -6.581 120 1HD1 LEU 32 HD11 LEU 32 -6.549 2.601 -8.027 121 2HD1 LEU 32 HD12 LEU 32 -5.866 3.344 -6.582 122 3HD1 LEU 32 HD13 LEU 32 -7.567 3.587 -6.978 123 1HD2 LEU 32 HD21 LEU 32 -6.060 0.220 -7.395 124 2HD2 LEU 32 HD22 LEU 32 -6.278 -0.264 -5.714 125 3HD2 LEU 32 HD23 LEU 32 -5.084 0.966 -6.130 126 H ALA 33 HN ALA 33 -7.213 3.789 -2.317 127 HA ALA 33 HA ALA 33 -8.252 2.213 -0.283 128 1HB ALA 33 HB1 ALA 33 -7.371 3.844 1.264 129 2HB ALA 33 HB2 ALA 33 -7.288 5.056 -0.015 130 3HB ALA 33 HB3 ALA 33 -6.248 3.633 -0.080 131 H ASP 34 HN ASP 34 -9.697 4.969 -1.855 132 HA ASP 34 HA ASP 34 -11.533 5.681 0.178 133 1HB ASP 34 HB2 ASP 34 -11.656 6.121 -2.810 134 2HB ASP 34 HB1 ASP 34 -12.761 6.850 -1.651 135 H HIS 35 HN HIS 35 -11.721 3.341 -2.486 136 HA HIS 35 HA HIS 35 -13.970 2.092 -1.176 137 1HB HIS 35 HB2 HIS 35 -15.380 2.107 -3.269 138 2HB HIS 35 HB1 HIS 35 -15.258 3.633 -2.411 139 HD1 HIS 35 HD1 HIS 35 -16.160 3.779 -5.240 140 HD2 HIS 35 HD2 HIS 35 -12.137 3.899 -4.211 141 HE1 HIS 35 HE1 HIS 35 -15.005 4.915 -7.161 142 HE2 HIS 35 HE2 HIS 35 -12.561 4.886 -6.559 143 H ILE 36 HN ILE 36 -11.867 2.043 -4.059 144 HA ILE 36 HA ILE 36 -12.223 -0.866 -4.190 145 HB ILE 36 HB ILE 36 -11.125 -0.725 -6.404 146 1HG1 ILE 36 HG12 ILE 36 -11.280 2.266 -5.966 147 2HG1 ILE 36 HG11 ILE 36 -9.800 1.316 -6.015 148 1HG2 ILE 36 HG21 ILE 36 -13.603 -0.593 -6.064 149 2HG2 ILE 36 HG22 ILE 36 -13.019 0.113 -7.571 150 3HG2 ILE 36 HG23 ILE 36 -13.464 1.158 -6.222 151 1HD1 ILE 36 HD11 ILE 36 -9.855 2.175 -8.129 152 2HD1 ILE 36 HD12 ILE 36 -11.615 2.111 -8.229 153 3HD1 ILE 36 HD13 ILE 36 -10.667 0.630 -8.376 154 H GLY 37 HN GLY 37 -10.828 -0.518 -2.061 155 1HA GLY 37 HA2 GLY 37 -8.022 -0.117 -2.423 156 2HA GLY 37 HA1 GLY 37 -8.806 -0.751 -0.984 157 H PHE 38 HN PHE 38 -7.707 -1.628 -4.233 158 HA PHE 38 HA PHE 38 -7.716 -4.455 -3.518 159 1HB PHE 38 HB2 PHE 38 -6.932 -3.182 -6.145 160 2HB PHE 38 HB1 PHE 38 -7.246 -4.887 -5.853 161 HD1 PHE 38 HD1 PHE 38 -9.729 -4.816 -4.310 162 HD2 PHE 38 HD2 PHE 38 -8.515 -2.493 -7.658 163 HE1 PHE 38 HE1 PHE 38 -12.087 -4.493 -4.934 164 HE2 PHE 38 HE2 PHE 38 -10.869 -2.158 -8.287 165 HZ PHE 38 HZ PHE 38 -12.659 -3.160 -6.924 166 H GLN 39 HN GLN 39 -5.483 -1.811 -4.078 167 HA GLN 39 HA GLN 39 -3.254 -1.583 -3.698 168 1HB GLN 39 HB2 GLN 39 -3.479 -4.302 -2.386 169 2HB GLN 39 HB1 GLN 39 -2.106 -3.213 -2.253 170 1HG GLN 39 HG2 GLN 39 -3.459 -1.584 -1.097 171 2HG GLN 39 HG1 GLN 39 -4.894 -2.581 -1.313 172 1HE2 GLN 39 HE21 GLN 39 -2.493 -4.749 -0.736 173 2HE2 GLN 39 HE22 GLN 39 -2.621 -4.870 0.979 174 H GLU 40 HN GLU 40 -4.412 -3.034 -6.077 175 HA GLU 40 HA GLU 40 -2.065 -4.609 -6.884 176 1HB GLU 40 HB2 GLU 40 -3.495 -5.563 -8.629 177 2HB GLU 40 HB1 GLU 40 -4.189 -5.803 -7.032 178 1HG GLU 40 HG2 GLU 40 -5.731 -3.957 -7.409 179 2HG GLU 40 HG1 GLU 40 -5.022 -3.677 -8.997 180 H ALA 41 HN ALA 41 -4.003 -1.800 -7.714 181 HA ALA 41 HA ALA 41 -3.129 -1.309 -10.303 182 1HB ALA 41 HB1 ALA 41 -3.801 0.976 -9.964 183 2HB ALA 41 HB2 ALA 41 -3.727 0.778 -8.213 184 3HB ALA 41 HB3 ALA 41 -4.946 -0.088 -9.147 185 H TYR 42 HN TYR 42 -1.593 -0.467 -7.229 186 HA TYR 42 HA TYR 42 0.336 1.293 -7.838 187 1HB TYR 42 HB2 TYR 42 0.078 0.345 -5.619 188 2HB TYR 42 HB1 TYR 42 0.697 -1.204 -6.176 189 HD1 TYR 42 HD1 TYR 42 3.128 -1.228 -7.077 190 HD2 TYR 42 HD2 TYR 42 1.527 1.925 -4.711 191 HE1 TYR 42 HE1 TYR 42 5.406 -0.529 -6.477 192 HE2 TYR 42 HE2 TYR 42 3.800 2.632 -4.103 193 HH TYR 42 HH TYR 42 6.244 1.125 -4.051 194 H ARG 43 HN ARG 43 0.894 -2.228 -8.259 195 HA ARG 43 HA ARG 43 3.412 -2.031 -9.401 196 1HB ARG 43 HB2 ARG 43 2.984 -4.279 -10.374 197 2HB ARG 43 HB1 ARG 43 2.624 -4.157 -8.660 198 1HG ARG 43 HG2 ARG 43 0.283 -4.090 -9.084 199 2HG ARG 43 HG1 ARG 43 0.545 -3.961 -10.823 200 1HD ARG 43 HD2 ARG 43 1.318 -6.312 -9.095 201 2HD ARG 43 HD1 ARG 43 -0.108 -6.233 -10.129 202 HE ARG 43 HE ARG 43 2.518 -6.892 -10.932 203 1HH1 ARG 43 HH11 ARG 43 -0.321 -5.160 -12.046 204 2HH1 ARG 43 HH12 ARG 43 0.087 -5.328 -13.719 205 1HH2 ARG 43 HH21 ARG 43 3.041 -7.110 -13.138 206 2HH2 ARG 43 HH22 ARG 43 1.991 -6.436 -14.340 207 H ARG 44 HN ARG 44 0.282 -1.689 -10.974 208 HA ARG 44 HA ARG 44 1.089 -1.954 -13.633 209 1HB ARG 44 HB2 ARG 44 -1.129 -0.303 -12.428 210 2HB ARG 44 HB1 ARG 44 -0.914 -0.527 -14.157 211 1HG ARG 44 HG2 ARG 44 -1.225 -2.917 -13.919 212 2HG ARG 44 HG1 ARG 44 -1.362 -2.742 -12.169 213 1HD ARG 44 HD2 ARG 44 -3.384 -1.469 -12.396 214 2HD ARG 44 HD1 ARG 44 -3.204 -1.412 -14.148 215 HE ARG 44 HE ARG 44 -4.256 -3.421 -14.239 216 1HH1 ARG 44 HH11 ARG 44 -2.841 -3.145 -11.044 217 2HH1 ARG 44 HH12 ARG 44 -3.455 -4.671 -10.512 218 1HH2 ARG 44 HH21 ARG 44 -5.060 -5.425 -13.524 219 2HH2 ARG 44 HH22 ARG 44 -4.717 -5.963 -11.914 220 H PHE 45 HN PHE 45 1.190 0.908 -11.526 221 HA PHE 45 HA PHE 45 2.594 2.308 -13.700 222 1HB PHE 45 HB2 PHE 45 1.925 4.438 -12.518 223 2HB PHE 45 HB1 PHE 45 0.625 3.535 -13.278 224 HD1 PHE 45 HD1 PHE 45 -0.676 1.901 -11.691 225 HD2 PHE 45 HD2 PHE 45 1.664 5.197 -10.365 226 HE1 PHE 45 HE1 PHE 45 -1.930 1.938 -9.578 227 HE2 PHE 45 HE2 PHE 45 0.413 5.233 -8.246 228 HZ PHE 45 HZ PHE 45 -1.386 3.602 -7.854 229 H TYR 46 HN TYR 46 3.662 0.509 -11.499 230 HA TYR 46 HA TYR 46 5.851 2.292 -10.731 231 1HB TYR 46 HB2 TYR 46 4.155 0.703 -8.839 232 2HB TYR 46 HB1 TYR 46 5.863 0.923 -8.485 233 HD1 TYR 46 HD1 TYR 46 2.843 2.939 -9.395 234 HD2 TYR 46 HD2 TYR 46 6.507 2.747 -7.247 235 HE1 TYR 46 HE1 TYR 46 2.370 5.134 -8.394 236 HE2 TYR 46 HE2 TYR 46 6.041 4.938 -6.240 237 HH TYR 46 HH TYR 46 3.203 6.312 -6.052 238 H GLY 47 HN GLY 47 4.802 -1.080 -10.240 239 1HA GLY 47 HA2 GLY 47 6.466 -2.362 -11.997 240 2HA GLY 47 HA1 GLY 47 7.450 -2.113 -10.563 241 HA PRO 48 HA PRO 48 4.149 -5.827 -10.505 242 1HB PRO 48 HB2 PRO 48 6.683 -7.315 -11.064 243 2HB PRO 48 HB1 PRO 48 5.024 -7.701 -11.537 244 1HG PRO 48 HG2 PRO 48 6.721 -6.656 -13.298 245 2HG PRO 48 HG1 PRO 48 5.019 -6.159 -13.271 246 1HD PRO 48 HD2 PRO 48 7.436 -4.696 -12.334 247 2HD PRO 48 HD1 PRO 48 5.930 -4.065 -13.028 248 H VAL 49 HN VAL 49 3.812 -5.830 -8.360 249 HA VAL 49 HA VAL 49 6.046 -6.614 -6.601 250 HB VAL 49 HB VAL 49 4.953 -5.352 -4.779 251 1HG1 VAL 49 HG11 VAL 49 6.145 -3.526 -5.287 252 2HG1 VAL 49 HG12 VAL 49 5.233 -3.224 -6.766 253 3HG1 VAL 49 HG13 VAL 49 6.556 -4.390 -6.769 254 1HG2 VAL 49 HG21 VAL 49 3.149 -3.832 -5.184 255 2HG2 VAL 49 HG22 VAL 49 2.657 -5.421 -5.768 256 3HG2 VAL 49 HG23 VAL 49 3.172 -4.182 -6.912 Start of MODEL 11 1 H LEU 16 HN LEU 16 -3.725 -1.677 5.155 2 HA LEU 16 HA LEU 16 -3.759 -1.210 2.368 3 1HB LEU 16 HB2 LEU 16 -6.097 -1.897 2.573 4 2HB LEU 16 HB1 LEU 16 -6.354 -0.700 3.827 5 HG LEU 16 HG LEU 16 -5.941 1.097 2.194 6 1HD1 LEU 16 HD11 LEU 16 -5.985 0.395 -0.249 7 2HD1 LEU 16 HD12 LEU 16 -5.551 -1.217 0.319 8 3HD1 LEU 16 HD13 LEU 16 -4.474 0.145 0.626 9 1HD2 LEU 16 HD21 LEU 16 -7.973 0.484 0.687 10 2HD2 LEU 16 HD22 LEU 16 -8.201 0.693 2.424 11 3HD2 LEU 16 HD23 LEU 16 -8.090 -0.928 1.738 12 1HN CGU 17 HN CGU 17 -4.872 0.194 5.436 13 HA CGU 17 HA CGU 17 -4.646 2.198 6.413 14 1HB CGU 17 HB1 CGU 17 -2.416 1.260 6.820 15 2HB CGU 17 HB2 CGU 17 -2.357 3.016 6.694 16 HG CGU 17 HG2 CGU 17 -1.675 1.110 4.440 17 HA PRO 18 HA PRO 18 -5.251 5.585 3.690 18 1HB PRO 18 HB2 PRO 18 -5.022 7.681 5.325 19 2HB PRO 18 HB1 PRO 18 -6.269 6.455 5.573 20 1HG PRO 18 HG2 PRO 18 -3.709 6.876 7.034 21 2HG PRO 18 HG1 PRO 18 -5.274 6.316 7.645 22 1HD PRO 18 HD2 PRO 18 -3.072 4.705 6.968 23 2HD PRO 18 HD1 PRO 18 -4.728 4.148 7.272 24 H LYS 19 HN LYS 19 -3.344 5.230 2.325 25 HA LYS 19 HA LYS 19 -1.611 7.559 2.349 26 1HB LYS 19 HB2 LYS 19 -0.434 5.778 3.687 27 2HB LYS 19 HB1 LYS 19 -0.402 4.789 2.236 28 1HG LYS 19 HG2 LYS 19 1.726 5.886 2.577 29 2HG LYS 19 HG1 LYS 19 0.953 6.488 1.111 30 1HD LYS 19 HD2 LYS 19 0.262 8.499 2.233 31 2HD LYS 19 HD1 LYS 19 0.826 7.877 3.785 32 1HE LYS 19 HE2 LYS 19 2.423 9.467 2.909 33 2HE LYS 19 HE1 LYS 19 3.128 7.852 2.915 34 1HZ LYS 19 HZ1 LYS 19 2.299 7.799 0.482 35 2HZ LYS 19 HZ2 LYS 19 3.709 8.654 0.851 36 3HZ LYS 19 HZ3 LYS 19 2.254 9.484 0.625 37 H ARG 20 HN ARG 20 -3.780 6.610 0.664 38 HA ARG 20 HA ARG 20 -2.490 5.725 -1.787 39 1HB ARG 20 HB2 ARG 20 -5.366 6.140 -1.010 40 2HB ARG 20 HB1 ARG 20 -4.891 5.843 -2.675 41 1HG ARG 20 HG2 ARG 20 -5.586 3.780 -1.678 42 2HG ARG 20 HG1 ARG 20 -3.848 3.720 -1.965 43 1HD ARG 20 HD2 ARG 20 -4.380 2.782 0.210 44 2HD ARG 20 HD1 ARG 20 -3.449 4.265 0.394 45 HE ARG 20 HE ARG 20 -5.208 5.154 1.534 46 1HH1 ARG 20 HH11 ARG 20 -6.420 2.475 -0.369 47 2HH1 ARG 20 HH12 ARG 20 -8.029 2.605 0.255 48 1HH2 ARG 20 HH21 ARG 20 -7.325 5.316 2.349 49 2HH2 ARG 20 HH22 ARG 20 -8.544 4.217 1.796 50 1HN CGU 21 HN CGU 21 -2.572 8.625 -0.409 51 HA CGU 21 HA CGU 21 -3.667 10.336 -2.351 52 1HB CGU 21 HB1 CGU 21 -1.795 11.978 -1.361 53 2HB CGU 21 HB2 CGU 21 -3.258 11.580 -0.461 54 HG CGU 21 HG2 CGU 21 -2.034 9.812 0.746 55 H VAL 22 HN VAL 22 -0.732 8.507 -2.332 56 HA VAL 22 HA VAL 22 0.621 10.061 -4.338 57 HB VAL 22 HB VAL 22 1.136 7.210 -3.459 58 1HG1 VAL 22 HG11 VAL 22 2.223 7.381 -5.494 59 2HG1 VAL 22 HG12 VAL 22 3.481 7.868 -4.358 60 3HG1 VAL 22 HG13 VAL 22 2.595 9.090 -5.271 61 1HG2 VAL 22 HG21 VAL 22 3.160 8.561 -2.382 62 2HG2 VAL 22 HG22 VAL 22 1.634 8.315 -1.535 63 3HG2 VAL 22 HG23 VAL 22 1.948 9.842 -2.360 64 H CYS 23 HN CYS 23 -1.160 6.976 -4.278 65 HA CYS 23 HA CYS 23 -0.935 6.308 -6.972 66 1HB CYS 23 HB2 CYS 23 -1.811 4.748 -5.317 67 2HB CYS 23 HB1 CYS 23 -3.224 5.767 -5.067 68 1HN CGU 24 HN CGU 24 -3.367 8.309 -5.329 69 HA CGU 24 HA CGU 24 -5.053 8.794 -7.499 70 1HB CGU 24 HB1 CGU 24 -5.674 10.903 -6.250 71 2HB CGU 24 HB2 CGU 24 -4.394 10.513 -5.096 72 HG CGU 24 HG2 CGU 24 -5.481 8.339 -4.647 73 H LEU 25 HN LEU 25 -1.966 10.232 -6.655 74 HA LEU 25 HA LEU 25 -2.121 12.461 -8.400 75 1HB LEU 25 HB2 LEU 25 -0.549 12.261 -6.481 76 2HB LEU 25 HB1 LEU 25 0.341 11.043 -7.372 77 HG LEU 25 HG LEU 25 1.411 13.275 -7.416 78 1HD1 LEU 25 HD11 LEU 25 1.402 11.483 -9.347 79 2HD1 LEU 25 HD12 LEU 25 2.185 13.050 -9.547 80 3HD1 LEU 25 HD13 LEU 25 0.580 12.774 -10.224 81 1HD2 LEU 25 HD21 LEU 25 -0.822 14.490 -7.469 82 2HD2 LEU 25 HD22 LEU 25 -0.838 14.157 -9.201 83 3HD2 LEU 25 HD23 LEU 25 0.459 15.126 -8.501 84 H ASN 26 HN ASN 26 -0.421 9.321 -8.737 85 HA ASN 26 HA ASN 26 0.073 9.852 -11.541 86 1HB ASN 26 HB2 ASN 26 1.248 7.694 -11.549 87 2HB ASN 26 HB1 ASN 26 1.810 8.728 -10.242 88 1HD2 ASN 26 HD21 ASN 26 0.947 5.660 -11.019 89 2HD2 ASN 26 HD22 ASN 26 0.548 5.064 -9.448 90 HA PRO 27 HA PRO 27 -3.940 8.165 -12.673 91 1HB PRO 27 HB2 PRO 27 -2.777 8.433 -15.385 92 2HB PRO 27 HB1 PRO 27 -4.290 9.075 -14.738 93 1HG PRO 27 HG2 PRO 27 -2.207 10.677 -15.182 94 2HG PRO 27 HG1 PRO 27 -3.250 10.906 -13.766 95 1HD PRO 27 HD2 PRO 27 -0.538 9.649 -13.939 96 2HD PRO 27 HD1 PRO 27 -1.200 10.739 -12.703 97 H ASP 28 HN ASP 28 -0.812 6.850 -13.389 98 HA ASP 28 HA ASP 28 -1.361 4.690 -15.011 99 1HB ASP 28 HB2 ASP 28 0.548 4.746 -12.663 100 2HB ASP 28 HB1 ASP 28 0.588 3.591 -13.991 101 H CYS 29 HN CYS 29 -1.462 4.728 -11.436 102 HA CYS 29 HA CYS 29 -2.607 2.093 -11.323 103 1HB CYS 29 HB2 CYS 29 -2.736 2.479 -8.896 104 2HB CYS 29 HB1 CYS 29 -1.138 2.850 -9.533 105 H ASP 30 HN ASP 30 -3.832 5.387 -11.252 106 HA ASP 30 HA ASP 30 -6.404 4.862 -10.235 107 1HB ASP 30 HB2 ASP 30 -5.500 7.014 -12.160 108 2HB ASP 30 HB1 ASP 30 -7.058 6.990 -11.343 109 H GLU 31 HN GLU 31 -5.026 4.454 -13.423 110 HA GLU 31 HA GLU 31 -7.343 4.286 -14.970 111 1HB GLU 31 HB2 GLU 31 -5.068 4.407 -15.899 112 2HB GLU 31 HB1 GLU 31 -4.747 2.780 -15.318 113 1HG GLU 31 HG2 GLU 31 -6.487 1.906 -16.793 114 2HG GLU 31 HG1 GLU 31 -6.813 3.538 -17.372 115 H LEU 32 HN LEU 32 -6.093 2.085 -12.615 116 HA LEU 32 HA LEU 32 -7.028 -0.376 -13.457 117 1HB LEU 32 HB2 LEU 32 -5.646 0.043 -11.442 118 2HB LEU 32 HB1 LEU 32 -7.058 0.699 -10.637 119 HG LEU 32 HG LEU 32 -8.161 -1.531 -10.886 120 1HD1 LEU 32 HD11 LEU 32 -7.177 -2.715 -12.562 121 2HD1 LEU 32 HD12 LEU 32 -6.288 -3.375 -11.190 122 3HD1 LEU 32 HD13 LEU 32 -5.560 -2.118 -12.190 123 1HD2 LEU 32 HD21 LEU 32 -6.613 -0.641 -8.930 124 2HD2 LEU 32 HD22 LEU 32 -5.625 -2.016 -9.425 125 3HD2 LEU 32 HD23 LEU 32 -7.295 -2.267 -8.916 126 H ALA 33 HN ALA 33 -8.813 2.253 -11.894 127 HA ALA 33 HA ALA 33 -11.192 0.924 -11.311 128 1HB ALA 33 HB1 ALA 33 -10.675 3.153 -10.479 129 2HB ALA 33 HB2 ALA 33 -12.240 3.128 -11.293 130 3HB ALA 33 HB3 ALA 33 -10.832 3.806 -12.110 131 H ASP 34 HN ASP 34 -9.926 1.865 -14.380 132 HA ASP 34 HA ASP 34 -12.152 2.286 -15.934 133 1HB ASP 34 HB2 ASP 34 -9.812 2.493 -16.713 134 2HB ASP 34 HB1 ASP 34 -9.675 0.739 -16.729 135 H HIS 35 HN HIS 35 -10.727 -0.885 -15.061 136 HA HIS 35 HA HIS 35 -13.216 -2.100 -16.058 137 1HB HIS 35 HB2 HIS 35 -11.952 -4.131 -16.605 138 2HB HIS 35 HB1 HIS 35 -11.380 -2.728 -17.493 139 HD1 HIS 35 HD1 HIS 35 -9.398 -4.783 -17.581 140 HD2 HIS 35 HD2 HIS 35 -9.692 -2.365 -14.219 141 HE1 HIS 35 HE1 HIS 35 -7.170 -4.953 -16.432 142 HE2 HIS 35 HE2 HIS 35 -7.402 -3.552 -14.354 143 H ILE 36 HN ILE 36 -11.209 -1.789 -13.248 144 HA ILE 36 HA ILE 36 -13.032 -3.618 -11.884 145 HB ILE 36 HB ILE 36 -11.237 -4.714 -10.618 146 1HG1 ILE 36 HG12 ILE 36 -9.394 -3.278 -12.542 147 2HG1 ILE 36 HG11 ILE 36 -9.460 -3.067 -10.797 148 1HG2 ILE 36 HG21 ILE 36 -10.641 -6.286 -12.290 149 2HG2 ILE 36 HG22 ILE 36 -10.817 -5.086 -13.571 150 3HG2 ILE 36 HG23 ILE 36 -12.239 -5.666 -12.705 151 1HD1 ILE 36 HD11 ILE 36 -8.048 -5.037 -12.373 152 2HD1 ILE 36 HD12 ILE 36 -9.015 -5.765 -11.090 153 3HD1 ILE 36 HD13 ILE 36 -7.811 -4.538 -10.699 154 H GLY 37 HN GLY 37 -10.219 -1.478 -11.222 155 1HA GLY 37 HA2 GLY 37 -9.927 0.149 -9.637 156 2HA GLY 37 HA1 GLY 37 -11.675 0.298 -9.610 157 H PHE 38 HN PHE 38 -9.224 -2.065 -8.496 158 HA PHE 38 HA PHE 38 -10.718 -2.263 -5.965 159 1HB PHE 38 HB2 PHE 38 -8.975 -4.267 -7.393 160 2HB PHE 38 HB1 PHE 38 -9.441 -4.459 -5.708 161 HD1 PHE 38 HD1 PHE 38 -11.130 -3.611 -8.931 162 HD2 PHE 38 HD2 PHE 38 -11.177 -5.888 -5.342 163 HE1 PHE 38 HE1 PHE 38 -13.233 -4.670 -9.638 164 HE2 PHE 38 HE2 PHE 38 -13.282 -6.955 -6.040 165 HZ PHE 38 HZ PHE 38 -14.313 -6.346 -8.192 166 H GLN 39 HN GLN 39 -8.357 -0.450 -6.965 167 HA GLN 39 HA GLN 39 -6.528 0.546 -6.079 168 1HB GLN 39 HB2 GLN 39 -7.588 -0.627 -3.502 169 2HB GLN 39 HB1 GLN 39 -6.359 0.626 -3.617 170 1HG GLN 39 HG2 GLN 39 -7.998 2.084 -4.743 171 2HG GLN 39 HG1 GLN 39 -9.223 0.838 -4.516 172 1HE2 GLN 39 HE21 GLN 39 -8.156 3.665 -3.333 173 2HE2 GLN 39 HE22 GLN 39 -8.658 3.519 -1.687 174 H GLU 40 HN GLU 40 -6.394 -2.336 -6.952 175 HA GLU 40 HA GLU 40 -4.304 -3.471 -5.301 176 1HB GLU 40 HB2 GLU 40 -4.343 -5.334 -6.904 177 2HB GLU 40 HB1 GLU 40 -5.950 -4.967 -6.295 178 1HG GLU 40 HG2 GLU 40 -6.462 -3.765 -8.354 179 2HG GLU 40 HG1 GLU 40 -4.848 -4.115 -8.965 180 H ALA 41 HN ALA 41 -4.455 -1.249 -7.849 181 HA ALA 41 HA ALA 41 -1.994 -1.935 -9.144 182 1HB ALA 41 HB1 ALA 41 -2.275 0.227 -10.300 183 2HB ALA 41 HB2 ALA 41 -3.665 0.569 -9.270 184 3HB ALA 41 HB3 ALA 41 -3.712 -0.791 -10.392 185 H TYR 42 HN TYR 42 -2.841 -0.171 -6.304 186 HA TYR 42 HA TYR 42 -0.732 1.671 -6.165 187 1HB TYR 42 HB2 TYR 42 -2.700 1.769 -4.702 188 2HB TYR 42 HB1 TYR 42 -2.190 0.286 -3.906 189 HD1 TYR 42 HD1 TYR 42 0.240 0.380 -2.861 190 HD2 TYR 42 HD2 TYR 42 -2.144 3.791 -3.734 191 HE1 TYR 42 HE1 TYR 42 1.543 1.693 -1.247 192 HE2 TYR 42 HE2 TYR 42 -0.844 5.116 -2.125 193 HH TYR 42 HH TYR 42 0.717 4.202 0.175 194 H ARG 43 HN ARG 43 -0.962 -1.664 -4.938 195 HA ARG 43 HA ARG 43 1.603 -1.711 -3.753 196 1HB ARG 43 HB2 ARG 43 1.336 -4.144 -3.678 197 2HB ARG 43 HB1 ARG 43 -0.107 -3.316 -3.122 198 1HG ARG 43 HG2 ARG 43 -1.174 -3.718 -5.279 199 2HG ARG 43 HG1 ARG 43 0.276 -4.553 -5.840 200 1HD ARG 43 HD2 ARG 43 -1.449 -5.375 -3.505 201 2HD ARG 43 HD1 ARG 43 -1.451 -6.125 -5.100 202 HE ARG 43 HE ARG 43 1.162 -6.202 -4.121 203 1HH1 ARG 43 HH11 ARG 43 -1.965 -7.580 -3.359 204 2HH1 ARG 43 HH12 ARG 43 -1.298 -9.016 -2.660 205 1HH2 ARG 43 HH21 ARG 43 2.035 -8.095 -3.199 206 2HH2 ARG 43 HH22 ARG 43 0.973 -9.309 -2.569 207 H ARG 44 HN ARG 44 0.597 -2.022 -7.046 208 HA ARG 44 HA ARG 44 2.644 -3.582 -8.117 209 1HB ARG 44 HB2 ARG 44 1.223 -1.235 -9.388 210 2HB ARG 44 HB1 ARG 44 2.175 -2.435 -10.251 211 1HG ARG 44 HG2 ARG 44 0.621 -4.178 -9.604 212 2HG ARG 44 HG1 ARG 44 -0.314 -3.017 -8.660 213 1HD ARG 44 HD2 ARG 44 -0.767 -1.746 -10.721 214 2HD ARG 44 HD1 ARG 44 0.115 -2.962 -11.645 215 HE ARG 44 HE ARG 44 -1.868 -4.279 -10.196 216 1HH1 ARG 44 HH11 ARG 44 -1.658 -1.935 -12.789 217 2HH1 ARG 44 HH12 ARG 44 -3.149 -2.428 -13.519 218 1HH2 ARG 44 HH21 ARG 44 -3.829 -4.922 -11.160 219 2HH2 ARG 44 HH22 ARG 44 -4.381 -4.125 -12.595 220 H PHE 45 HN PHE 45 2.622 -0.177 -7.203 221 HA PHE 45 HA PHE 45 5.464 -0.039 -7.944 222 1HB PHE 45 HB2 PHE 45 5.190 2.428 -8.095 223 2HB PHE 45 HB1 PHE 45 4.252 1.539 -9.283 224 HD1 PHE 45 HD1 PHE 45 1.755 1.021 -8.508 225 HD2 PHE 45 HD2 PHE 45 4.188 4.171 -7.006 226 HE1 PHE 45 HE1 PHE 45 -0.261 2.250 -7.829 227 HE2 PHE 45 HE2 PHE 45 2.172 5.404 -6.321 228 HZ PHE 45 HZ PHE 45 -0.055 4.443 -6.733 229 H TYR 46 HN TYR 46 4.146 -0.966 -5.407 230 HA TYR 46 HA TYR 46 5.794 0.636 -3.599 231 1HB TYR 46 HB2 TYR 46 2.859 0.177 -3.352 232 2HB TYR 46 HB1 TYR 46 3.822 0.130 -1.879 233 HD1 TYR 46 HD1 TYR 46 3.242 2.285 -4.879 234 HD2 TYR 46 HD2 TYR 46 4.240 2.095 -0.748 235 HE1 TYR 46 HE1 TYR 46 3.205 4.740 -4.759 236 HE2 TYR 46 HE2 TYR 46 4.200 4.548 -0.618 237 HH TYR 46 HH TYR 46 4.547 6.512 -2.829 238 H GLY 47 HN GLY 47 3.532 -2.123 -3.324 239 1HA GLY 47 HA2 GLY 47 4.876 -4.333 -3.310 240 2HA GLY 47 HA1 GLY 47 5.642 -3.600 -1.910 241 HA PRO 48 HA PRO 48 2.371 -5.296 0.528 242 1HB PRO 48 HB2 PRO 48 2.489 -3.787 2.739 243 2HB PRO 48 HB1 PRO 48 3.821 -4.855 2.278 244 1HG PRO 48 HG2 PRO 48 3.558 -1.896 1.939 245 2HG PRO 48 HG1 PRO 48 4.975 -2.848 2.417 246 1HD PRO 48 HD2 PRO 48 4.511 -1.889 -0.133 247 2HD PRO 48 HD1 PRO 48 5.564 -3.262 0.253 248 H VAL 49 HN VAL 49 0.732 -4.552 -1.072 249 HA VAL 49 HA VAL 49 -1.373 -3.775 -1.447 250 HB VAL 49 HB VAL 49 -1.191 -2.431 1.256 251 1HG1 VAL 49 HG11 VAL 49 -3.424 -2.843 -0.695 252 2HG1 VAL 49 HG12 VAL 49 -2.955 -1.381 0.173 253 3HG1 VAL 49 HG13 VAL 49 -3.751 -2.699 1.032 254 1HG2 VAL 49 HG21 VAL 49 -0.898 -4.907 1.310 255 2HG2 VAL 49 HG22 VAL 49 -2.485 -5.063 0.557 256 3HG2 VAL 49 HG23 VAL 49 -2.336 -4.336 2.157 Start of MODEL 12 1 H LEU 16 HN LEU 16 2.101 -5.823 3.146 2 HA LEU 16 HA LEU 16 1.567 -4.494 0.607 3 1HB LEU 16 HB2 LEU 16 -0.587 -5.461 1.413 4 2HB LEU 16 HB1 LEU 16 -0.439 -4.502 2.869 5 HG LEU 16 HG LEU 16 -2.018 -3.559 1.202 6 1HD1 LEU 16 HD11 LEU 16 -0.660 -2.188 2.881 7 2HD1 LEU 16 HD12 LEU 16 -1.419 -1.332 1.539 8 3HD1 LEU 16 HD13 LEU 16 0.306 -1.691 1.493 9 1HD2 LEU 16 HD21 LEU 16 -0.615 -4.307 -0.767 10 2HD2 LEU 16 HD22 LEU 16 0.399 -2.900 -0.455 11 3HD2 LEU 16 HD23 LEU 16 -1.303 -2.687 -0.864 12 1HN CGU 17 HN CGU 17 0.893 -3.690 4.023 13 HA CGU 17 HA CGU 17 1.646 -2.054 5.395 14 1HB CGU 17 HB1 CGU 17 4.027 -1.070 4.427 15 2HB CGU 17 HB2 CGU 17 3.991 -2.701 3.750 16 HG CGU 17 HG2 CGU 17 3.592 -1.997 6.670 17 HA PRO 18 HA PRO 18 -0.097 1.548 3.469 18 1HB PRO 18 HB2 PRO 18 0.445 3.310 5.514 19 2HB PRO 18 HB1 PRO 18 -0.932 2.204 5.488 20 1HG PRO 18 HG2 PRO 18 1.708 1.911 6.863 21 2HG PRO 18 HG1 PRO 18 0.085 1.512 7.456 22 1HD PRO 18 HD2 PRO 18 1.756 -0.383 6.555 23 2HD PRO 18 HD1 PRO 18 0.006 -0.478 6.270 24 H LYS 19 HN LYS 19 1.155 2.143 1.767 25 HA LYS 19 HA LYS 19 3.354 3.999 2.328 26 1HB LYS 19 HB2 LYS 19 4.741 2.969 0.571 27 2HB LYS 19 HB1 LYS 19 4.428 1.861 1.900 28 1HG LYS 19 HG2 LYS 19 2.727 0.730 0.585 29 2HG LYS 19 HG1 LYS 19 2.979 1.864 -0.742 30 1HD LYS 19 HD2 LYS 19 4.152 -0.195 -1.205 31 2HD LYS 19 HD1 LYS 19 5.322 1.091 -0.908 32 1HE LYS 19 HE2 LYS 19 5.617 0.291 1.385 33 2HE LYS 19 HE1 LYS 19 4.440 -0.989 1.093 34 1HZ LYS 19 HZ1 LYS 19 5.904 -1.903 -0.596 35 2HZ LYS 19 HZ2 LYS 19 6.705 -1.801 0.890 36 3HZ LYS 19 HZ3 LYS 19 7.031 -0.670 -0.325 37 H ARG 20 HN ARG 20 0.525 4.252 1.358 38 HA ARG 20 HA ARG 20 0.940 5.228 -1.367 39 1HB ARG 20 HB2 ARG 20 -1.500 4.589 0.255 40 2HB ARG 20 HB1 ARG 20 -1.626 5.630 -1.155 41 1HG ARG 20 HG2 ARG 20 -2.166 3.362 -1.752 42 2HG ARG 20 HG1 ARG 20 -0.667 3.849 -2.541 43 1HD ARG 20 HD2 ARG 20 0.606 2.677 -0.790 44 2HD ARG 20 HD1 ARG 20 -0.911 2.152 -0.059 45 HE ARG 20 HE ARG 20 -0.906 1.358 -2.741 46 1HH1 ARG 20 HH11 ARG 20 0.763 0.625 0.243 47 2HH1 ARG 20 HH12 ARG 20 1.158 -0.991 -0.230 48 1HH2 ARG 20 HH21 ARG 20 -0.394 -0.774 -3.359 49 2HH2 ARG 20 HH22 ARG 20 0.500 -1.787 -2.277 50 1HN CGU 21 HN CGU 21 2.137 6.668 0.836 51 HA CGU 21 HA CGU 21 0.605 8.959 1.508 52 1HB CGU 21 HB1 CGU 21 3.595 8.466 1.506 53 2HB CGU 21 HB2 CGU 21 2.855 9.951 2.111 54 HG CGU 21 HG2 CGU 21 2.260 7.157 3.121 55 H VAL 22 HN VAL 22 2.880 8.206 -1.077 56 HA VAL 22 HA VAL 22 2.608 10.858 -2.253 57 HB VAL 22 HB VAL 22 4.140 8.461 -3.280 58 1HG1 VAL 22 HG11 VAL 22 5.375 10.199 -4.586 59 2HG1 VAL 22 HG12 VAL 22 4.149 11.364 -4.084 60 3HG1 VAL 22 HG13 VAL 22 3.695 9.973 -5.070 61 1HG2 VAL 22 HG21 VAL 22 5.066 9.075 -1.165 62 2HG2 VAL 22 HG22 VAL 22 5.032 10.788 -1.586 63 3HG2 VAL 22 HG23 VAL 22 6.137 9.696 -2.422 64 H CYS 23 HN CYS 23 1.640 7.512 -2.856 65 HA CYS 23 HA CYS 23 0.622 7.857 -5.449 66 1HB CYS 23 HB2 CYS 23 1.054 5.649 -4.399 67 2HB CYS 23 HB1 CYS 23 -0.345 5.899 -3.358 68 1HN CGU 24 HN CGU 24 -0.772 8.557 -2.302 69 HA CGU 24 HA CGU 24 -3.470 8.720 -2.938 70 1HB CGU 24 HB1 CGU 24 -2.754 10.910 -1.197 71 2HB CGU 24 HB2 CGU 24 -1.844 9.466 -0.749 72 HG CGU 24 HG2 CGU 24 -4.848 9.612 -1.117 73 H LEU 25 HN LEU 25 -0.876 11.044 -3.506 74 HA LEU 25 HA LEU 25 -2.483 13.200 -4.372 75 1HB LEU 25 HB2 LEU 25 -0.116 13.411 -3.693 76 2HB LEU 25 HB1 LEU 25 0.366 12.515 -5.118 77 HG LEU 25 HG LEU 25 0.705 14.977 -5.288 78 1HD1 LEU 25 HD11 LEU 25 -0.004 13.247 -7.214 79 2HD1 LEU 25 HD12 LEU 25 0.368 14.944 -7.515 80 3HD1 LEU 25 HD13 LEU 25 -1.310 14.422 -7.367 81 1HD2 LEU 25 HD21 LEU 25 -2.282 15.185 -5.528 82 2HD2 LEU 25 HD22 LEU 25 -1.093 16.485 -5.437 83 3HD2 LEU 25 HD23 LEU 25 -1.428 15.496 -4.016 84 H ASN 26 HN ASN 26 -0.920 10.525 -6.103 85 HA ASN 26 HA ASN 26 -2.269 11.351 -8.573 86 1HB ASN 26 HB2 ASN 26 -0.742 9.616 -9.637 87 2HB ASN 26 HB1 ASN 26 0.041 11.045 -8.978 88 1HD2 ASN 26 HD21 ASN 26 1.696 10.749 -7.649 89 2HD2 ASN 26 HD22 ASN 26 2.112 9.262 -6.874 90 HA PRO 27 HA PRO 27 -5.277 8.205 -7.128 91 1HB PRO 27 HB2 PRO 27 -6.995 8.842 -9.237 92 2HB PRO 27 HB1 PRO 27 -7.060 9.516 -7.607 93 1HG PRO 27 HG2 PRO 27 -5.839 10.651 -10.082 94 2HG PRO 27 HG1 PRO 27 -6.707 11.477 -8.775 95 1HD PRO 27 HD2 PRO 27 -4.046 11.600 -8.958 96 2HD PRO 27 HD1 PRO 27 -4.849 11.479 -7.378 97 H ASP 28 HN ASP 28 -4.439 6.263 -7.608 98 HA ASP 28 HA ASP 28 -5.015 5.103 -10.173 99 1HB ASP 28 HB2 ASP 28 -2.802 6.230 -10.547 100 2HB ASP 28 HB1 ASP 28 -2.118 5.203 -9.295 101 H CYS 29 HN CYS 29 -2.930 4.570 -7.303 102 HA CYS 29 HA CYS 29 -3.534 1.778 -7.185 103 1HB CYS 29 HB2 CYS 29 -2.341 1.799 -5.042 104 2HB CYS 29 HB1 CYS 29 -1.426 2.651 -6.279 105 H ASP 30 HN ASP 30 -4.615 4.645 -5.397 106 HA ASP 30 HA ASP 30 -6.462 3.196 -3.745 107 1HB ASP 30 HB2 ASP 30 -5.401 5.397 -3.120 108 2HB ASP 30 HB1 ASP 30 -6.400 6.167 -4.343 109 H GLU 31 HN GLU 31 -6.575 5.032 -6.741 110 HA GLU 31 HA GLU 31 -9.365 5.114 -7.101 111 1HB GLU 31 HB2 GLU 31 -7.778 6.523 -8.347 112 2HB GLU 31 HB1 GLU 31 -7.161 5.099 -9.170 113 1HG GLU 31 HG2 GLU 31 -9.331 4.752 -10.220 114 2HG GLU 31 HG1 GLU 31 -9.970 6.162 -9.376 115 H LEU 32 HN LEU 32 -7.065 2.550 -7.463 116 HA LEU 32 HA LEU 32 -8.246 0.920 -9.377 117 1HB LEU 32 HB2 LEU 32 -6.032 0.552 -8.300 118 2HB LEU 32 HB1 LEU 32 -6.860 0.022 -6.849 119 HG LEU 32 HG LEU 32 -7.869 -1.840 -8.163 120 1HD1 LEU 32 HD11 LEU 32 -6.839 -2.394 -10.335 121 2HD1 LEU 32 HD12 LEU 32 -6.004 -0.841 -10.308 122 3HD1 LEU 32 HD13 LEU 32 -7.765 -0.893 -10.378 123 1HD2 LEU 32 HD21 LEU 32 -6.128 -3.183 -7.675 124 2HD2 LEU 32 HD22 LEU 32 -5.465 -1.716 -6.953 125 3HD2 LEU 32 HD23 LEU 32 -4.976 -2.199 -8.578 126 H ALA 33 HN ALA 33 -9.234 1.564 -6.088 127 HA ALA 33 HA ALA 33 -10.800 -0.627 -5.471 128 1HB ALA 33 HB1 ALA 33 -12.055 0.854 -3.992 129 2HB ALA 33 HB2 ALA 33 -11.363 2.257 -4.806 130 3HB ALA 33 HB3 ALA 33 -10.322 1.165 -3.893 131 H ASP 34 HN ASP 34 -11.389 1.805 -7.862 132 HA ASP 34 HA ASP 34 -14.071 1.989 -8.158 133 1HB ASP 34 HB2 ASP 34 -12.399 3.067 -9.631 134 2HB ASP 34 HB1 ASP 34 -12.110 1.520 -10.416 135 H HIS 35 HN HIS 35 -12.091 -0.744 -9.353 136 HA HIS 35 HA HIS 35 -14.591 -2.280 -9.548 137 1HB HIS 35 HB2 HIS 35 -13.678 -3.506 -11.466 138 2HB HIS 35 HB1 HIS 35 -13.833 -1.786 -11.789 139 HD1 HIS 35 HD1 HIS 35 -12.066 -3.000 -13.694 140 HD2 HIS 35 HD2 HIS 35 -10.640 -1.939 -9.942 141 HE1 HIS 35 HE1 HIS 35 -9.575 -2.804 -13.952 142 HE2 HIS 35 HE2 HIS 35 -8.726 -2.287 -11.640 143 H ILE 36 HN ILE 36 -11.384 -2.244 -8.236 144 HA ILE 36 HA ILE 36 -11.927 -4.869 -7.091 145 HB ILE 36 HB ILE 36 -9.647 -5.701 -7.500 146 1HG1 ILE 36 HG12 ILE 36 -9.401 -3.253 -9.260 147 2HG1 ILE 36 HG11 ILE 36 -8.426 -3.644 -7.851 148 1HG2 ILE 36 HG21 ILE 36 -10.032 -6.452 -9.714 149 2HG2 ILE 36 HG22 ILE 36 -11.007 -5.033 -10.096 150 3HG2 ILE 36 HG23 ILE 36 -11.612 -6.239 -8.960 151 1HD1 ILE 36 HD11 ILE 36 -7.004 -4.264 -9.504 152 2HD1 ILE 36 HD12 ILE 36 -8.302 -4.735 -10.601 153 3HD1 ILE 36 HD13 ILE 36 -7.856 -5.788 -9.258 154 H GLY 37 HN GLY 37 -9.392 -2.319 -7.108 155 1HA GLY 37 HA2 GLY 37 -8.277 -1.301 -5.387 156 2HA GLY 37 HA1 GLY 37 -9.748 -1.539 -4.461 157 H PHE 38 HN PHE 38 -6.825 -3.290 -5.534 158 HA PHE 38 HA PHE 38 -6.872 -4.706 -2.952 159 1HB PHE 38 HB2 PHE 38 -5.968 -5.682 -5.659 160 2HB PHE 38 HB1 PHE 38 -5.499 -6.484 -4.166 161 HD1 PHE 38 HD1 PHE 38 -8.617 -5.195 -5.769 162 HD2 PHE 38 HD2 PHE 38 -6.733 -8.304 -3.565 163 HE1 PHE 38 HE1 PHE 38 -10.710 -6.485 -5.811 164 HE2 PHE 38 HE2 PHE 38 -8.822 -9.604 -3.602 165 HZ PHE 38 HZ PHE 38 -10.815 -8.694 -4.727 166 H GLN 39 HN GLN 39 -4.219 -4.787 -5.259 167 HA GLN 39 HA GLN 39 -2.645 -2.727 -4.157 168 1HB GLN 39 HB2 GLN 39 -0.999 -4.081 -2.907 169 2HB GLN 39 HB1 GLN 39 -2.588 -4.111 -2.158 170 1HG GLN 39 HG2 GLN 39 -3.014 -6.309 -3.094 171 2HG GLN 39 HG1 GLN 39 -1.455 -6.279 -3.915 172 1HE2 GLN 39 HE21 GLN 39 0.078 -7.380 -2.935 173 2HE2 GLN 39 HE22 GLN 39 0.201 -7.672 -1.237 174 H GLU 40 HN GLU 40 -3.255 -3.649 -6.736 175 HA GLU 40 HA GLU 40 -0.700 -4.764 -7.679 176 1HB GLU 40 HB2 GLU 40 -1.927 -5.391 -9.734 177 2HB GLU 40 HB1 GLU 40 -2.584 -6.147 -8.290 178 1HG GLU 40 HG2 GLU 40 -4.398 -4.533 -8.242 179 2HG GLU 40 HG1 GLU 40 -3.727 -3.716 -9.652 180 H ALA 41 HN ALA 41 -3.051 -2.175 -8.222 181 HA ALA 41 HA ALA 41 -1.922 -0.977 -10.463 182 1HB ALA 41 HB1 ALA 41 -3.610 0.028 -8.217 183 2HB ALA 41 HB2 ALA 41 -3.994 -0.130 -9.931 184 3HB ALA 41 HB3 ALA 41 -2.939 1.172 -9.381 185 H TYR 42 HN TYR 42 -1.383 -0.117 -7.041 186 HA TYR 42 HA TYR 42 0.475 1.879 -7.302 187 1HB TYR 42 HB2 TYR 42 -0.492 1.198 -5.163 188 2HB TYR 42 HB1 TYR 42 0.411 -0.308 -5.216 189 HD1 TYR 42 HD1 TYR 42 2.985 -0.131 -5.206 190 HD2 TYR 42 HD2 TYR 42 0.411 3.080 -4.126 191 HE1 TYR 42 HE1 TYR 42 4.836 0.939 -3.995 192 HE2 TYR 42 HE2 TYR 42 2.255 4.160 -2.912 193 HH TYR 42 HH TYR 42 4.538 3.146 -1.752 194 H ARG 43 HN ARG 43 1.082 -1.609 -7.393 195 HA ARG 43 HA ARG 43 3.881 -1.534 -7.416 196 1HB ARG 43 HB2 ARG 43 2.057 -3.564 -8.712 197 2HB ARG 43 HB1 ARG 43 3.760 -3.801 -8.344 198 1HG ARG 43 HG2 ARG 43 3.275 -3.563 -5.957 199 2HG ARG 43 HG1 ARG 43 1.566 -3.340 -6.332 200 1HD ARG 43 HD2 ARG 43 1.935 -5.622 -5.663 201 2HD ARG 43 HD1 ARG 43 1.546 -5.580 -7.381 202 HE ARG 43 HE ARG 43 4.329 -5.511 -7.113 203 1HH1 ARG 43 HH11 ARG 43 1.676 -7.719 -6.529 204 2HH1 ARG 43 HH12 ARG 43 2.640 -9.136 -6.774 205 1HH2 ARG 43 HH21 ARG 43 5.595 -7.380 -7.433 206 2HH2 ARG 43 HH22 ARG 43 4.865 -8.944 -7.286 207 H ARG 44 HN ARG 44 1.562 -1.226 -10.061 208 HA ARG 44 HA ARG 44 3.287 -1.565 -12.222 209 1HB ARG 44 HB2 ARG 44 0.786 0.090 -11.951 210 2HB ARG 44 HB1 ARG 44 1.633 -0.118 -13.475 211 1HG ARG 44 HG2 ARG 44 1.300 -2.550 -13.303 212 2HG ARG 44 HG1 ARG 44 0.389 -2.297 -11.812 213 1HD ARG 44 HD2 ARG 44 -1.280 -1.025 -12.985 214 2HD ARG 44 HD1 ARG 44 -0.330 -1.065 -14.468 215 HE ARG 44 HE ARG 44 -1.260 -3.087 -14.924 216 1HH1 ARG 44 HH11 ARG 44 -1.510 -2.578 -11.470 217 2HH1 ARG 44 HH12 ARG 44 -2.370 -4.052 -11.195 218 1HH2 ARG 44 HH21 ARG 44 -2.398 -5.024 -14.551 219 2HH2 ARG 44 HH22 ARG 44 -2.875 -5.440 -12.939 220 H PHE 45 HN PHE 45 2.692 1.349 -10.286 221 HA PHE 45 HA PHE 45 4.729 2.700 -11.920 222 1HB PHE 45 HB2 PHE 45 3.705 4.856 -11.126 223 2HB PHE 45 HB1 PHE 45 2.714 3.895 -12.209 224 HD1 PHE 45 HD1 PHE 45 1.051 2.234 -10.935 225 HD2 PHE 45 HD2 PHE 45 2.702 5.798 -9.306 226 HE1 PHE 45 HE1 PHE 45 -0.808 2.359 -9.333 227 HE2 PHE 45 HE2 PHE 45 0.846 5.923 -7.697 228 HZ PHE 45 HZ PHE 45 -0.911 4.202 -7.712 229 H TYR 46 HN TYR 46 4.969 1.007 -9.375 230 HA TYR 46 HA TYR 46 6.872 2.806 -8.091 231 1HB TYR 46 HB2 TYR 46 4.569 1.501 -6.684 232 2HB TYR 46 HB1 TYR 46 6.083 1.753 -5.828 233 HD1 TYR 46 HD1 TYR 46 3.511 3.597 -7.807 234 HD2 TYR 46 HD2 TYR 46 6.493 3.779 -4.779 235 HE1 TYR 46 HE1 TYR 46 2.853 5.911 -7.298 236 HE2 TYR 46 HE2 TYR 46 5.838 6.090 -4.262 237 HH TYR 46 HH TYR 46 3.027 7.451 -5.160 238 H GLY 47 HN GLY 47 5.504 -0.464 -7.631 239 1HA GLY 47 HA2 GLY 47 6.946 -2.331 -8.458 240 2HA GLY 47 HA1 GLY 47 8.270 -1.502 -7.653 241 HA PRO 48 HA PRO 48 7.411 -3.696 -3.926 242 1HB PRO 48 HB2 PRO 48 7.775 -1.862 -1.967 243 2HB PRO 48 HB1 PRO 48 9.112 -2.512 -2.923 244 1HG PRO 48 HG2 PRO 48 7.658 0.088 -3.220 245 2HG PRO 48 HG1 PRO 48 9.398 -0.241 -3.325 246 1HD PRO 48 HD2 PRO 48 7.812 0.062 -5.511 247 2HD PRO 48 HD1 PRO 48 9.255 -0.971 -5.500 248 H VAL 49 HN VAL 49 5.370 -4.380 -3.623 249 HA VAL 49 HA VAL 49 3.110 -2.689 -3.475 250 HB VAL 49 HB VAL 49 2.958 -5.029 -4.205 251 1HG1 VAL 49 HG11 VAL 49 3.283 -5.809 -1.316 252 2HG1 VAL 49 HG12 VAL 49 4.570 -5.928 -2.516 253 3HG1 VAL 49 HG13 VAL 49 3.095 -6.876 -2.707 254 1HG2 VAL 49 HG21 VAL 49 1.049 -3.672 -3.088 255 2HG2 VAL 49 HG22 VAL 49 1.238 -4.829 -1.771 256 3HG2 VAL 49 HG23 VAL 49 0.830 -5.395 -3.390 Start of MODEL 13 1 H LEU 16 HN LEU 16 8.104 -1.373 -0.434 2 HA LEU 16 HA LEU 16 7.364 -0.789 -3.059 3 1HB LEU 16 HB2 LEU 16 5.942 -1.890 -1.340 4 2HB LEU 16 HB1 LEU 16 5.748 -0.342 -0.546 5 HG LEU 16 HG LEU 16 3.809 -1.084 -1.958 6 1HD1 LEU 16 HD11 LEU 16 3.227 1.056 -2.405 7 2HD1 LEU 16 HD12 LEU 16 4.768 1.436 -3.171 8 3HD1 LEU 16 HD13 LEU 16 4.648 1.376 -1.412 9 1HD2 LEU 16 HD21 LEU 16 5.108 -2.062 -3.794 10 2HD2 LEU 16 HD22 LEU 16 5.680 -0.453 -4.236 11 3HD2 LEU 16 HD23 LEU 16 3.966 -0.846 -4.367 12 1HN CGU 17 HN CGU 17 7.577 1.352 -0.221 13 HA CGU 17 HA CGU 17 7.850 3.599 -0.023 14 1HB CGU 17 HB1 CGU 17 8.201 4.587 -2.637 15 2HB CGU 17 HB2 CGU 17 8.969 2.998 -2.622 16 HG CGU 17 HG2 CGU 17 9.476 5.212 -0.617 17 HA PRO 18 HA PRO 18 3.795 5.211 -0.756 18 1HB PRO 18 HB2 PRO 18 4.255 7.869 -0.340 19 2HB PRO 18 HB1 PRO 18 4.147 6.686 0.967 20 1HG PRO 18 HG2 PRO 18 6.577 7.849 -0.338 21 2HG PRO 18 HG1 PRO 18 6.263 7.553 1.383 22 1HD PRO 18 HD2 PRO 18 7.783 5.896 -0.107 23 2HD PRO 18 HD1 PRO 18 6.759 5.304 1.216 24 H LYS 19 HN LYS 19 3.846 4.645 -3.024 25 HA LYS 19 HA LYS 19 4.433 6.908 -4.809 26 1HB LYS 19 HB2 LYS 19 4.470 5.133 -6.624 27 2HB LYS 19 HB1 LYS 19 5.796 5.114 -5.474 28 1HG LYS 19 HG2 LYS 19 5.091 2.863 -5.923 29 2HG LYS 19 HG1 LYS 19 4.683 3.275 -4.262 30 1HD LYS 19 HD2 LYS 19 2.370 3.654 -4.905 31 2HD LYS 19 HD1 LYS 19 2.766 3.325 -6.592 32 1HE LYS 19 HE2 LYS 19 3.380 1.044 -6.015 33 2HE LYS 19 HE1 LYS 19 3.058 1.371 -4.315 34 1HZ LYS 19 HZ1 LYS 19 0.745 1.710 -4.821 35 2HZ LYS 19 HZ2 LYS 19 1.227 0.206 -5.419 36 3HZ LYS 19 HZ3 LYS 19 1.028 1.507 -6.475 37 H ARG 20 HN ARG 20 1.849 5.164 -3.468 38 HA ARG 20 HA ARG 20 0.089 5.648 -5.743 39 1HB ARG 20 HB2 ARG 20 0.049 3.494 -4.412 40 2HB ARG 20 HB1 ARG 20 -0.643 4.415 -3.086 41 1HG ARG 20 HG2 ARG 20 -2.587 4.940 -4.384 42 2HG ARG 20 HG1 ARG 20 -1.871 4.222 -5.826 43 1HD ARG 20 HD2 ARG 20 -3.479 2.696 -4.875 44 2HD ARG 20 HD1 ARG 20 -1.856 2.034 -4.696 45 HE ARG 20 HE ARG 20 -2.484 3.437 -2.362 46 1HH1 ARG 20 HH11 ARG 20 -3.524 0.567 -4.074 47 2HH1 ARG 20 HH12 ARG 20 -4.034 -0.255 -2.639 48 1HH2 ARG 20 HH21 ARG 20 -3.156 2.350 -0.472 49 2HH2 ARG 20 HH22 ARG 20 -3.826 0.758 -0.593 50 1HN CGU 21 HN CGU 21 1.190 7.929 -4.381 51 HA CGU 21 HA CGU 21 -0.814 9.053 -2.665 52 1HB CGU 21 HB1 CGU 21 1.568 10.305 -4.062 53 2HB CGU 21 HB2 CGU 21 0.530 11.156 -2.914 54 HG CGU 21 HG2 CGU 21 2.113 8.641 -2.322 55 H VAL 22 HN VAL 22 -0.033 9.161 -6.087 56 HA VAL 22 HA VAL 22 -1.701 11.325 -6.812 57 HB VAL 22 HB VAL 22 -0.900 8.952 -8.510 58 1HG1 VAL 22 HG11 VAL 22 -2.579 9.990 -9.716 59 2HG1 VAL 22 HG12 VAL 22 -1.132 10.791 -10.325 60 3HG1 VAL 22 HG13 VAL 22 -2.150 11.598 -9.131 61 1HG2 VAL 22 HG21 VAL 22 1.096 9.953 -7.693 62 2HG2 VAL 22 HG22 VAL 22 0.478 11.579 -7.986 63 3HG2 VAL 22 HG23 VAL 22 0.875 10.527 -9.346 64 H CYS 23 HN CYS 23 -2.245 7.822 -6.633 65 HA CYS 23 HA CYS 23 -4.774 7.648 -7.741 66 1HB CYS 23 HB2 CYS 23 -3.576 6.079 -5.454 67 2HB CYS 23 HB1 CYS 23 -5.078 5.645 -6.260 68 1HN CGU 24 HN CGU 24 -3.842 8.720 -4.516 69 HA CGU 24 HA CGU 24 -6.270 8.662 -3.194 70 1HB CGU 24 HB1 CGU 24 -5.413 10.516 -1.812 71 2HB CGU 24 HB2 CGU 24 -4.156 10.832 -3.011 72 HG CGU 24 HG2 CGU 24 -3.262 8.555 -2.656 73 H LEU 25 HN LEU 25 -5.151 10.874 -5.674 74 HA LEU 25 HA LEU 25 -7.434 12.636 -5.374 75 1HB LEU 25 HB2 LEU 25 -5.171 12.593 -7.374 76 2HB LEU 25 HB1 LEU 25 -6.454 13.787 -7.372 77 HG LEU 25 HG LEU 25 -4.498 14.739 -6.354 78 1HD1 LEU 25 HD11 LEU 25 -6.353 14.083 -4.086 79 2HD1 LEU 25 HD12 LEU 25 -6.798 15.181 -5.393 80 3HD1 LEU 25 HD13 LEU 25 -5.423 15.558 -4.354 81 1HD2 LEU 25 HD21 LEU 25 -4.551 12.680 -4.180 82 2HD2 LEU 25 HD22 LEU 25 -3.266 13.804 -4.620 83 3HD2 LEU 25 HD23 LEU 25 -3.621 12.422 -5.655 84 H ASN 26 HN ASN 26 -6.173 10.363 -7.827 85 HA ASN 26 HA ASN 26 -8.805 10.416 -9.130 86 1HB ASN 26 HB2 ASN 26 -7.711 9.424 -11.083 87 2HB ASN 26 HB1 ASN 26 -6.912 10.916 -10.605 88 1HD2 ASN 26 HD21 ASN 26 -6.405 7.836 -11.603 89 2HD2 ASN 26 HD22 ASN 26 -4.801 7.598 -11.008 90 HA PRO 27 HA PRO 27 -9.481 6.547 -6.903 91 1HB PRO 27 HB2 PRO 27 -11.990 6.654 -8.479 92 2HB PRO 27 HB1 PRO 27 -11.757 6.468 -6.738 93 1HG PRO 27 HG2 PRO 27 -12.625 8.771 -7.750 94 2HG PRO 27 HG1 PRO 27 -11.476 8.748 -6.399 95 1HD PRO 27 HD2 PRO 27 -10.972 9.257 -9.308 96 2HD PRO 27 HD1 PRO 27 -10.298 10.080 -7.886 97 H ASP 28 HN ASP 28 -9.279 7.062 -10.312 98 HA ASP 28 HA ASP 28 -10.038 4.698 -11.461 99 1HB ASP 28 HB2 ASP 28 -9.142 6.654 -12.694 100 2HB ASP 28 HB1 ASP 28 -7.525 6.251 -12.130 101 H CYS 29 HN CYS 29 -6.749 5.360 -10.208 102 HA CYS 29 HA CYS 29 -6.152 2.512 -10.256 103 1HB CYS 29 HB2 CYS 29 -3.867 3.229 -9.561 104 2HB CYS 29 HB1 CYS 29 -4.408 3.950 -11.071 105 H ASP 30 HN ASP 30 -7.049 4.963 -7.965 106 HA ASP 30 HA ASP 30 -6.089 3.717 -5.605 107 1HB ASP 30 HB2 ASP 30 -6.886 6.134 -5.939 108 2HB ASP 30 HB1 ASP 30 -8.515 5.501 -5.758 109 H GLU 31 HN GLU 31 -8.652 2.914 -7.713 110 HA GLU 31 HA GLU 31 -10.672 1.915 -6.180 111 1HB GLU 31 HB2 GLU 31 -10.668 1.940 -8.636 112 2HB GLU 31 HB1 GLU 31 -9.493 0.634 -8.648 113 1HG GLU 31 HG2 GLU 31 -11.643 -0.278 -9.116 114 2HG GLU 31 HG1 GLU 31 -11.157 -0.808 -7.507 115 H LEU 32 HN LEU 32 -7.467 0.528 -6.577 116 HA LEU 32 HA LEU 32 -7.926 -2.084 -5.727 117 1HB LEU 32 HB2 LEU 32 -5.784 -1.178 -6.642 118 2HB LEU 32 HB1 LEU 32 -5.497 -0.409 -5.093 119 HG LEU 32 HG LEU 32 -5.598 -2.723 -4.060 120 1HD1 LEU 32 HD11 LEU 32 -6.599 -4.133 -5.560 121 2HD1 LEU 32 HD12 LEU 32 -4.899 -4.475 -5.876 122 3HD1 LEU 32 HD13 LEU 32 -5.798 -3.405 -6.952 123 1HD2 LEU 32 HD21 LEU 32 -3.520 -1.320 -4.871 124 2HD2 LEU 32 HD22 LEU 32 -3.356 -2.654 -6.013 125 3HD2 LEU 32 HD23 LEU 32 -3.339 -2.970 -4.278 126 H ALA 33 HN ALA 33 -7.355 0.848 -3.810 127 HA ALA 33 HA ALA 33 -7.198 -0.394 -1.287 128 1HB ALA 33 HB1 ALA 33 -8.076 2.414 -1.928 129 2HB ALA 33 HB2 ALA 33 -6.408 1.881 -1.720 130 3HB ALA 33 HB3 ALA 33 -7.529 1.823 -0.359 131 H ASP 34 HN ASP 34 -9.900 0.053 -3.318 132 HA ASP 34 HA ASP 34 -11.921 0.408 -1.369 133 1HB ASP 34 HB2 ASP 34 -12.160 0.901 -3.810 134 2HB ASP 34 HB1 ASP 34 -12.190 -0.830 -4.115 135 H HIS 35 HN HIS 35 -10.722 -2.532 -3.039 136 HA HIS 35 HA HIS 35 -12.309 -4.110 -1.141 137 1HB HIS 35 HB2 HIS 35 -12.097 -5.989 -2.706 138 2HB HIS 35 HB1 HIS 35 -12.852 -4.584 -3.442 139 HD1 HIS 35 HD1 HIS 35 -11.956 -6.344 -5.496 140 HD2 HIS 35 HD2 HIS 35 -9.238 -3.804 -3.659 141 HE1 HIS 35 HE1 HIS 35 -10.034 -6.141 -7.102 142 HE2 HIS 35 HE2 HIS 35 -8.475 -4.481 -6.031 143 H ILE 36 HN ILE 36 -8.995 -3.357 -1.818 144 HA ILE 36 HA ILE 36 -8.261 -5.331 0.206 145 HB ILE 36 HB ILE 36 -6.276 -6.088 -1.022 146 1HG1 ILE 36 HG12 ILE 36 -7.471 -4.571 -3.351 147 2HG1 ILE 36 HG11 ILE 36 -5.949 -4.211 -2.547 148 1HG2 ILE 36 HG21 ILE 36 -7.390 -7.668 -2.393 149 2HG2 ILE 36 HG22 ILE 36 -8.763 -6.587 -2.635 150 3HG2 ILE 36 HG23 ILE 36 -8.468 -7.297 -1.048 151 1HD1 ILE 36 HD11 ILE 36 -4.970 -5.453 -4.089 152 2HD1 ILE 36 HD12 ILE 36 -6.515 -6.077 -4.666 153 3HD1 ILE 36 HD13 ILE 36 -5.700 -6.858 -3.311 154 H GLY 37 HN GLY 37 -6.814 -2.767 -1.855 155 1HA GLY 37 HA2 GLY 37 -5.428 -1.026 -1.310 156 2HA GLY 37 HA1 GLY 37 -6.097 -1.133 0.309 157 H PHE 38 HN PHE 38 -3.694 -2.666 -1.828 158 HA PHE 38 HA PHE 38 -2.023 -3.132 0.555 159 1HB PHE 38 HB2 PHE 38 -2.357 -4.800 -1.931 160 2HB PHE 38 HB1 PHE 38 -0.959 -4.974 -0.879 161 HD1 PHE 38 HD1 PHE 38 -4.668 -4.733 -0.484 162 HD2 PHE 38 HD2 PHE 38 -1.060 -6.711 0.590 163 HE1 PHE 38 HE1 PHE 38 -5.942 -6.264 0.956 164 HE2 PHE 38 HE2 PHE 38 -2.327 -8.249 2.033 165 HZ PHE 38 HZ PHE 38 -4.773 -8.027 2.217 166 H GLN 39 HN GLN 39 -2.159 -0.770 -1.290 167 HA GLN 39 HA GLN 39 -0.795 0.633 -2.460 168 1HB GLN 39 HB2 GLN 39 1.250 -0.682 -0.660 169 2HB GLN 39 HB1 GLN 39 1.510 0.809 -1.555 170 1HG GLN 39 HG2 GLN 39 -0.273 1.890 -0.299 171 2HG GLN 39 HG1 GLN 39 -0.566 0.392 0.584 172 1HE2 GLN 39 HE21 GLN 39 0.277 0.386 2.541 173 2HE2 GLN 39 HE22 GLN 39 1.727 1.187 3.031 174 H GLU 40 HN GLU 40 -1.360 -1.537 -3.995 175 HA GLU 40 HA GLU 40 1.154 -1.918 -5.465 176 1HB GLU 40 HB2 GLU 40 0.491 -4.251 -5.965 177 2HB GLU 40 HB1 GLU 40 0.794 -3.973 -4.257 178 1HG GLU 40 HG2 GLU 40 -1.628 -3.800 -3.875 179 2HG GLU 40 HG1 GLU 40 -1.904 -4.143 -5.582 180 H ALA 41 HN ALA 41 -1.539 -0.331 -5.715 181 HA ALA 41 HA ALA 41 -2.542 -1.326 -8.250 182 1HB ALA 41 HB1 ALA 41 -4.394 -0.170 -7.780 183 2HB ALA 41 HB2 ALA 41 -3.490 1.305 -7.439 184 3HB ALA 41 HB3 ALA 41 -3.692 0.084 -6.182 185 H TYR 42 HN TYR 42 -1.240 1.800 -7.118 186 HA TYR 42 HA TYR 42 -0.885 3.054 -9.541 187 1HB TYR 42 HB2 TYR 42 -0.589 4.126 -7.345 188 2HB TYR 42 HB1 TYR 42 0.901 3.231 -7.104 189 HD1 TYR 42 HD1 TYR 42 2.763 3.624 -8.906 190 HD2 TYR 42 HD2 TYR 42 -0.511 6.256 -8.233 191 HE1 TYR 42 HE1 TYR 42 4.025 5.453 -9.955 192 HE2 TYR 42 HE2 TYR 42 0.742 8.091 -9.281 193 HH TYR 42 HH TYR 42 3.121 7.826 -11.223 194 H ARG 43 HN ARG 43 0.961 0.414 -8.227 195 HA ARG 43 HA ARG 43 3.381 0.669 -9.581 196 1HB ARG 43 HB2 ARG 43 1.917 -1.900 -8.946 197 2HB ARG 43 HB1 ARG 43 3.637 -1.738 -9.272 198 1HG ARG 43 HG2 ARG 43 3.880 -0.375 -7.249 199 2HG ARG 43 HG1 ARG 43 2.160 -0.575 -6.922 200 1HD ARG 43 HD2 ARG 43 3.399 -2.145 -5.587 201 2HD ARG 43 HD1 ARG 43 2.502 -3.021 -6.825 202 HE ARG 43 HE ARG 43 5.067 -2.504 -7.810 203 1HH1 ARG 43 HH11 ARG 43 3.543 -4.399 -5.292 204 2HH1 ARG 43 HH12 ARG 43 4.767 -5.623 -5.302 205 1HH2 ARG 43 HH21 ARG 43 6.676 -4.120 -7.821 206 2HH2 ARG 43 HH22 ARG 43 6.546 -5.465 -6.738 207 H ARG 44 HN ARG 44 0.554 -1.281 -10.573 208 HA ARG 44 HA ARG 44 1.645 -1.732 -13.192 209 1HB ARG 44 HB2 ARG 44 -0.443 -2.942 -13.629 210 2HB ARG 44 HB1 ARG 44 0.305 -3.454 -12.124 211 1HG ARG 44 HG2 ARG 44 -1.276 -2.062 -10.873 212 2HG ARG 44 HG1 ARG 44 -2.032 -1.575 -12.388 213 1HD ARG 44 HD2 ARG 44 -1.867 -4.400 -11.344 214 2HD ARG 44 HD1 ARG 44 -3.280 -3.356 -11.236 215 HE ARG 44 HE ARG 44 -3.708 -3.723 -13.469 216 1HH1 ARG 44 HH11 ARG 44 -0.613 -5.150 -12.639 217 2HH1 ARG 44 HH12 ARG 44 -0.421 -5.915 -14.179 218 1HH2 ARG 44 HH21 ARG 44 -3.446 -4.743 -15.485 219 2HH2 ARG 44 HH22 ARG 44 -2.027 -5.688 -15.792 220 H PHE 45 HN PHE 45 -0.803 0.421 -11.830 221 HA PHE 45 HA PHE 45 -1.918 1.257 -14.288 222 1HB PHE 45 HB2 PHE 45 -1.863 2.518 -11.553 223 2HB PHE 45 HB1 PHE 45 -2.650 3.295 -12.921 224 HD1 PHE 45 HD1 PHE 45 -2.577 -0.070 -11.295 225 HD2 PHE 45 HD2 PHE 45 -4.909 2.985 -13.111 226 HE1 PHE 45 HE1 PHE 45 -4.608 -1.367 -10.843 227 HE2 PHE 45 HE2 PHE 45 -6.952 1.690 -12.666 228 HZ PHE 45 HZ PHE 45 -6.805 -0.490 -11.531 229 H TYR 46 HN TYR 46 0.852 2.433 -12.427 230 HA TYR 46 HA TYR 46 1.370 4.382 -14.577 231 1HB TYR 46 HB2 TYR 46 2.265 4.458 -11.689 232 2HB TYR 46 HB1 TYR 46 2.737 5.624 -12.918 233 HD1 TYR 46 HD1 TYR 46 -0.400 4.135 -11.515 234 HD2 TYR 46 HD2 TYR 46 1.571 7.610 -12.976 235 HE1 TYR 46 HE1 TYR 46 -2.392 5.473 -10.999 236 HE2 TYR 46 HE2 TYR 46 -0.417 8.960 -12.461 237 HH TYR 46 HH TYR 46 -3.076 8.308 -12.225 238 H GLY 47 HN GLY 47 3.322 2.681 -12.099 239 1HA GLY 47 HA2 GLY 47 4.790 0.895 -13.285 240 2HA GLY 47 HA1 GLY 47 5.405 2.303 -14.136 241 HA PRO 48 HA PRO 48 8.306 3.241 -10.956 242 1HB PRO 48 HB2 PRO 48 7.786 5.810 -10.166 243 2HB PRO 48 HB1 PRO 48 8.596 5.390 -11.679 244 1HG PRO 48 HG2 PRO 48 5.729 6.099 -11.198 245 2HG PRO 48 HG1 PRO 48 6.804 6.613 -12.511 246 1HD PRO 48 HD2 PRO 48 4.973 4.673 -12.851 247 2HD PRO 48 HD1 PRO 48 6.549 4.625 -13.667 248 H VAL 49 HN VAL 49 8.621 3.002 -8.784 249 HA VAL 49 HA VAL 49 6.358 3.476 -6.981 250 HB VAL 49 HB VAL 49 6.717 1.332 -5.838 251 1HG1 VAL 49 HG11 VAL 49 4.971 1.466 -7.506 252 2HG1 VAL 49 HG12 VAL 49 5.730 -0.125 -7.562 253 3HG1 VAL 49 HG13 VAL 49 6.125 1.083 -8.784 254 1HG2 VAL 49 HG21 VAL 49 8.019 -0.438 -7.097 255 2HG2 VAL 49 HG22 VAL 49 8.977 0.806 -6.296 256 3HG2 VAL 49 HG23 VAL 49 8.720 0.878 -8.039
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